Browse entries in the PDBbind-CN Database
HEADER 4B4N_COMPLEX COMPND 4B4N_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 86 PRO ILE VAL GLN ASN LEU GLN GLY GLN MET VAL HIS GLN SEQRES 2 A 86 ALA ILE SER PRO ARG THR LEU ASN ALA TRP VAL LYS VAL SEQRES 3 A 86 VAL GLU GLU LYS ALA PHE SER PRO GLU VAL ILE PRO MET SEQRES 4 A 86 PHE SER ALA LEU SER GLU GLY ALA THR PRO GLN ASP LEU SEQRES 5 A 86 ASN THR MET LEU ASN THR VAL GLY GLY HIS GLN ALA ALA SEQRES 6 A 86 MET GLN MET LEU LYS GLU THR ILE ASN GLU GLU ALA ALA SEQRES 7 A 86 GLU TRP ASP ARG LEU HIS PRO VAL SEQRES 1 A 50 ARG GLU PRO ARG GLY SER ASP ILE ALA GLY THR THR SER SEQRES 2 A 50 THR LEU GLN GLU GLN ILE GLY TRP MET THR HIS ASN PRO SEQRES 3 A 50 PRO ILE PRO VAL GLY GLU ILE TYR LYS ARG TRP ILE ILE SEQRES 4 A 50 LEU GLY LEU ASN LYS ILE VAL ARG MET TYR SER HET PRO A 236 222 ATOM 1 N PRO A 1 18.331 -0.363 -0.126 1.00 23.60 N ATOM 2 CA PRO A 1 19.496 -0.532 -0.970 1.00 21.89 C ATOM 3 C PRO A 1 20.646 -1.177 -0.222 1.00 22.60 C ATOM 4 O PRO A 1 20.584 -1.310 0.990 1.00 24.52 O ATOM 5 CB PRO A 1 19.843 0.922 -1.389 1.00 23.28 C ATOM 6 CG PRO A 1 19.086 1.789 -0.451 1.00 26.63 C ATOM 7 CD PRO A 1 17.840 1.028 -0.180 1.00 23.28 C ATOM 8 HA PRO A 1 19.309 -1.192 -1.817 1.00 0.00 H ATOM 9 HD3 PRO A 1 17.392 1.327 0.768 1.00 0.00 H ATOM 10 HD2 PRO A 1 17.113 1.160 -0.982 1.00 0.00 H ATOM 11 HG3 PRO A 1 18.860 2.751 -0.910 1.00 0.00 H ATOM 12 HG2 PRO A 1 19.649 1.950 0.468 1.00 0.00 H ATOM 13 HB2 PRO A 1 20.914 1.102 -1.296 1.00 0.00 H ATOM 14 HB3 PRO A 1 19.533 1.108 -2.417 1.00 0.00 H ATOM 15 N ILE A 2 21.655 -1.623 -0.976 1.00 21.46 N ATOM 16 CA ILE A 2 22.949 -2.054 -0.455 1.00 19.76 C ATOM 17 C ILE A 2 23.887 -0.876 -0.615 1.00 23.71 C ATOM 18 O ILE A 2 24.143 -0.399 -1.731 1.00 28.07 O ATOM 19 CB ILE A 2 23.513 -3.308 -1.115 1.00 22.05 C ATOM 20 CG1 ILE A 2 22.567 -4.493 -0.948 1.00 23.78 C ATOM 21 CG2 ILE A 2 24.885 -3.680 -0.526 1.00 26.55 C ATOM 22 CD1 ILE A 2 22.322 -4.883 0.454 1.00 33.44 C ATOM 23 HA ILE A 2 22.829 -2.346 0.588 1.00 0.00 H ATOM 24 HB ILE A 2 23.626 -3.083 -2.176 1.00 0.00 H ATOM 25 HG12 ILE A 2 21.611 -4.233 -1.402 1.00 0.00 H ATOM 26 HG13 ILE A 2 22.996 -5.348 -1.470 1.00 0.00 H ATOM 27 HD11 ILE A 2 23.266 -5.160 0.923 1.00 0.00 H ATOM 28 HD12 ILE A 2 21.880 -4.044 0.991 1.00 0.00 H ATOM 29 HD13 ILE A 2 21.639 -5.732 0.480 1.00 0.00 H ATOM 30 HG21 ILE A 2 25.583 -2.858 -0.687 1.00 0.00 H ATOM 31 HG22 ILE A 2 24.782 -3.866 0.543 1.00 0.00 H ATOM 32 HG23 ILE A 2 25.259 -4.578 -1.018 1.00 0.00 H ATOM 33 H ILE A 2 21.508 -1.666 -2.005 1.00 0.00 H ATOM 34 N VAL A 3 24.372 -0.395 0.516 1.00 22.70 N ATOM 35 CA VAL A 3 25.292 0.746 0.584 1.00 22.54 C ATOM 36 C VAL A 3 26.600 0.353 1.280 1.00 23.22 C ATOM 37 O VAL A 3 26.636 -0.581 2.090 1.00 26.95 O ATOM 38 CB VAL A 3 24.641 1.896 1.391 1.00 25.45 C ATOM 39 CG1 VAL A 3 23.323 2.294 0.740 1.00 29.09 C ATOM 40 CG2 VAL A 3 24.394 1.462 2.872 1.00 31.58 C ATOM 41 HA VAL A 3 25.505 1.066 -0.436 1.00 0.00 H ATOM 42 HB VAL A 3 25.319 2.749 1.392 1.00 0.00 H ATOM 43 HG11 VAL A 3 23.510 2.627 -0.281 1.00 0.00 H ATOM 44 HG12 VAL A 3 22.652 1.435 0.726 1.00 0.00 H ATOM 45 HG13 VAL A 3 22.867 3.103 1.310 1.00 0.00 H ATOM 46 HG21 VAL A 3 23.729 0.598 2.890 1.00 0.00 H ATOM 47 HG22 VAL A 3 25.345 1.200 3.336 1.00 0.00 H ATOM 48 HG23 VAL A 3 23.936 2.286 3.419 1.00 0.00 H ATOM 49 H VAL A 3 24.086 -0.850 1.406 1.00 0.00 H ATOM 50 N GLN A 4 27.666 1.069 0.962 1.00 25.27 N ATOM 51 CA GLN A 4 28.905 1.013 1.719 1.00 26.44 C ATOM 52 C GLN A 4 28.728 1.871 2.968 1.00 27.87 C ATOM 53 O GLN A 4 28.325 3.018 2.868 1.00 31.87 O ATOM 54 CB GLN A 4 30.059 1.548 0.881 1.00 29.23 C ATOM 55 CG GLN A 4 31.402 1.266 1.498 1.00 37.18 C ATOM 56 CD GLN A 4 32.553 1.611 0.583 1.00 44.14 C ATOM 57 OE1 GLN A 4 32.630 1.124 -0.542 1.00 47.03 O ATOM 58 NE2 GLN A 4 33.469 2.437 1.072 1.00 47.71 N ATOM 59 HA GLN A 4 29.133 -0.017 1.992 1.00 0.00 H ATOM 60 HB2 GLN A 4 30.022 1.081 -0.103 1.00 0.00 H ATOM 61 HB3 GLN A 4 29.943 2.627 0.775 1.00 0.00 H ATOM 62 HG2 GLN A 4 31.496 1.853 2.412 1.00 0.00 H ATOM 63 HG3 GLN A 4 31.457 0.205 1.742 1.00 0.00 H ATOM 64 HE22 GLN A 4 33.361 2.825 2.031 1.00 0.00 H ATOM 65 HE21 GLN A 4 34.295 2.697 0.496 1.00 0.00 H ATOM 66 H GLN A 4 27.615 1.698 0.136 1.00 0.00 H ATOM 67 N ASN A 5 28.959 1.298 4.138 1.00 25.18 N ATOM 68 CA ASN A 5 28.872 2.037 5.359 1.00 23.18 C ATOM 69 C ASN A 5 30.222 2.696 5.651 1.00 28.32 C ATOM 70 O ASN A 5 31.119 2.684 4.813 1.00 28.71 O ATOM 71 CB ASN A 5 28.312 1.183 6.513 1.00 26.63 C ATOM 72 CG ASN A 5 29.289 0.119 7.041 1.00 25.08 C ATOM 73 OD1 ASN A 5 30.475 0.089 6.694 1.00 26.04 O ATOM 74 ND2 ASN A 5 28.773 -0.766 7.902 1.00 26.34 N ATOM 75 HA ASN A 5 28.144 2.841 5.251 1.00 0.00 H ATOM 76 HB2 ASN A 5 28.053 1.848 7.337 1.00 0.00 H ATOM 77 HB3 ASN A 5 27.413 0.677 6.160 1.00 0.00 H ATOM 78 HD22 ASN A 5 27.770 -0.707 8.169 1.00 0.00 H ATOM 79 HD21 ASN A 5 29.375 -1.512 8.304 1.00 0.00 H ATOM 80 H ASN A 5 29.209 0.289 4.170 1.00 0.00 H ATOM 81 N LEU A 6 30.352 3.284 6.830 1.00 34.62 N ATOM 82 CA LEU A 6 31.577 3.964 7.216 1.00 40.51 C ATOM 83 C LEU A 6 32.794 3.014 7.365 1.00 38.67 C ATOM 84 O LEU A 6 33.895 3.334 6.899 1.00 43.10 O ATOM 85 CB LEU A 6 31.353 4.755 8.507 1.00 41.99 C ATOM 86 CG LEU A 6 31.896 6.185 8.478 1.00 48.53 C ATOM 87 CD1 LEU A 6 31.766 6.793 9.865 1.00 48.53 C ATOM 88 CD2 LEU A 6 33.341 6.254 7.993 1.00 50.40 C ATOM 89 HA LEU A 6 31.824 4.645 6.402 1.00 0.00 H ATOM 90 HB2 LEU A 6 30.281 4.802 8.696 1.00 0.00 H ATOM 91 HB3 LEU A 6 31.842 4.222 9.322 1.00 0.00 H ATOM 92 HG LEU A 6 31.305 6.756 7.762 1.00 0.00 H ATOM 93 HD21 LEU A 6 33.975 5.668 8.659 1.00 0.00 H ATOM 94 HD22 LEU A 6 33.403 5.851 6.982 1.00 0.00 H ATOM 95 HD23 LEU A 6 33.674 7.292 7.993 1.00 0.00 H ATOM 96 HD11 LEU A 6 30.716 6.804 10.159 1.00 0.00 H ATOM 97 HD12 LEU A 6 32.337 6.197 10.577 1.00 0.00 H ATOM 98 HD13 LEU A 6 32.151 7.812 9.851 1.00 0.00 H ATOM 99 H LEU A 6 29.556 3.259 7.498 1.00 0.00 H ATOM 100 N GLN A 7 32.598 1.846 7.981 1.00 43.57 N ATOM 101 CA GLN A 7 33.673 0.840 8.064 1.00 36.75 C ATOM 102 C GLN A 7 34.107 0.335 6.665 1.00 40.23 C ATOM 103 O GLN A 7 35.141 -0.322 6.546 1.00 47.16 O ATOM 104 CB GLN A 7 33.233 -0.374 8.895 1.00 38.85 C ATOM 105 CG GLN A 7 33.072 -0.183 10.398 1.00 44.31 C ATOM 106 CD GLN A 7 34.386 -0.083 11.173 1.00 47.47 C ATOM 107 OE1 GLN A 7 34.388 0.387 12.309 1.00 63.96 O ATOM 108 NE2 GLN A 7 35.494 -0.526 10.579 1.00 43.47 N ATOM 109 HA GLN A 7 34.516 1.338 8.543 1.00 0.00 H ATOM 110 HB2 GLN A 7 32.271 -0.705 8.504 1.00 0.00 H ATOM 111 HB3 GLN A 7 33.975 -1.158 8.744 1.00 0.00 H ATOM 112 HG2 GLN A 7 32.508 0.734 10.566 1.00 0.00 H ATOM 113 HG3 GLN A 7 32.510 -1.030 10.790 1.00 0.00 H ATOM 114 HE22 GLN A 7 35.447 -0.916 9.616 1.00 0.00 H ATOM 115 HE21 GLN A 7 36.405 -0.481 11.078 1.00 0.00 H ATOM 116 H GLN A 7 31.672 1.642 8.409 1.00 0.00 H ATOM 117 N GLY A 8 33.336 0.620 5.611 1.00 29.01 N ATOM 118 CA GLY A 8 33.610 0.067 4.265 1.00 29.37 C ATOM 119 C GLY A 8 32.882 -1.266 3.965 1.00 27.58 C ATOM 120 O GLY A 8 33.152 -1.927 2.942 1.00 25.83 O ATOM 121 HA3 GLY A 8 34.683 -0.102 4.177 1.00 0.00 H ATOM 122 HA2 GLY A 8 33.297 0.802 3.523 1.00 0.00 H ATOM 123 H GLY A 8 32.518 1.250 5.740 1.00 0.00 H ATOM 124 N GLN A 9 31.943 -1.665 4.832 1.00 22.48 N ATOM 125 CA GLN A 9 31.161 -2.899 4.593 1.00 22.57 C ATOM 126 C GLN A 9 29.934 -2.598 3.726 1.00 22.28 C ATOM 127 O GLN A 9 29.354 -1.517 3.839 1.00 22.26 O ATOM 128 CB GLN A 9 30.699 -3.514 5.919 1.00 23.34 C ATOM 129 CG GLN A 9 31.821 -3.795 6.920 1.00 23.40 C ATOM 130 CD GLN A 9 31.336 -3.741 8.351 1.00 24.95 C ATOM 131 OE1 GLN A 9 30.351 -3.080 8.654 1.00 30.03 O ATOM 132 NE2 GLN A 9 32.040 -4.409 9.249 1.00 26.30 N ATOM 133 HA GLN A 9 31.807 -3.607 4.074 1.00 0.00 H ATOM 134 HB2 GLN A 9 29.993 -2.826 6.385 1.00 0.00 H ATOM 135 HB3 GLN A 9 30.196 -4.456 5.700 1.00 0.00 H ATOM 136 HG2 GLN A 9 32.227 -4.787 6.724 1.00 0.00 H ATOM 137 HG3 GLN A 9 32.606 -3.050 6.787 1.00 0.00 H ATOM 138 HE22 GLN A 9 32.871 -4.960 8.953 1.00 0.00 H ATOM 139 HE21 GLN A 9 31.763 -4.384 10.251 1.00 0.00 H ATOM 140 H GLN A 9 31.760 -1.100 5.686 1.00 0.00 H ATOM 141 N MET A 10 29.562 -3.533 2.844 1.00 26.36 N ATOM 142 CA MET A 10 28.339 -3.423 2.038 1.00 25.63 C ATOM 143 C MET A 10 27.219 -3.938 2.924 1.00 24.55 C ATOM 144 O MET A 10 27.202 -5.121 3.273 1.00 32.34 O ATOM 145 CB MET A 10 28.418 -4.262 0.712 1.00 26.06 C ATOM 146 CG MET A 10 29.506 -3.814 -0.242 1.00 31.86 C ATOM 147 SD MET A 10 29.641 -2.011 -0.428 1.00 42.77 S ATOM 148 CE MET A 10 28.215 -1.716 -1.510 1.00 35.09 C ATOM 149 HA MET A 10 28.181 -2.391 1.724 1.00 0.00 H ATOM 150 HB2 MET A 10 28.602 -5.303 0.976 1.00 0.00 H ATOM 151 HB3 MET A 10 27.459 -4.183 0.199 1.00 0.00 H ATOM 152 HG2 MET A 10 29.300 -4.244 -1.222 1.00 0.00 H ATOM 153 HG3 MET A 10 30.460 -4.192 0.126 1.00 0.00 H ATOM 154 HE1 MET A 10 28.344 -2.273 -2.438 1.00 0.00 H ATOM 155 HE2 MET A 10 27.306 -2.048 -1.009 1.00 0.00 H ATOM 156 HE3 MET A 10 28.142 -0.651 -1.731 1.00 0.00 H ATOM 157 H MET A 10 30.164 -4.373 2.724 1.00 0.00 H ATOM 158 N VAL A 11 26.299 -3.053 3.293 1.00 21.72 N ATOM 159 CA VAL A 11 25.210 -3.387 4.208 1.00 23.43 C ATOM 160 C VAL A 11 23.862 -2.997 3.610 1.00 18.61 C ATOM 161 O VAL A 11 23.752 -2.099 2.797 1.00 22.58 O ATOM 162 CB VAL A 11 25.369 -2.731 5.598 1.00 26.67 C ATOM 163 CG1 VAL A 11 26.581 -3.320 6.340 1.00 33.48 C ATOM 164 CG2 VAL A 11 25.451 -1.212 5.505 1.00 23.56 C ATOM 165 HA VAL A 11 25.252 -4.467 4.349 1.00 0.00 H ATOM 166 HB VAL A 11 24.474 -2.960 6.177 1.00 0.00 H ATOM 167 HG11 VAL A 11 26.440 -4.393 6.470 1.00 0.00 H ATOM 168 HG12 VAL A 11 27.485 -3.139 5.758 1.00 0.00 H ATOM 169 HG13 VAL A 11 26.674 -2.844 7.316 1.00 0.00 H ATOM 170 HG21 VAL A 11 26.310 -0.932 4.895 1.00 0.00 H ATOM 171 HG22 VAL A 11 24.539 -0.827 5.048 1.00 0.00 H ATOM 172 HG23 VAL A 11 25.562 -0.793 6.505 1.00 0.00 H ATOM 173 H VAL A 11 26.356 -2.085 2.916 1.00 0.00 H ATOM 174 N HIS A 12 22.823 -3.670 4.039 1.00 22.87 N ATOM 175 CA HIS A 12 21.446 -3.369 3.571 1.00 21.81 C ATOM 176 C HIS A 12 20.806 -2.334 4.496 1.00 24.22 C ATOM 177 O HIS A 12 20.960 -2.411 5.711 1.00 22.05 O ATOM 178 CB HIS A 12 20.605 -4.645 3.568 1.00 21.84 C ATOM 179 CG HIS A 12 19.166 -4.414 3.321 1.00 17.45 C ATOM 180 ND1 HIS A 12 18.640 -4.219 2.058 1.00 21.70 N ATOM 181 CD2 HIS A 12 18.129 -4.337 4.185 1.00 18.62 C ATOM 182 CE1 HIS A 12 17.341 -4.022 2.164 1.00 21.25 C ATOM 183 NE2 HIS A 12 17.007 -4.087 3.440 1.00 25.42 N ATOM 184 HA HIS A 12 21.492 -2.971 2.557 1.00 0.00 H ATOM 185 HB2 HIS A 12 20.986 -5.305 2.789 1.00 0.00 H ATOM 186 HB3 HIS A 12 20.713 -5.130 4.538 1.00 0.00 H ATOM 187 HD2 HIS A 12 18.177 -4.452 5.268 1.00 0.00 H ATOM 188 HE1 HIS A 12 16.656 -3.836 1.336 1.00 0.00 H ATOM 189 H HIS A 12 22.967 -4.437 4.727 1.00 0.00 H ATOM 190 N GLN A 13 20.131 -1.355 3.895 1.00 25.73 N ATOM 191 CA GLN A 13 19.257 -0.395 4.598 1.00 28.10 C ATOM 192 C GLN A 13 17.913 -0.364 3.899 1.00 28.55 C ATOM 193 O GLN A 13 17.861 -0.388 2.686 1.00 30.11 O ATOM 194 CB GLN A 13 19.892 1.011 4.627 1.00 35.26 C ATOM 195 CG GLN A 13 20.455 1.529 3.310 1.00 44.94 C ATOM 196 CD GLN A 13 20.679 3.051 3.286 1.00 54.90 C ATOM 197 OE1 GLN A 13 20.268 3.739 2.336 1.00 62.42 O ATOM 198 NE2 GLN A 13 21.340 3.579 4.324 1.00 46.00 N ATOM 199 HA GLN A 13 19.126 -0.712 5.633 1.00 0.00 H ATOM 200 HB2 GLN A 13 19.128 1.713 4.960 1.00 0.00 H ATOM 201 HB3 GLN A 13 20.706 0.992 5.351 1.00 0.00 H ATOM 202 HG2 GLN A 13 21.411 1.038 3.128 1.00 0.00 H ATOM 203 HG3 GLN A 13 19.758 1.271 2.513 1.00 0.00 H ATOM 204 HE22 GLN A 13 21.667 2.966 5.098 1.00 0.00 H ATOM 205 HE21 GLN A 13 21.527 4.602 4.356 1.00 0.00 H ATOM 206 H GLN A 13 20.226 -1.261 2.864 1.00 0.00 H ATOM 207 N ALA A 14 16.813 -0.247 4.631 1.00 37.85 N ATOM 208 CA ALA A 14 15.492 -0.056 3.987 1.00 32.64 C ATOM 209 C ALA A 14 15.486 1.174 3.113 1.00 32.05 C ATOM 210 O ALA A 14 16.181 2.175 3.405 1.00 29.23 O ATOM 211 CB ALA A 14 14.394 0.084 5.046 1.00 36.21 C ATOM 212 HA ALA A 14 15.299 -0.934 3.370 1.00 0.00 H ATOM 213 HB1 ALA A 14 14.363 -0.818 5.657 1.00 0.00 H ATOM 214 HB2 ALA A 14 14.608 0.946 5.678 1.00 0.00 H ATOM 215 HB3 ALA A 14 13.432 0.223 4.554 1.00 0.00 H ATOM 216 H ALA A 14 16.878 -0.290 5.668 1.00 0.00 H ATOM 217 N ILE A 15 14.718 1.118 2.026 1.00 30.13 N ATOM 218 CA ILE A 15 14.526 2.315 1.228 1.00 30.27 C ATOM 219 C ILE A 15 13.866 3.323 2.178 1.00 29.78 C ATOM 220 O ILE A 15 12.984 2.982 2.981 1.00 39.56 O ATOM 221 CB ILE A 15 13.753 2.088 -0.108 1.00 31.28 C ATOM 222 CG1 ILE A 15 13.745 3.388 -0.924 1.00 29.70 C ATOM 223 CG2 ILE A 15 12.335 1.556 0.129 1.00 38.04 C ATOM 224 CD1 ILE A 15 13.149 3.244 -2.314 1.00 32.95 C ATOM 225 HA ILE A 15 15.478 2.691 0.853 1.00 0.00 H ATOM 226 HB ILE A 15 14.271 1.318 -0.680 1.00 0.00 H ATOM 227 HG12 ILE A 15 13.165 4.132 -0.378 1.00 0.00 H ATOM 228 HG13 ILE A 15 14.773 3.735 -1.026 1.00 0.00 H ATOM 229 HD11 ILE A 15 13.725 2.512 -2.881 1.00 0.00 H ATOM 230 HD12 ILE A 15 12.115 2.910 -2.232 1.00 0.00 H ATOM 231 HD13 ILE A 15 13.181 4.207 -2.823 1.00 0.00 H ATOM 232 HG21 ILE A 15 12.389 0.604 0.657 1.00 0.00 H ATOM 233 HG22 ILE A 15 11.775 2.274 0.728 1.00 0.00 H ATOM 234 HG23 ILE A 15 11.837 1.414 -0.830 1.00 0.00 H ATOM 235 H ILE A 15 14.260 0.225 1.752 1.00 0.00 H ATOM 236 N SER A 16 14.349 4.545 2.140 1.00 31.02 N ATOM 237 CA SER A 16 13.930 5.546 3.142 1.00 33.97 C ATOM 238 C SER A 16 12.637 6.269 2.728 1.00 39.41 C ATOM 239 O SER A 16 12.410 6.510 1.529 1.00 35.02 O ATOM 240 CB SER A 16 15.042 6.547 3.308 1.00 29.53 C ATOM 241 OG SER A 16 15.031 7.418 2.203 1.00 41.70 O ATOM 242 HA SER A 16 13.726 5.033 4.082 1.00 0.00 H ATOM 243 HB2 SER A 16 15.999 6.028 3.357 1.00 0.00 H ATOM 244 HB3 SER A 16 14.891 7.116 4.226 1.00 0.00 H ATOM 245 HG SER A 16 15.167 6.897 1.372 1.00 0.00 H ATOM 246 H SER A 16 15.030 4.809 1.400 1.00 0.00 H ATOM 247 N PRO A 17 11.797 6.648 3.725 1.00 44.93 N ATOM 248 CA PRO A 17 10.584 7.402 3.411 1.00 39.04 C ATOM 249 C PRO A 17 10.888 8.693 2.636 1.00 35.33 C ATOM 250 O PRO A 17 10.077 9.090 1.796 1.00 45.16 O ATOM 251 CB PRO A 17 9.976 7.710 4.799 1.00 39.42 C ATOM 252 CG PRO A 17 11.095 7.564 5.761 1.00 35.68 C ATOM 253 CD PRO A 17 11.976 6.491 5.187 1.00 44.28 C ATOM 254 HA PRO A 17 9.908 6.844 2.763 1.00 0.00 H ATOM 255 HD3 PRO A 17 13.017 6.646 5.472 1.00 0.00 H ATOM 256 HD2 PRO A 17 11.654 5.503 5.516 1.00 0.00 H ATOM 257 HG3 PRO A 17 10.720 7.267 6.740 1.00 0.00 H ATOM 258 HG2 PRO A 17 11.645 8.501 5.853 1.00 0.00 H ATOM 259 HB2 PRO A 17 9.580 8.725 4.825 1.00 0.00 H ATOM 260 HB3 PRO A 17 9.178 7.004 5.031 1.00 0.00 H ATOM 261 N ARG A 18 12.044 9.315 2.888 1.00 29.17 N ATOM 262 CA ARG A 18 12.488 10.480 2.125 1.00 33.42 C ATOM 263 C ARG A 18 12.557 10.224 0.595 1.00 39.67 C ATOM 264 O ARG A 18 11.863 10.893 -0.232 1.00 41.93 O ATOM 265 CB ARG A 18 13.854 10.916 2.660 1.00 38.80 C ATOM 266 CG ARG A 18 14.501 12.080 1.917 1.00 45.92 C ATOM 267 CD ARG A 18 15.674 12.647 2.707 1.00 53.84 C ATOM 268 NE ARG A 18 16.189 13.922 2.175 1.00 69.73 N ATOM 269 CZ ARG A 18 17.348 14.494 2.538 1.00 65.04 C ATOM 270 NH1 ARG A 18 18.149 13.902 3.424 1.00 61.68 N ATOM 271 NH2 ARG A 18 17.719 15.665 2.006 1.00 62.50 N ATOM 272 HA ARG A 18 11.749 11.270 2.258 1.00 0.00 H ATOM 273 HB2 ARG A 18 13.730 11.208 3.703 1.00 0.00 H ATOM 274 HB3 ARG A 18 14.528 10.061 2.601 1.00 0.00 H ATOM 275 HG2 ARG A 18 14.859 11.730 0.949 1.00 0.00 H ATOM 276 HG3 ARG A 18 13.759 12.864 1.767 1.00 0.00 H ATOM 277 HD2 ARG A 18 16.483 11.917 2.693 1.00 0.00 H ATOM 278 HD3 ARG A 18 15.350 12.809 3.735 1.00 0.00 H ATOM 279 HE ARG A 18 15.611 14.415 1.465 1.00 0.00 H ATOM 280 HH12 ARG A 18 19.045 14.354 3.698 1.00 0.00 H ATOM 281 HH11 ARG A 18 17.878 12.988 3.841 1.00 0.00 H ATOM 282 HH22 ARG A 18 18.618 16.104 2.291 1.00 0.00 H ATOM 283 HH21 ARG A 18 17.108 16.136 1.308 1.00 0.00 H ATOM 284 H ARG A 18 12.649 8.957 3.654 1.00 0.00 H ATOM 285 N THR A 19 13.423 9.285 0.233 1.00 34.60 N ATOM 286 CA THR A 19 13.563 8.752 -1.141 1.00 29.70 C ATOM 287 C THR A 19 12.207 8.504 -1.802 1.00 32.64 C ATOM 288 O THR A 19 11.976 8.950 -2.942 1.00 36.01 O ATOM 289 CB THR A 19 14.375 7.417 -1.096 1.00 32.41 C ATOM 290 OG1 THR A 19 15.716 7.688 -0.688 1.00 37.12 O ATOM 291 CG2 THR A 19 14.450 6.713 -2.459 1.00 38.72 C ATOM 292 HA THR A 19 14.088 9.498 -1.737 1.00 0.00 H ATOM 293 HB THR A 19 13.854 6.766 -0.395 1.00 0.00 H ATOM 294 HG1 THR A 19 16.229 6.842 -0.660 1.00 0.00 H ATOM 295 HG23 THR A 19 13.442 6.488 -2.806 1.00 0.00 H ATOM 296 HG21 THR A 19 14.946 7.366 -3.177 1.00 0.00 H ATOM 297 HG22 THR A 19 15.016 5.787 -2.357 1.00 0.00 H ATOM 298 H THR A 19 14.048 8.896 0.968 1.00 0.00 H ATOM 299 N LEU A 20 11.315 7.809 -1.092 1.00 32.00 N ATOM 300 CA LEU A 20 10.031 7.402 -1.656 1.00 34.16 C ATOM 301 C LEU A 20 9.169 8.638 -1.906 1.00 32.32 C ATOM 302 O LEU A 20 8.427 8.666 -2.864 1.00 33.93 O ATOM 303 CB LEU A 20 9.280 6.395 -0.769 1.00 34.38 C ATOM 304 CG LEU A 20 9.649 4.924 -0.724 1.00 37.71 C ATOM 305 CD1 LEU A 20 8.842 4.223 0.367 1.00 37.47 C ATOM 306 CD2 LEU A 20 9.454 4.248 -2.101 1.00 42.50 C ATOM 307 HA LEU A 20 10.235 6.892 -2.597 1.00 0.00 H ATOM 308 HB2 LEU A 20 9.371 6.763 0.253 1.00 0.00 H ATOM 309 HB3 LEU A 20 8.235 6.437 -1.078 1.00 0.00 H ATOM 310 HG LEU A 20 10.708 4.837 -0.481 1.00 0.00 H ATOM 311 HD21 LEU A 20 8.410 4.333 -2.402 1.00 0.00 H ATOM 312 HD22 LEU A 20 10.087 4.741 -2.839 1.00 0.00 H ATOM 313 HD23 LEU A 20 9.728 3.195 -2.030 1.00 0.00 H ATOM 314 HD11 LEU A 20 9.063 4.681 1.331 1.00 0.00 H ATOM 315 HD12 LEU A 20 7.778 4.323 0.151 1.00 0.00 H ATOM 316 HD13 LEU A 20 9.111 3.167 0.395 1.00 0.00 H ATOM 317 H LEU A 20 11.541 7.550 -0.110 1.00 0.00 H ATOM 318 N ASN A 21 9.296 9.662 -1.050 1.00 34.10 N ATOM 319 CA ASN A 21 8.527 10.890 -1.184 1.00 32.50 C ATOM 320 C ASN A 21 8.983 11.718 -2.356 1.00 31.53 C ATOM 321 O ASN A 21 8.149 12.341 -3.029 1.00 37.16 O ATOM 322 CB ASN A 21 8.643 11.783 0.079 1.00 37.22 C ATOM 323 CG ASN A 21 8.061 11.140 1.309 1.00 40.02 C ATOM 324 OD1 ASN A 21 7.397 10.094 1.242 1.00 61.70 O ATOM 325 ND2 ASN A 21 8.301 11.764 2.452 1.00 47.56 N ATOM 326 HA ASN A 21 7.495 10.569 -1.330 1.00 0.00 H ATOM 327 HB2 ASN A 21 9.697 11.992 0.262 1.00 0.00 H ATOM 328 HB3 ASN A 21 8.115 12.719 -0.107 1.00 0.00 H ATOM 329 HD22 ASN A 21 8.863 12.639 2.459 1.00 0.00 H ATOM 330 HD21 ASN A 21 7.927 11.379 3.343 1.00 0.00 H ATOM 331 H ASN A 21 9.969 9.576 -0.262 1.00 0.00 H ATOM 332 N ALA A 22 10.304 11.743 -2.564 1.00 31.40 N ATOM 333 CA ALA A 22 10.930 12.374 -3.713 1.00 30.87 C ATOM 334 C ALA A 22 10.467 11.685 -4.979 1.00 28.69 C ATOM 335 O ALA A 22 10.158 12.355 -5.948 1.00 32.14 O ATOM 336 CB ALA A 22 12.471 12.314 -3.623 1.00 29.77 C ATOM 337 HA ALA A 22 10.635 13.423 -3.728 1.00 0.00 H ATOM 338 HB1 ALA A 22 12.801 12.831 -2.722 1.00 0.00 H ATOM 339 HB2 ALA A 22 12.791 11.273 -3.584 1.00 0.00 H ATOM 340 HB3 ALA A 22 12.904 12.796 -4.500 1.00 0.00 H ATOM 341 H ALA A 22 10.919 11.284 -1.862 1.00 0.00 H ATOM 342 N TRP A 23 10.440 10.355 -4.975 1.00 31.52 N ATOM 343 CA TRP A 23 9.999 9.614 -6.154 1.00 26.74 C ATOM 344 C TRP A 23 8.520 9.914 -6.460 1.00 24.90 C ATOM 345 O TRP A 23 8.136 10.055 -7.612 1.00 26.50 O ATOM 346 CB TRP A 23 10.296 8.114 -5.992 1.00 25.99 C ATOM 347 CG TRP A 23 9.730 7.252 -7.141 1.00 25.34 C ATOM 348 CD1 TRP A 23 8.836 6.236 -7.022 1.00 25.59 C ATOM 349 CD2 TRP A 23 10.020 7.375 -8.531 1.00 26.13 C ATOM 350 NE1 TRP A 23 8.540 5.706 -8.273 1.00 28.94 N ATOM 351 CE2 TRP A 23 9.261 6.388 -9.211 1.00 30.81 C ATOM 352 CE3 TRP A 23 10.856 8.206 -9.275 1.00 27.14 C ATOM 353 CZ2 TRP A 23 9.304 6.234 -10.596 1.00 29.59 C ATOM 354 CZ3 TRP A 23 10.896 8.053 -10.643 1.00 27.00 C ATOM 355 CH2 TRP A 23 10.119 7.073 -11.296 1.00 25.24 C ATOM 356 HA TRP A 23 10.566 9.947 -7.023 1.00 0.00 H ATOM 357 HB2 TRP A 23 11.377 7.977 -5.956 1.00 0.00 H ATOM 358 HB3 TRP A 23 9.857 7.773 -5.055 1.00 0.00 H ATOM 359 HE1 TRP A 23 7.882 4.923 -8.462 1.00 0.00 H ATOM 360 HD1 TRP A 23 8.412 5.886 -6.081 1.00 0.00 H ATOM 361 HZ2 TRP A 23 8.709 5.472 -11.100 1.00 0.00 H ATOM 362 HH2 TRP A 23 10.171 6.985 -12.381 1.00 0.00 H ATOM 363 HZ3 TRP A 23 11.542 8.703 -11.234 1.00 0.00 H ATOM 364 HE3 TRP A 23 11.467 8.963 -8.783 1.00 0.00 H ATOM 365 H TRP A 23 10.736 9.837 -4.123 1.00 0.00 H ATOM 366 N VAL A 24 7.710 10.072 -5.412 1.00 26.78 N ATOM 367 CA VAL A 24 6.298 10.442 -5.576 1.00 28.13 C ATOM 368 C VAL A 24 6.158 11.795 -6.262 1.00 32.21 C ATOM 369 O VAL A 24 5.339 11.950 -7.168 1.00 36.40 O ATOM 370 CB VAL A 24 5.549 10.307 -4.248 1.00 30.51 C ATOM 371 CG1 VAL A 24 4.148 10.916 -4.297 1.00 39.63 C ATOM 372 CG2 VAL A 24 5.473 8.831 -3.864 1.00 34.95 C ATOM 373 HA VAL A 24 5.811 9.740 -6.253 1.00 0.00 H ATOM 374 HB VAL A 24 6.104 10.865 -3.494 1.00 0.00 H ATOM 375 HG11 VAL A 24 4.223 11.978 -4.533 1.00 0.00 H ATOM 376 HG12 VAL A 24 3.561 10.412 -5.065 1.00 0.00 H ATOM 377 HG13 VAL A 24 3.665 10.791 -3.328 1.00 0.00 H ATOM 378 HG21 VAL A 24 4.943 8.281 -4.642 1.00 0.00 H ATOM 379 HG22 VAL A 24 6.482 8.432 -3.759 1.00 0.00 H ATOM 380 HG23 VAL A 24 4.940 8.730 -2.918 1.00 0.00 H ATOM 381 H VAL A 24 8.088 9.929 -4.454 1.00 0.00 H ATOM 382 N LYS A 25 7.006 12.753 -5.902 1.00 32.96 N ATOM 383 CA LYS A 25 6.935 14.067 -6.504 1.00 31.70 C ATOM 384 C LYS A 25 7.398 14.073 -7.923 1.00 28.64 C ATOM 385 O LYS A 25 6.814 14.776 -8.750 1.00 31.21 O ATOM 386 CB LYS A 25 7.828 15.059 -5.788 1.00 35.13 C ATOM 387 CG LYS A 25 7.393 15.447 -4.392 1.00 37.02 C ATOM 388 CD LYS A 25 8.279 16.593 -3.947 1.00 31.74 C ATOM 389 CE LYS A 25 8.287 16.681 -2.460 1.00 35.82 C ATOM 390 NZ LYS A 25 9.468 17.438 -2.049 1.00 35.96 N ATOM 391 HA LYS A 25 5.883 14.343 -6.435 1.00 0.00 H ATOM 392 HB2 LYS A 25 8.825 14.623 -5.719 1.00 0.00 H ATOM 393 HB3 LYS A 25 7.870 15.967 -6.390 1.00 0.00 H ATOM 394 HG2 LYS A 25 6.350 15.763 -4.400 1.00 0.00 H ATOM 395 HG3 LYS A 25 7.510 14.600 -3.716 1.00 0.00 H ATOM 396 HD2 LYS A 25 9.295 16.425 -4.305 1.00 0.00 H ATOM 397 HD3 LYS A 25 7.899 17.526 -4.362 1.00 0.00 H ATOM 398 HE2 LYS A 25 8.324 15.679 -2.032 1.00 0.00 H ATOM 399 HE3 LYS A 25 7.386 17.189 -2.116 1.00 0.00 H ATOM 400 HZ1 LYS A 25 10.324 16.950 -2.382 1.00 0.00 H ATOM 401 HZ2 LYS A 25 9.428 18.392 -2.462 1.00 0.00 H ATOM 402 HZ3 LYS A 25 9.489 17.509 -1.012 1.00 0.00 H ATOM 403 H LYS A 25 7.728 12.556 -5.180 1.00 0.00 H ATOM 404 N VAL A 26 8.482 13.331 -8.193 1.00 29.36 N ATOM 405 CA VAL A 26 8.996 13.225 -9.526 1.00 32.59 C ATOM 406 C VAL A 26 7.848 12.868 -10.488 1.00 31.78 C ATOM 407 O VAL A 26 7.664 13.506 -11.517 1.00 37.22 O ATOM 408 CB VAL A 26 10.087 12.112 -9.642 1.00 30.88 C ATOM 409 CG1 VAL A 26 10.458 11.870 -11.095 1.00 31.31 C ATOM 410 CG2 VAL A 26 11.326 12.497 -8.892 1.00 34.00 C ATOM 411 HA VAL A 26 9.444 14.185 -9.781 1.00 0.00 H ATOM 412 HB VAL A 26 9.668 11.202 -9.213 1.00 0.00 H ATOM 413 HG11 VAL A 26 9.573 11.554 -11.647 1.00 0.00 H ATOM 414 HG12 VAL A 26 10.848 12.791 -11.527 1.00 0.00 H ATOM 415 HG13 VAL A 26 11.219 11.091 -11.150 1.00 0.00 H ATOM 416 HG21 VAL A 26 11.725 13.424 -9.304 1.00 0.00 H ATOM 417 HG22 VAL A 26 11.082 12.641 -7.839 1.00 0.00 H ATOM 418 HG23 VAL A 26 12.069 11.705 -8.989 1.00 0.00 H ATOM 419 H VAL A 26 8.958 12.823 -7.420 1.00 0.00 H ATOM 420 N VAL A 27 7.094 11.841 -10.128 1.00 26.75 N ATOM 421 CA VAL A 27 6.122 11.284 -11.040 1.00 31.25 C ATOM 422 C VAL A 27 4.979 12.270 -11.185 1.00 32.30 C ATOM 423 O VAL A 27 4.566 12.603 -12.303 1.00 37.98 O ATOM 424 CB VAL A 27 5.582 9.929 -10.546 1.00 33.24 C ATOM 425 CG1 VAL A 27 4.417 9.499 -11.446 1.00 37.47 C ATOM 426 CG2 VAL A 27 6.696 8.884 -10.552 1.00 35.14 C ATOM 427 HA VAL A 27 6.606 11.109 -12.001 1.00 0.00 H ATOM 428 HB VAL A 27 5.222 10.024 -9.522 1.00 0.00 H ATOM 429 HG11 VAL A 27 3.628 10.249 -11.400 1.00 0.00 H ATOM 430 HG12 VAL A 27 4.769 9.403 -12.473 1.00 0.00 H ATOM 431 HG13 VAL A 27 4.029 8.540 -11.103 1.00 0.00 H ATOM 432 HG21 VAL A 27 7.078 8.768 -11.566 1.00 0.00 H ATOM 433 HG22 VAL A 27 7.501 9.210 -9.894 1.00 0.00 H ATOM 434 HG23 VAL A 27 6.300 7.931 -10.201 1.00 0.00 H ATOM 435 H VAL A 27 7.203 11.431 -9.178 1.00 0.00 H ATOM 436 N GLU A 28 4.491 12.708 -10.036 1.00 34.46 N ATOM 437 CA GLU A 28 3.454 13.733 -9.964 1.00 38.80 C ATOM 438 C GLU A 28 3.739 14.981 -10.832 1.00 37.54 C ATOM 439 O GLU A 28 2.920 15.367 -11.674 1.00 42.71 O ATOM 440 CB GLU A 28 3.203 14.108 -8.504 1.00 43.95 C ATOM 441 CG GLU A 28 2.297 13.144 -7.748 1.00 42.81 C ATOM 442 CD GLU A 28 2.010 13.616 -6.329 1.00 54.29 C ATOM 443 OE1 GLU A 28 2.250 14.810 -6.013 1.00 71.88 O ATOM 444 OE2 GLU A 28 1.545 12.797 -5.519 1.00 54.95 O ATOM 445 HA GLU A 28 2.550 13.299 -10.391 1.00 0.00 H ATOM 446 HB2 GLU A 28 4.164 14.144 -7.992 1.00 0.00 H ATOM 447 HB3 GLU A 28 2.743 15.096 -8.481 1.00 0.00 H ATOM 448 HG2 GLU A 28 1.353 13.054 -8.286 1.00 0.00 H ATOM 449 HG3 GLU A 28 2.782 12.169 -7.702 1.00 0.00 H ATOM 450 H GLU A 28 4.860 12.307 -9.150 1.00 0.00 H ATOM 451 N GLU A 29 4.904 15.585 -10.680 1.00 35.53 N ATOM 452 CA GLU A 29 5.204 16.814 -11.402 1.00 43.98 C ATOM 453 C GLU A 29 5.550 16.602 -12.853 1.00 50.37 C ATOM 454 O GLU A 29 5.071 17.328 -13.734 1.00 62.55 O ATOM 455 CB GLU A 29 6.422 17.510 -10.791 1.00 50.90 C ATOM 456 CG GLU A 29 6.211 18.205 -9.465 1.00 45.29 C ATOM 457 CD GLU A 29 7.448 19.021 -9.080 1.00 50.00 C ATOM 458 OE1 GLU A 29 7.945 19.803 -9.954 1.00 52.27 O ATOM 459 OE2 GLU A 29 7.930 18.860 -7.919 1.00 43.68 O ATOM 460 HA GLU A 29 4.291 17.404 -11.326 1.00 0.00 H ATOM 461 HB2 GLU A 29 7.197 16.757 -10.650 1.00 0.00 H ATOM 462 HB3 GLU A 29 6.769 18.257 -11.505 1.00 0.00 H ATOM 463 HG2 GLU A 29 5.352 18.871 -9.542 1.00 0.00 H ATOM 464 HG3 GLU A 29 6.021 17.457 -8.695 1.00 0.00 H ATOM 465 H GLU A 29 5.614 15.179 -10.038 1.00 0.00 H ATOM 466 N LYS A 30 6.440 15.637 -13.089 1.00 44.17 N ATOM 467 CA LYS A 30 7.130 15.521 -14.364 1.00 47.98 C ATOM 468 C LYS A 30 6.423 14.517 -15.303 1.00 48.45 C ATOM 469 O LYS A 30 6.665 14.543 -16.505 1.00 50.33 O ATOM 470 CB LYS A 30 8.618 15.123 -14.127 1.00 51.13 C ATOM 471 CG LYS A 30 9.642 16.237 -13.819 1.00 51.26 C ATOM 472 CD LYS A 30 9.089 17.542 -13.235 1.00 61.93 C ATOM 473 CE LYS A 30 8.659 18.539 -14.323 1.00 60.19 C ATOM 474 NZ LYS A 30 8.332 19.897 -13.808 1.00 52.87 N ATOM 475 HA LYS A 30 7.103 16.491 -14.860 1.00 0.00 H ATOM 476 HB2 LYS A 30 8.635 14.429 -13.286 1.00 0.00 H ATOM 477 HB3 LYS A 30 8.961 14.611 -15.026 1.00 0.00 H ATOM 478 HG2 LYS A 30 10.362 15.835 -13.106 1.00 0.00 H ATOM 479 HG3 LYS A 30 10.153 16.482 -14.750 1.00 0.00 H ATOM 480 HD2 LYS A 30 8.225 17.308 -12.613 1.00 0.00 H ATOM 481 HD3 LYS A 30 9.861 18.006 -12.621 1.00 0.00 H ATOM 482 HE2 LYS A 30 7.776 18.141 -14.823 1.00 0.00 H ATOM 483 HE3 LYS A 30 9.472 18.632 -15.043 1.00 0.00 H ATOM 484 HZ1 LYS A 30 7.549 19.829 -13.127 1.00 0.00 H ATOM 485 HZ2 LYS A 30 9.168 20.298 -13.337 1.00 0.00 H ATOM 486 HZ3 LYS A 30 8.052 20.509 -14.601 1.00 0.00 H ATOM 487 H LYS A 30 6.647 14.947 -12.339 1.00 0.00 H ATOM 488 N ALA A 31 5.544 13.672 -14.743 1.00 44.09 N ATOM 489 CA ALA A 31 4.882 12.570 -15.464 1.00 48.17 C ATOM 490 C ALA A 31 5.970 11.723 -16.132 1.00 45.14 C ATOM 491 O ALA A 31 6.694 11.028 -15.404 1.00 56.51 O ATOM 492 CB ALA A 31 3.838 13.091 -16.462 1.00 55.39 C ATOM 493 HA ALA A 31 4.322 11.946 -14.767 1.00 0.00 H ATOM 494 HB1 ALA A 31 3.076 13.658 -15.926 1.00 0.00 H ATOM 495 HB2 ALA A 31 4.326 13.736 -17.193 1.00 0.00 H ATOM 496 HB3 ALA A 31 3.373 12.248 -16.973 1.00 0.00 H ATOM 497 H ALA A 31 5.315 13.803 -13.737 1.00 0.00 H ATOM 498 N PHE A 32 6.127 11.817 -17.467 1.00 40.82 N ATOM 499 CA PHE A 32 7.182 11.057 -18.203 1.00 41.63 C ATOM 500 C PHE A 32 7.977 11.908 -19.210 1.00 39.53 C ATOM 501 O PHE A 32 8.139 11.553 -20.382 1.00 49.13 O ATOM 502 CB PHE A 32 6.608 9.785 -18.850 1.00 39.31 C ATOM 503 CG PHE A 32 6.049 8.808 -17.854 1.00 36.43 C ATOM 504 CD1 PHE A 32 6.890 8.082 -17.031 1.00 42.09 C ATOM 505 CD2 PHE A 32 4.700 8.621 -17.733 1.00 37.12 C ATOM 506 CE1 PHE A 32 6.376 7.193 -16.106 1.00 47.65 C ATOM 507 CE2 PHE A 32 4.173 7.735 -16.816 1.00 41.26 C ATOM 508 CZ PHE A 32 5.009 7.017 -15.998 1.00 41.68 C ATOM 509 HA PHE A 32 7.910 10.754 -17.450 1.00 0.00 H ATOM 510 HB2 PHE A 32 5.811 10.075 -19.535 1.00 0.00 H ATOM 511 HB3 PHE A 32 7.404 9.292 -19.409 1.00 0.00 H ATOM 512 HD2 PHE A 32 4.025 9.185 -18.376 1.00 0.00 H ATOM 513 HE2 PHE A 32 3.093 7.605 -16.741 1.00 0.00 H ATOM 514 HZ PHE A 32 4.600 6.316 -15.271 1.00 0.00 H ATOM 515 HE1 PHE A 32 7.050 6.630 -15.460 1.00 0.00 H ATOM 516 HD1 PHE A 32 7.969 8.212 -17.113 1.00 0.00 H ATOM 517 H PHE A 32 5.491 12.441 -18.004 1.00 0.00 H ATOM 518 N SER A 33 8.513 13.012 -18.710 1.00 42.39 N ATOM 519 CA SER A 33 9.446 13.843 -19.454 1.00 42.01 C ATOM 520 C SER A 33 10.828 13.168 -19.397 1.00 37.11 C ATOM 521 O SER A 33 11.016 12.252 -18.595 1.00 38.06 O ATOM 522 CB SER A 33 9.464 15.265 -18.844 1.00 48.17 C ATOM 523 OG SER A 33 10.331 15.353 -17.728 1.00 57.47 O ATOM 524 HA SER A 33 9.149 13.944 -20.498 1.00 0.00 H ATOM 525 HB2 SER A 33 8.454 15.525 -18.527 1.00 0.00 H ATOM 526 HB3 SER A 33 9.797 15.970 -19.605 1.00 0.00 H ATOM 527 HG SER A 33 10.313 16.276 -17.369 1.00 0.00 H ATOM 528 H SER A 33 8.255 13.296 -17.743 1.00 0.00 H ATOM 529 N PRO A 34 11.785 13.589 -20.262 1.00 51.60 N ATOM 530 CA PRO A 34 13.097 12.897 -20.303 1.00 44.67 C ATOM 531 C PRO A 34 13.788 12.736 -18.935 1.00 48.40 C ATOM 532 O PRO A 34 14.362 11.683 -18.682 1.00 58.78 O ATOM 533 CB PRO A 34 13.938 13.776 -21.255 1.00 45.96 C ATOM 534 CG PRO A 34 13.191 15.091 -21.348 1.00 51.64 C ATOM 535 CD PRO A 34 11.741 14.717 -21.221 1.00 48.44 C ATOM 536 HA PRO A 34 12.977 11.866 -20.634 1.00 0.00 H ATOM 537 HD3 PRO A 34 11.153 15.546 -20.828 1.00 0.00 H ATOM 538 HD2 PRO A 34 11.329 14.403 -22.180 1.00 0.00 H ATOM 539 HG3 PRO A 34 13.381 15.574 -22.306 1.00 0.00 H ATOM 540 HG2 PRO A 34 13.488 15.760 -20.540 1.00 0.00 H ATOM 541 HB2 PRO A 34 14.937 13.932 -20.849 1.00 0.00 H ATOM 542 HB3 PRO A 34 14.015 13.310 -22.237 1.00 0.00 H ATOM 543 N GLU A 35 13.679 13.765 -18.080 1.00 43.77 N ATOM 544 CA GLU A 35 14.316 13.854 -16.754 1.00 38.69 C ATOM 545 C GLU A 35 13.762 12.948 -15.617 1.00 36.12 C ATOM 546 O GLU A 35 14.302 12.945 -14.485 1.00 35.44 O ATOM 547 CB GLU A 35 14.193 15.297 -16.255 1.00 41.49 C ATOM 548 CG GLU A 35 12.868 15.620 -15.558 1.00 40.09 C ATOM 549 CD GLU A 35 12.564 17.140 -15.522 1.00 57.19 C ATOM 550 OE1 GLU A 35 13.022 17.843 -14.569 1.00 58.97 O ATOM 551 OE2 GLU A 35 11.851 17.641 -16.439 1.00 55.55 O ATOM 552 HA GLU A 35 15.332 13.504 -16.937 1.00 0.00 H ATOM 553 HB2 GLU A 35 15.003 15.483 -15.550 1.00 0.00 H ATOM 554 HB3 GLU A 35 14.298 15.963 -17.111 1.00 0.00 H ATOM 555 HG2 GLU A 35 12.062 15.116 -16.091 1.00 0.00 H ATOM 556 HG3 GLU A 35 12.913 15.249 -14.534 1.00 0.00 H ATOM 557 H GLU A 35 13.093 14.570 -18.380 1.00 0.00 H ATOM 558 N VAL A 36 12.663 12.255 -15.879 1.00 31.88 N ATOM 559 CA VAL A 36 12.121 11.290 -14.933 1.00 28.62 C ATOM 560 C VAL A 36 13.119 10.119 -14.758 1.00 27.04 C ATOM 561 O VAL A 36 13.309 9.575 -13.632 1.00 26.10 O ATOM 562 CB VAL A 36 10.760 10.758 -15.435 1.00 33.94 C ATOM 563 CG1 VAL A 36 10.189 9.702 -14.511 1.00 41.51 C ATOM 564 CG2 VAL A 36 9.777 11.904 -15.556 1.00 40.91 C ATOM 565 HA VAL A 36 11.969 11.779 -13.971 1.00 0.00 H ATOM 566 HB VAL A 36 10.925 10.298 -16.409 1.00 0.00 H ATOM 567 HG11 VAL A 36 10.882 8.863 -14.449 1.00 0.00 H ATOM 568 HG12 VAL A 36 10.044 10.129 -13.519 1.00 0.00 H ATOM 569 HG13 VAL A 36 9.232 9.357 -14.903 1.00 0.00 H ATOM 570 HG21 VAL A 36 9.645 12.372 -14.581 1.00 0.00 H ATOM 571 HG22 VAL A 36 10.162 12.638 -16.264 1.00 0.00 H ATOM 572 HG23 VAL A 36 8.819 11.523 -15.910 1.00 0.00 H ATOM 573 H VAL A 36 12.175 12.405 -16.785 1.00 0.00 H ATOM 574 N ILE A 37 13.780 9.757 -15.848 1.00 23.71 N ATOM 575 CA ILE A 37 14.725 8.647 -15.815 1.00 26.25 C ATOM 576 C ILE A 37 15.982 8.979 -15.003 1.00 22.06 C ATOM 577 O ILE A 37 16.415 8.147 -14.196 1.00 25.92 O ATOM 578 CB ILE A 37 15.046 8.131 -17.222 1.00 28.84 C ATOM 579 CG1 ILE A 37 13.774 7.504 -17.826 1.00 30.55 C ATOM 580 CG2 ILE A 37 16.241 7.181 -17.180 1.00 25.58 C ATOM 581 CD1 ILE A 37 13.873 7.260 -19.304 1.00 32.92 C ATOM 582 HA ILE A 37 14.237 7.826 -15.289 1.00 0.00 H ATOM 583 HB ILE A 37 15.344 8.950 -17.877 1.00 0.00 H ATOM 584 HG12 ILE A 37 13.589 6.551 -17.330 1.00 0.00 H ATOM 585 HG13 ILE A 37 12.936 8.177 -17.642 1.00 0.00 H ATOM 586 HD11 ILE A 37 14.047 8.206 -19.816 1.00 0.00 H ATOM 587 HD12 ILE A 37 14.701 6.579 -19.504 1.00 0.00 H ATOM 588 HD13 ILE A 37 12.943 6.818 -19.661 1.00 0.00 H ATOM 589 HG21 ILE A 37 17.110 7.709 -16.788 1.00 0.00 H ATOM 590 HG22 ILE A 37 16.008 6.334 -16.535 1.00 0.00 H ATOM 591 HG23 ILE A 37 16.455 6.824 -18.187 1.00 0.00 H ATOM 592 H ILE A 37 13.623 10.271 -16.738 1.00 0.00 H ATOM 593 N PRO A 38 16.560 10.167 -15.199 1.00 25.17 N ATOM 594 CA PRO A 38 17.682 10.513 -14.346 1.00 25.76 C ATOM 595 C PRO A 38 17.337 10.562 -12.847 1.00 23.10 C ATOM 596 O PRO A 38 18.135 10.115 -12.011 1.00 23.91 O ATOM 597 CB PRO A 38 18.076 11.919 -14.848 1.00 27.38 C ATOM 598 CG PRO A 38 17.743 11.876 -16.293 1.00 33.32 C ATOM 599 CD PRO A 38 16.498 11.041 -16.402 1.00 28.11 C ATOM 600 HA PRO A 38 18.471 9.764 -14.411 1.00 0.00 H ATOM 601 HD3 PRO A 38 15.606 11.667 -16.384 1.00 0.00 H ATOM 602 HD2 PRO A 38 16.505 10.447 -17.316 1.00 0.00 H ATOM 603 HG3 PRO A 38 18.557 11.420 -16.857 1.00 0.00 H ATOM 604 HG2 PRO A 38 17.560 12.882 -16.671 1.00 0.00 H ATOM 605 HB2 PRO A 38 17.500 12.691 -14.338 1.00 0.00 H ATOM 606 HB3 PRO A 38 19.140 12.103 -14.698 1.00 0.00 H ATOM 607 N MET A 39 16.166 11.104 -12.525 1.00 25.43 N ATOM 608 CA MET A 39 15.665 11.127 -11.148 1.00 26.10 C ATOM 609 C MET A 39 15.516 9.692 -10.617 1.00 25.47 C ATOM 610 O MET A 39 16.000 9.364 -9.511 1.00 22.23 O ATOM 611 CB MET A 39 14.318 11.898 -11.076 1.00 31.81 C ATOM 612 CG MET A 39 14.465 13.423 -11.031 1.00 36.32 C ATOM 613 SD MET A 39 15.368 13.999 -9.551 1.00 47.51 S ATOM 614 CE MET A 39 14.796 12.966 -8.184 1.00 51.03 C ATOM 615 HA MET A 39 16.383 11.650 -10.516 1.00 0.00 H ATOM 616 HB2 MET A 39 13.728 11.638 -11.955 1.00 0.00 H ATOM 617 HB3 MET A 39 13.790 11.579 -10.178 1.00 0.00 H ATOM 618 HG2 MET A 39 13.471 13.870 -11.030 1.00 0.00 H ATOM 619 HG3 MET A 39 15.007 13.748 -11.919 1.00 0.00 H ATOM 620 HE1 MET A 39 13.720 13.090 -8.062 1.00 0.00 H ATOM 621 HE2 MET A 39 15.020 11.922 -8.401 1.00 0.00 H ATOM 622 HE3 MET A 39 15.304 13.265 -7.267 1.00 0.00 H ATOM 623 H MET A 39 15.585 11.527 -13.277 1.00 0.00 H ATOM 624 N PHE A 40 14.831 8.840 -11.383 1.00 23.04 N ATOM 625 CA PHE A 40 14.642 7.415 -10.972 1.00 21.56 C ATOM 626 C PHE A 40 15.967 6.713 -10.630 1.00 19.09 C ATOM 627 O PHE A 40 16.114 6.014 -9.585 1.00 18.91 O ATOM 628 CB PHE A 40 13.929 6.619 -12.095 1.00 19.95 C ATOM 629 CG PHE A 40 13.760 5.186 -11.757 1.00 21.94 C ATOM 630 CD1 PHE A 40 12.871 4.815 -10.768 1.00 22.68 C ATOM 631 CD2 PHE A 40 14.510 4.206 -12.388 1.00 25.62 C ATOM 632 CE1 PHE A 40 12.726 3.475 -10.428 1.00 27.21 C ATOM 633 CE2 PHE A 40 14.366 2.864 -12.045 1.00 24.42 C ATOM 634 CZ PHE A 40 13.482 2.508 -11.071 1.00 22.48 C ATOM 635 HA PHE A 40 14.029 7.434 -10.071 1.00 0.00 H ATOM 636 HB2 PHE A 40 12.945 7.057 -12.263 1.00 0.00 H ATOM 637 HB3 PHE A 40 14.520 6.696 -13.007 1.00 0.00 H ATOM 638 HD2 PHE A 40 15.222 4.489 -13.163 1.00 0.00 H ATOM 639 HE2 PHE A 40 14.957 2.102 -12.553 1.00 0.00 H ATOM 640 HZ PHE A 40 13.369 1.459 -10.797 1.00 0.00 H ATOM 641 HE1 PHE A 40 12.016 3.184 -9.654 1.00 0.00 H ATOM 642 HD1 PHE A 40 12.282 5.574 -10.253 1.00 0.00 H ATOM 643 H PHE A 40 14.422 9.173 -12.280 1.00 0.00 H ATOM 644 N SER A 41 16.935 6.882 -11.530 1.00 20.86 N ATOM 645 CA SER A 41 18.250 6.248 -11.403 1.00 21.68 C ATOM 646 C SER A 41 18.968 6.795 -10.158 1.00 24.55 C ATOM 647 O SER A 41 19.501 6.033 -9.352 1.00 24.68 O ATOM 648 CB SER A 41 19.068 6.492 -12.659 1.00 23.81 C ATOM 649 OG SER A 41 20.370 5.923 -12.558 1.00 30.64 O ATOM 650 HA SER A 41 18.127 5.171 -11.285 1.00 0.00 H ATOM 651 HB2 SER A 41 19.163 7.566 -12.816 1.00 0.00 H ATOM 652 HB3 SER A 41 18.552 6.046 -13.509 1.00 0.00 H ATOM 653 HG SER A 41 20.872 6.101 -13.392 1.00 0.00 H ATOM 654 H SER A 41 16.750 7.488 -12.355 1.00 0.00 H ATOM 655 N ALA A 42 18.985 8.115 -10.013 1.00 24.92 N ATOM 656 CA ALA A 42 19.612 8.731 -8.835 1.00 28.41 C ATOM 657 C ALA A 42 18.948 8.234 -7.513 1.00 27.92 C ATOM 658 O ALA A 42 19.626 7.910 -6.552 1.00 34.38 O ATOM 659 CB ALA A 42 19.580 10.277 -8.960 1.00 26.47 C ATOM 660 HA ALA A 42 20.656 8.421 -8.793 1.00 0.00 H ATOM 661 HB1 ALA A 42 20.125 10.579 -9.855 1.00 0.00 H ATOM 662 HB2 ALA A 42 18.546 10.613 -9.032 1.00 0.00 H ATOM 663 HB3 ALA A 42 20.047 10.721 -8.081 1.00 0.00 H ATOM 664 H ALA A 42 18.550 8.719 -10.740 1.00 0.00 H ATOM 665 N LEU A 43 17.623 8.116 -7.487 1.00 25.71 N ATOM 666 CA LEU A 43 16.908 7.724 -6.274 1.00 25.90 C ATOM 667 C LEU A 43 17.014 6.238 -5.964 1.00 27.29 C ATOM 668 O LEU A 43 16.635 5.798 -4.887 1.00 25.86 O ATOM 669 CB LEU A 43 15.429 8.105 -6.358 1.00 24.51 C ATOM 670 CG LEU A 43 15.163 9.585 -6.254 1.00 28.40 C ATOM 671 CD1 LEU A 43 13.711 9.888 -6.634 1.00 23.52 C ATOM 672 CD2 LEU A 43 15.527 10.058 -4.842 1.00 35.08 C ATOM 673 HA LEU A 43 17.393 8.270 -5.465 1.00 0.00 H ATOM 674 HB2 LEU A 43 15.040 7.754 -7.314 1.00 0.00 H ATOM 675 HB3 LEU A 43 14.901 7.605 -5.546 1.00 0.00 H ATOM 676 HG LEU A 43 15.785 10.139 -6.957 1.00 0.00 H ATOM 677 HD21 LEU A 43 14.919 9.522 -4.113 1.00 0.00 H ATOM 678 HD22 LEU A 43 16.582 9.859 -4.654 1.00 0.00 H ATOM 679 HD23 LEU A 43 15.337 11.128 -4.759 1.00 0.00 H ATOM 680 HD11 LEU A 43 13.529 9.563 -7.658 1.00 0.00 H ATOM 681 HD12 LEU A 43 13.041 9.356 -5.958 1.00 0.00 H ATOM 682 HD13 LEU A 43 13.532 10.960 -6.555 1.00 0.00 H ATOM 683 H LEU A 43 17.081 8.308 -8.354 1.00 0.00 H ATOM 684 N SER A 44 17.485 5.460 -6.916 1.00 24.01 N ATOM 685 CA SER A 44 17.491 4.007 -6.755 1.00 29.30 C ATOM 686 C SER A 44 18.928 3.426 -6.742 1.00 26.91 C ATOM 687 O SER A 44 19.141 2.238 -7.020 1.00 25.33 O ATOM 688 CB SER A 44 16.642 3.386 -7.863 1.00 27.11 C ATOM 689 OG SER A 44 17.251 3.617 -9.095 1.00 27.11 O ATOM 690 HA SER A 44 17.060 3.758 -5.785 1.00 0.00 H ATOM 691 HB2 SER A 44 15.649 3.836 -7.857 1.00 0.00 H ATOM 692 HB3 SER A 44 16.554 2.313 -7.696 1.00 0.00 H ATOM 693 HG SER A 44 17.330 4.592 -9.245 1.00 0.00 H ATOM 694 H SER A 44 17.856 5.883 -7.791 1.00 0.00 H ATOM 695 N GLU A 45 19.902 4.259 -6.368 1.00 26.04 N ATOM 696 CA GLU A 45 21.287 3.833 -6.213 1.00 24.65 C ATOM 697 C GLU A 45 21.362 2.639 -5.274 1.00 23.12 C ATOM 698 O GLU A 45 20.824 2.694 -4.178 1.00 22.93 O ATOM 699 CB GLU A 45 22.147 4.984 -5.656 1.00 32.11 C ATOM 700 CG GLU A 45 23.501 5.084 -6.326 1.00 42.71 C ATOM 701 CD GLU A 45 23.401 5.755 -7.693 1.00 54.21 C ATOM 702 OE1 GLU A 45 23.069 6.981 -7.753 1.00 79.13 O ATOM 703 OE2 GLU A 45 23.632 5.057 -8.709 1.00 69.31 O ATOM 704 HA GLU A 45 21.672 3.548 -7.192 1.00 0.00 H ATOM 705 HB2 GLU A 45 21.613 5.922 -5.807 1.00 0.00 H ATOM 706 HB3 GLU A 45 22.298 4.821 -4.589 1.00 0.00 H ATOM 707 HG2 GLU A 45 24.168 5.669 -5.692 1.00 0.00 H ATOM 708 HG3 GLU A 45 23.909 4.081 -6.452 1.00 0.00 H ATOM 709 H GLU A 45 19.662 5.253 -6.179 1.00 0.00 H ATOM 710 N GLY A 46 21.990 1.552 -5.712 1.00 23.36 N ATOM 711 CA GLY A 46 22.128 0.347 -4.847 1.00 23.77 C ATOM 712 C GLY A 46 20.833 -0.422 -4.532 1.00 23.28 C ATOM 713 O GLY A 46 20.858 -1.325 -3.700 1.00 20.51 O ATOM 714 HA3 GLY A 46 22.563 0.666 -3.900 1.00 0.00 H ATOM 715 HA2 GLY A 46 22.810 -0.342 -5.345 1.00 0.00 H ATOM 716 H GLY A 46 22.390 1.543 -6.672 1.00 0.00 H ATOM 717 N ALA A 47 19.720 -0.119 -5.231 1.00 18.58 N ATOM 718 CA ALA A 47 18.406 -0.649 -4.888 1.00 20.10 C ATOM 719 C ALA A 47 18.380 -2.150 -5.053 1.00 19.43 C ATOM 720 O ALA A 47 19.020 -2.698 -5.991 1.00 17.88 O ATOM 721 CB ALA A 47 17.323 -0.020 -5.764 1.00 23.31 C ATOM 722 HA ALA A 47 18.207 -0.401 -3.846 1.00 0.00 H ATOM 723 HB1 ALA A 47 17.318 1.060 -5.614 1.00 0.00 H ATOM 724 HB2 ALA A 47 17.530 -0.242 -6.811 1.00 0.00 H ATOM 725 HB3 ALA A 47 16.351 -0.431 -5.490 1.00 0.00 H ATOM 726 H ALA A 47 19.803 0.519 -6.048 1.00 0.00 H ATOM 727 N THR A 48 17.647 -2.815 -4.159 1.00 17.39 N ATOM 728 CA THR A 48 17.334 -4.244 -4.319 1.00 20.15 C ATOM 729 C THR A 48 16.093 -4.300 -5.220 1.00 19.35 C ATOM 730 O THR A 48 15.419 -3.280 -5.392 1.00 17.11 O ATOM 731 CB THR A 48 16.985 -4.885 -2.975 1.00 21.28 C ATOM 732 OG1 THR A 48 15.829 -4.220 -2.453 1.00 22.72 O ATOM 733 CG2 THR A 48 18.113 -4.740 -1.945 1.00 20.48 C ATOM 734 HA THR A 48 18.189 -4.778 -4.734 1.00 0.00 H ATOM 735 HB THR A 48 16.815 -5.948 -3.146 1.00 0.00 H ATOM 736 HG1 THR A 48 15.585 -4.620 -1.581 1.00 0.00 H ATOM 737 HG23 THR A 48 19.009 -5.238 -2.316 1.00 0.00 H ATOM 738 HG21 THR A 48 18.324 -3.683 -1.785 1.00 0.00 H ATOM 739 HG22 THR A 48 17.805 -5.197 -1.004 1.00 0.00 H ATOM 740 H THR A 48 17.286 -2.309 -3.325 1.00 0.00 H ATOM 741 N PRO A 49 15.767 -5.485 -5.783 1.00 18.65 N ATOM 742 CA PRO A 49 14.448 -5.596 -6.442 1.00 18.46 C ATOM 743 C PRO A 49 13.268 -5.225 -5.531 1.00 18.83 C ATOM 744 O PRO A 49 12.337 -4.588 -5.976 1.00 17.21 O ATOM 745 CB PRO A 49 14.398 -7.075 -6.885 1.00 18.51 C ATOM 746 CG PRO A 49 15.837 -7.388 -7.165 1.00 17.80 C ATOM 747 CD PRO A 49 16.625 -6.663 -6.079 1.00 18.37 C ATOM 748 HA PRO A 49 14.347 -4.892 -7.268 1.00 0.00 H ATOM 749 HD3 PRO A 49 16.748 -7.291 -5.197 1.00 0.00 H ATOM 750 HD2 PRO A 49 17.605 -6.354 -6.444 1.00 0.00 H ATOM 751 HG3 PRO A 49 16.122 -7.024 -8.152 1.00 0.00 H ATOM 752 HG2 PRO A 49 16.012 -8.463 -7.111 1.00 0.00 H ATOM 753 HB2 PRO A 49 14.005 -7.710 -6.091 1.00 0.00 H ATOM 754 HB3 PRO A 49 13.788 -7.196 -7.780 1.00 0.00 H ATOM 755 N GLN A 50 13.334 -5.565 -4.254 1.00 18.92 N ATOM 756 CA GLN A 50 12.285 -5.128 -3.292 1.00 23.16 C ATOM 757 C GLN A 50 12.079 -3.586 -3.288 1.00 23.04 C ATOM 758 O GLN A 50 10.936 -3.088 -3.352 1.00 20.88 O ATOM 759 CB GLN A 50 12.643 -5.562 -1.869 1.00 22.63 C ATOM 760 CG GLN A 50 11.518 -5.240 -0.905 1.00 27.87 C ATOM 761 CD GLN A 50 11.925 -5.014 0.556 1.00 40.53 C ATOM 762 OE1 GLN A 50 13.023 -4.521 0.906 1.00 37.18 O ATOM 763 NE2 GLN A 50 11.013 -5.338 1.415 1.00 41.49 N ATOM 764 HA GLN A 50 11.361 -5.603 -3.620 1.00 0.00 H ATOM 765 HB2 GLN A 50 12.825 -6.637 -1.859 1.00 0.00 H ATOM 766 HB3 GLN A 50 13.545 -5.039 -1.552 1.00 0.00 H ATOM 767 HG2 GLN A 50 11.026 -4.334 -1.258 1.00 0.00 H ATOM 768 HG3 GLN A 50 10.811 -6.069 -0.929 1.00 0.00 H ATOM 769 HE22 GLN A 50 10.113 -5.745 1.089 1.00 0.00 H ATOM 770 HE21 GLN A 50 11.180 -5.191 2.431 1.00 0.00 H ATOM 771 H GLN A 50 14.129 -6.145 -3.918 1.00 0.00 H ATOM 772 N ASP A 51 13.194 -2.862 -3.212 1.00 20.29 N ATOM 773 CA ASP A 51 13.215 -1.429 -3.261 1.00 20.16 C ATOM 774 C ASP A 51 12.564 -0.889 -4.499 1.00 19.27 C ATOM 775 O ASP A 51 11.757 0.041 -4.437 1.00 18.54 O ATOM 776 CB ASP A 51 14.653 -0.902 -3.223 1.00 22.83 C ATOM 777 CG ASP A 51 15.342 -1.153 -1.905 1.00 24.02 C ATOM 778 OD1 ASP A 51 14.670 -1.283 -0.858 1.00 25.92 O ATOM 779 OD2 ASP A 51 16.581 -1.236 -1.932 1.00 21.98 O ATOM 780 HA ASP A 51 12.657 -1.093 -2.387 1.00 0.00 H ATOM 781 HB2 ASP A 51 15.223 -1.393 -4.012 1.00 0.00 H ATOM 782 HB3 ASP A 51 14.634 0.172 -3.405 1.00 0.00 H ATOM 783 H ASP A 51 14.100 -3.363 -3.112 1.00 0.00 H ATOM 784 N LEU A 52 12.976 -1.424 -5.641 1.00 19.06 N ATOM 785 CA LEU A 52 12.456 -0.987 -6.921 1.00 18.35 C ATOM 786 C LEU A 52 10.953 -1.181 -7.036 1.00 19.37 C ATOM 787 O LEU A 52 10.260 -0.315 -7.559 1.00 20.77 O ATOM 788 CB LEU A 52 13.194 -1.725 -8.059 1.00 16.82 C ATOM 789 CG LEU A 52 14.681 -1.375 -8.198 1.00 18.52 C ATOM 790 CD1 LEU A 52 15.430 -2.377 -9.062 1.00 17.09 C ATOM 791 CD2 LEU A 52 14.839 0.051 -8.724 1.00 21.14 C ATOM 792 HA LEU A 52 12.636 0.085 -7.005 1.00 0.00 H ATOM 793 HB2 LEU A 52 13.114 -2.797 -7.876 1.00 0.00 H ATOM 794 HB3 LEU A 52 12.699 -1.480 -8.999 1.00 0.00 H ATOM 795 HG LEU A 52 15.131 -1.430 -7.207 1.00 0.00 H ATOM 796 HD21 LEU A 52 14.359 0.132 -9.699 1.00 0.00 H ATOM 797 HD22 LEU A 52 14.371 0.747 -8.028 1.00 0.00 H ATOM 798 HD23 LEU A 52 15.899 0.287 -8.818 1.00 0.00 H ATOM 799 HD11 LEU A 52 15.356 -3.368 -8.614 1.00 0.00 H ATOM 800 HD12 LEU A 52 14.991 -2.394 -10.060 1.00 0.00 H ATOM 801 HD13 LEU A 52 16.478 -2.085 -9.129 1.00 0.00 H ATOM 802 H LEU A 52 13.692 -2.178 -5.617 1.00 0.00 H ATOM 803 N ASN A 53 10.434 -2.311 -6.560 1.00 18.15 N ATOM 804 CA ASN A 53 8.995 -2.548 -6.631 1.00 21.51 C ATOM 805 C ASN A 53 8.181 -1.632 -5.702 1.00 22.90 C ATOM 806 O ASN A 53 7.087 -1.198 -6.060 1.00 21.89 O ATOM 807 CB ASN A 53 8.692 -3.973 -6.332 1.00 20.55 C ATOM 808 CG ASN A 53 9.121 -4.888 -7.440 1.00 18.24 C ATOM 809 OD1 ASN A 53 9.023 -4.551 -8.606 1.00 19.25 O ATOM 810 ND2 ASN A 53 9.661 -6.044 -7.060 1.00 20.97 N ATOM 811 HA ASN A 53 8.693 -2.309 -7.651 1.00 0.00 H ATOM 812 HB2 ASN A 53 9.213 -4.259 -5.419 1.00 0.00 H ATOM 813 HB3 ASN A 53 7.617 -4.080 -6.184 1.00 0.00 H ATOM 814 HD22 ASN A 53 9.720 -6.283 -6.050 1.00 0.00 H ATOM 815 HD21 ASN A 53 10.024 -6.708 -7.774 1.00 0.00 H ATOM 816 H ASN A 53 11.056 -3.028 -6.136 1.00 0.00 H ATOM 817 N THR A 54 8.777 -1.270 -4.571 1.00 22.29 N ATOM 818 CA THR A 54 8.191 -0.255 -3.674 1.00 23.92 C ATOM 819 C THR A 54 8.048 1.093 -4.395 1.00 25.37 C ATOM 820 O THR A 54 6.981 1.757 -4.293 1.00 24.27 O ATOM 821 CB THR A 54 9.060 -0.156 -2.410 1.00 28.15 C ATOM 822 OG1 THR A 54 8.988 -1.397 -1.676 1.00 27.43 O ATOM 823 CG2 THR A 54 8.619 0.941 -1.510 1.00 33.52 C ATOM 824 HA THR A 54 7.184 -0.550 -3.379 1.00 0.00 H ATOM 825 HB THR A 54 10.079 0.052 -2.736 1.00 0.00 H ATOM 826 HG1 THR A 54 9.548 -1.331 -0.863 1.00 0.00 H ATOM 827 HG23 THR A 54 8.666 1.889 -2.045 1.00 0.00 H ATOM 828 HG21 THR A 54 7.595 0.755 -1.187 1.00 0.00 H ATOM 829 HG22 THR A 54 9.274 0.981 -0.640 1.00 0.00 H ATOM 830 H THR A 54 9.681 -1.714 -4.311 1.00 0.00 H ATOM 831 N MET A 55 9.091 1.492 -5.149 1.00 19.27 N ATOM 832 CA MET A 55 9.041 2.703 -5.944 1.00 21.06 C ATOM 833 C MET A 55 7.988 2.627 -7.051 1.00 24.00 C ATOM 834 O MET A 55 7.228 3.603 -7.320 1.00 25.28 O ATOM 835 CB MET A 55 10.402 2.976 -6.584 1.00 20.02 C ATOM 836 CG MET A 55 11.520 3.304 -5.555 1.00 25.84 C ATOM 837 SD MET A 55 13.127 3.511 -6.377 1.00 23.12 S ATOM 838 CE MET A 55 12.981 5.205 -6.896 1.00 26.62 C ATOM 839 HA MET A 55 8.770 3.511 -5.265 1.00 0.00 H ATOM 840 HB2 MET A 55 10.701 2.093 -7.148 1.00 0.00 H ATOM 841 HB3 MET A 55 10.300 3.822 -7.264 1.00 0.00 H ATOM 842 HG2 MET A 55 11.591 2.489 -4.834 1.00 0.00 H ATOM 843 HG3 MET A 55 11.265 4.227 -5.034 1.00 0.00 H ATOM 844 HE1 MET A 55 12.123 5.307 -7.561 1.00 0.00 H ATOM 845 HE2 MET A 55 12.842 5.841 -6.022 1.00 0.00 H ATOM 846 HE3 MET A 55 13.888 5.502 -7.422 1.00 0.00 H ATOM 847 H MET A 55 9.956 0.915 -5.161 1.00 0.00 H ATOM 848 N LEU A 56 7.966 1.492 -7.727 1.00 22.50 N ATOM 849 CA LEU A 56 7.037 1.330 -8.885 1.00 22.63 C ATOM 850 C LEU A 56 5.566 1.364 -8.503 1.00 26.86 C ATOM 851 O LEU A 56 4.723 1.989 -9.202 1.00 28.85 O ATOM 852 CB LEU A 56 7.391 0.085 -9.678 1.00 21.40 C ATOM 853 CG LEU A 56 8.679 0.351 -10.486 1.00 19.53 C ATOM 854 CD1 LEU A 56 9.067 -0.938 -11.174 1.00 25.86 C ATOM 855 CD2 LEU A 56 8.571 1.513 -11.448 1.00 20.91 C ATOM 856 HA LEU A 56 7.179 2.202 -9.523 1.00 0.00 H ATOM 857 HB2 LEU A 56 7.554 -0.749 -8.995 1.00 0.00 H ATOM 858 HB3 LEU A 56 6.576 -0.158 -10.359 1.00 0.00 H ATOM 859 HG LEU A 56 9.465 0.662 -9.798 1.00 0.00 H ATOM 860 HD21 LEU A 56 7.775 1.316 -12.166 1.00 0.00 H ATOM 861 HD22 LEU A 56 8.345 2.423 -10.893 1.00 0.00 H ATOM 862 HD23 LEU A 56 9.516 1.634 -11.977 1.00 0.00 H ATOM 863 HD11 LEU A 56 9.242 -1.710 -10.425 1.00 0.00 H ATOM 864 HD12 LEU A 56 8.261 -1.251 -11.838 1.00 0.00 H ATOM 865 HD13 LEU A 56 9.976 -0.779 -11.754 1.00 0.00 H ATOM 866 H LEU A 56 8.596 0.711 -7.453 1.00 0.00 H ATOM 867 N ASN A 57 5.273 0.756 -7.369 1.00 22.58 N ATOM 868 CA ASN A 57 3.922 0.675 -6.890 1.00 26.53 C ATOM 869 C ASN A 57 3.350 1.972 -6.346 1.00 31.56 C ATOM 870 O ASN A 57 2.173 2.030 -6.100 1.00 34.93 O ATOM 871 CB ASN A 57 3.758 -0.498 -5.901 1.00 28.27 C ATOM 872 CG ASN A 57 3.682 -1.858 -6.617 1.00 28.63 C ATOM 873 OD1 ASN A 57 3.185 -1.972 -7.763 1.00 31.03 O ATOM 874 ND2 ASN A 57 4.181 -2.877 -5.965 1.00 26.94 N ATOM 875 HA ASN A 57 3.315 0.475 -7.773 1.00 0.00 H ATOM 876 HB2 ASN A 57 4.610 -0.506 -5.222 1.00 0.00 H ATOM 877 HB3 ASN A 57 2.841 -0.350 -5.330 1.00 0.00 H ATOM 878 HD22 ASN A 57 4.584 -2.740 -5.016 1.00 0.00 H ATOM 879 HD21 ASN A 57 4.174 -3.824 -6.396 1.00 0.00 H ATOM 880 H ASN A 57 6.037 0.326 -6.810 1.00 0.00 H ATOM 881 N THR A 58 4.178 3.002 -6.210 1.00 31.04 N ATOM 882 CA THR A 58 3.714 4.314 -5.792 1.00 31.63 C ATOM 883 C THR A 58 3.114 5.061 -6.989 1.00 33.17 C ATOM 884 O THR A 58 2.414 6.054 -6.816 1.00 41.67 O ATOM 885 CB THR A 58 4.823 5.179 -5.137 1.00 30.89 C ATOM 886 OG1 THR A 58 5.813 5.542 -6.094 1.00 30.83 O ATOM 887 CG2 THR A 58 5.509 4.448 -3.946 1.00 28.75 C ATOM 888 HA THR A 58 2.954 4.146 -5.028 1.00 0.00 H ATOM 889 HB THR A 58 4.334 6.075 -4.755 1.00 0.00 H ATOM 890 HG1 THR A 58 6.225 4.723 -6.467 1.00 0.00 H ATOM 891 HG23 THR A 58 4.755 4.168 -3.210 1.00 0.00 H ATOM 892 HG21 THR A 58 6.012 3.553 -4.312 1.00 0.00 H ATOM 893 HG22 THR A 58 6.239 5.113 -3.485 1.00 0.00 H ATOM 894 H THR A 58 5.190 2.865 -6.409 1.00 0.00 H ATOM 895 N VAL A 59 3.402 4.585 -8.190 1.00 33.68 N ATOM 896 CA VAL A 59 2.908 5.235 -9.375 1.00 32.32 C ATOM 897 C VAL A 59 1.396 4.987 -9.434 1.00 39.47 C ATOM 898 O VAL A 59 0.923 3.837 -9.522 1.00 39.90 O ATOM 899 CB VAL A 59 3.607 4.780 -10.666 1.00 30.88 C ATOM 900 CG1 VAL A 59 3.030 5.579 -11.868 1.00 36.38 C ATOM 901 CG2 VAL A 59 5.124 4.963 -10.549 1.00 31.15 C ATOM 902 HA VAL A 59 3.128 6.301 -9.311 1.00 0.00 H ATOM 903 HB VAL A 59 3.420 3.719 -10.829 1.00 0.00 H ATOM 904 HG11 VAL A 59 1.959 5.393 -11.946 1.00 0.00 H ATOM 905 HG12 VAL A 59 3.205 6.644 -11.712 1.00 0.00 H ATOM 906 HG13 VAL A 59 3.523 5.259 -12.786 1.00 0.00 H ATOM 907 HG21 VAL A 59 5.349 6.015 -10.376 1.00 0.00 H ATOM 908 HG22 VAL A 59 5.497 4.368 -9.715 1.00 0.00 H ATOM 909 HG23 VAL A 59 5.601 4.635 -11.473 1.00 0.00 H ATOM 910 H VAL A 59 3.991 3.733 -8.278 1.00 0.00 H ATOM 911 N GLY A 60 0.641 6.068 -9.277 1.00 45.15 N ATOM 912 CA GLY A 60 -0.808 6.011 -9.486 1.00 42.16 C ATOM 913 C GLY A 60 -1.153 6.754 -10.753 1.00 51.67 C ATOM 914 O GLY A 60 -0.392 7.649 -11.186 1.00 51.98 O ATOM 915 HA3 GLY A 60 -1.318 6.474 -8.641 1.00 0.00 H ATOM 916 HA2 GLY A 60 -1.124 4.972 -9.574 1.00 0.00 H ATOM 917 H GLY A 60 1.084 6.968 -9.002 1.00 0.00 H ATOM 918 N GLY A 61 -2.262 6.349 -11.369 1.00 48.09 N ATOM 919 CA GLY A 61 -2.899 7.140 -12.433 1.00 49.38 C ATOM 920 C GLY A 61 -2.189 7.255 -13.774 1.00 55.95 C ATOM 921 O GLY A 61 -2.283 8.307 -14.452 1.00 64.36 O ATOM 922 HA3 GLY A 61 -3.028 8.152 -12.049 1.00 0.00 H ATOM 923 HA2 GLY A 61 -3.877 6.697 -12.623 1.00 0.00 H ATOM 924 H GLY A 61 -2.692 5.444 -11.089 1.00 0.00 H ATOM 925 N HIS A 62 -1.487 6.194 -14.172 1.00 47.73 N ATOM 926 CA HIS A 62 -0.756 6.218 -15.429 1.00 46.20 C ATOM 927 C HIS A 62 -0.837 4.839 -16.043 1.00 46.78 C ATOM 928 O HIS A 62 0.147 4.312 -16.574 1.00 43.86 O ATOM 929 CB HIS A 62 0.712 6.640 -15.186 1.00 46.14 C ATOM 930 CG HIS A 62 0.961 8.114 -15.313 1.00 39.95 C ATOM 931 ND1 HIS A 62 1.247 8.918 -14.223 1.00 48.71 N ATOM 932 CD2 HIS A 62 1.004 8.924 -16.401 1.00 44.96 C ATOM 933 CE1 HIS A 62 1.439 10.160 -14.634 1.00 49.16 C ATOM 934 NE2 HIS A 62 1.307 10.190 -15.952 1.00 51.50 N ATOM 935 HA HIS A 62 -1.192 6.946 -16.112 1.00 0.00 H ATOM 936 HB2 HIS A 62 0.994 6.332 -14.179 1.00 0.00 H ATOM 937 HB3 HIS A 62 1.340 6.124 -15.912 1.00 0.00 H ATOM 938 HD2 HIS A 62 0.831 8.628 -17.436 1.00 0.00 H ATOM 939 HE1 HIS A 62 1.667 11.014 -13.997 1.00 0.00 H ATOM 940 H HIS A 62 -1.462 5.341 -13.578 1.00 0.00 H ATOM 941 N GLN A 63 -2.041 4.295 -16.007 1.00 44.01 N ATOM 942 CA GLN A 63 -2.289 2.852 -16.104 1.00 42.01 C ATOM 943 C GLN A 63 -1.752 2.193 -17.369 1.00 33.93 C ATOM 944 O GLN A 63 -1.247 1.051 -17.308 1.00 43.12 O ATOM 945 CB GLN A 63 -3.810 2.550 -15.988 1.00 44.17 C ATOM 946 CG GLN A 63 -4.449 2.899 -14.644 1.00 51.10 C ATOM 947 CD GLN A 63 -4.802 4.386 -14.481 1.00 55.71 C ATOM 948 OE1 GLN A 63 -4.937 5.136 -15.466 1.00 63.53 O ATOM 949 NE2 GLN A 63 -4.956 4.813 -13.229 1.00 56.88 N ATOM 950 HA GLN A 63 -1.736 2.420 -15.270 1.00 0.00 H ATOM 951 HB2 GLN A 63 -4.325 3.117 -16.763 1.00 0.00 H ATOM 952 HB3 GLN A 63 -3.955 1.484 -16.163 1.00 0.00 H ATOM 953 HG2 GLN A 63 -5.364 2.317 -14.539 1.00 0.00 H ATOM 954 HG3 GLN A 63 -3.752 2.624 -13.852 1.00 0.00 H ATOM 955 HE22 GLN A 63 -4.834 4.152 -12.435 1.00 0.00 H ATOM 956 HE21 GLN A 63 -5.198 5.807 -13.045 1.00 0.00 H ATOM 957 H GLN A 63 -2.861 4.927 -15.904 1.00 0.00 H ATOM 958 N ALA A 64 -1.862 2.888 -18.507 1.00 43.35 N ATOM 959 CA ALA A 64 -1.349 2.349 -19.775 1.00 40.52 C ATOM 960 C ALA A 64 0.181 2.218 -19.734 1.00 44.64 C ATOM 961 O ALA A 64 0.729 1.142 -19.991 1.00 41.00 O ATOM 962 CB ALA A 64 -1.772 3.227 -20.939 1.00 49.51 C ATOM 963 HA ALA A 64 -1.775 1.356 -19.916 1.00 0.00 H ATOM 964 HB1 ALA A 64 -2.860 3.266 -20.986 1.00 0.00 H ATOM 965 HB2 ALA A 64 -1.377 4.233 -20.796 1.00 0.00 H ATOM 966 HB3 ALA A 64 -1.382 2.810 -21.867 1.00 0.00 H ATOM 967 H ALA A 64 -2.317 3.823 -18.494 1.00 0.00 H ATOM 968 N ALA A 65 0.853 3.324 -19.407 1.00 40.50 N ATOM 969 CA ALA A 65 2.312 3.329 -19.163 1.00 32.71 C ATOM 970 C ALA A 65 2.789 2.190 -18.298 1.00 29.40 C ATOM 971 O ALA A 65 3.748 1.496 -18.651 1.00 29.56 O ATOM 972 CB ALA A 65 2.745 4.639 -18.525 1.00 32.76 C ATOM 973 HA ALA A 65 2.769 3.207 -20.145 1.00 0.00 H ATOM 974 HB1 ALA A 65 2.495 5.466 -19.190 1.00 0.00 H ATOM 975 HB2 ALA A 65 2.228 4.767 -17.574 1.00 0.00 H ATOM 976 HB3 ALA A 65 3.821 4.620 -18.355 1.00 0.00 H ATOM 977 H ALA A 65 0.330 4.218 -19.320 1.00 0.00 H ATOM 978 N MET A 66 2.167 2.020 -17.142 1.00 27.75 N ATOM 979 CA MET A 66 2.618 0.992 -16.205 1.00 30.54 C ATOM 980 C MET A 66 2.398 -0.419 -16.766 1.00 37.09 C ATOM 981 O MET A 66 3.064 -1.384 -16.353 1.00 39.10 O ATOM 982 CB MET A 66 1.916 1.140 -14.845 1.00 34.34 C ATOM 983 CG MET A 66 2.316 2.353 -14.005 1.00 31.98 C ATOM 984 SD MET A 66 4.097 2.460 -13.660 1.00 34.19 S ATOM 985 CE MET A 66 4.704 3.425 -15.062 1.00 35.68 C ATOM 986 HA MET A 66 3.689 1.134 -16.061 1.00 0.00 H ATOM 987 HB2 MET A 66 0.844 1.202 -15.030 1.00 0.00 H ATOM 988 HB3 MET A 66 2.131 0.245 -14.261 1.00 0.00 H ATOM 989 HG2 MET A 66 1.785 2.302 -13.054 1.00 0.00 H ATOM 990 HG3 MET A 66 2.016 3.254 -14.539 1.00 0.00 H ATOM 991 HE1 MET A 66 4.482 2.896 -15.989 1.00 0.00 H ATOM 992 HE2 MET A 66 4.214 4.398 -15.071 1.00 0.00 H ATOM 993 HE3 MET A 66 5.782 3.560 -14.969 1.00 0.00 H ATOM 994 H MET A 66 1.353 2.621 -16.899 1.00 0.00 H ATOM 995 N GLN A 67 1.462 -0.542 -17.703 1.00 37.22 N ATOM 996 CA GLN A 67 1.233 -1.799 -18.409 1.00 36.75 C ATOM 997 C GLN A 67 2.342 -2.057 -19.425 1.00 30.33 C ATOM 998 O GLN A 67 2.793 -3.174 -19.574 1.00 32.41 O ATOM 999 CB GLN A 67 -0.184 -1.817 -19.042 1.00 37.81 C ATOM 1000 CG GLN A 67 -1.229 -2.265 -18.021 1.00 42.29 C ATOM 1001 CD GLN A 67 -0.936 -3.673 -17.481 1.00 57.21 C ATOM 1002 OE1 GLN A 67 -0.407 -4.557 -18.207 1.00 50.26 O ATOM 1003 NE2 GLN A 67 -1.265 -3.889 -16.187 1.00 53.13 N ATOM 1004 HA GLN A 67 1.269 -2.622 -17.695 1.00 0.00 H ATOM 1005 HB2 GLN A 67 -0.432 -0.815 -19.392 1.00 0.00 H ATOM 1006 HB3 GLN A 67 -0.190 -2.507 -19.886 1.00 0.00 H ATOM 1007 HG2 GLN A 67 -1.233 -1.562 -17.188 1.00 0.00 H ATOM 1008 HG3 GLN A 67 -2.209 -2.267 -18.497 1.00 0.00 H ATOM 1009 HE22 GLN A 67 -1.700 -3.128 -15.627 1.00 0.00 H ATOM 1010 HE21 GLN A 67 -1.083 -4.816 -15.752 1.00 0.00 H ATOM 1011 H GLN A 67 0.875 0.283 -17.940 1.00 0.00 H ATOM 1012 N MET A 68 2.825 -0.990 -20.050 1.00 30.77 N ATOM 1013 CA MET A 68 3.934 -1.054 -20.961 1.00 28.78 C ATOM 1014 C MET A 68 5.185 -1.457 -20.223 1.00 29.80 C ATOM 1015 O MET A 68 5.984 -2.240 -20.723 1.00 32.02 O ATOM 1016 CB MET A 68 4.195 0.301 -21.569 1.00 35.51 C ATOM 1017 CG MET A 68 3.119 0.773 -22.506 1.00 41.69 C ATOM 1018 SD MET A 68 3.617 2.383 -23.129 1.00 60.15 S ATOM 1019 CE MET A 68 5.205 2.058 -23.932 1.00 43.52 C ATOM 1020 HA MET A 68 3.686 -1.780 -21.735 1.00 0.00 H ATOM 1021 HB2 MET A 68 4.288 1.027 -20.761 1.00 0.00 H ATOM 1022 HB3 MET A 68 5.133 0.253 -22.122 1.00 0.00 H ATOM 1023 HG2 MET A 68 2.171 0.856 -21.974 1.00 0.00 H ATOM 1024 HG3 MET A 68 3.010 0.071 -23.333 1.00 0.00 H ATOM 1025 HE1 MET A 68 5.908 1.663 -23.198 1.00 0.00 H ATOM 1026 HE2 MET A 68 5.064 1.330 -24.731 1.00 0.00 H ATOM 1027 HE3 MET A 68 5.597 2.986 -24.349 1.00 0.00 H ATOM 1028 H MET A 68 2.381 -0.067 -19.872 1.00 0.00 H ATOM 1029 N LEU A 69 5.337 -0.918 -19.017 1.00 25.72 N ATOM 1030 CA LEU A 69 6.444 -1.286 -18.166 1.00 25.01 C ATOM 1031 C LEU A 69 6.424 -2.769 -17.793 1.00 22.32 C ATOM 1032 O LEU A 69 7.447 -3.459 -17.911 1.00 20.73 O ATOM 1033 CB LEU A 69 6.438 -0.395 -16.948 1.00 29.00 C ATOM 1034 CG LEU A 69 7.615 -0.589 -16.033 1.00 28.42 C ATOM 1035 CD1 LEU A 69 8.921 -0.465 -16.799 1.00 23.82 C ATOM 1036 CD2 LEU A 69 7.503 0.435 -14.934 1.00 30.49 C ATOM 1037 HA LEU A 69 7.374 -1.138 -18.714 1.00 0.00 H ATOM 1038 HB2 LEU A 69 6.433 0.642 -17.283 1.00 0.00 H ATOM 1039 HB3 LEU A 69 5.529 -0.596 -16.382 1.00 0.00 H ATOM 1040 HG LEU A 69 7.612 -1.590 -15.602 1.00 0.00 H ATOM 1041 HD21 LEU A 69 7.516 1.435 -15.368 1.00 0.00 H ATOM 1042 HD22 LEU A 69 6.569 0.285 -14.393 1.00 0.00 H ATOM 1043 HD23 LEU A 69 8.343 0.324 -14.249 1.00 0.00 H ATOM 1044 HD11 LEU A 69 8.955 -1.223 -17.582 1.00 0.00 H ATOM 1045 HD12 LEU A 69 8.984 0.526 -17.248 1.00 0.00 H ATOM 1046 HD13 LEU A 69 9.757 -0.609 -16.115 1.00 0.00 H ATOM 1047 H LEU A 69 4.645 -0.218 -18.680 1.00 0.00 H ATOM 1048 N LYS A 70 5.271 -3.273 -17.394 1.00 22.43 N ATOM 1049 CA LYS A 70 5.121 -4.727 -17.141 1.00 22.87 C ATOM 1050 C LYS A 70 5.470 -5.598 -18.361 1.00 22.55 C ATOM 1051 O LYS A 70 6.146 -6.640 -18.239 1.00 22.01 O ATOM 1052 CB LYS A 70 3.694 -5.034 -16.672 1.00 30.11 C ATOM 1053 CG LYS A 70 3.380 -4.551 -15.272 1.00 33.90 C ATOM 1054 CD LYS A 70 1.915 -4.762 -14.903 1.00 38.25 C ATOM 1055 CE LYS A 70 1.531 -3.838 -13.758 1.00 43.69 C ATOM 1056 NZ LYS A 70 0.924 -4.597 -12.637 1.00 53.63 N ATOM 1057 HA LYS A 70 5.837 -4.981 -16.360 1.00 0.00 H ATOM 1058 HB2 LYS A 70 2.998 -4.557 -17.362 1.00 0.00 H ATOM 1059 HB3 LYS A 70 3.550 -6.114 -16.701 1.00 0.00 H ATOM 1060 HG2 LYS A 70 4.003 -5.098 -14.564 1.00 0.00 H ATOM 1061 HG3 LYS A 70 3.608 -3.487 -15.208 1.00 0.00 H ATOM 1062 HD2 LYS A 70 1.289 -4.545 -15.769 1.00 0.00 H ATOM 1063 HD3 LYS A 70 1.764 -5.798 -14.598 1.00 0.00 H ATOM 1064 HE2 LYS A 70 0.813 -3.102 -14.120 1.00 0.00 H ATOM 1065 HE3 LYS A 70 2.424 -3.326 -13.399 1.00 0.00 H ATOM 1066 HZ1 LYS A 70 0.068 -5.084 -12.973 1.00 0.00 H ATOM 1067 HZ2 LYS A 70 1.607 -5.297 -12.284 1.00 0.00 H ATOM 1068 HZ3 LYS A 70 0.673 -3.940 -11.871 1.00 0.00 H ATOM 1069 H LYS A 70 4.456 -2.642 -17.255 1.00 0.00 H ATOM 1070 N GLU A 71 4.974 -5.212 -19.528 1.00 24.34 N ATOM 1071 CA GLU A 71 5.313 -5.879 -20.809 1.00 23.44 C ATOM 1072 C GLU A 71 6.824 -6.003 -20.989 1.00 27.09 C ATOM 1073 O GLU A 71 7.334 -7.080 -21.347 1.00 24.76 O ATOM 1074 CB GLU A 71 4.720 -5.070 -21.956 1.00 29.57 C ATOM 1075 CG GLU A 71 4.114 -5.796 -23.135 1.00 42.79 C ATOM 1076 CD GLU A 71 3.412 -4.807 -24.108 1.00 53.97 C ATOM 1077 OE1 GLU A 71 2.673 -3.875 -23.641 1.00 45.41 O ATOM 1078 OE2 GLU A 71 3.605 -4.959 -25.351 1.00 63.19 O ATOM 1079 HA GLU A 71 4.896 -6.886 -20.801 1.00 0.00 H ATOM 1080 HB2 GLU A 71 3.937 -4.442 -21.531 1.00 0.00 H ATOM 1081 HB3 GLU A 71 5.518 -4.439 -22.347 1.00 0.00 H ATOM 1082 HG2 GLU A 71 4.903 -6.323 -23.672 1.00 0.00 H ATOM 1083 HG3 GLU A 71 3.381 -6.516 -22.771 1.00 0.00 H ATOM 1084 H GLU A 71 4.318 -4.405 -19.546 1.00 0.00 H ATOM 1085 N THR A 72 7.542 -4.912 -20.724 1.00 26.41 N ATOM 1086 CA THR A 72 9.014 -4.914 -20.892 1.00 24.99 C ATOM 1087 C THR A 72 9.633 -5.860 -19.881 1.00 23.65 C ATOM 1088 O THR A 72 10.512 -6.671 -20.206 1.00 21.35 O ATOM 1089 CB THR A 72 9.582 -3.482 -20.737 1.00 30.01 C ATOM 1090 OG1 THR A 72 9.045 -2.640 -21.791 1.00 29.78 O ATOM 1091 CG2 THR A 72 11.150 -3.470 -20.758 1.00 25.08 C ATOM 1092 HA THR A 72 9.263 -5.259 -21.896 1.00 0.00 H ATOM 1093 HB THR A 72 9.278 -3.092 -19.766 1.00 0.00 H ATOM 1094 HG1 THR A 72 8.058 -2.616 -21.722 1.00 0.00 H ATOM 1095 HG23 THR A 72 11.528 -4.108 -19.959 1.00 0.00 H ATOM 1096 HG21 THR A 72 11.502 -3.843 -21.720 1.00 0.00 H ATOM 1097 HG22 THR A 72 11.506 -2.451 -20.610 1.00 0.00 H ATOM 1098 H THR A 72 7.063 -4.049 -20.395 1.00 0.00 H ATOM 1099 N ILE A 73 9.174 -5.786 -18.632 1.00 20.41 N ATOM 1100 CA ILE A 73 9.712 -6.697 -17.610 1.00 20.94 C ATOM 1101 C ILE A 73 9.503 -8.191 -17.978 1.00 23.28 C ATOM 1102 O ILE A 73 10.417 -9.058 -17.827 1.00 18.74 O ATOM 1103 CB ILE A 73 9.125 -6.355 -16.231 1.00 19.89 C ATOM 1104 CG1 ILE A 73 9.671 -4.996 -15.773 1.00 18.76 C ATOM 1105 CG2 ILE A 73 9.432 -7.425 -15.173 1.00 21.80 C ATOM 1106 CD1 ILE A 73 8.834 -4.347 -14.725 1.00 19.34 C ATOM 1107 HA ILE A 73 10.791 -6.550 -17.568 1.00 0.00 H ATOM 1108 HB ILE A 73 8.041 -6.316 -16.335 1.00 0.00 H ATOM 1109 HG12 ILE A 73 10.674 -5.143 -15.373 1.00 0.00 H ATOM 1110 HG13 ILE A 73 9.719 -4.333 -16.637 1.00 0.00 H ATOM 1111 HD11 ILE A 73 7.829 -4.183 -15.114 1.00 0.00 H ATOM 1112 HD12 ILE A 73 8.785 -4.994 -13.849 1.00 0.00 H ATOM 1113 HD13 ILE A 73 9.278 -3.391 -14.448 1.00 0.00 H ATOM 1114 HG21 ILE A 73 9.009 -8.379 -15.489 1.00 0.00 H ATOM 1115 HG22 ILE A 73 10.512 -7.524 -15.061 1.00 0.00 H ATOM 1116 HG23 ILE A 73 8.993 -7.129 -14.220 1.00 0.00 H ATOM 1117 H ILE A 73 8.442 -5.091 -18.382 1.00 0.00 H ATOM 1118 N ASN A 74 8.302 -8.492 -18.465 1.00 21.09 N ATOM 1119 CA ASN A 74 7.992 -9.843 -18.851 1.00 21.87 C ATOM 1120 C ASN A 74 8.905 -10.282 -19.999 1.00 19.81 C ATOM 1121 O ASN A 74 9.393 -11.416 -19.992 1.00 22.22 O ATOM 1122 CB ASN A 74 6.526 -9.961 -19.278 1.00 24.59 C ATOM 1123 CG ASN A 74 5.570 -9.787 -18.135 1.00 26.26 C ATOM 1124 OD1 ASN A 74 5.900 -10.126 -17.002 1.00 26.93 O ATOM 1125 ND2 ASN A 74 4.366 -9.266 -18.418 1.00 26.49 N ATOM 1126 HA ASN A 74 8.156 -10.493 -17.992 1.00 0.00 H ATOM 1127 HB2 ASN A 74 6.318 -9.195 -20.025 1.00 0.00 H ATOM 1128 HB3 ASN A 74 6.369 -10.947 -19.716 1.00 0.00 H ATOM 1129 HD22 ASN A 74 4.134 -8.994 -19.395 1.00 0.00 H ATOM 1130 HD21 ASN A 74 3.665 -9.134 -17.661 1.00 0.00 H ATOM 1131 H ASN A 74 7.584 -7.747 -18.567 1.00 0.00 H ATOM 1132 N GLU A 75 9.144 -9.391 -20.971 1.00 20.34 N ATOM 1133 CA GLU A 75 9.989 -9.726 -22.125 1.00 21.87 C ATOM 1134 C GLU A 75 11.413 -9.977 -21.699 1.00 20.76 C ATOM 1135 O GLU A 75 12.015 -10.975 -22.050 1.00 20.47 O ATOM 1136 CB GLU A 75 9.971 -8.628 -23.203 1.00 26.62 C ATOM 1137 CG GLU A 75 8.641 -8.560 -23.925 1.00 33.89 C ATOM 1138 CD GLU A 75 8.585 -7.488 -24.983 1.00 43.23 C ATOM 1139 OE1 GLU A 75 9.057 -6.363 -24.753 1.00 44.00 O ATOM 1140 OE2 GLU A 75 8.047 -7.788 -26.056 1.00 54.89 O ATOM 1141 HA GLU A 75 9.569 -10.635 -22.556 1.00 0.00 H ATOM 1142 HB2 GLU A 75 10.163 -7.666 -22.728 1.00 0.00 H ATOM 1143 HB3 GLU A 75 10.756 -8.836 -23.930 1.00 0.00 H ATOM 1144 HG2 GLU A 75 8.456 -9.524 -24.400 1.00 0.00 H ATOM 1145 HG3 GLU A 75 7.860 -8.362 -23.191 1.00 0.00 H ATOM 1146 H GLU A 75 8.722 -8.442 -20.907 1.00 0.00 H ATOM 1147 N GLU A 76 11.945 -9.067 -20.906 1.00 21.56 N ATOM 1148 CA GLU A 76 13.299 -9.218 -20.398 1.00 21.08 C ATOM 1149 C GLU A 76 13.456 -10.457 -19.500 1.00 18.22 C ATOM 1150 O GLU A 76 14.450 -11.171 -19.609 1.00 22.62 O ATOM 1151 CB GLU A 76 13.683 -7.931 -19.659 1.00 21.81 C ATOM 1152 CG GLU A 76 13.819 -6.740 -20.596 1.00 21.61 C ATOM 1153 CD GLU A 76 14.935 -6.888 -21.628 1.00 29.87 C ATOM 1154 OE1 GLU A 76 15.982 -7.552 -21.384 1.00 28.70 O ATOM 1155 OE2 GLU A 76 14.784 -6.294 -22.706 1.00 39.60 O ATOM 1156 HA GLU A 76 13.976 -9.379 -21.237 1.00 0.00 H ATOM 1157 HB2 GLU A 76 12.913 -7.709 -18.920 1.00 0.00 H ATOM 1158 HB3 GLU A 76 14.636 -8.089 -19.153 1.00 0.00 H ATOM 1159 HG2 GLU A 76 12.876 -6.611 -21.127 1.00 0.00 H ATOM 1160 HG3 GLU A 76 14.021 -5.853 -19.996 1.00 0.00 H ATOM 1161 H GLU A 76 11.388 -8.230 -20.640 1.00 0.00 H ATOM 1162 N ALA A 77 12.479 -10.720 -18.637 1.00 18.43 N ATOM 1163 CA ALA A 77 12.516 -11.870 -17.765 1.00 19.16 C ATOM 1164 C ALA A 77 12.488 -13.202 -18.569 1.00 20.52 C ATOM 1165 O ALA A 77 13.224 -14.112 -18.264 1.00 20.93 O ATOM 1166 CB ALA A 77 11.364 -11.824 -16.758 1.00 21.11 C ATOM 1167 HA ALA A 77 13.458 -11.835 -17.217 1.00 0.00 H ATOM 1168 HB1 ALA A 77 11.447 -10.921 -16.154 1.00 0.00 H ATOM 1169 HB2 ALA A 77 10.415 -11.818 -17.294 1.00 0.00 H ATOM 1170 HB3 ALA A 77 11.413 -12.701 -16.112 1.00 0.00 H ATOM 1171 H ALA A 77 11.663 -10.077 -18.589 1.00 0.00 H ATOM 1172 N ALA A 78 11.614 -13.292 -19.563 1.00 22.22 N ATOM 1173 CA ALA A 78 11.551 -14.444 -20.445 1.00 22.84 C ATOM 1174 C ALA A 78 12.902 -14.717 -21.194 1.00 22.67 C ATOM 1175 O ALA A 78 13.398 -15.857 -21.214 1.00 26.42 O ATOM 1176 CB ALA A 78 10.377 -14.299 -21.422 1.00 23.07 C ATOM 1177 HA ALA A 78 11.380 -15.322 -19.822 1.00 0.00 H ATOM 1178 HB1 ALA A 78 9.445 -14.227 -20.861 1.00 0.00 H ATOM 1179 HB2 ALA A 78 10.513 -13.398 -22.020 1.00 0.00 H ATOM 1180 HB3 ALA A 78 10.342 -15.169 -22.077 1.00 0.00 H ATOM 1181 H ALA A 78 10.949 -12.508 -19.716 1.00 0.00 H ATOM 1182 N GLU A 79 13.528 -13.678 -21.738 1.00 20.50 N ATOM 1183 CA GLU A 79 14.841 -13.804 -22.368 1.00 23.13 C ATOM 1184 C GLU A 79 15.932 -14.191 -21.364 1.00 23.35 C ATOM 1185 O GLU A 79 16.825 -14.956 -21.677 1.00 21.69 O ATOM 1186 CB GLU A 79 15.197 -12.491 -23.082 1.00 25.38 C ATOM 1187 CG GLU A 79 16.445 -12.538 -23.910 1.00 32.48 C ATOM 1188 CD GLU A 79 16.281 -13.377 -25.178 1.00 32.16 C ATOM 1189 OE1 GLU A 79 15.230 -13.995 -25.426 1.00 35.97 O ATOM 1190 OE2 GLU A 79 17.221 -13.407 -25.933 1.00 40.48 O ATOM 1191 HA GLU A 79 14.788 -14.612 -23.098 1.00 0.00 H ATOM 1192 HB2 GLU A 79 14.367 -12.226 -23.736 1.00 0.00 H ATOM 1193 HB3 GLU A 79 15.322 -11.717 -22.325 1.00 0.00 H ATOM 1194 HG2 GLU A 79 16.712 -11.521 -24.197 1.00 0.00 H ATOM 1195 HG3 GLU A 79 17.247 -12.967 -23.309 1.00 0.00 H ATOM 1196 H GLU A 79 13.069 -12.745 -21.715 1.00 0.00 H ATOM 1197 N TRP A 80 15.874 -13.635 -20.163 1.00 22.97 N ATOM 1198 CA TRP A 80 16.802 -14.052 -19.094 1.00 19.07 C ATOM 1199 C TRP A 80 16.722 -15.556 -18.893 1.00 17.87 C ATOM 1200 O TRP A 80 17.750 -16.241 -18.900 1.00 22.37 O ATOM 1201 CB TRP A 80 16.482 -13.341 -17.770 1.00 21.43 C ATOM 1202 CG TRP A 80 17.390 -13.812 -16.631 1.00 22.78 C ATOM 1203 CD1 TRP A 80 17.196 -14.896 -15.824 1.00 20.41 C ATOM 1204 CD2 TRP A 80 18.672 -13.258 -16.255 1.00 23.24 C ATOM 1205 NE1 TRP A 80 18.233 -15.013 -14.939 1.00 20.68 N ATOM 1206 CE2 TRP A 80 19.163 -14.043 -15.189 1.00 22.06 C ATOM 1207 CE3 TRP A 80 19.446 -12.179 -16.725 1.00 19.38 C ATOM 1208 CZ2 TRP A 80 20.384 -13.772 -14.549 1.00 20.70 C ATOM 1209 CZ3 TRP A 80 20.662 -11.910 -16.117 1.00 21.95 C ATOM 1210 CH2 TRP A 80 21.123 -12.696 -15.028 1.00 21.30 C ATOM 1211 HA TRP A 80 17.811 -13.775 -19.400 1.00 0.00 H ATOM 1212 HB2 TRP A 80 16.615 -12.268 -17.906 1.00 0.00 H ATOM 1213 HB3 TRP A 80 15.446 -13.546 -17.502 1.00 0.00 H ATOM 1214 HE1 TRP A 80 18.303 -15.731 -14.190 1.00 0.00 H ATOM 1215 HD1 TRP A 80 16.341 -15.569 -15.877 1.00 0.00 H ATOM 1216 HZ2 TRP A 80 20.736 -14.378 -13.714 1.00 0.00 H ATOM 1217 HH2 TRP A 80 22.075 -12.451 -14.558 1.00 0.00 H ATOM 1218 HZ3 TRP A 80 21.273 -11.084 -16.480 1.00 0.00 H ATOM 1219 HE3 TRP A 80 19.094 -11.565 -17.554 1.00 0.00 H ATOM 1220 H TRP A 80 15.167 -12.897 -19.971 1.00 0.00 H ATOM 1221 N ASP A 81 15.516 -16.076 -18.695 1.00 21.54 N ATOM 1222 CA ASP A 81 15.342 -17.525 -18.430 1.00 25.84 C ATOM 1223 C ASP A 81 15.867 -18.366 -19.567 1.00 26.39 C ATOM 1224 O ASP A 81 16.544 -19.369 -19.346 1.00 30.20 O ATOM 1225 CB ASP A 81 13.872 -17.857 -18.130 1.00 26.94 C ATOM 1226 CG ASP A 81 13.450 -17.384 -16.734 1.00 31.32 C ATOM 1227 OD1 ASP A 81 14.335 -17.052 -15.924 1.00 31.65 O ATOM 1228 OD2 ASP A 81 12.251 -17.301 -16.450 1.00 31.76 O ATOM 1229 HA ASP A 81 15.931 -17.769 -17.546 1.00 0.00 H ATOM 1230 HB2 ASP A 81 13.242 -17.368 -18.873 1.00 0.00 H ATOM 1231 HB3 ASP A 81 13.735 -18.937 -18.193 1.00 0.00 H ATOM 1232 H ASP A 81 14.681 -15.457 -18.726 1.00 0.00 H ATOM 1233 N ARG A 82 15.586 -17.935 -20.780 1.00 29.45 N ATOM 1234 CA ARG A 82 15.994 -18.668 -21.995 1.00 30.98 C ATOM 1235 C ARG A 82 17.539 -18.708 -22.105 1.00 32.44 C ATOM 1236 O ARG A 82 18.096 -19.672 -22.571 1.00 33.04 O ATOM 1237 CB ARG A 82 15.335 -17.958 -23.197 1.00 32.23 C ATOM 1238 CG ARG A 82 15.147 -18.752 -24.462 1.00 36.69 C ATOM 1239 CD ARG A 82 14.589 -17.844 -25.559 1.00 33.77 C ATOM 1240 NE ARG A 82 15.522 -16.768 -25.934 1.00 41.25 N ATOM 1241 CZ ARG A 82 16.628 -16.912 -26.682 1.00 47.71 C ATOM 1242 NH1 ARG A 82 17.007 -18.091 -27.153 1.00 50.82 N ATOM 1243 NH2 ARG A 82 17.391 -15.869 -26.962 1.00 43.77 N ATOM 1244 HA ARG A 82 15.666 -19.707 -21.965 1.00 0.00 H ATOM 1245 HB2 ARG A 82 14.350 -17.620 -22.875 1.00 0.00 H ATOM 1246 HB3 ARG A 82 15.952 -17.094 -23.443 1.00 0.00 H ATOM 1247 HG2 ARG A 82 16.106 -19.159 -24.781 1.00 0.00 H ATOM 1248 HG3 ARG A 82 14.450 -19.569 -24.278 1.00 0.00 H ATOM 1249 HD2 ARG A 82 13.662 -17.394 -25.202 1.00 0.00 H ATOM 1250 HD3 ARG A 82 14.381 -18.449 -26.441 1.00 0.00 H ATOM 1251 HE ARG A 82 15.305 -15.811 -25.589 1.00 0.00 H ATOM 1252 HH12 ARG A 82 17.869 -18.168 -27.729 1.00 0.00 H ATOM 1253 HH11 ARG A 82 16.442 -18.939 -26.946 1.00 0.00 H ATOM 1254 HH22 ARG A 82 18.246 -15.991 -27.542 1.00 0.00 H ATOM 1255 HH21 ARG A 82 17.137 -14.927 -26.602 1.00 0.00 H ATOM 1256 H ARG A 82 15.057 -17.046 -20.886 1.00 0.00 H ATOM 1257 N LEU A 83 18.221 -17.674 -21.606 1.00 28.37 N ATOM 1258 CA LEU A 83 19.667 -17.549 -21.686 1.00 24.74 C ATOM 1259 C LEU A 83 20.420 -18.036 -20.421 1.00 29.57 C ATOM 1260 O LEU A 83 21.654 -17.924 -20.335 1.00 29.11 O ATOM 1261 CB LEU A 83 20.062 -16.106 -22.008 1.00 27.96 C ATOM 1262 CG LEU A 83 19.629 -15.524 -23.356 1.00 27.62 C ATOM 1263 CD1 LEU A 83 20.035 -14.068 -23.447 1.00 31.82 C ATOM 1264 CD2 LEU A 83 20.200 -16.343 -24.515 1.00 31.01 C ATOM 1265 HA LEU A 83 19.974 -18.213 -22.494 1.00 0.00 H ATOM 1266 HB2 LEU A 83 19.637 -15.472 -21.230 1.00 0.00 H ATOM 1267 HB3 LEU A 83 21.150 -16.051 -21.966 1.00 0.00 H ATOM 1268 HG LEU A 83 18.543 -15.578 -23.430 1.00 0.00 H ATOM 1269 HD21 LEU A 83 21.289 -16.334 -24.463 1.00 0.00 H ATOM 1270 HD22 LEU A 83 19.840 -17.370 -24.445 1.00 0.00 H ATOM 1271 HD23 LEU A 83 19.877 -15.907 -25.460 1.00 0.00 H ATOM 1272 HD11 LEU A 83 19.556 -13.508 -22.644 1.00 0.00 H ATOM 1273 HD12 LEU A 83 21.118 -13.988 -23.353 1.00 0.00 H ATOM 1274 HD13 LEU A 83 19.722 -13.664 -24.410 1.00 0.00 H ATOM 1275 H LEU A 83 17.688 -16.916 -21.134 1.00 0.00 H ATOM 1276 N HIS A 84 19.657 -18.567 -19.467 1.00 24.92 N ATOM 1277 CA HIS A 84 20.174 -19.133 -18.213 1.00 28.17 C ATOM 1278 C HIS A 84 19.459 -20.444 -18.049 1.00 32.89 C ATOM 1279 O HIS A 84 18.405 -20.531 -17.383 1.00 31.07 O ATOM 1280 CB HIS A 84 19.908 -18.173 -17.053 1.00 29.87 C ATOM 1281 CG HIS A 84 20.704 -16.914 -17.172 1.00 29.51 C ATOM 1282 ND1 HIS A 84 20.278 -15.825 -17.905 1.00 30.60 N ATOM 1283 CD2 HIS A 84 21.953 -16.615 -16.746 1.00 30.40 C ATOM 1284 CE1 HIS A 84 21.212 -14.896 -17.886 1.00 27.13 C ATOM 1285 NE2 HIS A 84 22.241 -15.355 -17.195 1.00 33.48 N ATOM 1286 HA HIS A 84 21.253 -19.284 -18.229 1.00 0.00 H ATOM 1287 HB2 HIS A 84 18.848 -17.919 -17.042 1.00 0.00 H ATOM 1288 HB3 HIS A 84 20.171 -18.669 -16.119 1.00 0.00 H ATOM 1289 HD2 HIS A 84 22.607 -17.257 -16.156 1.00 0.00 H ATOM 1290 HE1 HIS A 84 21.147 -13.916 -18.359 1.00 0.00 H ATOM 1291 H HIS A 84 18.628 -18.582 -19.619 1.00 0.00 H ATOM 1292 N PRO A 85 19.991 -21.471 -18.725 1.00 29.83 N ATOM 1293 CA PRO A 85 19.355 -22.772 -18.674 1.00 31.55 C ATOM 1294 C PRO A 85 19.205 -23.263 -17.193 1.00 31.90 C ATOM 1295 O PRO A 85 20.138 -23.164 -16.409 1.00 31.02 O ATOM 1296 CB PRO A 85 20.287 -23.661 -19.504 1.00 29.22 C ATOM 1297 CG PRO A 85 21.190 -22.773 -20.277 1.00 31.47 C ATOM 1298 CD PRO A 85 21.149 -21.413 -19.647 1.00 27.00 C ATOM 1299 HA PRO A 85 18.338 -22.777 -19.067 1.00 0.00 H ATOM 1300 HD3 PRO A 85 22.070 -21.213 -19.099 1.00 0.00 H ATOM 1301 HD2 PRO A 85 21.003 -20.641 -20.403 1.00 0.00 H ATOM 1302 HG3 PRO A 85 20.853 -22.712 -21.312 1.00 0.00 H ATOM 1303 HG2 PRO A 85 22.207 -23.164 -20.249 1.00 0.00 H ATOM 1304 HB2 PRO A 85 20.872 -24.303 -18.845 1.00 0.00 H ATOM 1305 HB3 PRO A 85 19.702 -24.279 -20.185 1.00 0.00 H ATOM 1306 N VAL A 86 18.038 -23.788 -16.838 1.00 32.88 N ATOM 1307 CA VAL A 86 17.753 -24.213 -15.439 1.00 38.41 C ATOM 1308 C VAL A 86 18.593 -25.430 -14.958 1.00 41.11 C ATOM 1309 O VAL A 86 19.088 -26.225 -15.779 1.00 34.16 O ATOM 1310 CB VAL A 86 16.240 -24.534 -15.255 1.00 42.20 C ATOM 1311 CG1 VAL A 86 15.403 -23.274 -15.437 1.00 40.99 C ATOM 1312 CG2 VAL A 86 15.760 -25.632 -16.241 1.00 43.81 C ATOM 1313 HA VAL A 86 18.043 -23.363 -14.821 1.00 0.00 H ATOM 1314 HB VAL A 86 16.109 -24.912 -14.241 1.00 0.00 H ATOM 1315 HG11 VAL A 86 15.701 -22.531 -14.697 1.00 0.00 H ATOM 1316 HG12 VAL A 86 15.562 -22.875 -16.439 1.00 0.00 H ATOM 1317 HG13 VAL A 86 14.349 -23.517 -15.305 1.00 0.00 H ATOM 1318 HG21 VAL A 86 15.917 -25.293 -17.265 1.00 0.00 H ATOM 1319 HG22 VAL A 86 16.328 -26.546 -16.069 1.00 0.00 H ATOM 1320 HG23 VAL A 86 14.700 -25.826 -16.079 1.00 0.00 H ATOM 1321 H VAL A 86 17.299 -23.906 -17.560 1.00 0.00 H TER 1322 VAL A 86 ATOM 1323 N ARG A 97 21.116 -21.244 -4.923 1.00 29.83 N ATOM 1324 CA ARG A 97 20.202 -21.270 -6.120 1.00 26.61 C ATOM 1325 C ARG A 97 20.409 -19.993 -6.960 1.00 26.76 C ATOM 1326 O ARG A 97 20.539 -18.913 -6.395 1.00 29.98 O ATOM 1327 CB ARG A 97 18.710 -21.474 -5.783 1.00 28.28 C ATOM 1328 CG ARG A 97 17.846 -20.244 -5.438 1.00 29.39 C ATOM 1329 CD ARG A 97 16.428 -20.644 -5.016 1.00 35.48 C ATOM 1330 NE ARG A 97 15.572 -19.474 -4.727 1.00 32.97 N ATOM 1331 CZ ARG A 97 14.915 -18.739 -5.642 1.00 24.74 C ATOM 1332 NH1 ARG A 97 14.960 -19.041 -6.945 1.00 26.22 N ATOM 1333 NH2 ARG A 97 14.209 -17.679 -5.246 1.00 23.29 N ATOM 1334 HA ARG A 97 20.481 -22.151 -6.699 1.00 0.00 H ATOM 1335 HB2 ARG A 97 18.250 -21.956 -6.646 1.00 0.00 H ATOM 1336 HB3 ARG A 97 18.665 -22.147 -4.926 1.00 0.00 H ATOM 1337 HG2 ARG A 97 18.318 -19.700 -4.620 1.00 0.00 H ATOM 1338 HG3 ARG A 97 17.785 -19.599 -6.314 1.00 0.00 H ATOM 1339 HD2 ARG A 97 16.491 -21.261 -4.120 1.00 0.00 H ATOM 1340 HD3 ARG A 97 15.973 -21.220 -5.822 1.00 0.00 H ATOM 1341 HE ARG A 97 15.469 -19.195 -3.730 1.00 0.00 H ATOM 1342 HH12 ARG A 97 14.443 -18.456 -7.632 1.00 0.00 H ATOM 1343 HH11 ARG A 97 15.512 -19.860 -7.270 1.00 0.00 H ATOM 1344 HH22 ARG A 97 13.697 -17.104 -5.946 1.00 0.00 H ATOM 1345 HH21 ARG A 97 14.170 -17.427 -4.238 1.00 0.00 H ATOM 1346 HN3 ARG A 97 20.900 -20.409 -4.341 1.00 0.00 H ATOM 1347 HN2 ARG A 97 22.104 -21.198 -5.244 1.00 0.00 H ATOM 1348 HN1 ARG A 97 20.973 -22.107 -4.360 1.00 0.00 H ATOM 1349 N GLU A 98 20.470 -20.136 -8.284 1.00 27.11 N ATOM 1350 CA GLU A 98 20.675 -19.014 -9.197 1.00 25.95 C ATOM 1351 C GLU A 98 19.310 -18.397 -9.545 1.00 23.18 C ATOM 1352 O GLU A 98 18.313 -19.115 -9.718 1.00 24.84 O ATOM 1353 CB GLU A 98 21.379 -19.501 -10.487 1.00 32.60 C ATOM 1354 CG GLU A 98 22.786 -20.087 -10.295 1.00 39.23 C ATOM 1355 CD GLU A 98 23.930 -19.094 -10.432 1.00 39.28 C ATOM 1356 OE1 GLU A 98 23.731 -17.983 -10.954 1.00 45.64 O ATOM 1357 OE2 GLU A 98 25.060 -19.419 -10.016 1.00 48.14 O ATOM 1358 HA GLU A 98 21.306 -18.264 -8.719 1.00 0.00 H ATOM 1359 HB2 GLU A 98 20.754 -20.270 -10.940 1.00 0.00 H ATOM 1360 HB3 GLU A 98 21.459 -18.652 -11.167 1.00 0.00 H ATOM 1361 HG2 GLU A 98 22.836 -20.523 -9.297 1.00 0.00 H ATOM 1362 HG3 GLU A 98 22.929 -20.870 -11.040 1.00 0.00 H ATOM 1363 H GLU A 98 20.367 -21.090 -8.685 1.00 0.00 H ATOM 1364 N PRO A 99 19.252 -17.062 -9.698 1.00 20.33 N ATOM 1365 CA PRO A 99 17.958 -16.422 -9.919 1.00 23.09 C ATOM 1366 C PRO A 99 17.346 -16.650 -11.285 1.00 20.65 C ATOM 1367 O PRO A 99 18.046 -16.675 -12.288 1.00 24.58 O ATOM 1368 CB PRO A 99 18.271 -14.919 -9.734 1.00 23.71 C ATOM 1369 CG PRO A 99 19.686 -14.789 -10.096 1.00 20.65 C ATOM 1370 CD PRO A 99 20.357 -16.079 -9.702 1.00 20.91 C ATOM 1371 HA PRO A 99 17.217 -16.837 -9.236 1.00 0.00 H ATOM 1372 HD3 PRO A 99 21.122 -16.357 -10.427 1.00 0.00 H ATOM 1373 HD2 PRO A 99 20.808 -15.997 -8.713 1.00 0.00 H ATOM 1374 HG3 PRO A 99 20.135 -13.953 -9.560 1.00 0.00 H ATOM 1375 HG2 PRO A 99 19.786 -14.626 -11.169 1.00 0.00 H ATOM 1376 HB2 PRO A 99 17.648 -14.312 -10.391 1.00 0.00 H ATOM 1377 HB3 PRO A 99 18.109 -14.616 -8.700 1.00 0.00 H ATOM 1378 N ARG A 100 16.034 -16.806 -11.302 1.00 20.16 N ATOM 1379 CA ARG A 100 15.252 -16.757 -12.512 1.00 19.76 C ATOM 1380 C ARG A 100 14.758 -15.353 -12.803 1.00 18.33 C ATOM 1381 O ARG A 100 14.926 -14.463 -11.978 1.00 19.82 O ATOM 1382 CB ARG A 100 14.050 -17.682 -12.392 1.00 22.05 C ATOM 1383 CG ARG A 100 14.348 -19.064 -11.863 1.00 28.61 C ATOM 1384 CD ARG A 100 15.429 -19.785 -12.639 1.00 28.51 C ATOM 1385 NE ARG A 100 15.011 -19.912 -14.018 1.00 30.64 N ATOM 1386 CZ ARG A 100 15.853 -20.031 -15.050 1.00 33.20 C ATOM 1387 NH1 ARG A 100 17.163 -20.028 -14.876 1.00 28.45 N ATOM 1388 NH2 ARG A 100 15.379 -20.150 -16.281 1.00 33.43 N ATOM 1389 HA ARG A 100 15.898 -17.077 -13.330 1.00 0.00 H ATOM 1390 HB2 ARG A 100 13.330 -17.213 -11.722 1.00 0.00 H ATOM 1391 HB3 ARG A 100 13.607 -17.789 -13.382 1.00 0.00 H ATOM 1392 HG2 ARG A 100 14.668 -18.975 -10.825 1.00 0.00 H ATOM 1393 HG3 ARG A 100 13.435 -19.657 -11.911 1.00 0.00 H ATOM 1394 HD2 ARG A 100 15.588 -20.775 -12.212 1.00 0.00 H ATOM 1395 HD3 ARG A 100 16.357 -19.216 -12.589 1.00 0.00 H ATOM 1396 HE ARG A 100 13.991 -19.911 -14.220 1.00 0.00 H ATOM 1397 HH12 ARG A 100 17.797 -20.122 -15.695 1.00 0.00 H ATOM 1398 HH11 ARG A 100 17.560 -19.932 -13.920 1.00 0.00 H ATOM 1399 HH22 ARG A 100 16.034 -20.243 -17.084 1.00 0.00 H ATOM 1400 HH21 ARG A 100 14.352 -20.151 -16.445 1.00 0.00 H ATOM 1401 H ARG A 100 15.543 -16.972 -10.400 1.00 0.00 H ATOM 1402 N GLY A 101 14.160 -15.146 -13.976 1.00 20.55 N ATOM 1403 CA GLY A 101 13.583 -13.830 -14.316 1.00 19.88 C ATOM 1404 C GLY A 101 12.641 -13.297 -13.216 1.00 21.26 C ATOM 1405 O GLY A 101 12.700 -12.106 -12.856 1.00 19.39 O ATOM 1406 HA3 GLY A 101 13.019 -13.924 -15.244 1.00 0.00 H ATOM 1407 HA2 GLY A 101 14.396 -13.117 -14.457 1.00 0.00 H ATOM 1408 H GLY A 101 14.099 -15.924 -14.663 1.00 0.00 H ATOM 1409 N SER A 102 11.780 -14.169 -12.666 1.00 22.05 N ATOM 1410 CA SER A 102 10.856 -13.775 -11.593 1.00 22.34 C ATOM 1411 C SER A 102 11.556 -13.420 -10.279 1.00 20.86 C ATOM 1412 O SER A 102 11.079 -12.561 -9.511 1.00 22.90 O ATOM 1413 CB SER A 102 9.817 -14.869 -11.339 1.00 24.02 C ATOM 1414 OG SER A 102 10.488 -16.067 -11.092 1.00 24.86 O ATOM 1415 HA SER A 102 10.365 -12.869 -11.948 1.00 0.00 H ATOM 1416 HB2 SER A 102 9.177 -14.979 -12.214 1.00 0.00 H ATOM 1417 HB3 SER A 102 9.207 -14.604 -10.475 1.00 0.00 H ATOM 1418 HG SER A 102 11.069 -15.961 -10.298 1.00 0.00 H ATOM 1419 H SER A 102 11.767 -15.151 -13.009 1.00 0.00 H ATOM 1420 N ASP A 103 12.672 -14.088 -10.022 1.00 18.19 N ATOM 1421 CA ASP A 103 13.538 -13.755 -8.911 1.00 20.77 C ATOM 1422 C ASP A 103 14.189 -12.377 -9.075 1.00 19.54 C ATOM 1423 O ASP A 103 14.199 -11.599 -8.125 1.00 17.13 O ATOM 1424 CB ASP A 103 14.614 -14.814 -8.744 1.00 21.83 C ATOM 1425 CG ASP A 103 14.064 -16.155 -8.366 1.00 22.44 C ATOM 1426 OD1 ASP A 103 13.138 -16.203 -7.532 1.00 21.06 O ATOM 1427 OD2 ASP A 103 14.582 -17.171 -8.889 1.00 20.76 O ATOM 1428 HA ASP A 103 12.914 -13.722 -8.018 1.00 0.00 H ATOM 1429 HB2 ASP A 103 15.153 -14.913 -9.686 1.00 0.00 H ATOM 1430 HB3 ASP A 103 15.303 -14.489 -7.965 1.00 0.00 H ATOM 1431 H ASP A 103 12.935 -14.881 -10.642 1.00 0.00 H ATOM 1432 N ILE A 104 14.702 -12.065 -10.270 1.00 19.24 N ATOM 1433 CA ILE A 104 15.216 -10.705 -10.561 1.00 18.15 C ATOM 1434 C ILE A 104 14.148 -9.597 -10.389 1.00 16.57 C ATOM 1435 O ILE A 104 14.420 -8.541 -9.812 1.00 17.73 O ATOM 1436 CB ILE A 104 15.855 -10.638 -11.943 1.00 16.07 C ATOM 1437 CG1 ILE A 104 17.119 -11.510 -11.959 1.00 19.09 C ATOM 1438 CG2 ILE A 104 16.157 -9.175 -12.349 1.00 14.12 C ATOM 1439 CD1 ILE A 104 17.585 -11.960 -13.315 1.00 21.10 C ATOM 1440 HA ILE A 104 15.985 -10.508 -9.814 1.00 0.00 H ATOM 1441 HB ILE A 104 15.156 -11.027 -12.683 1.00 0.00 H ATOM 1442 HG12 ILE A 104 17.926 -10.939 -11.500 1.00 0.00 H ATOM 1443 HG13 ILE A 104 16.920 -12.399 -11.361 1.00 0.00 H ATOM 1444 HD11 ILE A 104 16.801 -12.550 -13.790 1.00 0.00 H ATOM 1445 HD12 ILE A 104 17.808 -11.088 -13.929 1.00 0.00 H ATOM 1446 HD13 ILE A 104 18.483 -12.568 -13.206 1.00 0.00 H ATOM 1447 HG21 ILE A 104 15.228 -8.605 -12.366 1.00 0.00 H ATOM 1448 HG22 ILE A 104 16.843 -8.733 -11.626 1.00 0.00 H ATOM 1449 HG23 ILE A 104 16.612 -9.161 -13.339 1.00 0.00 H ATOM 1450 H ILE A 104 14.741 -12.793 -11.012 1.00 0.00 H ATOM 1451 N ALA A 105 12.934 -9.878 -10.814 1.00 16.00 N ATOM 1452 CA ALA A 105 11.837 -8.945 -10.682 1.00 20.75 C ATOM 1453 C ALA A 105 11.218 -8.915 -9.281 1.00 20.10 C ATOM 1454 O ALA A 105 10.266 -8.155 -9.034 1.00 17.87 O ATOM 1455 CB ALA A 105 10.774 -9.226 -11.729 1.00 20.47 C ATOM 1456 HA ALA A 105 12.260 -7.954 -10.845 1.00 0.00 H ATOM 1457 HB1 ALA A 105 11.209 -9.125 -12.723 1.00 0.00 H ATOM 1458 HB2 ALA A 105 10.396 -10.240 -11.598 1.00 0.00 H ATOM 1459 HB3 ALA A 105 9.956 -8.514 -11.615 1.00 0.00 H ATOM 1460 H ALA A 105 12.758 -10.801 -11.259 1.00 0.00 H ATOM 1461 N GLY A 106 11.751 -9.744 -8.384 1.00 21.18 N ATOM 1462 CA GLY A 106 11.280 -9.815 -6.986 1.00 21.19 C ATOM 1463 C GLY A 106 9.951 -10.470 -6.668 1.00 24.09 C ATOM 1464 O GLY A 106 9.511 -10.429 -5.504 1.00 25.02 O ATOM 1465 HA3 GLY A 106 11.222 -8.790 -6.621 1.00 0.00 H ATOM 1466 HA2 GLY A 106 12.041 -10.357 -6.424 1.00 0.00 H ATOM 1467 H GLY A 106 12.530 -10.366 -8.680 1.00 0.00 H ATOM 1468 N THR A 107 9.268 -11.053 -7.646 1.00 20.07 N ATOM 1469 CA THR A 107 7.977 -11.674 -7.341 1.00 24.88 C ATOM 1470 C THR A 107 8.116 -13.022 -6.606 1.00 22.07 C ATOM 1471 O THR A 107 7.222 -13.442 -5.897 1.00 25.68 O ATOM 1472 CB THR A 107 7.094 -11.931 -8.604 1.00 22.58 C ATOM 1473 OG1 THR A 107 7.807 -12.743 -9.532 1.00 27.24 O ATOM 1474 CG2 THR A 107 6.709 -10.688 -9.274 1.00 21.50 C ATOM 1475 HA THR A 107 7.492 -10.940 -6.697 1.00 0.00 H ATOM 1476 HB THR A 107 6.188 -12.432 -8.264 1.00 0.00 H ATOM 1477 HG1 THR A 107 7.243 -12.903 -10.330 1.00 0.00 H ATOM 1478 HG23 THR A 107 6.162 -10.055 -8.576 1.00 0.00 H ATOM 1479 HG21 THR A 107 7.604 -10.167 -9.613 1.00 0.00 H ATOM 1480 HG22 THR A 107 6.075 -10.919 -10.130 1.00 0.00 H ATOM 1481 H THR A 107 9.645 -11.069 -8.615 1.00 0.00 H ATOM 1482 N THR A 108 9.217 -13.713 -6.854 1.00 21.61 N ATOM 1483 CA THR A 108 9.452 -15.040 -6.321 1.00 20.61 C ATOM 1484 C THR A 108 10.684 -15.205 -5.466 1.00 20.41 C ATOM 1485 O THR A 108 11.002 -16.313 -5.039 1.00 24.86 O ATOM 1486 CB THR A 108 9.577 -16.078 -7.453 1.00 21.18 C ATOM 1487 OG1 THR A 108 10.596 -15.682 -8.378 1.00 26.32 O ATOM 1488 CG2 THR A 108 8.238 -16.303 -8.170 1.00 24.04 C ATOM 1489 HA THR A 108 8.580 -15.197 -5.686 1.00 0.00 H ATOM 1490 HB THR A 108 9.863 -17.030 -7.005 1.00 0.00 H ATOM 1491 HG1 THR A 108 11.462 -15.614 -7.904 1.00 0.00 H ATOM 1492 HG23 THR A 108 7.484 -16.603 -7.443 1.00 0.00 H ATOM 1493 HG21 THR A 108 7.928 -15.378 -8.657 1.00 0.00 H ATOM 1494 HG22 THR A 108 8.355 -17.087 -8.918 1.00 0.00 H ATOM 1495 H THR A 108 9.947 -13.284 -7.459 1.00 0.00 H ATOM 1496 N SER A 109 11.383 -14.112 -5.184 1.00 21.85 N ATOM 1497 CA SER A 109 12.550 -14.183 -4.344 1.00 22.59 C ATOM 1498 C SER A 109 12.341 -13.397 -3.034 1.00 23.00 C ATOM 1499 O SER A 109 11.529 -12.466 -2.949 1.00 20.21 O ATOM 1500 CB SER A 109 13.746 -13.609 -5.086 1.00 25.75 C ATOM 1501 OG SER A 109 13.443 -12.292 -5.562 1.00 22.63 O ATOM 1502 HA SER A 109 12.728 -15.229 -4.096 1.00 0.00 H ATOM 1503 HB2 SER A 109 13.988 -14.252 -5.932 1.00 0.00 H ATOM 1504 HB3 SER A 109 14.601 -13.561 -4.411 1.00 0.00 H ATOM 1505 HG SER A 109 14.228 -11.928 -6.043 1.00 0.00 H ATOM 1506 H SER A 109 11.084 -13.195 -5.574 1.00 0.00 H ATOM 1507 N THR A 110 13.102 -13.769 -2.021 1.00 22.41 N ATOM 1508 CA THR A 110 13.038 -13.103 -0.729 1.00 22.55 C ATOM 1509 C THR A 110 14.069 -11.965 -0.733 1.00 21.70 C ATOM 1510 O THR A 110 14.994 -11.980 -1.511 1.00 18.77 O ATOM 1511 CB THR A 110 13.361 -14.068 0.437 1.00 19.42 C ATOM 1512 OG1 THR A 110 14.685 -14.572 0.320 1.00 22.66 O ATOM 1513 CG2 THR A 110 12.448 -15.230 0.437 1.00 24.52 C ATOM 1514 HA THR A 110 12.025 -12.730 -0.579 1.00 0.00 H ATOM 1515 HB THR A 110 13.245 -13.498 1.359 1.00 0.00 H ATOM 1516 HG1 THR A 110 14.871 -15.186 1.074 1.00 0.00 H ATOM 1517 HG23 THR A 110 11.419 -14.882 0.526 1.00 0.00 H ATOM 1518 HG21 THR A 110 12.567 -15.784 -0.494 1.00 0.00 H ATOM 1519 HG22 THR A 110 12.687 -15.879 1.280 1.00 0.00 H ATOM 1520 H THR A 110 13.765 -14.560 -2.150 1.00 0.00 H ATOM 1521 N LEU A 111 13.935 -11.017 0.173 1.00 22.13 N ATOM 1522 CA LEU A 111 14.935 -10.018 0.358 1.00 19.91 C ATOM 1523 C LEU A 111 16.251 -10.615 0.713 1.00 20.40 C ATOM 1524 O LEU A 111 17.271 -10.165 0.210 1.00 18.94 O ATOM 1525 CB LEU A 111 14.529 -8.990 1.433 1.00 22.38 C ATOM 1526 CG LEU A 111 15.517 -7.851 1.722 1.00 24.75 C ATOM 1527 CD1 LEU A 111 15.867 -6.998 0.497 1.00 26.14 C ATOM 1528 CD2 LEU A 111 14.877 -6.985 2.798 1.00 25.60 C ATOM 1529 HA LEU A 111 15.030 -9.502 -0.597 1.00 0.00 H ATOM 1530 HB2 LEU A 111 13.589 -8.537 1.116 1.00 0.00 H ATOM 1531 HB3 LEU A 111 14.373 -9.534 2.365 1.00 0.00 H ATOM 1532 HG LEU A 111 16.465 -8.286 2.040 1.00 0.00 H ATOM 1533 HD21 LEU A 111 13.928 -6.594 2.431 1.00 0.00 H ATOM 1534 HD22 LEU A 111 14.703 -7.586 3.691 1.00 0.00 H ATOM 1535 HD23 LEU A 111 15.543 -6.157 3.040 1.00 0.00 H ATOM 1536 HD11 LEU A 111 16.320 -7.630 -0.267 1.00 0.00 H ATOM 1537 HD12 LEU A 111 14.959 -6.543 0.102 1.00 0.00 H ATOM 1538 HD13 LEU A 111 16.570 -6.217 0.788 1.00 0.00 H ATOM 1539 H LEU A 111 13.081 -10.997 0.766 1.00 0.00 H ATOM 1540 N GLN A 112 16.262 -11.646 1.566 1.00 22.08 N ATOM 1541 CA GLN A 112 17.557 -12.237 1.883 1.00 26.49 C ATOM 1542 C GLN A 112 18.189 -12.903 0.684 1.00 21.91 C ATOM 1543 O GLN A 112 19.380 -12.778 0.538 1.00 22.66 O ATOM 1544 CB GLN A 112 17.532 -13.137 3.116 1.00 31.63 C ATOM 1545 CG GLN A 112 17.620 -12.306 4.425 1.00 33.33 C ATOM 1546 CD GLN A 112 18.936 -11.473 4.644 1.00 44.25 C ATOM 1547 OE1 GLN A 112 19.004 -10.671 5.585 1.00 56.69 O ATOM 1548 NE2 GLN A 112 19.975 -11.672 3.797 1.00 55.60 N ATOM 1549 HA GLN A 112 18.205 -11.403 2.155 1.00 0.00 H ATOM 1550 HB2 GLN A 112 16.604 -13.708 3.120 1.00 0.00 H ATOM 1551 HB3 GLN A 112 18.379 -13.822 3.073 1.00 0.00 H ATOM 1552 HG2 GLN A 112 16.782 -11.609 4.431 1.00 0.00 H ATOM 1553 HG3 GLN A 112 17.522 -12.997 5.263 1.00 0.00 H ATOM 1554 HE22 GLN A 112 19.886 -12.353 3.016 1.00 0.00 H ATOM 1555 HE21 GLN A 112 20.861 -11.144 3.928 1.00 0.00 H ATOM 1556 H GLN A 112 15.383 -12.011 1.986 1.00 0.00 H ATOM 1557 N GLU A 113 17.402 -13.557 -0.181 1.00 24.03 N ATOM 1558 CA GLU A 113 17.950 -14.083 -1.465 1.00 24.41 C ATOM 1559 C GLU A 113 18.563 -12.986 -2.329 1.00 21.39 C ATOM 1560 O GLU A 113 19.686 -13.134 -2.899 1.00 19.29 O ATOM 1561 CB GLU A 113 16.886 -14.861 -2.261 1.00 24.97 C ATOM 1562 CG GLU A 113 16.655 -16.262 -1.681 1.00 26.70 C ATOM 1563 CD GLU A 113 15.420 -16.962 -2.222 1.00 27.40 C ATOM 1564 OE1 GLU A 113 14.456 -16.299 -2.667 1.00 26.23 O ATOM 1565 OE2 GLU A 113 15.415 -18.197 -2.212 1.00 28.58 O ATOM 1566 HA GLU A 113 18.749 -14.773 -1.194 1.00 0.00 H ATOM 1567 HB2 GLU A 113 15.948 -14.307 -2.232 1.00 0.00 H ATOM 1568 HB3 GLU A 113 17.218 -14.957 -3.295 1.00 0.00 H ATOM 1569 HG2 GLU A 113 17.525 -16.876 -1.912 1.00 0.00 H ATOM 1570 HG3 GLU A 113 16.552 -16.172 -0.600 1.00 0.00 H ATOM 1571 H GLU A 113 16.397 -13.700 0.045 1.00 0.00 H ATOM 1572 N GLN A 114 17.832 -11.888 -2.438 1.00 17.62 N ATOM 1573 CA GLN A 114 18.292 -10.750 -3.227 1.00 18.08 C ATOM 1574 C GLN A 114 19.603 -10.196 -2.696 1.00 20.94 C ATOM 1575 O GLN A 114 20.541 -9.948 -3.463 1.00 18.95 O ATOM 1576 CB GLN A 114 17.212 -9.663 -3.266 1.00 19.14 C ATOM 1577 CG GLN A 114 15.936 -10.005 -4.020 1.00 20.05 C ATOM 1578 CD GLN A 114 14.816 -9.018 -3.752 1.00 22.50 C ATOM 1579 OE1 GLN A 114 15.075 -7.885 -3.431 1.00 22.07 O ATOM 1580 NE2 GLN A 114 13.577 -9.453 -3.883 1.00 21.68 N ATOM 1581 HA GLN A 114 18.476 -11.096 -4.244 1.00 0.00 H ATOM 1582 HB2 GLN A 114 16.938 -9.431 -2.237 1.00 0.00 H ATOM 1583 HB3 GLN A 114 17.647 -8.779 -3.733 1.00 0.00 H ATOM 1584 HG2 GLN A 114 16.152 -10.007 -5.088 1.00 0.00 H ATOM 1585 HG3 GLN A 114 15.606 -10.998 -3.716 1.00 0.00 H ATOM 1586 HE22 GLN A 114 13.399 -10.439 -4.162 1.00 0.00 H ATOM 1587 HE21 GLN A 114 12.779 -8.810 -3.707 1.00 0.00 H ATOM 1588 H GLN A 114 16.914 -11.835 -1.953 1.00 0.00 H ATOM 1589 N ILE A 115 19.678 -9.997 -1.384 1.00 23.07 N ATOM 1590 CA ILE A 115 20.934 -9.554 -0.752 1.00 23.06 C ATOM 1591 C ILE A 115 22.047 -10.579 -0.982 1.00 21.97 C ATOM 1592 O ILE A 115 23.200 -10.190 -1.245 1.00 21.59 O ATOM 1593 CB ILE A 115 20.739 -9.310 0.786 1.00 25.48 C ATOM 1594 CG1 ILE A 115 19.767 -8.151 1.055 1.00 24.75 C ATOM 1595 CG2 ILE A 115 22.038 -8.906 1.423 1.00 28.26 C ATOM 1596 CD1 ILE A 115 19.267 -8.057 2.488 1.00 25.88 C ATOM 1597 HA ILE A 115 21.222 -8.611 -1.216 1.00 0.00 H ATOM 1598 HB ILE A 115 20.355 -10.244 1.196 1.00 0.00 H ATOM 1599 HG12 ILE A 115 20.275 -7.218 0.811 1.00 0.00 H ATOM 1600 HG13 ILE A 115 18.903 -8.274 0.402 1.00 0.00 H ATOM 1601 HD11 ILE A 115 18.741 -8.976 2.749 1.00 0.00 H ATOM 1602 HD12 ILE A 115 20.115 -7.919 3.159 1.00 0.00 H ATOM 1603 HD13 ILE A 115 18.588 -7.210 2.580 1.00 0.00 H ATOM 1604 HG21 ILE A 115 22.773 -9.698 1.280 1.00 0.00 H ATOM 1605 HG22 ILE A 115 22.398 -7.987 0.961 1.00 0.00 H ATOM 1606 HG23 ILE A 115 21.883 -8.741 2.489 1.00 0.00 H ATOM 1607 H ILE A 115 18.837 -10.156 -0.794 1.00 0.00 H ATOM 1608 N GLY A 116 21.692 -11.876 -0.899 1.00 21.09 N ATOM 1609 CA GLY A 116 22.618 -12.987 -1.092 1.00 22.02 C ATOM 1610 C GLY A 116 23.247 -12.952 -2.510 1.00 24.41 C ATOM 1611 O GLY A 116 24.463 -13.063 -2.678 1.00 20.79 O ATOM 1612 HA3 GLY A 116 22.079 -13.926 -0.965 1.00 0.00 H ATOM 1613 HA2 GLY A 116 23.412 -12.922 -0.348 1.00 0.00 H ATOM 1614 H GLY A 116 20.699 -12.099 -0.685 1.00 0.00 H ATOM 1615 N TRP A 117 22.426 -12.717 -3.516 1.00 21.60 N ATOM 1616 CA TRP A 117 22.938 -12.569 -4.911 1.00 20.10 C ATOM 1617 C TRP A 117 23.770 -11.304 -5.084 1.00 16.51 C ATOM 1618 O TRP A 117 24.873 -11.326 -5.664 1.00 18.43 O ATOM 1619 CB TRP A 117 21.798 -12.570 -5.938 1.00 17.16 C ATOM 1620 CG TRP A 117 21.121 -13.895 -6.044 1.00 18.60 C ATOM 1621 CD1 TRP A 117 21.733 -15.128 -6.126 1.00 19.48 C ATOM 1622 CD2 TRP A 117 19.707 -14.148 -6.044 1.00 22.20 C ATOM 1623 NE1 TRP A 117 20.794 -16.110 -6.142 1.00 22.87 N ATOM 1624 CE2 TRP A 117 19.538 -15.553 -6.131 1.00 23.71 C ATOM 1625 CE3 TRP A 117 18.563 -13.329 -6.009 1.00 21.11 C ATOM 1626 CZ2 TRP A 117 18.258 -16.158 -6.150 1.00 23.73 C ATOM 1627 CZ3 TRP A 117 17.314 -13.919 -5.994 1.00 21.02 C ATOM 1628 CH2 TRP A 117 17.163 -15.329 -6.087 1.00 19.27 C ATOM 1629 HA TRP A 117 23.577 -13.434 -5.090 1.00 0.00 H ATOM 1630 HB2 TRP A 117 21.061 -11.824 -5.642 1.00 0.00 H ATOM 1631 HB3 TRP A 117 22.207 -12.308 -6.914 1.00 0.00 H ATOM 1632 HE1 TRP A 117 20.996 -17.130 -6.160 1.00 0.00 H ATOM 1633 HD1 TRP A 117 22.810 -15.291 -6.171 1.00 0.00 H ATOM 1634 HZ2 TRP A 117 18.145 -17.240 -6.212 1.00 0.00 H ATOM 1635 HH2 TRP A 117 16.162 -15.760 -6.109 1.00 0.00 H ATOM 1636 HZ3 TRP A 117 16.427 -13.291 -5.909 1.00 0.00 H ATOM 1637 HE3 TRP A 117 18.661 -12.244 -5.994 1.00 0.00 H ATOM 1638 H TRP A 117 21.405 -12.633 -3.334 1.00 0.00 H ATOM 1639 N MET A 118 23.240 -10.203 -4.548 1.00 22.16 N ATOM 1640 CA MET A 118 23.863 -8.907 -4.715 1.00 18.81 C ATOM 1641 C MET A 118 25.240 -8.858 -4.088 1.00 23.69 C ATOM 1642 O MET A 118 26.130 -8.177 -4.617 1.00 22.77 O ATOM 1643 CB MET A 118 22.957 -7.820 -4.163 1.00 17.45 C ATOM 1644 CG MET A 118 21.818 -7.506 -5.125 1.00 18.06 C ATOM 1645 SD MET A 118 20.538 -6.441 -4.467 1.00 22.76 S ATOM 1646 CE MET A 118 21.397 -4.861 -4.530 1.00 23.89 C ATOM 1647 HA MET A 118 24.003 -8.731 -5.782 1.00 0.00 H ATOM 1648 HB2 MET A 118 22.538 -8.155 -3.214 1.00 0.00 H ATOM 1649 HB3 MET A 118 23.544 -6.916 -4.001 1.00 0.00 H ATOM 1650 HG2 MET A 118 21.355 -8.448 -5.419 1.00 0.00 H ATOM 1651 HG3 MET A 118 22.242 -7.021 -6.004 1.00 0.00 H ATOM 1652 HE1 MET A 118 22.295 -4.912 -3.914 1.00 0.00 H ATOM 1653 HE2 MET A 118 21.674 -4.640 -5.561 1.00 0.00 H ATOM 1654 HE3 MET A 118 20.740 -4.077 -4.153 1.00 0.00 H ATOM 1655 H MET A 118 22.360 -10.278 -3.998 1.00 0.00 H ATOM 1656 N THR A 119 25.434 -9.599 -2.992 1.00 23.76 N ATOM 1657 CA THR A 119 26.722 -9.615 -2.260 1.00 25.44 C ATOM 1658 C THR A 119 27.452 -10.940 -2.537 1.00 28.33 C ATOM 1659 O THR A 119 28.399 -11.308 -1.823 1.00 33.86 O ATOM 1660 CB THR A 119 26.489 -9.399 -0.733 1.00 22.06 C ATOM 1661 OG1 THR A 119 25.644 -10.454 -0.217 1.00 23.51 O ATOM 1662 CG2 THR A 119 25.875 -8.033 -0.471 1.00 23.66 C ATOM 1663 HA THR A 119 27.348 -8.795 -2.611 1.00 0.00 H ATOM 1664 HB THR A 119 27.449 -9.434 -0.218 1.00 0.00 H ATOM 1665 HG1 THR A 119 24.774 -10.439 -0.689 1.00 0.00 H ATOM 1666 HG23 THR A 119 26.531 -7.259 -0.869 1.00 0.00 H ATOM 1667 HG21 THR A 119 24.902 -7.974 -0.959 1.00 0.00 H ATOM 1668 HG22 THR A 119 25.753 -7.891 0.603 1.00 0.00 H ATOM 1669 H THR A 119 24.651 -10.186 -2.640 1.00 0.00 H ATOM 1670 N HIS A 120 27.023 -11.665 -3.576 1.00 24.94 N ATOM 1671 CA HIS A 120 27.719 -12.905 -3.955 1.00 27.78 C ATOM 1672 C HIS A 120 29.120 -12.553 -4.496 1.00 28.57 C ATOM 1673 O HIS A 120 29.405 -11.380 -4.847 1.00 26.80 O ATOM 1674 CB HIS A 120 26.865 -13.704 -4.920 1.00 27.26 C ATOM 1675 CG HIS A 120 27.464 -14.998 -5.364 1.00 32.76 C ATOM 1676 ND1 HIS A 120 28.309 -15.093 -6.457 1.00 34.64 N ATOM 1677 CD2 HIS A 120 27.295 -16.260 -4.903 1.00 35.70 C ATOM 1678 CE1 HIS A 120 28.644 -16.358 -6.639 1.00 38.98 C ATOM 1679 NE2 HIS A 120 28.035 -17.087 -5.715 1.00 41.83 N ATOM 1680 HA HIS A 120 27.871 -13.550 -3.090 1.00 0.00 H ATOM 1681 HB2 HIS A 120 25.914 -13.920 -4.433 1.00 0.00 H ATOM 1682 HB3 HIS A 120 26.688 -13.091 -5.804 1.00 0.00 H ATOM 1683 HD2 HIS A 120 26.688 -16.563 -4.050 1.00 0.00 H ATOM 1684 HE1 HIS A 120 29.308 -16.737 -7.416 1.00 0.00 H ATOM 1685 H HIS A 120 26.193 -11.351 -4.119 1.00 0.00 H ATOM 1686 N ASN A 121 30.014 -13.541 -4.463 1.00 29.26 N ATOM 1687 CA ASN A 121 31.396 -13.367 -4.893 1.00 30.71 C ATOM 1688 C ASN A 121 31.715 -14.209 -6.155 1.00 34.42 C ATOM 1689 O ASN A 121 31.880 -15.428 -6.049 1.00 33.51 O ATOM 1690 CB ASN A 121 32.323 -13.755 -3.723 1.00 36.62 C ATOM 1691 CG ASN A 121 31.867 -13.147 -2.372 1.00 34.36 C ATOM 1692 OD1 ASN A 121 32.140 -11.968 -2.056 1.00 37.58 O ATOM 1693 ND2 ASN A 121 31.176 -13.963 -1.564 1.00 35.89 N ATOM 1694 HA ASN A 121 31.557 -12.324 -5.166 1.00 0.00 H ATOM 1695 HB2 ASN A 121 32.333 -14.841 -3.631 1.00 0.00 H ATOM 1696 HB3 ASN A 121 33.330 -13.401 -3.943 1.00 0.00 H ATOM 1697 HD22 ASN A 121 30.969 -14.937 -1.863 1.00 0.00 H ATOM 1698 HD21 ASN A 121 30.847 -13.622 -0.638 1.00 0.00 H ATOM 1699 H ASN A 121 29.713 -14.474 -4.116 1.00 0.00 H ATOM 1700 N PRO A 122 31.708 -13.582 -7.362 1.00 25.69 N ATOM 1701 CA PRO A 122 31.351 -12.194 -7.707 1.00 29.80 C ATOM 1702 C PRO A 122 29.838 -11.951 -7.723 1.00 24.91 C ATOM 1703 O PRO A 122 29.074 -12.931 -7.757 1.00 22.42 O ATOM 1704 CB PRO A 122 31.927 -12.028 -9.105 1.00 32.44 C ATOM 1705 CG PRO A 122 31.705 -13.364 -9.710 1.00 31.80 C ATOM 1706 CD PRO A 122 31.989 -14.360 -8.583 1.00 32.95 C ATOM 1707 HA PRO A 122 31.737 -11.485 -6.975 1.00 0.00 H ATOM 1708 HD3 PRO A 122 31.332 -15.227 -8.653 1.00 0.00 H ATOM 1709 HD2 PRO A 122 33.028 -14.690 -8.606 1.00 0.00 H ATOM 1710 HG3 PRO A 122 32.387 -13.525 -10.545 1.00 0.00 H ATOM 1711 HG2 PRO A 122 30.677 -13.461 -10.058 1.00 0.00 H ATOM 1712 HB2 PRO A 122 31.398 -11.253 -9.659 1.00 0.00 H ATOM 1713 HB3 PRO A 122 32.989 -11.785 -9.067 1.00 0.00 H ATOM 1714 N PRO A 123 29.420 -10.665 -7.593 1.00 35.12 N ATOM 1715 CA PRO A 123 27.982 -10.412 -7.511 1.00 30.39 C ATOM 1716 C PRO A 123 27.147 -10.959 -8.650 1.00 28.81 C ATOM 1717 O PRO A 123 27.596 -11.076 -9.796 1.00 24.34 O ATOM 1718 CB PRO A 123 27.885 -8.879 -7.484 1.00 31.00 C ATOM 1719 CG PRO A 123 29.116 -8.476 -6.660 1.00 33.18 C ATOM 1720 CD PRO A 123 30.196 -9.477 -7.114 1.00 34.80 C ATOM 1721 HA PRO A 123 27.575 -10.924 -6.639 1.00 0.00 H ATOM 1722 HD3 PRO A 123 30.798 -9.057 -7.920 1.00 0.00 H ATOM 1723 HD2 PRO A 123 30.845 -9.749 -6.282 1.00 0.00 H ATOM 1724 HG3 PRO A 123 28.919 -8.572 -5.592 1.00 0.00 H ATOM 1725 HG2 PRO A 123 29.416 -7.452 -6.882 1.00 0.00 H ATOM 1726 HB2 PRO A 123 27.933 -8.464 -8.491 1.00 0.00 H ATOM 1727 HB3 PRO A 123 26.964 -8.552 -7.001 1.00 0.00 H ATOM 1728 N ILE A 124 25.914 -11.258 -8.299 1.00 23.45 N ATOM 1729 CA ILE A 124 24.897 -11.564 -9.270 1.00 21.96 C ATOM 1730 C ILE A 124 23.962 -10.389 -9.039 1.00 21.30 C ATOM 1731 O ILE A 124 23.096 -10.436 -8.151 1.00 18.39 O ATOM 1732 CB ILE A 124 24.267 -12.915 -8.944 1.00 26.01 C ATOM 1733 CG1 ILE A 124 25.336 -14.017 -8.998 1.00 26.65 C ATOM 1734 CG2 ILE A 124 23.120 -13.207 -9.879 1.00 28.29 C ATOM 1735 CD1 ILE A 124 24.880 -15.320 -8.370 1.00 30.53 C ATOM 1736 HA ILE A 124 25.217 -11.664 -10.307 1.00 0.00 H ATOM 1737 HB ILE A 124 23.862 -12.885 -7.933 1.00 0.00 H ATOM 1738 HG12 ILE A 124 25.589 -14.204 -10.042 1.00 0.00 H ATOM 1739 HG13 ILE A 124 26.222 -13.667 -8.468 1.00 0.00 H ATOM 1740 HD11 ILE A 124 24.633 -15.150 -7.322 1.00 0.00 H ATOM 1741 HD12 ILE A 124 23.999 -15.687 -8.897 1.00 0.00 H ATOM 1742 HD13 ILE A 124 25.681 -16.056 -8.441 1.00 0.00 H ATOM 1743 HG21 ILE A 124 22.362 -12.430 -9.776 1.00 0.00 H ATOM 1744 HG22 ILE A 124 23.486 -13.226 -10.906 1.00 0.00 H ATOM 1745 HG23 ILE A 124 22.686 -14.175 -9.628 1.00 0.00 H ATOM 1746 H ILE A 124 25.667 -11.274 -7.289 1.00 0.00 H ATOM 1747 N PRO A 125 24.202 -9.294 -9.769 1.00 19.51 N ATOM 1748 CA PRO A 125 23.658 -8.014 -9.393 1.00 19.71 C ATOM 1749 C PRO A 125 22.153 -7.828 -9.774 1.00 15.69 C ATOM 1750 O PRO A 125 21.811 -7.009 -10.652 1.00 15.93 O ATOM 1751 CB PRO A 125 24.580 -7.037 -10.120 1.00 22.12 C ATOM 1752 CG PRO A 125 24.910 -7.773 -11.378 1.00 21.97 C ATOM 1753 CD PRO A 125 25.100 -9.181 -10.940 1.00 20.94 C ATOM 1754 HA PRO A 125 23.637 -7.871 -8.313 1.00 0.00 H ATOM 1755 HD3 PRO A 125 24.808 -9.878 -11.726 1.00 0.00 H ATOM 1756 HD2 PRO A 125 26.136 -9.367 -10.658 1.00 0.00 H ATOM 1757 HG3 PRO A 125 25.823 -7.381 -11.827 1.00 0.00 H ATOM 1758 HG2 PRO A 125 24.093 -7.698 -12.095 1.00 0.00 H ATOM 1759 HB2 PRO A 125 24.068 -6.099 -10.335 1.00 0.00 H ATOM 1760 HB3 PRO A 125 25.478 -6.834 -9.536 1.00 0.00 H ATOM 1761 N VAL A 126 21.272 -8.513 -9.066 1.00 15.29 N ATOM 1762 CA VAL A 126 19.849 -8.560 -9.449 1.00 16.35 C ATOM 1763 C VAL A 126 19.146 -7.216 -9.397 1.00 15.94 C ATOM 1764 O VAL A 126 18.248 -6.978 -10.187 1.00 15.55 O ATOM 1765 CB VAL A 126 19.028 -9.602 -8.643 1.00 19.29 C ATOM 1766 CG1 VAL A 126 19.483 -11.009 -8.992 1.00 16.44 C ATOM 1767 CG2 VAL A 126 19.133 -9.374 -7.135 1.00 19.92 C ATOM 1768 HA VAL A 126 19.884 -8.876 -10.492 1.00 0.00 H ATOM 1769 HB VAL A 126 17.981 -9.479 -8.920 1.00 0.00 H ATOM 1770 HG11 VAL A 126 19.335 -11.183 -10.058 1.00 0.00 H ATOM 1771 HG12 VAL A 126 20.540 -11.119 -8.748 1.00 0.00 H ATOM 1772 HG13 VAL A 126 18.900 -11.731 -8.420 1.00 0.00 H ATOM 1773 HG21 VAL A 126 20.176 -9.452 -6.829 1.00 0.00 H ATOM 1774 HG22 VAL A 126 18.755 -8.381 -6.892 1.00 0.00 H ATOM 1775 HG23 VAL A 126 18.542 -10.127 -6.613 1.00 0.00 H ATOM 1776 H VAL A 126 21.589 -9.030 -8.221 1.00 0.00 H ATOM 1777 N GLY A 127 19.540 -6.348 -8.457 1.00 16.65 N ATOM 1778 CA GLY A 127 19.053 -4.974 -8.421 1.00 12.93 C ATOM 1779 C GLY A 127 19.423 -4.216 -9.721 1.00 15.74 C ATOM 1780 O GLY A 127 18.546 -3.583 -10.343 1.00 15.29 O ATOM 1781 HA3 GLY A 127 19.499 -4.460 -7.570 1.00 0.00 H ATOM 1782 HA2 GLY A 127 17.969 -4.983 -8.310 1.00 0.00 H ATOM 1783 H GLY A 127 20.214 -6.663 -7.730 1.00 0.00 H ATOM 1784 N GLU A 128 20.679 -4.344 -10.161 1.00 15.87 N ATOM 1785 CA GLU A 128 21.113 -3.647 -11.380 1.00 16.05 C ATOM 1786 C GLU A 128 20.470 -4.229 -12.621 1.00 15.65 C ATOM 1787 O GLU A 128 20.106 -3.478 -13.539 1.00 15.13 O ATOM 1788 CB GLU A 128 22.612 -3.572 -11.478 1.00 19.86 C ATOM 1789 CG GLU A 128 23.278 -2.797 -10.347 1.00 25.23 C ATOM 1790 CD GLU A 128 22.767 -1.334 -10.186 1.00 32.66 C ATOM 1791 OE1 GLU A 128 22.922 -0.532 -11.146 1.00 33.90 O ATOM 1792 OE2 GLU A 128 22.207 -0.972 -9.106 1.00 35.07 O ATOM 1793 HA GLU A 128 20.761 -2.618 -11.309 1.00 0.00 H ATOM 1794 HB2 GLU A 128 23.006 -4.588 -11.473 1.00 0.00 H ATOM 1795 HB3 GLU A 128 22.869 -3.089 -12.421 1.00 0.00 H ATOM 1796 HG2 GLU A 128 23.093 -3.328 -9.413 1.00 0.00 H ATOM 1797 HG3 GLU A 128 24.350 -2.765 -10.539 1.00 0.00 H ATOM 1798 H GLU A 128 21.352 -4.940 -9.638 1.00 0.00 H ATOM 1799 N ILE A 129 20.266 -5.546 -12.639 1.00 15.98 N ATOM 1800 CA ILE A 129 19.630 -6.185 -13.780 1.00 15.01 C ATOM 1801 C ILE A 129 18.169 -5.728 -13.917 1.00 15.78 C ATOM 1802 O ILE A 129 17.702 -5.368 -15.008 1.00 13.94 O ATOM 1803 CB ILE A 129 19.716 -7.722 -13.663 1.00 15.11 C ATOM 1804 CG1 ILE A 129 21.202 -8.187 -13.709 1.00 18.01 C ATOM 1805 CG2 ILE A 129 18.922 -8.432 -14.791 1.00 16.16 C ATOM 1806 CD1 ILE A 129 21.452 -9.582 -13.188 1.00 17.24 C ATOM 1807 HA ILE A 129 20.164 -5.883 -14.681 1.00 0.00 H ATOM 1808 HB ILE A 129 19.272 -7.997 -12.706 1.00 0.00 H ATOM 1809 HG12 ILE A 129 21.537 -8.148 -14.746 1.00 0.00 H ATOM 1810 HG13 ILE A 129 21.792 -7.492 -13.112 1.00 0.00 H ATOM 1811 HD11 ILE A 129 21.138 -9.641 -12.146 1.00 0.00 H ATOM 1812 HD12 ILE A 129 20.882 -10.297 -13.781 1.00 0.00 H ATOM 1813 HD13 ILE A 129 22.515 -9.811 -13.262 1.00 0.00 H ATOM 1814 HG21 ILE A 129 17.873 -8.142 -14.733 1.00 0.00 H ATOM 1815 HG22 ILE A 129 19.328 -8.139 -15.759 1.00 0.00 H ATOM 1816 HG23 ILE A 129 19.009 -9.512 -14.671 1.00 0.00 H ATOM 1817 H ILE A 129 20.565 -6.123 -11.827 1.00 0.00 H ATOM 1818 N TYR A 130 17.428 -5.785 -12.818 1.00 15.01 N ATOM 1819 CA TYR A 130 16.037 -5.404 -12.808 1.00 15.31 C ATOM 1820 C TYR A 130 15.939 -3.940 -13.162 1.00 14.37 C ATOM 1821 O TYR A 130 15.090 -3.562 -13.908 1.00 11.56 O ATOM 1822 CB TYR A 130 15.416 -5.654 -11.433 1.00 15.59 C ATOM 1823 CG TYR A 130 13.894 -5.506 -11.353 1.00 15.22 C ATOM 1824 CD1 TYR A 130 13.051 -5.683 -12.463 1.00 16.32 C ATOM 1825 CD2 TYR A 130 13.308 -5.187 -10.153 1.00 16.34 C ATOM 1826 CE1 TYR A 130 11.667 -5.530 -12.372 1.00 15.88 C ATOM 1827 CE2 TYR A 130 11.964 -5.048 -10.039 1.00 14.19 C ATOM 1828 CZ TYR A 130 11.131 -5.264 -11.128 1.00 17.39 C ATOM 1829 OH TYR A 130 9.788 -5.121 -10.964 1.00 15.81 O ATOM 1830 HA TYR A 130 15.491 -6.004 -13.536 1.00 0.00 H ATOM 1831 HB3 TYR A 130 15.859 -4.946 -10.732 1.00 0.00 H ATOM 1832 HB2 TYR A 130 15.670 -6.670 -11.131 1.00 0.00 H ATOM 1833 HD2 TYR A 130 13.936 -5.043 -9.274 1.00 0.00 H ATOM 1834 HE2 TYR A 130 11.532 -4.763 -9.080 1.00 0.00 H ATOM 1835 HE1 TYR A 130 11.031 -5.618 -13.253 1.00 0.00 H ATOM 1836 HD1 TYR A 130 13.491 -5.948 -13.424 1.00 0.00 H ATOM 1837 HH TYR A 130 9.471 -5.758 -10.276 1.00 0.00 H ATOM 1838 H TYR A 130 17.865 -6.116 -11.934 1.00 0.00 H ATOM 1839 N LYS A 131 16.846 -3.136 -12.622 1.00 14.50 N ATOM 1840 CA LYS A 131 16.900 -1.735 -12.914 1.00 17.44 C ATOM 1841 C LYS A 131 17.091 -1.483 -14.380 1.00 15.20 C ATOM 1842 O LYS A 131 16.421 -0.613 -14.918 1.00 16.49 O ATOM 1843 CB LYS A 131 17.960 -0.980 -12.068 1.00 21.18 C ATOM 1844 CG LYS A 131 17.752 0.527 -12.147 1.00 28.50 C ATOM 1845 CD LYS A 131 18.852 1.430 -11.578 1.00 30.43 C ATOM 1846 CE LYS A 131 19.213 1.089 -10.177 1.00 35.07 C ATOM 1847 NZ LYS A 131 20.169 2.170 -9.706 1.00 43.98 N ATOM 1848 HA LYS A 131 15.930 -1.328 -12.627 1.00 0.00 H ATOM 1849 HB2 LYS A 131 17.878 -1.297 -11.028 1.00 0.00 H ATOM 1850 HB3 LYS A 131 18.954 -1.223 -12.443 1.00 0.00 H ATOM 1851 HG2 LYS A 131 17.631 0.784 -13.199 1.00 0.00 H ATOM 1852 HG3 LYS A 131 16.832 0.757 -11.610 1.00 0.00 H ATOM 1853 HD2 LYS A 131 19.741 1.330 -12.201 1.00 0.00 H ATOM 1854 HD3 LYS A 131 18.504 2.463 -11.606 1.00 0.00 H ATOM 1855 HE2 LYS A 131 19.698 0.114 -10.139 1.00 0.00 H ATOM 1856 HE3 LYS A 131 18.321 1.075 -9.550 1.00 0.00 H ATOM 1857 HZ1 LYS A 131 21.011 2.177 -10.317 1.00 0.00 H ATOM 1858 HZ2 LYS A 131 19.696 3.095 -9.755 1.00 0.00 H ATOM 1859 HZ3 LYS A 131 20.453 1.976 -8.725 1.00 0.00 H ATOM 1860 H LYS A 131 17.543 -3.538 -11.963 1.00 0.00 H ATOM 1861 N ARG A 132 17.950 -2.261 -15.042 1.00 15.59 N ATOM 1862 CA ARG A 132 18.118 -2.168 -16.510 1.00 19.04 C ATOM 1863 C ARG A 132 16.783 -2.402 -17.219 1.00 17.65 C ATOM 1864 O ARG A 132 16.410 -1.633 -18.132 1.00 17.29 O ATOM 1865 CB ARG A 132 19.164 -3.193 -17.018 1.00 17.44 C ATOM 1866 CG ARG A 132 19.153 -3.426 -18.511 1.00 20.64 C ATOM 1867 CD ARG A 132 20.154 -4.500 -18.938 1.00 27.85 C ATOM 1868 NE ARG A 132 20.215 -4.603 -20.403 1.00 32.04 N ATOM 1869 CZ ARG A 132 19.455 -5.407 -21.152 1.00 29.76 C ATOM 1870 NH1 ARG A 132 18.551 -6.246 -20.618 1.00 27.09 N ATOM 1871 NH2 ARG A 132 19.607 -5.374 -22.456 1.00 35.58 N ATOM 1872 HA ARG A 132 18.475 -1.164 -16.739 1.00 0.00 H ATOM 1873 HB2 ARG A 132 20.154 -2.834 -16.738 1.00 0.00 H ATOM 1874 HB3 ARG A 132 18.972 -4.146 -16.525 1.00 0.00 H ATOM 1875 HG2 ARG A 132 18.153 -3.740 -18.810 1.00 0.00 H ATOM 1876 HG3 ARG A 132 19.405 -2.492 -19.014 1.00 0.00 H ATOM 1877 HD2 ARG A 132 19.846 -5.460 -18.524 1.00 0.00 H ATOM 1878 HD3 ARG A 132 21.141 -4.241 -18.556 1.00 0.00 H ATOM 1879 HE ARG A 132 20.905 -4.002 -20.896 1.00 0.00 H ATOM 1880 HH12 ARG A 132 17.979 -6.856 -21.236 1.00 0.00 H ATOM 1881 HH11 ARG A 132 18.424 -6.285 -19.587 1.00 0.00 H ATOM 1882 HH22 ARG A 132 19.028 -5.989 -23.063 1.00 0.00 H ATOM 1883 HH21 ARG A 132 20.306 -4.733 -22.882 1.00 0.00 H ATOM 1884 H ARG A 132 18.518 -2.952 -14.511 1.00 0.00 H ATOM 1885 N TRP A 133 16.073 -3.475 -16.843 1.00 15.56 N ATOM 1886 CA TRP A 133 14.750 -3.756 -17.443 1.00 17.05 C ATOM 1887 C TRP A 133 13.768 -2.575 -17.296 1.00 17.07 C ATOM 1888 O TRP A 133 13.045 -2.184 -18.233 1.00 15.00 O ATOM 1889 CB TRP A 133 14.118 -5.023 -16.864 1.00 13.90 C ATOM 1890 CG TRP A 133 14.966 -6.225 -16.995 1.00 17.10 C ATOM 1891 CD1 TRP A 133 16.147 -6.365 -17.690 1.00 18.41 C ATOM 1892 CD2 TRP A 133 14.717 -7.487 -16.383 1.00 14.82 C ATOM 1893 NE1 TRP A 133 16.652 -7.652 -17.514 1.00 16.52 N ATOM 1894 CE2 TRP A 133 15.767 -8.360 -16.754 1.00 14.70 C ATOM 1895 CE3 TRP A 133 13.708 -7.971 -15.549 1.00 15.99 C ATOM 1896 CZ2 TRP A 133 15.822 -9.665 -16.309 1.00 16.04 C ATOM 1897 CZ3 TRP A 133 13.767 -9.276 -15.134 1.00 19.14 C ATOM 1898 CH2 TRP A 133 14.810 -10.096 -15.514 1.00 13.83 C ATOM 1899 HA TRP A 133 14.938 -3.910 -18.506 1.00 0.00 H ATOM 1900 HB2 TRP A 133 13.920 -4.856 -15.805 1.00 0.00 H ATOM 1901 HB3 TRP A 133 13.178 -5.207 -17.384 1.00 0.00 H ATOM 1902 HE1 TRP A 133 17.550 -8.011 -17.897 1.00 0.00 H ATOM 1903 HD1 TRP A 133 16.617 -5.585 -18.289 1.00 0.00 H ATOM 1904 HZ2 TRP A 133 16.646 -10.324 -16.585 1.00 0.00 H ATOM 1905 HH2 TRP A 133 14.821 -11.128 -15.163 1.00 0.00 H ATOM 1906 HZ3 TRP A 133 12.978 -9.672 -14.494 1.00 0.00 H ATOM 1907 HE3 TRP A 133 12.889 -7.324 -15.234 1.00 0.00 H ATOM 1908 H TRP A 133 16.457 -4.118 -16.121 1.00 0.00 H ATOM 1909 N ILE A 134 13.734 -2.028 -16.103 1.00 13.82 N ATOM 1910 CA ILE A 134 12.836 -0.916 -15.801 1.00 15.22 C ATOM 1911 C ILE A 134 13.184 0.326 -16.628 1.00 15.00 C ATOM 1912 O ILE A 134 12.299 0.986 -17.256 1.00 17.55 O ATOM 1913 CB ILE A 134 12.853 -0.626 -14.289 1.00 13.99 C ATOM 1914 CG1 ILE A 134 12.247 -1.798 -13.480 1.00 16.52 C ATOM 1915 CG2 ILE A 134 12.102 0.671 -13.972 1.00 13.09 C ATOM 1916 CD1 ILE A 134 12.610 -1.725 -12.001 1.00 17.89 C ATOM 1917 HA ILE A 134 11.821 -1.199 -16.081 1.00 0.00 H ATOM 1918 HB ILE A 134 13.896 -0.510 -13.994 1.00 0.00 H ATOM 1919 HG12 ILE A 134 11.162 -1.768 -13.577 1.00 0.00 H ATOM 1920 HG13 ILE A 134 12.621 -2.737 -13.888 1.00 0.00 H ATOM 1921 HD11 ILE A 134 13.694 -1.762 -11.892 1.00 0.00 H ATOM 1922 HD12 ILE A 134 12.233 -0.792 -11.581 1.00 0.00 H ATOM 1923 HD13 ILE A 134 12.162 -2.569 -11.476 1.00 0.00 H ATOM 1924 HG21 ILE A 134 12.577 1.501 -14.494 1.00 0.00 H ATOM 1925 HG22 ILE A 134 11.067 0.579 -14.300 1.00 0.00 H ATOM 1926 HG23 ILE A 134 12.129 0.852 -12.897 1.00 0.00 H ATOM 1927 H ILE A 134 14.360 -2.394 -15.357 1.00 0.00 H ATOM 1928 N ILE A 135 14.469 0.633 -16.689 1.00 13.27 N ATOM 1929 CA ILE A 135 14.895 1.783 -17.475 1.00 16.77 C ATOM 1930 C ILE A 135 14.617 1.583 -18.971 1.00 18.22 C ATOM 1931 O ILE A 135 14.190 2.522 -19.685 1.00 17.20 O ATOM 1932 CB ILE A 135 16.362 2.129 -17.201 1.00 15.92 C ATOM 1933 CG1 ILE A 135 16.453 2.659 -15.768 1.00 19.41 C ATOM 1934 CG2 ILE A 135 16.887 3.195 -18.192 1.00 21.61 C ATOM 1935 CD1 ILE A 135 17.883 2.883 -15.324 1.00 25.99 C ATOM 1936 HA ILE A 135 14.298 2.639 -17.159 1.00 0.00 H ATOM 1937 HB ILE A 135 16.977 1.238 -17.330 1.00 0.00 H ATOM 1938 HG12 ILE A 135 15.916 3.606 -15.710 1.00 0.00 H ATOM 1939 HG13 ILE A 135 15.987 1.937 -15.097 1.00 0.00 H ATOM 1940 HD11 ILE A 135 18.428 1.940 -15.370 1.00 0.00 H ATOM 1941 HD12 ILE A 135 18.357 3.611 -15.983 1.00 0.00 H ATOM 1942 HD13 ILE A 135 17.890 3.259 -14.301 1.00 0.00 H ATOM 1943 HG21 ILE A 135 16.806 2.814 -19.210 1.00 0.00 H ATOM 1944 HG22 ILE A 135 16.293 4.104 -18.094 1.00 0.00 H ATOM 1945 HG23 ILE A 135 17.931 3.415 -17.967 1.00 0.00 H ATOM 1946 H ILE A 135 15.170 0.058 -16.180 1.00 0.00 H ATOM 1947 N LEU A 136 14.824 0.370 -19.463 1.00 17.92 N ATOM 1948 CA LEU A 136 14.382 0.087 -20.827 1.00 18.82 C ATOM 1949 C LEU A 136 12.882 0.394 -21.003 1.00 21.04 C ATOM 1950 O LEU A 136 12.480 1.035 -21.971 1.00 22.56 O ATOM 1951 CB LEU A 136 14.701 -1.317 -21.196 1.00 18.04 C ATOM 1952 CG LEU A 136 16.176 -1.698 -21.475 1.00 22.47 C ATOM 1953 CD1 LEU A 136 16.269 -3.219 -21.568 1.00 21.65 C ATOM 1954 CD2 LEU A 136 16.733 -1.034 -22.744 1.00 27.09 C ATOM 1955 HA LEU A 136 14.925 0.744 -21.507 1.00 0.00 H ATOM 1956 HB2 LEU A 136 14.355 -1.950 -20.379 1.00 0.00 H ATOM 1957 HB3 LEU A 136 14.134 -1.548 -22.098 1.00 0.00 H ATOM 1958 HG LEU A 136 16.791 -1.328 -20.654 1.00 0.00 H ATOM 1959 HD21 LEU A 136 16.140 -1.344 -23.605 1.00 0.00 H ATOM 1960 HD22 LEU A 136 16.683 0.050 -22.637 1.00 0.00 H ATOM 1961 HD23 LEU A 136 17.770 -1.339 -22.887 1.00 0.00 H ATOM 1962 HD11 LEU A 136 15.940 -3.660 -20.627 1.00 0.00 H ATOM 1963 HD12 LEU A 136 15.631 -3.572 -22.379 1.00 0.00 H ATOM 1964 HD13 LEU A 136 17.302 -3.507 -21.764 1.00 0.00 H ATOM 1965 H LEU A 136 15.290 -0.363 -18.892 1.00 0.00 H ATOM 1966 N GLY A 137 12.059 -0.078 -20.072 1.00 21.25 N ATOM 1967 CA GLY A 137 10.618 0.212 -20.063 1.00 22.87 C ATOM 1968 C GLY A 137 10.272 1.708 -20.036 1.00 19.93 C ATOM 1969 O GLY A 137 9.390 2.193 -20.772 1.00 20.19 O ATOM 1970 HA3 GLY A 137 10.181 -0.255 -19.180 1.00 0.00 H ATOM 1971 HA2 GLY A 137 10.177 -0.224 -20.959 1.00 0.00 H ATOM 1972 H GLY A 137 12.451 -0.678 -19.318 1.00 0.00 H ATOM 1973 N LEU A 138 10.989 2.454 -19.212 1.00 16.27 N ATOM 1974 CA LEU A 138 10.708 3.856 -19.024 1.00 19.67 C ATOM 1975 C LEU A 138 11.121 4.650 -20.267 1.00 18.94 C ATOM 1976 O LEU A 138 10.492 5.677 -20.617 1.00 22.66 O ATOM 1977 CB LEU A 138 11.456 4.366 -17.790 1.00 19.79 C ATOM 1978 CG LEU A 138 10.908 3.876 -16.455 1.00 23.06 C ATOM 1979 CD1 LEU A 138 11.835 4.384 -15.338 1.00 28.00 C ATOM 1980 CD2 LEU A 138 9.472 4.282 -16.219 1.00 25.98 C ATOM 1981 HA LEU A 138 9.637 3.991 -18.872 1.00 0.00 H ATOM 1982 HB2 LEU A 138 12.495 4.045 -17.868 1.00 0.00 H ATOM 1983 HB3 LEU A 138 11.412 5.455 -17.794 1.00 0.00 H ATOM 1984 HG LEU A 138 10.894 2.786 -16.463 1.00 0.00 H ATOM 1985 HD21 LEU A 138 9.397 5.369 -16.228 1.00 0.00 H ATOM 1986 HD22 LEU A 138 8.844 3.866 -17.007 1.00 0.00 H ATOM 1987 HD23 LEU A 138 9.143 3.902 -15.252 1.00 0.00 H ATOM 1988 HD11 LEU A 138 12.840 3.994 -15.496 1.00 0.00 H ATOM 1989 HD12 LEU A 138 11.860 5.474 -15.356 1.00 0.00 H ATOM 1990 HD13 LEU A 138 11.460 4.043 -14.373 1.00 0.00 H ATOM 1991 H LEU A 138 11.774 2.019 -18.687 1.00 0.00 H ATOM 1992 N ASN A 139 12.181 4.190 -20.933 1.00 18.55 N ATOM 1993 CA ASN A 139 12.636 4.875 -22.145 1.00 22.66 C ATOM 1994 C ASN A 139 11.551 4.745 -23.198 1.00 22.57 C ATOM 1995 O ASN A 139 11.315 5.716 -23.923 1.00 23.70 O ATOM 1996 CB ASN A 139 13.968 4.345 -22.671 1.00 25.24 C ATOM 1997 CG ASN A 139 15.193 4.893 -21.912 1.00 27.26 C ATOM 1998 OD1 ASN A 139 16.125 4.165 -21.627 1.00 41.25 O ATOM 1999 ND2 ASN A 139 15.201 6.146 -21.627 1.00 33.91 N ATOM 2000 HA ASN A 139 12.814 5.922 -21.900 1.00 0.00 H ATOM 2001 HB2 ASN A 139 13.966 3.259 -22.584 1.00 0.00 H ATOM 2002 HB3 ASN A 139 14.060 4.624 -23.721 1.00 0.00 H ATOM 2003 HD22 ASN A 139 14.389 6.743 -21.884 1.00 0.00 H ATOM 2004 HD21 ASN A 139 16.020 6.563 -21.140 1.00 0.00 H ATOM 2005 H ASN A 139 12.684 3.346 -20.592 1.00 0.00 H ATOM 2006 N LYS A 140 10.865 3.588 -23.246 1.00 22.81 N ATOM 2007 CA LYS A 140 9.809 3.358 -24.242 1.00 22.12 C ATOM 2008 C LYS A 140 8.620 4.231 -23.876 1.00 25.50 C ATOM 2009 O LYS A 140 7.961 4.770 -24.769 1.00 26.00 O ATOM 2010 CB LYS A 140 9.313 1.937 -24.325 1.00 27.45 C ATOM 2011 CG LYS A 140 10.333 0.856 -24.730 1.00 33.96 C ATOM 2012 CD LYS A 140 9.584 -0.433 -25.080 1.00 38.72 C ATOM 2013 CE LYS A 140 10.266 -1.710 -24.608 1.00 46.05 C ATOM 2014 NZ LYS A 140 9.312 -2.879 -24.706 1.00 43.17 N ATOM 2015 HA LYS A 140 10.250 3.596 -25.210 1.00 0.00 H ATOM 2016 HB2 LYS A 140 8.923 1.668 -23.343 1.00 0.00 H ATOM 2017 HB3 LYS A 140 8.504 1.914 -25.055 1.00 0.00 H ATOM 2018 HG2 LYS A 140 10.901 1.196 -25.596 1.00 0.00 H ATOM 2019 HG3 LYS A 140 11.015 0.668 -23.901 1.00 0.00 H ATOM 2020 HD2 LYS A 140 8.595 -0.387 -24.624 1.00 0.00 H ATOM 2021 HD3 LYS A 140 9.481 -0.483 -26.164 1.00 0.00 H ATOM 2022 HE2 LYS A 140 10.581 -1.588 -23.572 1.00 0.00 H ATOM 2023 HE3 LYS A 140 11.139 -1.904 -25.232 1.00 0.00 H ATOM 2024 HZ1 LYS A 140 8.480 -2.697 -24.110 1.00 0.00 H ATOM 2025 HZ2 LYS A 140 9.012 -2.998 -25.695 1.00 0.00 H ATOM 2026 HZ3 LYS A 140 9.790 -3.743 -24.381 1.00 0.00 H ATOM 2027 H LYS A 140 11.088 2.838 -22.561 1.00 0.00 H ATOM 2028 N ILE A 141 8.326 4.370 -22.580 1.00 23.34 N ATOM 2029 CA ILE A 141 7.222 5.239 -22.156 1.00 25.18 C ATOM 2030 C ILE A 141 7.508 6.721 -22.471 1.00 23.74 C ATOM 2031 O ILE A 141 6.665 7.426 -23.016 1.00 27.64 O ATOM 2032 CB ILE A 141 6.889 5.063 -20.645 1.00 25.33 C ATOM 2033 CG1 ILE A 141 6.365 3.635 -20.357 1.00 27.90 C ATOM 2034 CG2 ILE A 141 5.824 6.066 -20.201 1.00 28.90 C ATOM 2035 CD1 ILE A 141 6.702 3.089 -18.973 1.00 30.53 C ATOM 2036 HA ILE A 141 6.349 4.930 -22.731 1.00 0.00 H ATOM 2037 HB ILE A 141 7.811 5.235 -20.090 1.00 0.00 H ATOM 2038 HG12 ILE A 141 5.280 3.646 -20.461 1.00 0.00 H ATOM 2039 HG13 ILE A 141 6.793 2.962 -21.099 1.00 0.00 H ATOM 2040 HD11 ILE A 141 7.785 3.055 -18.851 1.00 0.00 H ATOM 2041 HD12 ILE A 141 6.270 3.739 -18.212 1.00 0.00 H ATOM 2042 HD13 ILE A 141 6.291 2.085 -18.870 1.00 0.00 H ATOM 2043 HG21 ILE A 141 6.191 7.079 -20.364 1.00 0.00 H ATOM 2044 HG22 ILE A 141 4.915 5.909 -20.781 1.00 0.00 H ATOM 2045 HG23 ILE A 141 5.610 5.922 -19.142 1.00 0.00 H ATOM 2046 H ILE A 141 8.884 3.859 -21.866 1.00 0.00 H ATOM 2047 N VAL A 142 8.692 7.186 -22.086 1.00 24.77 N ATOM 2048 CA VAL A 142 9.129 8.559 -22.339 1.00 26.56 C ATOM 2049 C VAL A 142 9.016 8.883 -23.847 1.00 30.27 C ATOM 2050 O VAL A 142 8.454 9.942 -24.248 1.00 31.51 O ATOM 2051 CB VAL A 142 10.555 8.792 -21.748 1.00 25.66 C ATOM 2052 CG1 VAL A 142 11.262 9.993 -22.376 1.00 35.21 C ATOM 2053 CG2 VAL A 142 10.458 8.962 -20.238 1.00 31.63 C ATOM 2054 HA VAL A 142 8.473 9.262 -21.826 1.00 0.00 H ATOM 2055 HB VAL A 142 11.158 7.915 -21.985 1.00 0.00 H ATOM 2056 HG11 VAL A 142 11.366 9.832 -23.449 1.00 0.00 H ATOM 2057 HG12 VAL A 142 10.674 10.893 -22.198 1.00 0.00 H ATOM 2058 HG13 VAL A 142 12.249 10.108 -21.927 1.00 0.00 H ATOM 2059 HG21 VAL A 142 9.825 9.820 -20.010 1.00 0.00 H ATOM 2060 HG22 VAL A 142 10.025 8.063 -19.799 1.00 0.00 H ATOM 2061 HG23 VAL A 142 11.454 9.125 -19.827 1.00 0.00 H ATOM 2062 H VAL A 142 9.337 6.545 -21.582 1.00 0.00 H ATOM 2063 N ARG A 143 9.501 7.956 -24.673 1.00 26.78 N ATOM 2064 CA ARG A 143 9.435 8.082 -26.147 1.00 34.25 C ATOM 2065 C ARG A 143 7.997 8.336 -26.604 1.00 30.90 C ATOM 2066 O ARG A 143 7.728 9.310 -27.348 1.00 36.00 O ATOM 2067 CB ARG A 143 10.042 6.825 -26.786 1.00 35.17 C ATOM 2068 CG ARG A 143 9.887 6.647 -28.286 1.00 38.09 C ATOM 2069 CD ARG A 143 11.054 7.122 -29.170 1.00 40.02 C ATOM 2070 NE ARG A 143 12.446 7.108 -28.657 1.00 39.79 N ATOM 2071 CZ ARG A 143 13.468 6.433 -29.203 1.00 34.06 C ATOM 2072 NH1 ARG A 143 13.289 5.617 -30.253 1.00 40.63 N ATOM 2073 NH2 ARG A 143 14.693 6.555 -28.688 1.00 35.80 N ATOM 2074 HA ARG A 143 10.018 8.943 -26.474 1.00 0.00 H ATOM 2075 HB2 ARG A 143 11.110 6.833 -26.568 1.00 0.00 H ATOM 2076 HB3 ARG A 143 9.581 5.961 -26.307 1.00 0.00 H ATOM 2077 HG2 ARG A 143 9.740 5.584 -28.478 1.00 0.00 H ATOM 2078 HG3 ARG A 143 8.997 7.197 -28.592 1.00 0.00 H ATOM 2079 HD2 ARG A 143 10.835 8.153 -29.449 1.00 0.00 H ATOM 2080 HD3 ARG A 143 11.044 6.496 -30.062 1.00 0.00 H ATOM 2081 HE ARG A 143 12.646 7.668 -27.804 1.00 0.00 H ATOM 2082 HH12 ARG A 143 14.099 5.105 -30.658 1.00 0.00 H ATOM 2083 HH11 ARG A 143 12.341 5.497 -30.662 1.00 0.00 H ATOM 2084 HH22 ARG A 143 15.488 6.033 -29.109 1.00 0.00 H ATOM 2085 HH21 ARG A 143 14.852 7.172 -27.866 1.00 0.00 H ATOM 2086 H ARG A 143 9.945 7.108 -24.265 1.00 0.00 H ATOM 2087 N MET A 144 7.089 7.480 -26.142 1.00 27.39 N ATOM 2088 CA MET A 144 5.657 7.606 -26.363 1.00 30.21 C ATOM 2089 C MET A 144 5.046 8.978 -25.982 1.00 32.67 C ATOM 2090 O MET A 144 4.144 9.456 -26.654 1.00 39.95 O ATOM 2091 CB MET A 144 4.957 6.490 -25.603 1.00 33.06 C ATOM 2092 CG MET A 144 3.451 6.430 -25.744 1.00 46.05 C ATOM 2093 SD MET A 144 2.813 4.865 -25.089 1.00 53.38 S ATOM 2094 CE MET A 144 2.539 5.259 -23.351 1.00 42.60 C ATOM 2095 HA MET A 144 5.501 7.528 -27.439 1.00 0.00 H ATOM 2096 HB2 MET A 144 5.363 5.542 -25.955 1.00 0.00 H ATOM 2097 HB3 MET A 144 5.188 6.612 -24.545 1.00 0.00 H ATOM 2098 HG2 MET A 144 3.186 6.513 -26.798 1.00 0.00 H ATOM 2099 HG3 MET A 144 3.006 7.258 -25.192 1.00 0.00 H ATOM 2100 HE1 MET A 144 3.483 5.558 -22.894 1.00 0.00 H ATOM 2101 HE2 MET A 144 1.822 6.076 -23.274 1.00 0.00 H ATOM 2102 HE3 MET A 144 2.148 4.381 -22.838 1.00 0.00 H ATOM 2103 H MET A 144 7.425 6.668 -25.586 1.00 0.00 H ATOM 2104 N TYR A 145 5.533 9.594 -24.908 1.00 23.88 N ATOM 2105 CA TYR A 145 5.080 10.923 -24.457 1.00 27.96 C ATOM 2106 C TYR A 145 5.838 12.064 -25.085 1.00 32.34 C ATOM 2107 O TYR A 145 5.600 13.220 -24.731 1.00 42.84 O ATOM 2108 CB TYR A 145 5.254 11.065 -22.944 1.00 25.75 C ATOM 2109 CG TYR A 145 4.185 10.354 -22.110 1.00 33.73 C ATOM 2110 CD1 TYR A 145 4.053 8.952 -22.139 1.00 35.91 C ATOM 2111 CD2 TYR A 145 3.287 11.088 -21.315 1.00 34.82 C ATOM 2112 CE1 TYR A 145 3.074 8.300 -21.389 1.00 36.79 C ATOM 2113 CE2 TYR A 145 2.308 10.446 -20.549 1.00 34.81 C ATOM 2114 CZ TYR A 145 2.207 9.048 -20.587 1.00 40.35 C ATOM 2115 OH TYR A 145 1.232 8.402 -19.840 1.00 42.73 O ATOM 2116 HA TYR A 145 4.034 10.981 -24.759 1.00 0.00 H ATOM 2117 HB3 TYR A 145 5.228 12.126 -22.697 1.00 0.00 H ATOM 2118 HB2 TYR A 145 6.226 10.653 -22.673 1.00 0.00 H ATOM 2119 HD2 TYR A 145 3.355 12.176 -21.295 1.00 0.00 H ATOM 2120 HE2 TYR A 145 1.628 11.029 -19.927 1.00 0.00 H ATOM 2121 HE1 TYR A 145 2.986 7.214 -21.428 1.00 0.00 H ATOM 2122 HD1 TYR A 145 4.729 8.365 -22.760 1.00 0.00 H ATOM 2123 HH TYR A 145 1.302 7.425 -19.983 1.00 0.00 H ATOM 2124 H TYR A 145 6.272 9.113 -24.357 1.00 0.00 H ATOM 2125 N SER A 146 6.737 11.774 -26.017 1.00 31.10 N ATOM 2126 CA SER A 146 7.564 12.828 -26.642 1.00 37.57 C ATOM 2127 C SER A 146 6.895 13.681 -27.730 1.00 48.36 C ATOM 2128 O SER A 146 6.305 13.149 -28.674 1.00 57.11 O ATOM 2129 CB SER A 146 8.859 12.219 -27.186 1.00 38.90 C ATOM 2130 OG SER A 146 9.705 11.965 -26.091 1.00 54.90 O ATOM 2131 HA SER A 146 7.753 13.531 -25.831 1.00 0.00 H ATOM 2132 HB2 SER A 146 9.339 12.917 -27.872 1.00 0.00 H ATOM 2133 HB3 SER A 146 8.641 11.289 -27.710 1.00 0.00 H ATOM 2134 HG SER A 146 9.261 11.333 -25.472 1.00 0.00 H ATOM 2135 H SER A 146 6.862 10.785 -26.314 1.00 0.00 H TER 2136 SER A 146 HETATM 2137 O HOH 1 24.550 2.397 -2.787 1.00 46.95 O HETATM 2138 O HOH 2 25.782 4.535 3.932 1.00 40.75 O HETATM 2139 O HOH 3 29.433 -7.611 1.031 1.00 36.11 O HETATM 2140 O HOH 4 30.234 1.570 10.000 1.00 44.24 O HETATM 2141 O HOH 5 26.177 -0.169 9.188 1.00 28.38 O HETATM 2142 O HOH 6 32.063 2.837 12.049 1.00 49.52 O HETATM 2143 O HOH 7 37.520 0.484 3.207 1.00 43.40 O HETATM 2144 O HOH 8 28.126 -7.918 2.860 1.00 46.60 O HETATM 2145 O HOH 9 31.152 -5.423 -2.759 1.00 50.25 O HETATM 2146 O HOH 10 15.407 -3.592 0.191 1.00 18.91 O HETATM 2147 O HOH 11 14.468 -4.514 5.862 1.00 47.29 O HETATM 2148 O HOH 12 17.750 3.964 2.772 1.00 45.49 O HETATM 2149 O HOH 13 16.495 5.173 0.202 1.00 30.95 O HETATM 2150 O HOH 14 6.227 13.423 -1.838 1.00 48.12 O HETATM 2151 O HOH 15 -2.798 8.698 -18.566 1.00 44.64 O HETATM 2152 O HOH 16 5.737 7.764 -8.040 1.00 33.05 O HETATM 2153 O HOH 17 12.007 19.135 -2.839 1.00 59.21 O HETATM 2154 O HOH 18 8.644 -12.419 -24.756 1.00 34.37 O HETATM 2155 O HOH 19 18.943 -11.693 -21.321 1.00 36.34 O HETATM 2156 O HOH 20 17.489 -4.500 -25.599 1.00 40.14 O HETATM 2157 O HOH 21 16.230 -2.587 -26.347 1.00 48.30 O HETATM 2158 O HOH 22 3.895 14.734 -3.846 1.00 43.55 O HETATM 2159 O HOH 23 24.836 -11.989 -13.120 1.00 44.49 O HETATM 2160 O HOH 24 24.765 -9.041 -14.838 1.00 59.16 O HETATM 2161 O HOH 25 13.053 -18.802 1.428 1.00 29.88 O HETATM 2162 O HOH 26 22.350 7.371 -3.045 1.00 45.27 O HETATM 2163 O HOH 27 29.357 -7.209 -1.779 1.00 29.90 O HETATM 2164 O HOH 28 21.514 -2.414 -7.204 1.00 31.75 O HETATM 2165 O HOH 29 21.629 -7.057 -17.579 1.00 46.48 O HETATM 2166 O HOH 30 8.526 -4.537 -2.641 1.00 31.44 O HETATM 2167 O HOH 31 11.019 3.711 -27.859 1.00 43.11 O HETATM 2168 O HOH 32 8.065 -7.253 -10.354 1.00 25.78 O HETATM 2169 O HOH 33 9.124 -6.565 -4.145 1.00 28.02 O HETATM 2170 O HOH 34 4.825 1.339 -2.925 1.00 38.56 O HETATM 2171 O HOH 35 10.945 -1.327 0.210 1.00 54.66 O HETATM 2172 O HOH 36 2.005 1.465 -10.110 1.00 37.31 O HETATM 2173 O HOH 37 -0.036 1.501 -7.993 1.00 50.49 O HETATM 2174 O HOH 38 1.203 -0.796 -8.992 1.00 47.44 O HETATM 2175 O HOH 39 -0.873 3.314 -12.278 1.00 55.85 O HETATM 2176 O HOH 40 -0.340 6.169 -19.080 1.00 55.00 O HETATM 2177 O HOH 41 -3.413 6.021 -18.802 1.00 49.86 O HETATM 2178 O HOH 42 7.518 0.033 -21.380 1.00 51.67 O HETATM 2179 O HOH 43 7.649 -13.129 -18.582 1.00 26.68 O HETATM 2180 O HOH 44 3.634 -9.394 -21.210 1.00 31.22 O HETATM 2181 O HOH 45 7.003 -10.954 -22.926 1.00 47.84 O HETATM 2182 O HOH 46 11.218 -12.230 -24.353 1.00 27.78 O HETATM 2183 O HOH 47 9.195 -9.328 -27.546 1.00 60.82 O HETATM 2184 O HOH 48 16.969 -10.112 -20.287 1.00 25.94 O HETATM 2185 O HOH 49 17.407 -6.038 -23.763 1.00 43.37 O HETATM 2186 O HOH 50 16.853 -8.685 -23.479 1.00 37.09 O HETATM 2187 O HOH 51 11.716 -17.951 -21.105 1.00 36.72 O HETATM 2188 O HOH 52 18.734 -11.631 -26.099 1.00 34.60 O HETATM 2189 O HOH 53 20.412 -17.323 -13.305 1.00 30.78 O HETATM 2190 O HOH 54 11.124 -16.549 -14.192 1.00 25.55 O HETATM 2191 O HOH 55 19.641 -19.500 -27.066 1.00 50.28 O HETATM 2192 O HOH 56 15.927 -21.390 -25.905 1.00 53.93 O HETATM 2193 O HOH 57 21.740 -21.391 -16.284 1.00 31.23 O HETATM 2194 O HOH 58 24.036 -13.781 -16.377 1.00 35.66 O HETATM 2195 O HOH 59 19.693 -18.115 -3.305 1.00 46.76 O HETATM 2196 O HOH 60 17.644 -19.466 -1.817 1.00 47.87 O HETATM 2197 O HOH 61 16.393 -20.891 -8.760 1.00 31.99 O HETATM 2198 O HOH 62 20.162 -22.696 -9.488 1.00 39.69 O HETATM 2199 O HOH 63 22.828 -16.310 -12.732 1.00 34.63 O HETATM 2200 O HOH 64 25.866 -21.767 -11.478 1.00 52.07 O HETATM 2201 O HOH 65 10.889 -18.792 -12.064 1.00 29.36 O HETATM 2202 O HOH 66 9.185 -11.064 -2.987 1.00 28.22 O HETATM 2203 O HOH 67 10.911 -8.432 -3.514 1.00 30.77 O HETATM 2204 O HOH 68 7.412 -9.433 -3.565 1.00 34.10 O HETATM 2205 O HOH 69 5.891 -13.944 -10.980 1.00 29.36 O HETATM 2206 O HOH 70 10.841 -17.251 -2.477 1.00 23.39 O HETATM 2207 O HOH 71 11.004 -9.855 -1.158 1.00 40.39 O HETATM 2208 O HOH 72 15.143 -16.464 1.702 1.00 37.07 O HETATM 2209 O HOH 73 14.092 -12.187 3.608 1.00 29.35 O HETATM 2210 O HOH 74 21.189 -12.967 2.837 1.00 34.85 O HETATM 2211 O HOH 75 21.036 -15.688 -2.538 1.00 27.04 O HETATM 2212 O HOH 76 12.770 -18.873 -1.545 1.00 26.01 O HETATM 2213 O HOH 77 26.389 -13.688 -0.912 1.00 41.53 O HETATM 2214 O HOH 78 24.870 -6.119 -6.703 1.00 27.35 O HETATM 2215 O HOH 79 25.017 -4.841 -4.079 1.00 23.89 O HETATM 2216 O HOH 80 28.563 -13.111 0.698 1.00 48.42 O HETATM 2217 O HOH 81 30.623 -9.699 -3.080 1.00 33.80 O HETATM 2218 O HOH 82 30.041 -10.484 -0.166 1.00 40.97 O HETATM 2219 O HOH 83 22.340 -5.324 -7.842 1.00 14.82 O HETATM 2220 O HOH 84 21.156 -1.135 -13.926 1.00 23.81 O HETATM 2221 O HOH 85 24.171 -5.967 -14.045 1.00 35.55 O HETATM 2222 O HOH 86 18.975 -8.675 -18.606 1.00 28.72 O HETATM 2223 O HOH 87 13.784 1.001 -24.367 1.00 31.74 O HETATM 2224 O HOH 88 12.889 3.595 -26.148 1.00 38.13 O HETATM 2225 O HOH 89 13.114 7.713 -24.643 1.00 35.15 O HETATM 2226 O HOH 90 16.040 2.136 -23.837 1.00 41.84 O HETATM 2227 O HOH 91 7.917 3.947 -27.236 1.00 30.66 O HETATM 2228 O HOH 92 16.234 8.862 -26.694 1.00 37.90 O HETATM 2229 O HOH 93 -3.193 -23.213 -11.287 1.00 54.23 O HETATM 2230 O HOH 94 8.352 -14.915 -17.409 1.00 58.12 O HETATM 2231 O HOH 95 -3.904 -10.379 -13.100 1.00 47.05 O HETATM 2232 O HOH 96 3.076 -17.322 -5.400 1.00 59.96 O HETATM 2233 O HOH 97 -1.306 -13.696 -9.894 1.00 37.72 O HETATM 2234 O HOH 98 -4.082 -19.973 -7.477 1.00 43.41 O HETATM 2235 O HOH 99 26.072 -4.581 -12.497 1.00 43.65 O HETATM 2236 N PRO A 100 3.480 -15.194 -17.898 1.00 0.25 N HETATM 2237 CA PRO A 100 4.419 -14.085 -17.640 1.00 0.07 C HETATM 2238 C PRO A 100 4.806 -13.907 -16.173 1.00 0.23 C HETATM 2239 O PRO A 100 4.240 -14.541 -15.293 1.00 -0.39 O HETATM 2240 N PRO A 100 5.748 -13.004 -15.910 1.00 -0.26 N HETATM 2241 CA PRO A 100 6.148 -12.684 -14.532 1.00 0.13 C HETATM 2242 C PRO A 100 5.053 -11.809 -13.894 1.00 0.20 C HETATM 2243 O PRO A 100 4.668 -12.020 -12.738 1.00 -0.39 O HETATM 2244 N PRO A 100 4.575 -10.830 -14.664 1.00 -0.26 N HETATM 2245 CA PRO A 100 3.582 -9.856 -14.213 1.00 0.13 C HETATM 2246 C PRO A 100 2.303 -9.829 -15.080 1.00 0.20 C HETATM 2247 O PRO A 100 2.317 -9.480 -16.266 1.00 -0.39 O HETATM 2248 N PRO A 100 1.195 -10.197 -14.445 1.00 -0.26 N HETATM 2249 CA PRO A 100 -0.114 -10.130 -15.076 1.00 0.14 C HETATM 2250 C PRO A 100 -0.675 -8.705 -15.051 1.00 0.21 C HETATM 2251 O PRO A 100 -0.314 -7.896 -14.184 1.00 -0.39 O HETATM 2252 N PRO A 100 -1.544 -8.377 -16.020 1.00 -0.25 N HETATM 2253 CA PRO A 100 -2.135 -7.031 -15.978 1.00 0.13 C HETATM 2254 C PRO A 100 -2.988 -6.867 -14.730 1.00 0.20 C HETATM 2255 O PRO A 100 -3.890 -7.684 -14.489 1.00 -0.39 O HETATM 2256 N PRO A 100 -2.698 -5.843 -13.928 1.00 -0.27 N HETATM 2257 CA PRO A 100 -3.294 -5.754 -12.597 1.00 0.12 C HETATM 2258 C PRO A 100 -2.803 -6.916 -11.735 1.00 0.20 C HETATM 2259 O PRO A 100 -3.582 -7.739 -11.222 1.00 -0.39 O HETATM 2260 N PRO A 100 -1.481 -7.034 -11.689 1.00 -0.26 N HETATM 2261 CA PRO A 100 -0.760 -7.715 -10.619 1.00 0.13 C HETATM 2262 C PRO A 100 0.281 -6.642 -10.266 1.00 0.21 C HETATM 2263 O PRO A 100 0.983 -6.180 -11.142 1.00 -0.39 O HETATM 2264 N PRO A 100 0.307 -6.165 -9.012 1.00 -0.25 N HETATM 2265 CA PRO A 100 1.320 -5.183 -8.685 1.00 0.13 C HETATM 2266 C PRO A 100 2.727 -5.692 -8.961 1.00 0.20 C HETATM 2267 O PRO A 100 3.011 -6.906 -8.871 1.00 -0.39 O HETATM 2268 N PRO A 100 3.595 -4.742 -9.263 1.00 -0.26 N HETATM 2269 CA PRO A 100 5.031 -5.029 -9.342 1.00 0.14 C HETATM 2270 C PRO A 100 5.459 -5.722 -8.029 1.00 0.21 C HETATM 2271 O PRO A 100 5.051 -5.332 -6.941 1.00 -0.39 O HETATM 2272 N PRO A 100 6.190 -6.839 -8.127 1.00 -0.27 N HETATM 2273 CA PRO A 100 6.669 -7.533 -6.943 1.00 0.12 C HETATM 2274 C PRO A 100 5.688 -8.522 -6.342 1.00 0.20 C HETATM 2275 O PRO A 100 6.068 -9.339 -5.532 1.00 -0.39 O HETATM 2276 N PRO A 100 4.430 -8.442 -6.734 1.00 -0.26 N HETATM 2277 CA PRO A 100 3.410 -9.359 -6.180 1.00 0.13 C HETATM 2278 C PRO A 100 3.662 -10.801 -6.608 1.00 0.21 C HETATM 2279 O PRO A 100 3.709 -11.082 -7.800 1.00 -0.39 O HETATM 2280 N PRO A 100 3.846 -11.716 -5.634 1.00 -0.25 N HETATM 2281 CA PRO A 100 3.957 -13.120 -6.044 1.00 0.13 C HETATM 2282 C PRO A 100 2.652 -13.582 -6.708 1.00 0.21 C HETATM 2283 O PRO A 100 1.563 -13.148 -6.300 1.00 -0.39 O HETATM 2284 N PRO A 100 2.755 -14.447 -7.736 1.00 -0.25 N HETATM 2285 CA PRO A 100 1.566 -14.827 -8.446 1.00 0.13 C HETATM 2286 C PRO A 100 0.637 -15.701 -7.630 1.00 0.20 C HETATM 2287 O PRO A 100 1.115 -16.453 -6.780 1.00 -0.39 O HETATM 2288 N PRO A 100 -0.678 -15.563 -7.852 1.00 -0.26 N HETATM 2289 CA PRO A 100 -1.669 -16.361 -7.145 1.00 0.13 C HETATM 2290 C PRO A 100 -1.661 -17.825 -7.531 1.00 0.20 C HETATM 2291 O PRO A 100 -2.083 -18.679 -6.745 1.00 -0.39 O HETATM 2292 N PRO A 100 -1.279 -18.141 -8.754 1.00 -0.27 N HETATM 2293 CA PRO A 100 -0.860 -19.508 -9.052 1.00 0.08 C HETATM 2294 C PRO A 100 0.658 -19.678 -8.917 1.00 0.06 C HETATM 2295 O PRO A 100 1.434 -19.478 -9.880 1.00 -0.57 O HETATM 2296 H PRO A 100 1.074 -19.981 -7.956 1.00 -0.57 O HETATM 2297 H PRO A 100 -1.141 -19.737 -10.080 1.00 0.07 H HETATM 2298 H PRO A 100 -1.345 -20.178 -8.342 1.00 0.07 H HETATM 2299 H PRO A 100 -1.276 -17.433 -9.488 1.00 0.19 H HETATM 2300 CB PRO A 100 -3.093 -15.853 -7.324 1.00 -0.01 C HETATM 2301 CG PRO A 100 -3.790 -14.824 -6.455 1.00 -0.04 C HETATM 2302 CD1 PRO A 100 -3.174 -14.700 -5.050 1.00 -0.06 C HETATM 2303 H PRO A 100 -3.239 -15.661 -4.540 1.00 0.02 H HETATM 2304 H PRO A 100 -2.129 -14.404 -5.138 1.00 0.02 H HETATM 2305 H PRO A 100 -3.720 -13.947 -4.481 1.00 0.02 H HETATM 2306 CD2 PRO A 100 -3.829 -13.494 -7.209 1.00 -0.06 C HETATM 2307 H PRO A 100 -2.811 -13.170 -7.425 1.00 0.02 H HETATM 2308 H PRO A 100 -4.376 -13.623 -8.143 1.00 0.02 H HETATM 2309 H PRO A 100 -4.328 -12.744 -6.595 1.00 0.02 H HETATM 2310 H PRO A 100 -4.811 -15.156 -6.268 1.00 0.03 H HETATM 2311 H PRO A 100 -3.678 -16.750 -7.122 1.00 0.03 H HETATM 2312 H PRO A 100 -3.026 -15.332 -8.279 1.00 0.03 H HETATM 2313 H PRO A 100 -1.366 -16.258 -6.103 1.00 0.08 H HETATM 2314 H PRO A 100 -0.994 -14.877 -8.538 1.00 0.19 H HETATM 2315 CB PRO A 100 2.104 -15.591 -9.650 1.00 -0.01 C HETATM 2316 CG PRO A 100 3.540 -15.807 -9.433 1.00 -0.03 C HETATM 2317 CD PRO A 100 3.852 -15.368 -8.031 1.00 0.04 C HETATM 2318 H PRO A 100 3.913 -16.198 -7.327 1.00 0.05 H HETATM 2319 H PRO A 100 4.835 -14.906 -7.937 1.00 0.05 H HETATM 2320 H PRO A 100 4.126 -15.235 -10.152 1.00 0.03 H HETATM 2321 H PRO A 100 3.794 -16.858 -9.570 1.00 0.03 H HETATM 2322 H PRO A 100 1.939 -15.023 -10.566 1.00 0.03 H HETATM 2323 H PRO A 100 1.588 -16.545 -9.757 1.00 0.03 H HETATM 2324 H PRO A 100 0.961 -13.959 -8.706 1.00 0.08 H HETATM 2325 CB PRO A 100 4.213 -13.880 -4.740 1.00 -0.01 C HETATM 2326 CG PRO A 100 4.013 -12.908 -3.635 1.00 -0.03 C HETATM 2327 CD PRO A 100 4.127 -11.520 -4.197 1.00 0.04 C HETATM 2328 H PRO A 100 3.440 -10.817 -3.725 1.00 0.05 H HETATM 2329 H PRO A 100 5.104 -11.071 -4.016 1.00 0.05 H HETATM 2330 H PRO A 100 4.767 -13.061 -2.863 1.00 0.03 H HETATM 2331 H PRO A 100 3.029 -13.049 -3.188 1.00 0.03 H HETATM 2332 H PRO A 100 5.223 -14.289 -4.720 1.00 0.03 H HETATM 2333 H PRO A 100 3.532 -14.725 -4.642 1.00 0.03 H HETATM 2334 H PRO A 100 4.749 -13.287 -6.774 1.00 0.08 H HETATM 2335 CB PRO A 100 2.020 -8.932 -6.657 1.00 0.00 C HETATM 2336 CG PRO A 100 0.878 -9.601 -5.903 1.00 0.04 C HETATM 2337 CD PRO A 100 -0.477 -9.036 -6.266 1.00 0.17 C HETATM 2338 OE1 PRO A 100 -0.876 -8.008 -5.733 1.00 -0.40 O HETATM 2339 NE2 PRO A 100 -1.204 -9.720 -7.162 1.00 -0.30 N HETATM 2340 H PRO A 100 -2.132 -9.388 -7.426 1.00 0.18 H HETATM 2341 H PRO A 100 -0.829 -10.572 -7.580 1.00 0.18 H HETATM 2342 H PRO A 100 1.036 -9.429 -4.838 1.00 0.05 H HETATM 2343 H PRO A 100 0.879 -10.659 -6.167 1.00 0.05 H HETATM 2344 H PRO A 100 1.932 -9.223 -7.704 1.00 0.03 H HETATM 2345 H PRO A 100 1.935 -7.858 -6.489 1.00 0.03 H HETATM 2346 H PRO A 100 3.470 -9.307 -5.093 1.00 0.08 H HETATM 2347 H PRO A 100 4.159 -7.742 -7.425 1.00 0.19 H HETATM 2348 H PRO A 100 6.855 -6.772 -6.185 1.00 0.08 H HETATM 2349 H PRO A 100 7.547 -8.104 -7.245 1.00 0.08 H HETATM 2350 H PRO A 100 6.415 -7.210 -9.050 1.00 0.19 H HETATM 2351 CB PRO A 100 5.812 -3.728 -9.617 1.00 0.02 C HETATM 2352 CG PRO A 100 5.425 -3.021 -10.901 1.00 -0.04 C HETATM 2353 CD1 PRO A 100 5.982 -3.398 -12.099 1.00 -0.06 C HETATM 2354 CE1 PRO A 100 5.690 -2.714 -13.257 1.00 -0.07 C HETATM 2355 CZ PRO A 100 4.781 -1.644 -13.240 1.00 -0.07 C HETATM 2356 CE2 PRO A 100 4.181 -1.287 -12.054 1.00 -0.07 C HETATM 2357 CD2 PRO A 100 4.524 -1.975 -10.886 1.00 -0.06 C HETATM 2358 H PRO A 100 4.069 -1.678 -9.941 1.00 0.06 H HETATM 2359 H PRO A 100 3.449 -0.480 -12.026 1.00 0.06 H HETATM 2360 H PRO A 100 4.553 -1.101 -14.157 1.00 0.06 H HETATM 2361 H PRO A 100 6.167 -3.005 -14.193 1.00 0.06 H HETATM 2362 H PRO A 100 6.663 -4.248 -12.133 1.00 0.06 H HETATM 2363 H PRO A 100 6.864 -4.001 -9.708 1.00 0.05 H HETATM 2364 H PRO A 100 5.591 -3.044 -8.797 1.00 0.05 H HETATM 2365 H PRO A 100 5.254 -5.703 -10.169 1.00 0.08 H HETATM 2366 H PRO A 100 3.261 -3.795 -9.444 1.00 0.19 H HETATM 2367 CB PRO A 100 1.129 -4.970 -7.183 1.00 -0.01 C HETATM 2368 CG PRO A 100 -0.368 -5.172 -6.987 1.00 -0.03 C HETATM 2369 CD PRO A 100 -0.825 -6.122 -8.066 1.00 0.04 C HETATM 2370 H PRO A 100 -1.069 -7.108 -7.670 1.00 0.05 H HETATM 2371 H PRO A 100 -1.748 -5.791 -8.543 1.00 0.05 H HETATM 2372 H PRO A 100 -0.899 -4.223 -7.056 1.00 0.03 H HETATM 2373 H PRO A 100 -0.578 -5.579 -5.998 1.00 0.03 H HETATM 2374 H PRO A 100 1.466 -3.988 -6.853 1.00 0.03 H HETATM 2375 H PRO A 100 1.727 -5.656 -6.583 1.00 0.03 H HETATM 2376 H PRO A 100 1.216 -4.277 -9.282 1.00 0.08 H HETATM 2377 CB PRO A 100 -0.103 -8.991 -11.145 1.00 0.00 C HETATM 2378 CG PRO A 100 1.028 -9.569 -10.296 1.00 0.04 C HETATM 2379 CD PRO A 100 1.666 -10.807 -10.930 1.00 0.17 C HETATM 2380 OE1 PRO A 100 1.310 -11.205 -12.056 1.00 -0.40 O HETATM 2381 NE2 PRO A 100 2.609 -11.423 -10.219 1.00 -0.30 N HETATM 2382 H PRO A 100 3.069 -12.253 -10.593 1.00 0.18 H HETATM 2383 H PRO A 100 2.871 -11.065 -9.301 1.00 0.18 H HETATM 2384 H PRO A 100 0.609 -9.863 -9.334 1.00 0.05 H HETATM 2385 H PRO A 100 1.800 -8.805 -10.201 1.00 0.05 H HETATM 2386 H PRO A 100 0.341 -8.730 -12.106 1.00 0.03 H HETATM 2387 H PRO A 100 -0.886 -9.749 -11.165 1.00 0.03 H HETATM 2388 H PRO A 100 -1.369 -8.043 -9.777 1.00 0.08 H HETATM 2389 H PRO A 100 -0.937 -6.624 -12.448 1.00 0.19 H HETATM 2390 H PRO A 100 -4.380 -5.801 -12.683 1.00 0.08 H HETATM 2391 H PRO A 100 -3.003 -4.811 -12.133 1.00 0.08 H HETATM 2392 H PRO A 100 -2.056 -5.117 -14.245 1.00 0.19 H HETATM 2393 CB PRO A 100 -2.989 -6.980 -17.258 1.00 -0.01 C HETATM 2394 CG PRO A 100 -2.369 -7.989 -18.153 1.00 -0.03 C HETATM 2395 CD PRO A 100 -1.896 -9.090 -17.266 1.00 0.04 C HETATM 2396 H PRO A 100 -2.647 -9.865 -17.114 1.00 0.05 H HETATM 2397 H PRO A 100 -1.059 -9.646 -17.688 1.00 0.05 H HETATM 2398 H PRO A 100 -1.545 -7.559 -18.722 1.00 0.03 H HETATM 2399 H PRO A 100 -3.084 -8.355 -18.890 1.00 0.03 H HETATM 2400 H PRO A 100 -2.999 -5.986 -17.705 1.00 0.03 H HETATM 2401 H PRO A 100 -4.039 -7.197 -17.060 1.00 0.03 H HETATM 2402 H PRO A 100 -1.397 -6.230 -15.938 1.00 0.08 H HETATM 2403 CB PRO A 100 -1.089 -11.117 -14.398 1.00 0.02 C HETATM 2404 CG PRO A 100 -0.757 -12.569 -14.669 1.00 -0.04 C HETATM 2405 CD1 PRO A 100 -0.967 -13.116 -15.938 1.00 -0.06 C HETATM 2406 CE1 PRO A 100 -0.652 -14.441 -16.203 1.00 -0.07 C HETATM 2407 CZ PRO A 100 -0.112 -15.245 -15.195 1.00 -0.07 C HETATM 2408 CE2 PRO A 100 0.103 -14.713 -13.934 1.00 -0.07 C HETATM 2409 CD2 PRO A 100 -0.224 -13.381 -13.677 1.00 -0.06 C HETATM 2410 H PRO A 100 -0.058 -12.971 -12.681 1.00 0.06 H HETATM 2411 H PRO A 100 0.527 -15.334 -13.144 1.00 0.06 H HETATM 2412 H PRO A 100 0.139 -16.286 -15.400 1.00 0.06 H HETATM 2413 H PRO A 100 -0.826 -14.855 -17.196 1.00 0.06 H HETATM 2414 H PRO A 100 -1.384 -12.493 -16.730 1.00 0.06 H HETATM 2415 H PRO A 100 -2.084 -10.926 -14.801 1.00 0.05 H HETATM 2416 H PRO A 100 -1.022 -10.959 -13.322 1.00 0.05 H HETATM 2417 H PRO A 100 0.001 -10.418 -16.121 1.00 0.08 H HETATM 2418 H PRO A 100 1.265 -10.537 -13.486 1.00 0.19 H HETATM 2419 CB PRO A 100 4.181 -8.443 -14.158 1.00 -0.01 C HETATM 2420 CG PRO A 100 5.242 -8.257 -13.061 1.00 -0.04 C HETATM 2421 CD1 PRO A 100 5.840 -6.868 -13.227 1.00 -0.06 C HETATM 2422 H PRO A 100 6.296 -6.785 -14.214 1.00 0.02 H HETATM 2423 H PRO A 100 5.053 -6.120 -13.125 1.00 0.02 H HETATM 2424 H PRO A 100 6.598 -6.706 -12.461 1.00 0.02 H HETATM 2425 CD2 PRO A 100 4.691 -8.424 -11.632 1.00 -0.06 C HETATM 2426 H PRO A 100 3.909 -7.685 -11.457 1.00 0.02 H HETATM 2427 H PRO A 100 4.278 -9.426 -11.518 1.00 0.02 H HETATM 2428 H PRO A 100 5.498 -8.278 -10.914 1.00 0.02 H HETATM 2429 H PRO A 100 5.991 -9.039 -13.181 1.00 0.03 H HETATM 2430 H PRO A 100 3.365 -7.754 -13.940 1.00 0.03 H HETATM 2431 H PRO A 100 4.670 -8.261 -15.115 1.00 0.03 H HETATM 2432 H PRO A 100 3.292 -10.181 -13.214 1.00 0.08 H HETATM 2433 H PRO A 100 4.921 -10.757 -15.620 1.00 0.19 H HETATM 2434 CB PRO A 100 7.538 -11.936 -14.455 1.00 -0.01 C HETATM 2435 CG1 PRO A 100 7.802 -11.492 -13.040 1.00 -0.06 C HETATM 2436 H PRO A 100 7.010 -10.815 -12.719 1.00 0.02 H HETATM 2437 H PRO A 100 7.825 -12.363 -12.385 1.00 0.02 H HETATM 2438 H PRO A 100 8.762 -10.977 -12.995 1.00 0.02 H HETATM 2439 CG2 PRO A 100 8.682 -12.827 -14.849 1.00 -0.06 C HETATM 2440 H PRO A 100 8.720 -13.685 -14.178 1.00 0.02 H HETATM 2441 H PRO A 100 8.537 -13.171 -15.873 1.00 0.02 H HETATM 2442 H PRO A 100 9.616 -12.269 -14.780 1.00 0.02 H HETATM 2443 H PRO A 100 7.476 -11.092 -15.142 1.00 0.03 H HETATM 2444 H PRO A 100 6.266 -13.623 -13.991 1.00 0.08 H HETATM 2445 H PRO A 100 6.204 -12.522 -16.684 1.00 0.19 H HETATM 2446 CB PRO A 100 3.638 -12.841 -18.094 1.00 0.01 C HETATM 2447 CG PRO A 100 2.209 -13.236 -17.947 1.00 -0.01 C HETATM 2448 CD PRO A 100 2.164 -14.694 -18.354 1.00 -0.03 C HETATM 2449 H PRO A 100 1.326 -15.235 -17.914 1.00 0.08 H HETATM 2450 H PRO A 100 2.000 -14.835 -19.422 1.00 0.08 H HETATM 2451 H PRO A 100 1.554 -12.623 -18.566 1.00 0.03 H HETATM 2452 H PRO A 100 1.851 -13.089 -16.928 1.00 0.03 H HETATM 2453 H PRO A 100 3.882 -12.551 -19.116 1.00 0.03 H HETATM 2454 H PRO A 100 3.885 -11.960 -17.502 1.00 0.03 H HETATM 2455 H PRO A 100 5.360 -14.269 -18.158 1.00 0.11 H HETATM 2456 H PRO A 100 3.346 -15.713 -17.030 1.00 0.20 H HETATM 2457 H PRO A 100 3.872 -15.786 -18.630 1.00 0.20 H CONECT 1323 1324 1346 1347 1348 CONECT 1346 1323 CONECT 1347 1323 CONECT 1348 1323 CONECT 2236 2237 2448 2456 2457 CONECT 2237 2236 2238 2446 2455 CONECT 2238 2237 2239 2240 CONECT 2239 2238 CONECT 2240 2238 2241 2445 CONECT 2241 2240 2242 2434 2444 CONECT 2242 2241 2243 2244 CONECT 2243 2242 CONECT 2244 2242 2245 2433 CONECT 2245 2244 2246 2419 2432 CONECT 2246 2245 2247 2248 CONECT 2247 2246 CONECT 2248 2246 2249 2418 CONECT 2249 2248 2250 2403 2417 CONECT 2250 2249 2251 2252 CONECT 2251 2250 CONECT 2252 2250 2253 2395 CONECT 2253 2252 2254 2393 2402 CONECT 2254 2253 2255 2256 CONECT 2255 2254 CONECT 2256 2254 2257 2392 CONECT 2257 2256 2258 2390 2391 CONECT 2258 2257 2259 2260 CONECT 2259 2258 CONECT 2260 2258 2261 2389 CONECT 2261 2260 2262 2377 2388 CONECT 2262 2261 2263 2264 CONECT 2263 2262 CONECT 2264 2262 2265 2369 CONECT 2265 2264 2266 2367 2376 CONECT 2266 2265 2267 2268 CONECT 2267 2266 CONECT 2268 2266 2269 2366 CONECT 2269 2268 2270 2351 2365 CONECT 2270 2269 2271 2272 CONECT 2271 2270 CONECT 2272 2270 2273 2350 CONECT 2273 2272 2274 2348 2349 CONECT 2274 2273 2275 2276 CONECT 2275 2274 CONECT 2276 2274 2277 2347 CONECT 2277 2276 2278 2335 2346 CONECT 2278 2277 2279 2280 CONECT 2279 2278 CONECT 2280 2278 2281 2327 CONECT 2281 2280 2282 2325 2334 CONECT 2282 2281 2283 2284 CONECT 2283 2282 CONECT 2284 2282 2285 2317 CONECT 2285 2284 2286 2315 2324 CONECT 2286 2285 2287 2288 CONECT 2287 2286 CONECT 2288 2286 2289 2314 CONECT 2289 2288 2290 2300 2313 CONECT 2290 2289 2291 2292 CONECT 2291 2290 CONECT 2292 2290 2293 2299 CONECT 2293 2292 2294 2297 2298 CONECT 2294 2293 2295 2296 CONECT 2295 2294 CONECT 2296 2294 CONECT 2297 2293 CONECT 2298 2293 CONECT 2299 2292 CONECT 2300 2289 2301 2311 2312 CONECT 2301 2300 2302 2306 2310 CONECT 2302 2301 2303 2304 2305 CONECT 2303 2302 CONECT 2304 2302 CONECT 2305 2302 CONECT 2306 2301 2307 2308 2309 CONECT 2307 2306 CONECT 2308 2306 CONECT 2309 2306 CONECT 2310 2301 CONECT 2311 2300 CONECT 2312 2300 CONECT 2313 2289 CONECT 2314 2288 CONECT 2315 2285 2316 2322 2323 CONECT 2316 2315 2317 2320 2321 CONECT 2317 2284 2316 2318 2319 CONECT 2318 2317 CONECT 2319 2317 CONECT 2320 2316 CONECT 2321 2316 CONECT 2322 2315 CONECT 2323 2315 CONECT 2324 2285 CONECT 2325 2281 2326 2332 2333 CONECT 2326 2325 2327 2330 2331 CONECT 2327 2280 2326 2328 2329 CONECT 2328 2327 CONECT 2329 2327 CONECT 2330 2326 CONECT 2331 2326 CONECT 2332 2325 CONECT 2333 2325 CONECT 2334 2281 CONECT 2335 2277 2336 2344 2345 CONECT 2336 2335 2337 2342 2343 CONECT 2337 2336 2338 2339 CONECT 2338 2337 CONECT 2339 2337 2340 2341 CONECT 2340 2339 CONECT 2341 2339 CONECT 2342 2336 CONECT 2343 2336 CONECT 2344 2335 CONECT 2345 2335 CONECT 2346 2277 CONECT 2347 2276 CONECT 2348 2273 CONECT 2349 2273 CONECT 2350 2272 CONECT 2351 2269 2352 2363 2364 CONECT 2352 2351 2353 2357 CONECT 2353 2352 2354 2362 CONECT 2354 2353 2355 2361 CONECT 2355 2354 2356 2360 CONECT 2356 2355 2357 2359 CONECT 2357 2352 2356 2358 CONECT 2358 2357 CONECT 2359 2356 CONECT 2360 2355 CONECT 2361 2354 CONECT 2362 2353 CONECT 2363 2351 CONECT 2364 2351 CONECT 2365 2269 CONECT 2366 2268 CONECT 2367 2265 2368 2374 2375 CONECT 2368 2367 2369 2372 2373 CONECT 2369 2264 2368 2370 2371 CONECT 2370 2369 CONECT 2371 2369 CONECT 2372 2368 CONECT 2373 2368 CONECT 2374 2367 CONECT 2375 2367 CONECT 2376 2265 CONECT 2377 2261 2378 2386 2387 CONECT 2378 2377 2379 2384 2385 CONECT 2379 2378 2380 2381 CONECT 2380 2379 CONECT 2381 2379 2382 2383 CONECT 2382 2381 CONECT 2383 2381 CONECT 2384 2378 CONECT 2385 2378 CONECT 2386 2377 CONECT 2387 2377 CONECT 2388 2261 CONECT 2389 2260 CONECT 2390 2257 CONECT 2391 2257 CONECT 2392 2256 CONECT 2393 2253 2394 2400 2401 CONECT 2394 2393 2395 2398 2399 CONECT 2395 2252 2394 2396 2397 CONECT 2396 2395 CONECT 2397 2395 CONECT 2398 2394 CONECT 2399 2394 CONECT 2400 2393 CONECT 2401 2393 CONECT 2402 2253 CONECT 2403 2249 2404 2415 2416 CONECT 2404 2403 2405 2409 CONECT 2405 2404 2406 2414 CONECT 2406 2405 2407 2413 CONECT 2407 2406 2408 2412 CONECT 2408 2407 2409 2411 CONECT 2409 2404 2408 2410 CONECT 2410 2409 CONECT 2411 2408 CONECT 2412 2407 CONECT 2413 2406 CONECT 2414 2405 CONECT 2415 2403 CONECT 2416 2403 CONECT 2417 2249 CONECT 2418 2248 CONECT 2419 2245 2420 2430 2431 CONECT 2420 2419 2421 2425 2429 CONECT 2421 2420 2422 2423 2424 CONECT 2422 2421 CONECT 2423 2421 CONECT 2424 2421 CONECT 2425 2420 2426 2427 2428 CONECT 2426 2425 CONECT 2427 2425 CONECT 2428 2425 CONECT 2429 2420 CONECT 2430 2419 CONECT 2431 2419 CONECT 2432 2245 CONECT 2433 2244 CONECT 2434 2241 2435 2439 2443 CONECT 2435 2434 2436 2437 2438 CONECT 2436 2435 CONECT 2437 2435 CONECT 2438 2435 CONECT 2439 2434 2440 2441 2442 CONECT 2440 2439 CONECT 2441 2439 CONECT 2442 2439 CONECT 2443 2434 CONECT 2444 2241 CONECT 2445 2240 CONECT 2446 2237 2447 2453 2454 CONECT 2447 2446 2448 2451 2452 CONECT 2448 2236 2447 2449 2450 CONECT 2449 2448 CONECT 2450 2448 CONECT 2451 2447 CONECT 2452 2447 CONECT 2453 2446 CONECT 2454 2446 CONECT 2455 2237 CONECT 2456 2236 CONECT 2457 2236 MASTER 0 0 0 0 0 0 0 0 2455 2 226 11 END
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Protein Sequence Similarity
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PDBbind
15aa, >4U0A_2|Chain... at 100%
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17aa, >4WYM_2|Chains... *
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Ligand Name
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15-mer
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PDBbind
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PDBbind
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4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
4b4n
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
GAG PROTEIN
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
1.81(Å)
Affinity (Kd/Ki/IC50)
Kd=362uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Plos Pathog. Vol. 8: pp. 2896
Ligand Properties
Formula
C
7
6
H
1
1
2
N
1
7
O
1
8
Molecular Weight
1551.810
Exact Mass
1550.840
No. of atoms
223
No. of bonds
229
Polar Surface Area
512.33
LOGP Value
-0.55 (
Computed with XLOGP3
)
2.90 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 53
No. of Nitrogen and Oxygen Atoms: 35
No. of Rings: 7
Canonical SMILES
CC(C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)CC(C)C)CCC(=O)N)Cc1ccccc1)CCC(=O)N)Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCC[NH2+]1)C
InChI String
InChI=1S/C76H111N17O18/c1-43(2)36-51(65(100)82-42-63(98)99)85-71(106)57-25-16-34-92(57)76(111)58-26-17-35-93(58)74(109)50(28-30-60(78)95)84-61(96)40-80-66(101)53(38-46-18-9-7-10-19-46)86-70(105)56-24-15-33-91(56)73(108)49(27-29-59(77)94)83-62(97)41-81-69(104)55-23-14-32-90(55)75(110)54(39-47-20-11-8-12-21-47)88-68(103)52(37-44(3)4)87-72(107)64(45(5)6)89-67(102)48-22-13-31-79-48/h7-12,18-21,43-45,48-58,64,79H,13-17,22-42H2,1-6H3,(H2,77,94)(H2,78,95)(H,80,101)(H,81,104)(H,82,100)(H,83,97)(H,84,96)(H,85,106)(H,86,105)(H,87,107)(H,88,103)(H,89,102)(H,98,99)/p+1/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/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):
A9PKC6
Q16630
Entrez Gene ID
NCBI Entrez Gene ID:
11052
ASD
Information of known allosteric effects of PDB entries
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