Browse entries in the PDBbind-CN Database
HEADER 1W4Q_COMPLEX COMPND 1W4Q_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HET UMF A 276 31 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N LYS A 1 37.995 20.521 9.231 1.00 31.96 N ATOM 2 CA LYS A 1 38.067 19.342 10.141 1.00 30.87 C ATOM 3 C LYS A 1 36.817 18.477 10.027 1.00 28.29 C ATOM 4 O LYS A 1 35.861 18.833 9.338 1.00 30.25 O ATOM 5 CB LYS A 1 38.237 19.805 11.591 1.00 31.58 C ATOM 6 CG LYS A 1 39.535 20.552 11.858 1.00 34.23 C ATOM 7 CD LYS A 1 40.751 19.676 11.588 1.00 34.77 C ATOM 8 CE LYS A 1 42.043 20.434 11.852 1.00 36.78 C ATOM 9 NZ LYS A 1 43.246 19.595 11.596 1.00 38.06 N ATOM 10 HA LYS A 1 38.928 18.744 9.843 1.00 0.00 H ATOM 11 HB2 LYS A 1 37.405 20.464 11.840 1.00 0.00 H ATOM 12 HB3 LYS A 1 38.208 18.927 12.236 1.00 0.00 H ATOM 13 HG2 LYS A 1 39.579 21.428 11.211 1.00 0.00 H ATOM 14 HG3 LYS A 1 39.552 20.870 12.900 1.00 0.00 H ATOM 15 HD2 LYS A 1 40.712 18.802 12.238 1.00 0.00 H ATOM 16 HD3 LYS A 1 40.734 19.354 10.547 1.00 0.00 H ATOM 17 HE2 LYS A 1 42.055 20.758 12.893 1.00 0.00 H ATOM 18 HE3 LYS A 1 42.078 21.307 11.201 1.00 0.00 H ATOM 19 HZ1 LYS A 1 43.225 18.762 12.218 1.00 0.00 H ATOM 20 HZ2 LYS A 1 43.247 19.287 10.603 1.00 0.00 H ATOM 21 HZ3 LYS A 1 44.103 20.152 11.789 1.00 0.00 H ATOM 22 HN3 LYS A 1 37.168 21.100 9.480 1.00 0.00 H ATOM 23 HN2 LYS A 1 37.907 20.194 8.248 1.00 0.00 H ATOM 24 HN1 LYS A 1 38.860 21.089 9.332 1.00 0.00 H ATOM 25 N GLU A 2 36.835 17.337 10.707 1.00 24.26 N ATOM 26 CA GLU A 2 35.709 16.412 10.692 1.00 19.83 C ATOM 27 C GLU A 2 35.496 15.870 12.098 1.00 18.02 C ATOM 28 O GLU A 2 36.448 15.453 12.758 1.00 18.63 O ATOM 29 CB GLU A 2 35.992 15.257 9.726 1.00 18.19 C ATOM 30 CG GLU A 2 34.920 14.177 9.697 1.00 15.25 C ATOM 31 CD GLU A 2 35.270 13.041 8.757 1.00 12.21 C ATOM 32 OE1 GLU A 2 36.419 12.555 8.817 1.00 13.08 O ATOM 33 OE2 GLU A 2 34.399 12.628 7.965 1.00 14.46 O ATOM 34 HA GLU A 2 34.812 16.934 10.359 1.00 0.00 H ATOM 35 HB2 GLU A 2 36.087 15.669 8.721 1.00 0.00 H ATOM 36 HB3 GLU A 2 36.934 14.793 10.017 1.00 0.00 H ATOM 37 HG2 GLU A 2 34.800 13.775 10.703 1.00 0.00 H ATOM 38 HG3 GLU A 2 33.981 14.624 9.372 1.00 0.00 H ATOM 39 H GLU A 2 37.678 17.097 11.267 1.00 0.00 H ATOM 40 N THR A 3 34.252 15.889 12.565 1.00 15.77 N ATOM 41 CA THR A 3 33.959 15.380 13.899 1.00 15.28 C ATOM 42 C THR A 3 33.965 13.864 13.855 1.00 15.05 C ATOM 43 O THR A 3 33.781 13.262 12.793 1.00 13.32 O ATOM 44 CB THR A 3 32.580 15.831 14.407 1.00 16.87 C ATOM 45 OG1 THR A 3 31.556 15.214 13.619 1.00 15.80 O ATOM 46 CG2 THR A 3 32.448 17.344 14.323 1.00 16.99 C ATOM 47 HA THR A 3 34.720 15.772 14.574 1.00 0.00 H ATOM 48 HB THR A 3 32.474 15.530 15.449 1.00 0.00 H ATOM 49 HG1 THR A 3 30.668 15.505 13.947 1.00 0.00 H ATOM 50 HG23 THR A 3 33.229 17.810 14.924 1.00 0.00 H ATOM 51 HG21 THR A 3 32.550 17.659 13.285 1.00 0.00 H ATOM 52 HG22 THR A 3 31.470 17.644 14.700 1.00 0.00 H ATOM 53 H THR A 3 33.484 16.269 11.976 1.00 0.00 H ATOM 54 N ALA A 4 34.176 13.255 15.015 1.00 14.26 N ATOM 55 CA ALA A 4 34.210 11.805 15.128 1.00 13.79 C ATOM 56 C ALA A 4 32.869 11.218 14.702 1.00 12.99 C ATOM 57 O ALA A 4 32.817 10.152 14.086 1.00 13.50 O ATOM 58 CB ALA A 4 34.528 11.404 16.564 1.00 14.02 C ATOM 59 HA ALA A 4 34.988 11.414 14.472 1.00 0.00 H ATOM 60 HB1 ALA A 4 35.499 11.810 16.847 1.00 0.00 H ATOM 61 HB2 ALA A 4 33.760 11.799 17.229 1.00 0.00 H ATOM 62 HB3 ALA A 4 34.551 10.317 16.640 1.00 0.00 H ATOM 63 H ALA A 4 34.321 13.831 15.868 1.00 0.00 H ATOM 64 N ALA A 5 31.788 11.919 15.035 1.00 12.59 N ATOM 65 CA ALA A 5 30.444 11.470 14.689 1.00 11.22 C ATOM 66 C ALA A 5 30.271 11.469 13.179 1.00 11.57 C ATOM 67 O ALA A 5 29.711 10.533 12.614 1.00 9.50 O ATOM 68 CB ALA A 5 29.399 12.377 15.338 1.00 12.50 C ATOM 69 HA ALA A 5 30.305 10.456 15.063 1.00 0.00 H ATOM 70 HB1 ALA A 5 29.517 12.348 16.421 1.00 0.00 H ATOM 71 HB2 ALA A 5 29.536 13.399 14.984 1.00 0.00 H ATOM 72 HB3 ALA A 5 28.401 12.029 15.070 1.00 0.00 H ATOM 73 H ALA A 5 31.905 12.811 15.556 1.00 0.00 H ATOM 74 N ALA A 6 30.753 12.525 12.529 1.00 11.07 N ATOM 75 CA ALA A 6 30.656 12.630 11.077 1.00 10.89 C ATOM 76 C ALA A 6 31.531 11.576 10.409 1.00 10.16 C ATOM 77 O ALA A 6 31.176 11.038 9.361 1.00 10.05 O ATOM 78 CB ALA A 6 31.077 14.022 10.621 1.00 10.84 C ATOM 79 HA ALA A 6 29.619 12.461 10.786 1.00 0.00 H ATOM 80 HB1 ALA A 6 30.424 14.766 11.078 1.00 0.00 H ATOM 81 HB2 ALA A 6 32.107 14.206 10.925 1.00 0.00 H ATOM 82 HB3 ALA A 6 31.000 14.086 9.536 1.00 0.00 H ATOM 83 H ALA A 6 31.208 13.291 13.066 1.00 0.00 H ATOM 84 N LYS A 7 32.681 11.290 11.011 1.00 10.24 N ATOM 85 CA LYS A 7 33.587 10.290 10.463 1.00 9.94 C ATOM 86 C LYS A 7 32.951 8.903 10.557 1.00 10.37 C ATOM 87 O LYS A 7 33.128 8.070 9.670 1.00 10.35 O ATOM 88 CB LYS A 7 34.925 10.311 11.210 1.00 10.88 C ATOM 89 CG LYS A 7 35.936 9.302 10.686 1.00 12.63 C ATOM 90 CD LYS A 7 37.293 9.490 11.338 1.00 15.25 C ATOM 91 CE LYS A 7 38.285 8.453 10.845 1.00 18.42 C ATOM 92 NZ LYS A 7 39.608 8.580 11.516 1.00 20.68 N ATOM 93 HA LYS A 7 33.774 10.524 9.415 1.00 0.00 H ATOM 94 HB2 LYS A 7 35.355 11.308 11.118 1.00 0.00 H ATOM 95 HB3 LYS A 7 34.736 10.094 12.261 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.576 8.295 10.899 1.00 0.00 H ATOM 97 HG3 LYS A 7 36.039 9.429 9.608 1.00 0.00 H ATOM 98 HD2 LYS A 7 37.669 10.485 11.098 1.00 0.00 H ATOM 99 HD3 LYS A 7 37.185 9.395 12.418 1.00 0.00 H ATOM 100 HE2 LYS A 7 38.422 8.580 9.771 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.883 7.459 11.044 1.00 0.00 H ATOM 102 HZ1 LYS A 7 40.003 9.523 11.326 1.00 0.00 H ATOM 103 HZ2 LYS A 7 39.489 8.453 12.541 1.00 0.00 H ATOM 104 HZ3 LYS A 7 40.253 7.852 11.148 1.00 0.00 H ATOM 105 H LYS A 7 32.938 11.788 11.887 1.00 0.00 H ATOM 106 N PHE A 8 32.208 8.652 11.633 1.00 8.32 N ATOM 107 CA PHE A 8 31.552 7.355 11.791 1.00 7.10 C ATOM 108 C PHE A 8 30.540 7.156 10.666 1.00 7.22 C ATOM 109 O PHE A 8 30.447 6.073 10.082 1.00 6.27 O ATOM 110 CB PHE A 8 30.842 7.270 13.150 1.00 7.26 C ATOM 111 CG PHE A 8 30.021 6.025 13.329 1.00 7.17 C ATOM 112 CD1 PHE A 8 28.714 5.958 12.848 1.00 6.15 C ATOM 113 CD2 PHE A 8 30.570 4.899 13.938 1.00 7.08 C ATOM 114 CE1 PHE A 8 27.965 4.787 12.966 1.00 6.63 C ATOM 115 CE2 PHE A 8 29.828 3.719 14.061 1.00 8.30 C ATOM 116 CZ PHE A 8 28.526 3.665 13.574 1.00 7.13 C ATOM 117 HA PHE A 8 32.308 6.571 11.747 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.598 7.299 13.935 1.00 0.00 H ATOM 119 HB3 PHE A 8 30.184 8.133 13.249 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.589 4.937 14.323 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.269 2.844 14.538 1.00 0.00 H ATOM 122 HZ PHE A 8 27.946 2.747 13.668 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.945 4.750 12.584 1.00 0.00 H ATOM 124 HD1 PHE A 8 28.271 6.833 12.373 1.00 0.00 H ATOM 125 H PHE A 8 32.094 9.382 12.365 1.00 0.00 H ATOM 126 N GLU A 9 29.781 8.203 10.363 1.00 7.48 N ATOM 127 CA GLU A 9 28.790 8.121 9.298 1.00 7.40 C ATOM 128 C GLU A 9 29.450 7.886 7.943 1.00 7.53 C ATOM 129 O GLU A 9 28.962 7.092 7.140 1.00 7.90 O ATOM 130 CB GLU A 9 27.942 9.399 9.251 1.00 9.20 C ATOM 131 CG GLU A 9 26.982 9.538 10.427 1.00 10.39 C ATOM 132 CD GLU A 9 25.959 10.637 10.220 1.00 11.79 C ATOM 133 OE1 GLU A 9 25.393 10.715 9.110 1.00 10.57 O ATOM 134 OE2 GLU A 9 25.713 11.413 11.167 1.00 10.68 O ATOM 135 HA GLU A 9 28.143 7.271 9.515 1.00 0.00 H ATOM 136 HB2 GLU A 9 28.613 10.258 9.250 1.00 0.00 H ATOM 137 HB3 GLU A 9 27.360 9.393 8.329 1.00 0.00 H ATOM 138 HG2 GLU A 9 26.456 8.593 10.562 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.559 9.763 11.324 1.00 0.00 H ATOM 140 H GLU A 9 29.895 9.091 10.892 1.00 0.00 H ATOM 141 N ARG A 10 30.562 8.571 7.694 1.00 7.01 N ATOM 142 CA ARG A 10 31.275 8.425 6.427 1.00 7.90 C ATOM 143 C ARG A 10 31.862 7.031 6.269 1.00 8.28 C ATOM 144 O ARG A 10 31.815 6.439 5.189 1.00 10.00 O ATOM 145 CB ARG A 10 32.396 9.471 6.318 1.00 9.39 C ATOM 146 CG ARG A 10 33.340 9.253 5.130 1.00 10.10 C ATOM 147 CD ARG A 10 34.286 10.434 4.927 1.00 11.18 C ATOM 148 NE ARG A 10 35.210 10.640 6.041 1.00 12.52 N ATOM 149 CZ ARG A 10 36.338 9.959 6.226 1.00 12.31 C ATOM 150 NH1 ARG A 10 36.699 9.012 5.369 1.00 14.50 N ATOM 151 NH2 ARG A 10 37.115 10.233 7.265 1.00 13.95 N ATOM 152 HA ARG A 10 30.551 8.582 5.628 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.938 10.455 6.216 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.985 9.439 7.234 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.931 8.355 5.310 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.745 9.119 4.227 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.689 11.337 4.802 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.869 10.258 4.023 1.00 0.00 H ATOM 159 HE ARG A 10 34.968 11.372 6.739 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.582 8.484 5.520 1.00 0.00 H ATOM 161 HH11 ARG A 10 36.099 8.798 4.547 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.997 9.701 7.410 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.843 10.980 7.935 1.00 0.00 H ATOM 164 H ARG A 10 30.931 9.223 8.415 1.00 0.00 H ATOM 165 N GLN A 11 32.416 6.502 7.353 1.00 8.56 N ATOM 166 CA GLN A 11 33.030 5.182 7.317 1.00 7.95 C ATOM 167 C GLN A 11 32.097 3.996 7.498 1.00 8.04 C ATOM 168 O GLN A 11 32.327 2.935 6.922 1.00 9.95 O ATOM 169 CB GLN A 11 34.101 5.068 8.402 1.00 7.50 C ATOM 170 CG GLN A 11 35.371 5.832 8.155 1.00 10.16 C ATOM 171 CD GLN A 11 36.396 5.568 9.236 1.00 11.96 C ATOM 172 OE1 GLN A 11 37.575 5.373 8.950 1.00 13.65 O ATOM 173 NE2 GLN A 11 35.949 5.562 10.491 1.00 10.44 N ATOM 174 HA GLN A 11 33.428 5.121 6.304 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.670 5.429 9.336 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.360 4.014 8.506 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.785 5.530 7.193 1.00 0.00 H ATOM 178 HG3 GLN A 11 35.145 6.898 8.134 1.00 0.00 H ATOM 179 HE22 GLN A 11 34.942 5.732 10.685 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.608 5.387 11.277 1.00 0.00 H ATOM 181 H GLN A 11 32.412 7.039 8.243 1.00 0.00 H ATOM 182 N HIS A 12 31.039 4.167 8.282 1.00 8.10 N ATOM 183 CA HIS A 12 30.192 2.996 8.586 1.00 6.35 C ATOM 184 C HIS A 12 28.716 3.032 8.227 1.00 7.26 C ATOM 185 O HIS A 12 28.005 2.064 8.456 1.00 7.33 O ATOM 186 CB HIS A 12 30.314 2.683 10.077 1.00 7.05 C ATOM 187 CG HIS A 12 31.768 2.525 10.504 1.00 7.35 C ATOM 188 ND1 HIS A 12 32.552 1.494 10.034 1.00 7.13 N ATOM 189 CD2 HIS A 12 32.558 3.252 11.329 1.00 6.89 C ATOM 190 CE1 HIS A 12 33.764 1.595 10.550 1.00 7.03 C ATOM 191 NE2 HIS A 12 33.795 2.654 11.338 1.00 6.70 N ATOM 192 HA HIS A 12 30.590 2.231 7.919 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.865 3.497 10.647 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.781 1.756 10.288 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.267 4.145 11.883 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.597 0.919 10.358 1.00 0.00 H ATOM 197 H HIS A 12 30.812 5.104 8.673 1.00 0.00 H ATOM 198 N MET A 13 28.211 4.125 7.666 1.00 7.49 N ATOM 199 CA MET A 13 26.798 4.178 7.307 1.00 8.87 C ATOM 200 C MET A 13 26.518 4.108 5.810 1.00 9.28 C ATOM 201 O MET A 13 27.110 4.840 5.026 1.00 9.23 O ATOM 202 CB MET A 13 26.154 5.460 7.842 1.00 8.65 C ATOM 203 CG MET A 13 26.018 5.547 9.355 1.00 8.14 C ATOM 204 SD MET A 13 24.921 4.297 10.052 1.00 9.70 S ATOM 205 CE MET A 13 23.408 4.581 9.108 1.00 9.60 C ATOM 206 HA MET A 13 26.368 3.286 7.763 1.00 0.00 H ATOM 207 HB2 MET A 13 26.760 6.303 7.511 1.00 0.00 H ATOM 208 HB3 MET A 13 25.156 5.539 7.410 1.00 0.00 H ATOM 209 HG2 MET A 13 25.626 6.531 9.610 1.00 0.00 H ATOM 210 HG3 MET A 13 27.006 5.425 9.798 1.00 0.00 H ATOM 211 HE1 MET A 13 23.062 5.601 9.276 1.00 0.00 H ATOM 212 HE2 MET A 13 23.610 4.435 8.047 1.00 0.00 H ATOM 213 HE3 MET A 13 22.641 3.878 9.433 1.00 0.00 H ATOM 214 H MET A 13 28.824 4.945 7.482 1.00 0.00 H ATOM 215 N ASP A 14 25.613 3.215 5.426 1.00 9.31 N ATOM 216 CA ASP A 14 25.192 3.103 4.035 1.00 10.48 C ATOM 217 C ASP A 14 23.764 2.580 4.007 1.00 9.97 C ATOM 218 O ASP A 14 23.518 1.415 3.685 1.00 8.14 O ATOM 219 CB ASP A 14 26.097 2.177 3.225 1.00 11.88 C ATOM 220 CG ASP A 14 25.714 2.155 1.751 1.00 16.41 C ATOM 221 OD1 ASP A 14 25.121 3.154 1.291 1.00 16.43 O ATOM 222 OD2 ASP A 14 26.004 1.161 1.056 1.00 17.77 O ATOM 223 HA ASP A 14 25.257 4.090 3.577 1.00 0.00 H ATOM 224 HB2 ASP A 14 27.127 2.522 3.317 1.00 0.00 H ATOM 225 HB3 ASP A 14 26.017 1.166 3.625 1.00 0.00 H ATOM 226 H ASP A 14 25.194 2.580 6.135 1.00 0.00 H ATOM 227 N SER A 15 22.831 3.459 4.353 1.00 11.09 N ATOM 228 CA SER A 15 21.411 3.129 4.389 1.00 16.52 C ATOM 229 C SER A 15 20.823 3.003 2.987 1.00 20.59 C ATOM 230 O SER A 15 19.812 2.330 2.791 1.00 21.07 O ATOM 231 CB SER A 15 20.639 4.214 5.147 1.00 16.55 C ATOM 232 OG SER A 15 21.247 4.522 6.385 1.00 15.77 O ATOM 233 HA SER A 15 21.316 2.168 4.895 1.00 0.00 H ATOM 234 HB2 SER A 15 19.624 3.863 5.330 1.00 0.00 H ATOM 235 HB3 SER A 15 20.605 5.116 4.536 1.00 0.00 H ATOM 236 HG SER A 15 21.276 3.709 6.949 1.00 0.00 H ATOM 237 H SER A 15 23.125 4.423 4.609 1.00 0.00 H ATOM 238 N SER A 16 21.463 3.655 2.019 1.00 24.49 N ATOM 239 CA SER A 16 21.004 3.646 0.628 1.00 28.51 C ATOM 240 C SER A 16 20.757 2.258 0.049 1.00 30.23 C ATOM 241 O SER A 16 20.193 2.128 -1.036 1.00 30.39 O ATOM 242 CB SER A 16 22.015 4.371 -0.265 1.00 28.97 C ATOM 243 OG SER A 16 22.266 5.683 0.202 1.00 32.37 O ATOM 244 HA SER A 16 20.042 4.157 0.644 1.00 0.00 H ATOM 245 HB2 SER A 16 21.619 4.425 -1.279 1.00 0.00 H ATOM 246 HB3 SER A 16 22.950 3.811 -0.270 1.00 0.00 H ATOM 247 HG SER A 16 22.921 6.125 -0.394 1.00 0.00 H ATOM 248 H SER A 16 22.321 4.191 2.259 1.00 0.00 H ATOM 249 N THR A 17 21.176 1.223 0.765 1.00 32.38 N ATOM 250 CA THR A 17 21.005 -0.140 0.284 1.00 34.04 C ATOM 251 C THR A 17 20.694 -1.121 1.414 1.00 35.31 C ATOM 252 O THR A 17 21.368 -1.127 2.442 1.00 34.43 O ATOM 253 CB THR A 17 22.270 -0.599 -0.455 1.00 34.81 C ATOM 254 OG1 THR A 17 23.420 -0.319 0.357 1.00 34.02 O ATOM 255 CG2 THR A 17 22.410 0.128 -1.787 1.00 35.12 C ATOM 256 HA THR A 17 20.153 -0.135 -0.396 1.00 0.00 H ATOM 257 HB THR A 17 22.194 -1.669 -0.646 1.00 0.00 H ATOM 258 HG1 THR A 17 23.342 -0.805 1.216 1.00 0.00 H ATOM 259 HG23 THR A 17 21.539 -0.082 -2.407 1.00 0.00 H ATOM 260 HG21 THR A 17 22.481 1.201 -1.608 1.00 0.00 H ATOM 261 HG22 THR A 17 23.311 -0.217 -2.295 1.00 0.00 H ATOM 262 H THR A 17 21.634 1.388 1.684 1.00 0.00 H ATOM 263 N SER A 18 19.673 -1.952 1.206 1.00 36.60 N ATOM 264 CA SER A 18 19.239 -2.940 2.197 1.00 38.06 C ATOM 265 C SER A 18 20.268 -4.048 2.400 1.00 39.40 C ATOM 266 O SER A 18 20.723 -4.295 3.518 1.00 37.59 O ATOM 267 CB SER A 18 17.912 -3.565 1.762 1.00 37.95 C ATOM 268 OG SER A 18 18.067 -4.281 0.549 1.00 38.33 O ATOM 269 HA SER A 18 19.121 -2.413 3.144 1.00 0.00 H ATOM 270 HB2 SER A 18 17.174 -2.775 1.619 1.00 0.00 H ATOM 271 HB3 SER A 18 17.566 -4.247 2.539 1.00 0.00 H ATOM 272 HG SER A 18 17.198 -4.676 0.287 1.00 0.00 H ATOM 273 H SER A 18 19.163 -1.897 0.302 1.00 0.00 H ATOM 274 N ALA A 19 20.602 -4.735 1.314 1.00 41.44 N ATOM 275 CA ALA A 19 21.591 -5.803 1.352 1.00 43.04 C ATOM 276 C ALA A 19 22.802 -5.232 0.638 1.00 44.05 C ATOM 277 O ALA A 19 23.937 -5.663 0.846 1.00 44.00 O ATOM 278 CB ALA A 19 21.072 -7.033 0.620 1.00 43.59 C ATOM 279 HA ALA A 19 21.822 -6.117 2.370 1.00 0.00 H ATOM 280 HB1 ALA A 19 20.156 -7.379 1.098 1.00 0.00 H ATOM 281 HB2 ALA A 19 20.866 -6.776 -0.419 1.00 0.00 H ATOM 282 HB3 ALA A 19 21.824 -7.821 0.658 1.00 0.00 H ATOM 283 H ALA A 19 20.144 -4.503 0.410 1.00 0.00 H ATOM 284 N ALA A 20 22.532 -4.244 -0.210 1.00 44.90 N ATOM 285 CA ALA A 20 23.571 -3.573 -0.969 1.00 45.36 C ATOM 286 C ALA A 20 24.455 -4.581 -1.659 1.00 45.15 C ATOM 287 O ALA A 20 23.997 -5.590 -2.198 1.00 45.39 O ATOM 288 CB ALA A 20 24.418 -2.728 -0.041 1.00 45.50 C ATOM 289 HA ALA A 20 23.096 -2.940 -1.719 1.00 0.00 H ATOM 290 HB1 ALA A 20 23.788 -1.984 0.446 1.00 0.00 H ATOM 291 HB2 ALA A 20 24.877 -3.367 0.713 1.00 0.00 H ATOM 292 HB3 ALA A 20 25.196 -2.227 -0.617 1.00 0.00 H ATOM 293 H ALA A 20 21.544 -3.942 -0.333 1.00 0.00 H ATOM 294 N SER A 21 25.741 -4.272 -1.624 1.00 44.26 N ATOM 295 CA SER A 21 26.770 -5.105 -2.194 1.00 42.76 C ATOM 296 C SER A 21 26.568 -5.591 -3.616 1.00 40.31 C ATOM 297 O SER A 21 25.479 -5.568 -4.187 1.00 41.94 O ATOM 298 CB SER A 21 27.022 -6.312 -1.288 1.00 43.58 C ATOM 299 OG SER A 21 25.870 -7.131 -1.202 1.00 45.11 O ATOM 300 HA SER A 21 27.629 -4.436 -2.257 1.00 0.00 H ATOM 301 HB2 SER A 21 27.285 -5.961 -0.290 1.00 0.00 H ATOM 302 HB3 SER A 21 27.846 -6.898 -1.695 1.00 0.00 H ATOM 303 HG SER A 21 25.119 -6.604 -0.829 1.00 0.00 H ATOM 304 H SER A 21 26.023 -3.384 -1.162 1.00 0.00 H ATOM 305 N SER A 22 27.660 -6.025 -4.155 1.00 38.16 N ATOM 306 CA SER A 22 27.893 -6.582 -5.447 1.00 34.45 C ATOM 307 C SER A 22 29.279 -7.055 -5.182 1.00 32.00 C ATOM 308 O SER A 22 29.953 -6.491 -4.316 1.00 31.28 O ATOM 309 CB SER A 22 27.910 -5.554 -6.583 1.00 34.38 C ATOM 310 OG SER A 22 28.893 -4.555 -6.354 1.00 35.03 O ATOM 311 HA SER A 22 27.142 -7.299 -5.777 1.00 0.00 H ATOM 312 HB2 SER A 22 26.930 -5.081 -6.650 1.00 0.00 H ATOM 313 HB3 SER A 22 28.131 -6.063 -7.521 1.00 0.00 H ATOM 314 HG SER A 22 28.882 -3.906 -7.101 1.00 0.00 H ATOM 315 H SER A 22 28.503 -5.957 -3.550 1.00 0.00 H ATOM 316 N SER A 23 29.769 -8.059 -5.846 1.00 28.59 N ATOM 317 CA SER A 23 31.123 -8.516 -5.567 1.00 25.24 C ATOM 318 C SER A 23 32.118 -7.358 -5.458 1.00 23.30 C ATOM 319 O SER A 23 33.144 -7.479 -4.793 1.00 23.89 O ATOM 320 CB SER A 23 31.576 -9.508 -6.640 1.00 23.37 C ATOM 321 OG SER A 23 31.371 -8.981 -7.935 1.00 17.17 O ATOM 322 HA SER A 23 31.104 -9.014 -4.598 1.00 0.00 H ATOM 323 HB2 SER A 23 31.006 -10.431 -6.536 1.00 0.00 H ATOM 324 HB3 SER A 23 32.637 -9.720 -6.505 1.00 0.00 H ATOM 325 HG SER A 23 31.671 -9.640 -8.610 1.00 0.00 H ATOM 326 H SER A 23 29.197 -8.534 -6.573 1.00 0.00 H ATOM 327 N ASN A 24 31.803 -6.231 -6.091 1.00 23.91 N ATOM 328 CA ASN A 24 32.687 -5.069 -6.065 1.00 23.16 C ATOM 329 C ASN A 24 32.243 -3.947 -5.130 1.00 20.56 C ATOM 330 O ASN A 24 32.791 -2.848 -5.178 1.00 18.40 O ATOM 331 CB ASN A 24 32.846 -4.504 -7.476 1.00 27.38 C ATOM 332 CG ASN A 24 33.537 -5.469 -8.414 1.00 30.19 C ATOM 333 OD1 ASN A 24 34.664 -5.899 -8.161 1.00 32.33 O ATOM 334 ND2 ASN A 24 32.866 -5.816 -9.506 1.00 31.48 N ATOM 335 HA ASN A 24 33.634 -5.438 -5.672 1.00 0.00 H ATOM 336 HB2 ASN A 24 31.857 -4.276 -7.875 1.00 0.00 H ATOM 337 HB3 ASN A 24 33.434 -3.588 -7.421 1.00 0.00 H ATOM 338 HD22 ASN A 24 31.917 -5.428 -9.678 1.00 0.00 H ATOM 339 HD21 ASN A 24 33.290 -6.476 -10.189 1.00 0.00 H ATOM 340 H ASN A 24 30.907 -6.176 -6.616 1.00 0.00 H ATOM 341 N TYR A 25 31.254 -4.223 -4.285 1.00 18.84 N ATOM 342 CA TYR A 25 30.741 -3.229 -3.349 1.00 16.72 C ATOM 343 C TYR A 25 31.861 -2.565 -2.554 1.00 14.85 C ATOM 344 O TYR A 25 32.044 -1.348 -2.607 1.00 14.22 O ATOM 345 CB TYR A 25 29.763 -3.886 -2.373 1.00 17.71 C ATOM 346 CG TYR A 25 29.237 -2.959 -1.295 1.00 17.95 C ATOM 347 CD1 TYR A 25 28.257 -2.009 -1.577 1.00 18.65 C ATOM 348 CD2 TYR A 25 29.723 -3.037 0.012 1.00 18.44 C ATOM 349 CE1 TYR A 25 27.767 -1.157 -0.581 1.00 19.09 C ATOM 350 CE2 TYR A 25 29.243 -2.192 1.013 1.00 17.74 C ATOM 351 CZ TYR A 25 28.267 -1.258 0.711 1.00 18.60 C ATOM 352 OH TYR A 25 27.786 -0.429 1.700 1.00 17.08 O ATOM 353 HA TYR A 25 30.234 -2.463 -3.936 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.272 -4.719 -1.888 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.914 -4.263 -2.943 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.491 -3.771 0.254 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.634 -2.267 2.028 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.999 -0.420 -0.817 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.865 -1.928 -2.591 1.00 0.00 H ATOM 360 HH TYR A 25 27.099 0.174 1.319 1.00 0.00 H ATOM 361 H TYR A 25 30.834 -5.175 -4.292 1.00 0.00 H ATOM 362 N CYS A 26 32.610 -3.376 -1.820 1.00 13.91 N ATOM 363 CA CYS A 26 33.696 -2.861 -0.998 1.00 13.53 C ATOM 364 C CYS A 26 34.773 -2.121 -1.779 1.00 13.01 C ATOM 365 O CYS A 26 35.246 -1.073 -1.340 1.00 11.70 O ATOM 366 CB CYS A 26 34.322 -3.993 -0.195 1.00 13.07 C ATOM 367 SG CYS A 26 33.294 -4.590 1.187 1.00 12.72 S ATOM 368 HA CYS A 26 33.246 -2.123 -0.334 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.270 -3.640 0.212 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.507 -4.829 -0.870 1.00 0.00 H ATOM 371 H CYS A 26 32.419 -4.398 -1.831 1.00 0.00 H ATOM 372 N ASN A 27 35.170 -2.658 -2.927 1.00 13.29 N ATOM 373 CA ASN A 27 36.191 -1.995 -3.726 1.00 14.01 C ATOM 374 C ASN A 27 35.759 -0.581 -4.088 1.00 14.41 C ATOM 375 O ASN A 27 36.574 0.338 -4.094 1.00 14.59 O ATOM 376 CB ASN A 27 36.487 -2.785 -5.005 1.00 14.99 C ATOM 377 CG ASN A 27 37.083 -4.148 -4.723 1.00 15.50 C ATOM 378 OD1 ASN A 27 37.918 -4.304 -3.829 1.00 14.86 O ATOM 379 ND2 ASN A 27 36.668 -5.144 -5.495 1.00 18.43 N ATOM 380 HA ASN A 27 37.099 -1.947 -3.125 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.556 -2.918 -5.557 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.190 -2.215 -5.613 1.00 0.00 H ATOM 383 HD22 ASN A 27 35.962 -4.967 -6.237 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.049 -6.102 -5.358 1.00 0.00 H ATOM 385 H ASN A 27 34.752 -3.552 -3.255 1.00 0.00 H ATOM 386 N GLN A 28 34.472 -0.407 -4.381 1.00 14.80 N ATOM 387 CA GLN A 28 33.948 0.904 -4.745 1.00 16.13 C ATOM 388 C GLN A 28 33.683 1.791 -3.531 1.00 15.02 C ATOM 389 O GLN A 28 34.016 2.974 -3.540 1.00 14.02 O ATOM 390 CB GLN A 28 32.653 0.753 -5.554 1.00 18.11 C ATOM 391 CG GLN A 28 32.797 -0.093 -6.811 1.00 22.45 C ATOM 392 CD GLN A 28 31.494 -0.231 -7.579 1.00 25.86 C ATOM 393 OE1 GLN A 28 30.464 -0.600 -7.014 1.00 27.06 O ATOM 394 NE2 GLN A 28 31.536 0.058 -8.876 1.00 27.08 N ATOM 395 HA GLN A 28 34.715 1.390 -5.348 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.902 0.290 -4.914 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.315 1.747 -5.848 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.538 0.372 -7.462 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.140 -1.087 -6.525 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.429 0.366 -9.311 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.676 -0.024 -9.455 1.00 0.00 H ATOM 402 H GLN A 28 33.827 -1.223 -4.350 1.00 0.00 H ATOM 403 N MET A 29 33.087 1.213 -2.491 1.00 15.38 N ATOM 404 CA MET A 29 32.755 1.958 -1.278 1.00 13.91 C ATOM 405 C MET A 29 33.957 2.393 -0.450 1.00 14.36 C ATOM 406 O MET A 29 33.980 3.501 0.084 1.00 11.57 O ATOM 407 CB MET A 29 31.803 1.136 -0.405 1.00 15.71 C ATOM 408 CG MET A 29 30.388 1.059 -0.950 1.00 17.03 C ATOM 409 SD MET A 29 29.647 2.695 -1.110 1.00 19.09 S ATOM 410 CE MET A 29 29.220 3.041 0.600 1.00 17.51 C ATOM 411 HA MET A 29 32.279 2.877 -1.621 1.00 0.00 H ATOM 412 HB2 MET A 29 32.197 0.123 -0.325 1.00 0.00 H ATOM 413 HB3 MET A 29 31.766 1.589 0.586 1.00 0.00 H ATOM 414 HG2 MET A 29 29.780 0.460 -0.272 1.00 0.00 H ATOM 415 HG3 MET A 29 30.412 0.584 -1.931 1.00 0.00 H ATOM 416 HE1 MET A 29 28.527 2.281 0.961 1.00 0.00 H ATOM 417 HE2 MET A 29 30.124 3.029 1.209 1.00 0.00 H ATOM 418 HE3 MET A 29 28.751 4.023 0.664 1.00 0.00 H ATOM 419 H MET A 29 32.851 0.202 -2.543 1.00 0.00 H ATOM 420 N MET A 30 34.953 1.524 -0.329 1.00 12.44 N ATOM 421 CA MET A 30 36.137 1.882 0.440 1.00 12.54 C ATOM 422 C MET A 30 36.837 3.065 -0.220 1.00 13.94 C ATOM 423 O MET A 30 37.451 3.890 0.451 1.00 13.37 O ATOM 424 CB MET A 30 37.088 0.689 0.539 1.00 12.16 C ATOM 425 CG MET A 30 36.563 -0.454 1.395 1.00 10.20 C ATOM 426 SD MET A 30 36.272 0.020 3.123 1.00 10.29 S ATOM 427 CE MET A 30 37.967 0.254 3.692 1.00 11.75 C ATOM 428 HA MET A 30 35.835 2.164 1.449 1.00 0.00 H ATOM 429 HB2 MET A 30 37.267 0.309 -0.467 1.00 0.00 H ATOM 430 HB3 MET A 30 38.028 1.035 0.969 1.00 0.00 H ATOM 431 HG2 MET A 30 37.292 -1.264 1.376 1.00 0.00 H ATOM 432 HG3 MET A 30 35.623 -0.803 0.968 1.00 0.00 H ATOM 433 HE1 MET A 30 38.519 -0.679 3.580 1.00 0.00 H ATOM 434 HE2 MET A 30 38.444 1.033 3.098 1.00 0.00 H ATOM 435 HE3 MET A 30 37.959 0.549 4.741 1.00 0.00 H ATOM 436 H MET A 30 34.888 0.590 -0.782 1.00 0.00 H ATOM 437 N LYS A 31 36.731 3.152 -1.541 1.00 14.45 N ATOM 438 CA LYS A 31 37.358 4.245 -2.269 1.00 15.90 C ATOM 439 C LYS A 31 36.515 5.516 -2.230 1.00 15.97 C ATOM 440 O LYS A 31 37.027 6.591 -1.919 1.00 15.78 O ATOM 441 CB LYS A 31 37.615 3.846 -3.726 1.00 18.38 C ATOM 442 CG LYS A 31 38.330 4.925 -4.526 1.00 21.40 C ATOM 443 CD LYS A 31 38.548 4.517 -5.973 1.00 24.50 C ATOM 444 CE LYS A 31 39.296 5.606 -6.733 1.00 25.94 C ATOM 445 NZ LYS A 31 39.540 5.244 -8.159 1.00 28.38 N ATOM 446 HA LYS A 31 38.307 4.453 -1.775 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.227 2.944 -3.736 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.657 3.638 -4.203 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.730 5.835 -4.504 1.00 0.00 H ATOM 450 HG3 LYS A 31 39.299 5.119 -4.066 1.00 0.00 H ATOM 451 HD2 LYS A 31 39.130 3.596 -6.002 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.581 4.349 -6.447 1.00 0.00 H ATOM 453 HE2 LYS A 31 40.256 5.776 -6.246 1.00 0.00 H ATOM 454 HE3 LYS A 31 38.707 6.523 -6.701 1.00 0.00 H ATOM 455 HZ1 LYS A 31 40.109 4.375 -8.202 1.00 0.00 H ATOM 456 HZ2 LYS A 31 38.629 5.088 -8.636 1.00 0.00 H ATOM 457 HZ3 LYS A 31 40.051 6.018 -8.629 1.00 0.00 H ATOM 458 H LYS A 31 36.193 2.430 -2.062 1.00 0.00 H ATOM 459 N SER A 32 35.224 5.391 -2.532 1.00 16.42 N ATOM 460 CA SER A 32 34.330 6.548 -2.541 1.00 15.78 C ATOM 461 C SER A 32 34.228 7.242 -1.186 1.00 15.47 C ATOM 462 O SER A 32 34.082 8.464 -1.119 1.00 15.03 O ATOM 463 CB SER A 32 32.929 6.143 -3.021 1.00 15.92 C ATOM 464 OG SER A 32 32.350 5.157 -2.185 1.00 18.91 O ATOM 465 HA SER A 32 34.769 7.264 -3.235 1.00 0.00 H ATOM 466 HB2 SER A 32 33.004 5.747 -4.034 1.00 0.00 H ATOM 467 HB3 SER A 32 32.288 7.025 -3.023 1.00 0.00 H ATOM 468 HG SER A 32 32.923 4.350 -2.183 1.00 0.00 H ATOM 469 H SER A 32 34.844 4.452 -2.766 1.00 0.00 H ATOM 470 N ARG A 33 34.305 6.468 -0.108 1.00 13.35 N ATOM 471 CA ARG A 33 34.226 7.038 1.231 1.00 13.45 C ATOM 472 C ARG A 33 35.602 7.503 1.717 1.00 13.51 C ATOM 473 O ARG A 33 35.787 7.814 2.893 1.00 14.63 O ATOM 474 CB ARG A 33 33.627 6.017 2.207 1.00 11.49 C ATOM 475 CG ARG A 33 32.188 5.605 1.882 1.00 10.08 C ATOM 476 CD ARG A 33 31.249 6.808 1.815 1.00 9.96 C ATOM 477 NE ARG A 33 29.855 6.413 1.613 1.00 10.33 N ATOM 478 CZ ARG A 33 29.053 5.975 2.577 1.00 10.48 C ATOM 479 NH1 ARG A 33 29.496 5.877 3.823 1.00 9.83 N ATOM 480 NH2 ARG A 33 27.806 5.625 2.293 1.00 10.19 N ATOM 481 HA ARG A 33 33.574 7.911 1.191 1.00 0.00 H ATOM 482 HB2 ARG A 33 34.250 5.123 2.192 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.641 6.451 3.207 1.00 0.00 H ATOM 484 HG2 ARG A 33 32.177 5.095 0.919 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.833 4.924 2.656 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.556 7.447 0.987 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.324 7.364 2.749 1.00 0.00 H ATOM 488 HE ARG A 33 29.466 6.480 0.651 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.864 5.533 4.574 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.475 6.144 4.049 1.00 0.00 H ATOM 491 HH22 ARG A 33 27.178 5.282 3.047 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.456 5.693 1.316 1.00 0.00 H ATOM 493 H ARG A 33 34.423 5.441 -0.222 1.00 0.00 H ATOM 494 N ASN A 34 36.558 7.549 0.792 1.00 15.44 N ATOM 495 CA ASN A 34 37.925 7.988 1.072 1.00 17.61 C ATOM 496 C ASN A 34 38.641 7.210 2.166 1.00 17.01 C ATOM 497 O ASN A 34 39.370 7.789 2.974 1.00 18.73 O ATOM 498 CB ASN A 34 37.934 9.479 1.416 1.00 20.30 C ATOM 499 CG ASN A 34 37.543 10.347 0.235 1.00 23.92 C ATOM 500 OD1 ASN A 34 38.087 10.198 -0.859 1.00 24.98 O ATOM 501 ND2 ASN A 34 36.604 11.262 0.452 1.00 26.05 N ATOM 502 HA ASN A 34 38.482 7.790 0.156 1.00 0.00 H ATOM 503 HB2 ASN A 34 37.230 9.655 2.229 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.937 9.758 1.739 1.00 0.00 H ATOM 505 HD22 ASN A 34 36.172 11.351 1.394 1.00 0.00 H ATOM 506 HD21 ASN A 34 36.301 11.889 -0.320 1.00 0.00 H ATOM 507 H ASN A 34 36.321 7.258 -0.178 1.00 0.00 H ATOM 508 N LEU A 35 38.453 5.896 2.178 1.00 16.80 N ATOM 509 CA LEU A 35 39.084 5.049 3.180 1.00 15.48 C ATOM 510 C LEU A 35 40.335 4.377 2.635 1.00 16.30 C ATOM 511 O LEU A 35 40.898 3.489 3.272 1.00 17.59 O ATOM 512 CB LEU A 35 38.090 3.989 3.662 1.00 14.91 C ATOM 513 CG LEU A 35 36.739 4.582 4.075 1.00 14.58 C ATOM 514 CD1 LEU A 35 35.826 3.489 4.596 1.00 14.98 C ATOM 515 CD2 LEU A 35 36.962 5.648 5.132 1.00 15.20 C ATOM 516 HA LEU A 35 39.382 5.681 4.017 1.00 0.00 H ATOM 517 HB2 LEU A 35 37.925 3.275 2.855 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.520 3.473 4.520 1.00 0.00 H ATOM 519 HG LEU A 35 36.259 5.038 3.209 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.446 5.201 6.000 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.597 6.434 4.725 1.00 0.00 H ATOM 522 HD23 LEU A 35 36.002 6.071 5.427 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.667 2.747 3.814 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.288 3.014 5.461 1.00 0.00 H ATOM 525 HD13 LEU A 35 34.869 3.924 4.886 1.00 0.00 H ATOM 526 H LEU A 35 37.842 5.462 1.457 1.00 0.00 H ATOM 527 N THR A 36 40.769 4.807 1.454 1.00 17.30 N ATOM 528 CA THR A 36 41.956 4.244 0.821 1.00 19.42 C ATOM 529 C THR A 36 42.893 5.347 0.343 1.00 21.60 C ATOM 530 O THR A 36 43.728 5.122 -0.531 1.00 22.51 O ATOM 531 CB THR A 36 41.583 3.378 -0.397 1.00 18.88 C ATOM 532 OG1 THR A 36 40.946 4.196 -1.388 1.00 19.17 O ATOM 533 CG2 THR A 36 40.637 2.258 0.011 1.00 19.67 C ATOM 534 HA THR A 36 42.451 3.630 1.573 1.00 0.00 H ATOM 535 HB THR A 36 42.494 2.939 -0.804 1.00 0.00 H ATOM 536 HG1 THR A 36 40.707 3.638 -2.170 1.00 0.00 H ATOM 537 HG23 THR A 36 41.118 1.634 0.764 1.00 0.00 H ATOM 538 HG21 THR A 36 39.724 2.687 0.422 1.00 0.00 H ATOM 539 HG22 THR A 36 40.394 1.653 -0.863 1.00 0.00 H ATOM 540 H THR A 36 40.248 5.565 0.969 1.00 0.00 H ATOM 541 N LYS A 37 42.757 6.535 0.924 1.00 23.41 N ATOM 542 CA LYS A 37 43.584 7.671 0.529 1.00 26.11 C ATOM 543 C LYS A 37 44.998 7.626 1.102 1.00 26.47 C ATOM 544 O LYS A 37 45.973 7.649 0.354 1.00 27.38 O ATOM 545 CB LYS A 37 42.901 8.979 0.938 1.00 28.54 C ATOM 546 CG LYS A 37 43.582 10.230 0.404 1.00 31.15 C ATOM 547 CD LYS A 37 42.845 11.490 0.835 1.00 34.16 C ATOM 548 CE LYS A 37 43.496 12.737 0.252 1.00 35.79 C ATOM 549 NZ LYS A 37 42.797 13.983 0.676 1.00 38.00 N ATOM 550 HA LYS A 37 43.686 7.616 -0.555 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.877 8.961 0.566 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.890 9.034 2.027 1.00 0.00 H ATOM 553 HG2 LYS A 37 44.603 10.268 0.784 1.00 0.00 H ATOM 554 HG3 LYS A 37 43.603 10.186 -0.685 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.813 11.434 0.490 1.00 0.00 H ATOM 556 HD3 LYS A 37 42.860 11.556 1.923 1.00 0.00 H ATOM 557 HE2 LYS A 37 43.470 12.672 -0.836 1.00 0.00 H ATOM 558 HE3 LYS A 37 44.532 12.783 0.588 1.00 0.00 H ATOM 559 HZ1 LYS A 37 41.809 13.951 0.354 1.00 0.00 H ATOM 560 HZ2 LYS A 37 42.823 14.058 1.713 1.00 0.00 H ATOM 561 HZ3 LYS A 37 43.274 14.806 0.256 1.00 0.00 H ATOM 562 H LYS A 37 42.048 6.657 1.675 1.00 0.00 H ATOM 563 N ASP A 38 45.108 7.566 2.424 1.00 26.71 N ATOM 564 CA ASP A 38 46.411 7.529 3.084 1.00 27.68 C ATOM 565 C ASP A 38 46.988 6.119 3.074 1.00 26.80 C ATOM 566 O ASP A 38 48.201 5.927 3.184 1.00 26.07 O ATOM 567 CB ASP A 38 46.279 8.020 4.529 1.00 30.93 C ATOM 568 CG ASP A 38 45.831 9.467 4.615 1.00 32.86 C ATOM 569 OD1 ASP A 38 44.809 9.814 3.987 1.00 36.34 O ATOM 570 OD2 ASP A 38 46.497 10.259 5.316 1.00 35.00 O ATOM 571 HA ASP A 38 47.088 8.184 2.536 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.548 7.397 5.044 1.00 0.00 H ATOM 573 HB3 ASP A 38 47.247 7.924 5.020 1.00 0.00 H ATOM 574 H ASP A 38 44.245 7.545 3.004 1.00 0.00 H ATOM 575 N ARG A 39 46.104 5.138 2.936 1.00 24.68 N ATOM 576 CA ARG A 39 46.488 3.734 2.914 1.00 23.58 C ATOM 577 C ARG A 39 45.225 2.905 2.730 1.00 22.12 C ATOM 578 O ARG A 39 44.121 3.446 2.735 1.00 21.11 O ATOM 579 CB ARG A 39 47.170 3.360 4.234 1.00 26.34 C ATOM 580 CG ARG A 39 46.392 3.791 5.474 1.00 30.74 C ATOM 581 CD ARG A 39 47.245 3.690 6.732 1.00 33.71 C ATOM 582 NE ARG A 39 47.489 2.308 7.133 1.00 36.11 N ATOM 583 CZ ARG A 39 46.586 1.529 7.719 1.00 37.45 C ATOM 584 NH1 ARG A 39 45.371 1.996 7.979 1.00 38.10 N ATOM 585 NH2 ARG A 39 46.898 0.284 8.050 1.00 38.72 N ATOM 586 HA ARG A 39 47.187 3.545 2.099 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.291 2.277 4.263 1.00 0.00 H ATOM 588 HB3 ARG A 39 48.151 3.835 4.261 1.00 0.00 H ATOM 589 HG2 ARG A 39 46.068 4.824 5.348 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.519 3.148 5.585 1.00 0.00 H ATOM 591 HD2 ARG A 39 46.732 4.205 7.545 1.00 0.00 H ATOM 592 HD3 ARG A 39 48.203 4.174 6.545 1.00 0.00 H ATOM 593 HE ARG A 39 48.431 1.907 6.948 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.666 1.384 8.438 1.00 0.00 H ATOM 595 HH11 ARG A 39 45.124 2.974 7.724 1.00 0.00 H ATOM 596 HH22 ARG A 39 46.191 -0.325 8.509 1.00 0.00 H ATOM 597 HH21 ARG A 39 47.850 -0.084 7.851 1.00 0.00 H ATOM 598 H ARG A 39 45.098 5.382 2.840 1.00 0.00 H ATOM 599 N CYS A 40 45.384 1.600 2.548 1.00 20.42 N ATOM 600 CA CYS A 40 44.226 0.731 2.395 1.00 18.75 C ATOM 601 C CYS A 40 43.732 0.396 3.798 1.00 17.76 C ATOM 602 O CYS A 40 44.356 -0.402 4.493 1.00 18.23 O ATOM 603 CB CYS A 40 44.599 -0.577 1.684 1.00 17.45 C ATOM 604 SG CYS A 40 45.259 -0.457 -0.015 1.00 16.09 S ATOM 605 HA CYS A 40 43.467 1.236 1.798 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.701 -1.194 1.643 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.353 -1.076 2.293 1.00 0.00 H ATOM 608 H CYS A 40 46.342 1.196 2.514 1.00 0.00 H ATOM 609 N LYS A 41 42.634 1.008 4.234 1.00 17.47 N ATOM 610 CA LYS A 41 42.125 0.688 5.563 1.00 16.10 C ATOM 611 C LYS A 41 41.860 -0.815 5.538 1.00 16.43 C ATOM 612 O LYS A 41 41.053 -1.296 4.743 1.00 15.28 O ATOM 613 CB LYS A 41 40.835 1.453 5.866 1.00 15.22 C ATOM 614 CG LYS A 41 40.343 1.234 7.295 1.00 17.01 C ATOM 615 CD LYS A 41 39.137 2.089 7.638 1.00 14.87 C ATOM 616 CE LYS A 41 38.651 1.774 9.051 1.00 17.35 C ATOM 617 NZ LYS A 41 37.501 2.618 9.461 1.00 20.54 N ATOM 618 HA LYS A 41 42.836 0.970 6.340 1.00 0.00 H ATOM 619 HB2 LYS A 41 41.017 2.517 5.719 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.061 1.119 5.175 1.00 0.00 H ATOM 621 HG2 LYS A 41 40.072 0.185 7.414 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.152 1.479 7.984 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.413 3.142 7.578 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.336 1.884 6.928 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.472 1.940 9.748 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.348 0.728 9.091 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.781 3.619 9.435 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.707 2.461 8.808 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.212 2.363 10.427 1.00 0.00 H ATOM 630 H LYS A 41 42.146 1.705 3.636 1.00 0.00 H ATOM 631 N PRO A 42 42.551 -1.574 6.403 1.00 16.05 N ATOM 632 CA PRO A 42 42.460 -3.032 6.540 1.00 16.37 C ATOM 633 C PRO A 42 41.063 -3.640 6.664 1.00 16.55 C ATOM 634 O PRO A 42 40.708 -4.550 5.917 1.00 16.57 O ATOM 635 CB PRO A 42 43.315 -3.312 7.773 1.00 17.58 C ATOM 636 CG PRO A 42 44.349 -2.240 7.704 1.00 19.24 C ATOM 637 CD PRO A 42 43.518 -1.028 7.372 1.00 17.35 C ATOM 638 HA PRO A 42 42.797 -3.509 5.620 1.00 0.00 H ATOM 639 HD3 PRO A 42 43.015 -0.638 8.257 1.00 0.00 H ATOM 640 HD2 PRO A 42 44.126 -0.241 6.925 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.082 -2.445 6.923 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.861 -2.121 8.659 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.726 -3.232 8.687 1.00 0.00 H ATOM 644 HB3 PRO A 42 43.770 -4.301 7.720 1.00 0.00 H ATOM 645 N VAL A 43 40.283 -3.150 7.620 1.00 15.94 N ATOM 646 CA VAL A 43 38.939 -3.668 7.837 1.00 15.89 C ATOM 647 C VAL A 43 37.967 -2.534 8.116 1.00 13.58 C ATOM 648 O VAL A 43 38.278 -1.610 8.869 1.00 13.83 O ATOM 649 CB VAL A 43 38.912 -4.655 9.028 1.00 19.09 C ATOM 650 CG1 VAL A 43 39.433 -3.977 10.277 1.00 20.89 C ATOM 651 CG2 VAL A 43 37.498 -5.166 9.255 1.00 21.09 C ATOM 652 HA VAL A 43 38.639 -4.192 6.929 1.00 0.00 H ATOM 653 HB VAL A 43 39.555 -5.504 8.796 1.00 0.00 H ATOM 654 HG11 VAL A 43 40.458 -3.646 10.109 1.00 0.00 H ATOM 655 HG12 VAL A 43 38.806 -3.117 10.510 1.00 0.00 H ATOM 656 HG13 VAL A 43 39.409 -4.682 11.108 1.00 0.00 H ATOM 657 HG21 VAL A 43 36.840 -4.325 9.473 1.00 0.00 H ATOM 658 HG22 VAL A 43 37.150 -5.679 8.358 1.00 0.00 H ATOM 659 HG23 VAL A 43 37.494 -5.859 10.096 1.00 0.00 H ATOM 660 H VAL A 43 40.638 -2.382 8.225 1.00 0.00 H ATOM 661 N ASN A 44 36.789 -2.606 7.506 1.00 11.52 N ATOM 662 CA ASN A 44 35.777 -1.577 7.700 1.00 9.87 C ATOM 663 C ASN A 44 34.387 -2.129 7.420 1.00 9.99 C ATOM 664 O ASN A 44 34.168 -2.785 6.408 1.00 11.39 O ATOM 665 CB ASN A 44 36.040 -0.390 6.778 1.00 9.71 C ATOM 666 CG ASN A 44 35.130 0.779 7.078 1.00 9.26 C ATOM 667 OD1 ASN A 44 35.313 1.473 8.077 1.00 9.84 O ATOM 668 ND2 ASN A 44 34.133 0.996 6.223 1.00 8.53 N ATOM 669 HA ASN A 44 35.829 -1.249 8.738 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.075 -0.071 6.903 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.880 -0.704 5.747 1.00 0.00 H ATOM 672 HD22 ASN A 44 34.018 0.382 5.391 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.469 1.779 6.387 1.00 0.00 H ATOM 674 H ASN A 44 36.586 -3.411 6.879 1.00 0.00 H ATOM 675 N THR A 45 33.441 -1.833 8.305 1.00 7.54 N ATOM 676 CA THR A 45 32.078 -2.328 8.148 1.00 6.82 C ATOM 677 C THR A 45 31.069 -1.229 7.823 1.00 6.76 C ATOM 678 O THR A 45 31.137 -0.129 8.369 1.00 6.03 O ATOM 679 CB THR A 45 31.618 -3.042 9.431 1.00 6.74 C ATOM 680 OG1 THR A 45 32.534 -4.102 9.733 1.00 6.64 O ATOM 681 CG2 THR A 45 30.218 -3.617 9.255 1.00 8.93 C ATOM 682 HA THR A 45 32.107 -3.017 7.304 1.00 0.00 H ATOM 683 HB THR A 45 31.597 -2.320 10.247 1.00 0.00 H ATOM 684 HG1 THR A 45 32.551 -4.746 8.981 1.00 0.00 H ATOM 685 HG23 THR A 45 29.522 -2.811 9.025 1.00 0.00 H ATOM 686 HG21 THR A 45 30.223 -4.338 8.438 1.00 0.00 H ATOM 687 HG22 THR A 45 29.911 -4.112 10.176 1.00 0.00 H ATOM 688 H THR A 45 33.677 -1.238 9.124 1.00 0.00 H ATOM 689 N PHE A 46 30.139 -1.541 6.924 1.00 5.93 N ATOM 690 CA PHE A 46 29.082 -0.612 6.527 1.00 7.72 C ATOM 691 C PHE A 46 27.759 -1.175 7.041 1.00 7.73 C ATOM 692 O PHE A 46 27.482 -2.367 6.888 1.00 8.74 O ATOM 693 CB PHE A 46 29.036 -0.479 4.999 1.00 7.32 C ATOM 694 CG PHE A 46 30.177 0.310 4.424 1.00 9.62 C ATOM 695 CD1 PHE A 46 30.187 1.697 4.495 1.00 8.93 C ATOM 696 CD2 PHE A 46 31.255 -0.338 3.831 1.00 10.30 C ATOM 697 CE1 PHE A 46 31.256 2.431 3.983 1.00 9.35 C ATOM 698 CE2 PHE A 46 32.332 0.388 3.316 1.00 9.61 C ATOM 699 CZ PHE A 46 32.330 1.773 3.394 1.00 9.45 C ATOM 700 HA PHE A 46 29.269 0.377 6.945 1.00 0.00 H ATOM 701 HB2 PHE A 46 29.057 -1.479 4.566 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.104 0.015 4.725 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.260 -1.426 3.767 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.171 -0.132 2.854 1.00 0.00 H ATOM 705 HZ PHE A 46 33.168 2.344 2.995 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.250 3.519 4.044 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.348 2.218 4.957 1.00 0.00 H ATOM 708 H PHE A 46 30.165 -2.484 6.486 1.00 0.00 H ATOM 709 N VAL A 47 26.947 -0.323 7.658 1.00 6.55 N ATOM 710 CA VAL A 47 25.670 -0.760 8.200 1.00 6.98 C ATOM 711 C VAL A 47 24.525 -0.291 7.324 1.00 7.14 C ATOM 712 O VAL A 47 24.405 0.897 7.019 1.00 7.46 O ATOM 713 CB VAL A 47 25.461 -0.230 9.635 1.00 5.63 C ATOM 714 CG1 VAL A 47 24.164 -0.780 10.211 1.00 7.01 C ATOM 715 CG2 VAL A 47 26.640 -0.620 10.513 1.00 6.97 C ATOM 716 HA VAL A 47 25.684 -1.850 8.224 1.00 0.00 H ATOM 717 HB VAL A 47 25.395 0.858 9.605 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.328 -0.464 9.587 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.211 -1.869 10.234 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.027 -0.399 11.223 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.727 -1.706 10.541 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.554 -0.192 10.102 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.481 -0.241 11.522 1.00 0.00 H ATOM 724 H VAL A 47 27.229 0.673 7.755 1.00 0.00 H ATOM 725 N HIS A 48 23.684 -1.240 6.923 1.00 8.82 N ATOM 726 CA HIS A 48 22.540 -0.956 6.067 1.00 9.07 C ATOM 727 C HIS A 48 21.257 -0.831 6.876 1.00 10.92 C ATOM 728 O HIS A 48 20.354 -1.669 6.784 1.00 11.26 O ATOM 729 CB HIS A 48 22.398 -2.060 5.021 1.00 8.47 C ATOM 730 CG HIS A 48 23.665 -2.345 4.278 1.00 10.18 C ATOM 731 ND1 HIS A 48 24.310 -1.398 3.512 1.00 12.27 N ATOM 732 CD2 HIS A 48 24.410 -3.472 4.189 1.00 11.90 C ATOM 733 CE1 HIS A 48 25.398 -1.930 2.982 1.00 12.13 C ATOM 734 NE2 HIS A 48 25.481 -3.188 3.377 1.00 12.02 N ATOM 735 HA HIS A 48 22.712 -0.001 5.571 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.080 -2.973 5.524 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.636 -1.758 4.302 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.199 -4.426 4.672 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.106 -1.418 2.330 1.00 0.00 H ATOM 740 H HIS A 48 23.849 -2.219 7.231 1.00 0.00 H ATOM 741 N GLU A 49 21.199 0.228 7.676 1.00 9.69 N ATOM 742 CA GLU A 49 20.048 0.528 8.519 1.00 9.19 C ATOM 743 C GLU A 49 19.951 2.047 8.553 1.00 8.30 C ATOM 744 O GLU A 49 20.890 2.741 8.156 1.00 8.65 O ATOM 745 CB GLU A 49 20.260 0.001 9.944 1.00 9.08 C ATOM 746 CG GLU A 49 20.446 -1.514 10.076 1.00 8.33 C ATOM 747 CD GLU A 49 19.237 -2.321 9.616 1.00 10.43 C ATOM 748 OE1 GLU A 49 18.123 -1.760 9.538 1.00 11.82 O ATOM 749 OE2 GLU A 49 19.397 -3.534 9.347 1.00 10.74 O ATOM 750 HA GLU A 49 19.145 0.059 8.129 1.00 0.00 H ATOM 751 HB2 GLU A 49 21.149 0.484 10.350 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.391 0.284 10.538 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.306 -1.809 9.475 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.638 -1.748 11.123 1.00 0.00 H ATOM 755 H GLU A 49 22.014 0.874 7.702 1.00 0.00 H ATOM 756 N SER A 50 18.827 2.568 9.027 1.00 8.81 N ATOM 757 CA SER A 50 18.648 4.015 9.095 1.00 8.37 C ATOM 758 C SER A 50 19.606 4.620 10.110 1.00 9.64 C ATOM 759 O SER A 50 20.012 3.957 11.061 1.00 7.45 O ATOM 760 CB SER A 50 17.214 4.354 9.501 1.00 10.09 C ATOM 761 OG SER A 50 16.966 3.983 10.849 1.00 10.12 O ATOM 762 HA SER A 50 18.855 4.429 8.108 1.00 0.00 H ATOM 763 HB2 SER A 50 16.523 3.818 8.850 1.00 0.00 H ATOM 764 HB3 SER A 50 17.056 5.427 9.391 1.00 0.00 H ATOM 765 HG SER A 50 16.033 4.212 11.087 1.00 0.00 H ATOM 766 H SER A 50 18.066 1.939 9.353 1.00 0.00 H ATOM 767 N LEU A 51 19.965 5.884 9.912 1.00 10.27 N ATOM 768 CA LEU A 51 20.866 6.546 10.839 1.00 9.50 C ATOM 769 C LEU A 51 20.254 6.511 12.234 1.00 8.75 C ATOM 770 O LEU A 51 20.951 6.292 13.221 1.00 8.42 O ATOM 771 CB LEU A 51 21.112 7.998 10.415 1.00 9.75 C ATOM 772 CG LEU A 51 22.019 8.793 11.360 1.00 10.71 C ATOM 773 CD1 LEU A 51 23.368 8.088 11.498 1.00 10.08 C ATOM 774 CD2 LEU A 51 22.204 10.206 10.835 1.00 9.89 C ATOM 775 HA LEU A 51 21.823 6.025 10.838 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.573 7.991 9.427 1.00 0.00 H ATOM 777 HB3 LEU A 51 20.148 8.505 10.361 1.00 0.00 H ATOM 778 HG LEU A 51 21.554 8.849 12.344 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.661 10.168 9.846 1.00 0.00 H ATOM 780 HD22 LEU A 51 21.234 10.698 10.770 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.850 10.763 11.514 1.00 0.00 H ATOM 782 HD11 LEU A 51 23.214 7.088 11.902 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.841 8.017 10.519 1.00 0.00 H ATOM 784 HD13 LEU A 51 24.008 8.659 12.171 1.00 0.00 H ATOM 785 H LEU A 51 19.599 6.402 9.088 1.00 0.00 H ATOM 786 N ALA A 52 18.944 6.714 12.306 1.00 9.18 N ATOM 787 CA ALA A 52 18.249 6.706 13.584 1.00 8.97 C ATOM 788 C ALA A 52 18.419 5.365 14.288 1.00 7.84 C ATOM 789 O ALA A 52 18.708 5.318 15.485 1.00 7.81 O ATOM 790 CB ALA A 52 16.767 7.006 13.376 1.00 11.22 C ATOM 791 HA ALA A 52 18.685 7.480 14.215 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.658 7.987 12.914 1.00 0.00 H ATOM 793 HB2 ALA A 52 16.332 6.247 12.726 1.00 0.00 H ATOM 794 HB3 ALA A 52 16.257 6.997 14.339 1.00 0.00 H ATOM 795 H ALA A 52 18.405 6.882 11.433 1.00 0.00 H ATOM 796 N ASP A 53 18.250 4.274 13.548 1.00 7.62 N ATOM 797 CA ASP A 53 18.377 2.946 14.140 1.00 8.07 C ATOM 798 C ASP A 53 19.781 2.668 14.669 1.00 7.53 C ATOM 799 O ASP A 53 19.943 2.034 15.715 1.00 8.08 O ATOM 800 CB ASP A 53 17.977 1.867 13.128 1.00 10.67 C ATOM 801 CG ASP A 53 16.475 1.652 13.065 1.00 12.18 C ATOM 802 OD1 ASP A 53 15.730 2.435 13.692 1.00 13.88 O ATOM 803 OD2 ASP A 53 16.040 0.698 12.384 1.00 13.80 O ATOM 804 HA ASP A 53 17.699 2.918 14.993 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.329 2.167 12.141 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.453 0.928 13.412 1.00 0.00 H ATOM 807 H ASP A 53 18.025 4.368 12.537 1.00 0.00 H ATOM 808 N VAL A 54 20.795 3.135 13.949 1.00 7.13 N ATOM 809 CA VAL A 54 22.168 2.924 14.378 1.00 6.65 C ATOM 810 C VAL A 54 22.503 3.834 15.558 1.00 5.81 C ATOM 811 O VAL A 54 23.144 3.406 16.520 1.00 6.37 O ATOM 812 CB VAL A 54 23.146 3.164 13.205 1.00 5.87 C ATOM 813 CG1 VAL A 54 24.596 3.081 13.687 1.00 6.86 C ATOM 814 CG2 VAL A 54 22.900 2.112 12.129 1.00 7.92 C ATOM 815 HA VAL A 54 22.275 1.889 14.703 1.00 0.00 H ATOM 816 HB VAL A 54 22.976 4.160 12.797 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.767 3.839 14.451 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.782 2.092 14.106 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.268 3.253 12.846 1.00 0.00 H ATOM 820 HG21 VAL A 54 23.065 1.120 12.548 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.873 2.191 11.773 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.587 2.276 11.299 1.00 0.00 H ATOM 823 H VAL A 54 20.605 3.657 13.070 1.00 0.00 H ATOM 824 N GLN A 55 22.066 5.088 15.489 1.00 6.32 N ATOM 825 CA GLN A 55 22.317 6.031 16.577 1.00 6.89 C ATOM 826 C GLN A 55 21.666 5.536 17.865 1.00 8.43 C ATOM 827 O GLN A 55 22.195 5.740 18.962 1.00 7.27 O ATOM 828 CB GLN A 55 21.769 7.416 16.216 1.00 8.19 C ATOM 829 CG GLN A 55 22.694 8.237 15.325 1.00 9.12 C ATOM 830 CD GLN A 55 22.051 9.530 14.841 1.00 9.45 C ATOM 831 OE1 GLN A 55 20.726 9.587 14.889 1.00 10.11 O ATOM 832 NE2 GLN A 55 22.742 10.461 14.417 1.00 11.37 N ATOM 833 HA GLN A 55 23.394 6.105 16.730 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.820 7.284 15.696 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.602 7.970 17.140 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.593 8.485 15.890 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.966 7.636 14.457 1.00 0.00 H ATOM 838 HE22 GLN A 55 23.778 10.373 14.398 1.00 0.00 H ATOM 839 HE21 GLN A 55 22.288 11.334 14.079 1.00 0.00 H ATOM 840 H GLN A 55 21.538 5.402 14.649 1.00 0.00 H ATOM 841 N ALA A 56 20.523 4.872 17.722 1.00 7.14 N ATOM 842 CA ALA A 56 19.782 4.350 18.864 1.00 6.95 C ATOM 843 C ALA A 56 20.528 3.260 19.625 1.00 7.40 C ATOM 844 O ALA A 56 20.196 2.967 20.774 1.00 6.17 O ATOM 845 CB ALA A 56 18.432 3.824 18.407 1.00 7.80 C ATOM 846 HA ALA A 56 19.653 5.182 19.556 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.864 4.634 17.949 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.582 3.026 17.679 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.885 3.436 19.266 1.00 0.00 H ATOM 850 H ALA A 56 20.145 4.720 16.765 1.00 0.00 H ATOM 851 N VAL A 57 21.528 2.653 18.992 1.00 4.82 N ATOM 852 CA VAL A 57 22.288 1.597 19.653 1.00 5.47 C ATOM 853 C VAL A 57 23.002 2.143 20.897 1.00 5.84 C ATOM 854 O VAL A 57 23.278 1.401 21.848 1.00 4.18 O ATOM 855 CB VAL A 57 23.307 0.954 18.674 1.00 5.32 C ATOM 856 CG1 VAL A 57 24.116 -0.129 19.376 1.00 4.87 C ATOM 857 CG2 VAL A 57 22.561 0.346 17.497 1.00 6.25 C ATOM 858 HA VAL A 57 21.589 0.823 19.971 1.00 0.00 H ATOM 859 HB VAL A 57 23.990 1.727 18.322 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.659 0.310 20.213 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.442 -0.903 19.744 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.824 -0.566 18.672 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.872 -0.417 17.860 1.00 0.00 H ATOM 864 HG22 VAL A 57 22.002 1.126 16.981 1.00 0.00 H ATOM 865 HG23 VAL A 57 23.276 -0.106 16.809 1.00 0.00 H ATOM 866 H VAL A 57 21.770 2.933 18.020 1.00 0.00 H ATOM 867 N CYS A 58 23.263 3.447 20.904 1.00 4.56 N ATOM 868 CA CYS A 58 23.937 4.080 22.033 1.00 6.59 C ATOM 869 C CYS A 58 23.142 4.014 23.334 1.00 8.47 C ATOM 870 O CYS A 58 23.682 4.290 24.405 1.00 7.14 O ATOM 871 CB CYS A 58 24.247 5.541 21.714 1.00 6.09 C ATOM 872 SG CYS A 58 25.463 5.777 20.381 1.00 6.59 S ATOM 873 HA CYS A 58 24.856 3.515 22.186 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.635 6.013 22.617 1.00 0.00 H ATOM 875 HB3 CYS A 58 23.319 6.031 21.420 1.00 0.00 H ATOM 876 H CYS A 58 22.981 4.027 20.088 1.00 0.00 H ATOM 877 N SER A 59 21.865 3.657 23.241 1.00 8.14 N ATOM 878 CA SER A 59 21.020 3.552 24.427 1.00 9.23 C ATOM 879 C SER A 59 20.611 2.100 24.652 1.00 7.82 C ATOM 880 O SER A 59 19.701 1.806 25.435 1.00 7.91 O ATOM 881 CB SER A 59 19.773 4.424 24.265 1.00 12.89 C ATOM 882 OG SER A 59 18.991 4.000 23.165 1.00 19.24 O ATOM 883 HA SER A 59 21.586 3.900 25.291 1.00 0.00 H ATOM 884 HB2 SER A 59 20.080 5.458 24.106 1.00 0.00 H ATOM 885 HB3 SER A 59 19.174 4.360 25.173 1.00 0.00 H ATOM 886 HG SER A 59 19.529 4.061 22.336 1.00 0.00 H ATOM 887 H SER A 59 21.460 3.449 22.306 1.00 0.00 H ATOM 888 N GLN A 60 21.298 1.195 23.964 1.00 6.67 N ATOM 889 CA GLN A 60 20.991 -0.218 24.074 1.00 6.17 C ATOM 890 C GLN A 60 21.912 -1.000 25.018 1.00 7.13 C ATOM 891 O GLN A 60 22.264 -0.481 26.078 1.00 8.20 O ATOM 892 CB GLN A 60 20.892 -0.809 22.660 1.00 6.74 C ATOM 893 CG GLN A 60 19.582 -0.334 21.993 1.00 7.30 C ATOM 894 CD GLN A 60 19.434 -0.676 20.517 1.00 6.65 C ATOM 895 OE1 GLN A 60 19.786 -1.770 20.073 1.00 8.45 O ATOM 896 NE2 GLN A 60 18.879 0.261 19.752 1.00 7.22 N ATOM 897 HA GLN A 60 20.024 -0.321 24.566 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.744 -0.476 22.066 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.896 -1.897 22.720 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.749 -0.789 22.528 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.528 0.750 22.093 1.00 0.00 H ATOM 902 HE22 GLN A 60 18.596 1.171 20.168 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.728 0.083 18.739 1.00 0.00 H ATOM 904 H GLN A 60 22.068 1.504 23.337 1.00 0.00 H ATOM 905 N LYS A 61 22.300 -2.225 24.673 1.00 7.68 N ATOM 906 CA LYS A 61 23.116 -3.017 25.597 1.00 8.03 C ATOM 907 C LYS A 61 24.553 -2.555 25.822 1.00 7.62 C ATOM 908 O LYS A 61 25.382 -2.608 24.924 1.00 7.67 O ATOM 909 CB LYS A 61 23.131 -4.492 25.182 1.00 9.43 C ATOM 910 CG LYS A 61 23.770 -5.386 26.239 1.00 11.45 C ATOM 911 CD LYS A 61 23.873 -6.837 25.806 1.00 14.32 C ATOM 912 CE LYS A 61 24.514 -7.681 26.907 1.00 16.48 C ATOM 913 NZ LYS A 61 24.592 -9.120 26.540 1.00 20.62 N ATOM 914 HA LYS A 61 22.616 -2.866 26.553 1.00 0.00 H ATOM 915 HB2 LYS A 61 22.105 -4.821 25.019 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.694 -4.589 24.254 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.773 -5.014 26.449 1.00 0.00 H ATOM 918 HG3 LYS A 61 23.168 -5.336 27.146 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.875 -7.220 25.595 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.483 -6.900 24.905 1.00 0.00 H ATOM 921 HE2 LYS A 61 23.920 -7.582 27.816 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.522 -7.311 27.091 1.00 0.00 H ATOM 923 HZ1 LYS A 61 23.633 -9.485 26.369 1.00 0.00 H ATOM 924 HZ2 LYS A 61 25.163 -9.226 25.677 1.00 0.00 H ATOM 925 HZ3 LYS A 61 25.034 -9.651 27.317 1.00 0.00 H ATOM 926 H LYS A 61 22.025 -2.619 23.751 1.00 0.00 H ATOM 927 N ASN A 62 24.842 -2.123 27.045 1.00 7.46 N ATOM 928 CA ASN A 62 26.181 -1.663 27.397 1.00 7.96 C ATOM 929 C ASN A 62 27.110 -2.870 27.534 1.00 8.18 C ATOM 930 O ASN A 62 26.851 -3.778 28.336 1.00 8.85 O ATOM 931 CB ASN A 62 26.130 -0.891 28.722 1.00 8.64 C ATOM 932 CG ASN A 62 27.439 -0.194 29.052 1.00 10.95 C ATOM 933 OD1 ASN A 62 27.718 0.105 30.217 1.00 9.57 O ATOM 934 ND2 ASN A 62 28.242 0.088 28.031 1.00 10.76 N ATOM 935 HA ASN A 62 26.558 -1.003 26.616 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.343 -0.140 28.657 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.897 -1.591 29.524 1.00 0.00 H ATOM 938 HD22 ASN A 62 27.969 -0.182 27.065 1.00 0.00 H ATOM 939 HD21 ASN A 62 29.144 0.578 28.199 1.00 0.00 H ATOM 940 H ASN A 62 24.095 -2.113 27.769 1.00 0.00 H ATOM 941 N VAL A 63 28.185 -2.882 26.750 1.00 6.92 N ATOM 942 CA VAL A 63 29.160 -3.964 26.788 1.00 7.81 C ATOM 943 C VAL A 63 30.569 -3.379 26.782 1.00 8.44 C ATOM 944 O VAL A 63 30.778 -2.245 26.356 1.00 7.64 O ATOM 945 CB VAL A 63 29.026 -4.912 25.564 1.00 6.44 C ATOM 946 CG1 VAL A 63 27.658 -5.556 25.541 1.00 7.52 C ATOM 947 CG2 VAL A 63 29.277 -4.145 24.276 1.00 7.38 C ATOM 948 HA VAL A 63 28.973 -4.537 27.696 1.00 0.00 H ATOM 949 HB VAL A 63 29.774 -5.700 25.650 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.514 -6.133 26.454 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.894 -4.781 25.475 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.583 -6.216 24.677 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.548 -3.340 24.186 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.283 -3.725 24.295 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.180 -4.822 23.427 1.00 0.00 H ATOM 956 H VAL A 63 28.334 -2.093 26.089 1.00 0.00 H ATOM 957 N ALA A 64 31.538 -4.151 27.257 1.00 7.86 N ATOM 958 CA ALA A 64 32.913 -3.674 27.285 1.00 7.68 C ATOM 959 C ALA A 64 33.497 -3.554 25.882 1.00 7.23 C ATOM 960 O ALA A 64 33.292 -4.427 25.029 1.00 6.74 O ATOM 961 CB ALA A 64 33.781 -4.610 28.122 1.00 8.40 C ATOM 962 HA ALA A 64 32.905 -2.681 27.735 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.395 -4.647 29.141 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.759 -5.609 27.687 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.806 -4.240 28.133 1.00 0.00 H ATOM 966 H ALA A 64 31.314 -5.103 27.611 1.00 0.00 H ATOM 967 N CYS A 65 34.220 -2.462 25.653 1.00 7.05 N ATOM 968 CA CYS A 65 34.884 -2.227 24.378 1.00 6.36 C ATOM 969 C CYS A 65 36.148 -3.073 24.337 1.00 5.78 C ATOM 970 O CYS A 65 36.729 -3.374 25.378 1.00 7.34 O ATOM 971 CB CYS A 65 35.330 -0.777 24.240 1.00 6.15 C ATOM 972 SG CYS A 65 34.061 0.528 24.261 1.00 6.89 S ATOM 973 HA CYS A 65 34.182 -2.474 23.581 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.863 -0.693 23.293 1.00 0.00 H ATOM 975 HB3 CYS A 65 36.017 -0.572 25.061 1.00 0.00 H ATOM 976 H CYS A 65 34.314 -1.753 26.408 1.00 0.00 H ATOM 977 N LYS A 66 36.589 -3.427 23.136 1.00 7.25 N ATOM 978 CA LYS A 66 37.805 -4.220 22.981 1.00 7.46 C ATOM 979 C LYS A 66 39.001 -3.527 23.634 1.00 7.78 C ATOM 980 O LYS A 66 39.909 -4.197 24.126 1.00 10.17 O ATOM 981 CB LYS A 66 38.100 -4.473 21.498 1.00 8.06 C ATOM 982 CG LYS A 66 37.169 -5.484 20.836 1.00 7.83 C ATOM 983 CD LYS A 66 37.484 -5.644 19.357 1.00 14.44 C ATOM 984 CE LYS A 66 36.560 -6.654 18.701 1.00 14.82 C ATOM 985 NZ LYS A 66 36.749 -6.701 17.225 1.00 17.14 N ATOM 986 HA LYS A 66 37.642 -5.175 23.480 1.00 0.00 H ATOM 987 HB2 LYS A 66 38.010 -3.526 20.965 1.00 0.00 H ATOM 988 HB3 LYS A 66 39.122 -4.842 21.411 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.284 -6.449 21.330 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.140 -5.143 20.945 1.00 0.00 H ATOM 991 HD2 LYS A 66 37.365 -4.680 18.862 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.514 -5.982 19.248 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.527 -6.379 18.916 1.00 0.00 H ATOM 994 HE3 LYS A 66 36.766 -7.641 19.115 1.00 0.00 H ATOM 995 HZ1 LYS A 66 36.548 -5.764 16.821 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.731 -6.969 17.011 1.00 0.00 H ATOM 997 HZ3 LYS A 66 36.100 -7.403 16.816 1.00 0.00 H ATOM 998 H LYS A 66 36.059 -3.134 22.290 1.00 0.00 H ATOM 999 N ASN A 67 38.991 -2.195 23.659 1.00 8.14 N ATOM 1000 CA ASN A 67 40.095 -1.436 24.252 1.00 9.27 C ATOM 1001 C ASN A 67 39.995 -1.267 25.767 1.00 10.08 C ATOM 1002 O ASN A 67 40.802 -0.560 26.372 1.00 11.64 O ATOM 1003 CB ASN A 67 40.216 -0.052 23.593 1.00 9.76 C ATOM 1004 CG ASN A 67 39.072 0.883 23.958 1.00 10.45 C ATOM 1005 OD1 ASN A 67 38.163 0.517 24.696 1.00 10.35 O ATOM 1006 ND2 ASN A 67 39.119 2.107 23.434 1.00 8.39 N ATOM 1007 HA ASN A 67 40.988 -2.031 24.061 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.153 0.404 23.912 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.227 -0.182 22.511 1.00 0.00 H ATOM 1010 HD22 ASN A 67 39.908 2.377 22.813 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.367 2.793 23.646 1.00 0.00 H ATOM 1012 H ASN A 67 38.183 -1.684 23.249 1.00 0.00 H ATOM 1013 N GLY A 68 39.003 -1.907 26.377 1.00 8.96 N ATOM 1014 CA GLY A 68 38.845 -1.813 27.819 1.00 7.91 C ATOM 1015 C GLY A 68 37.929 -0.704 28.304 1.00 8.08 C ATOM 1016 O GLY A 68 37.542 -0.685 29.474 1.00 8.45 O ATOM 1017 HA3 GLY A 68 39.830 -1.650 28.255 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.443 -2.761 28.176 1.00 0.00 H ATOM 1019 H GLY A 68 38.336 -2.478 25.820 1.00 0.00 H ATOM 1020 N GLN A 69 37.586 0.235 27.424 1.00 9.31 N ATOM 1021 CA GLN A 69 36.693 1.313 27.818 1.00 9.75 C ATOM 1022 C GLN A 69 35.307 0.722 28.018 1.00 9.93 C ATOM 1023 O GLN A 69 35.017 -0.369 27.526 1.00 9.22 O ATOM 1024 CB GLN A 69 36.660 2.414 26.758 1.00 12.91 C ATOM 1025 CG GLN A 69 37.969 3.170 26.657 1.00 17.40 C ATOM 1026 CD GLN A 69 37.781 4.634 26.303 1.00 23.84 C ATOM 1027 OE1 GLN A 69 38.742 5.401 26.297 1.00 27.82 O ATOM 1028 NE2 GLN A 69 36.542 5.032 26.021 1.00 26.30 N ATOM 1029 HA GLN A 69 37.048 1.768 28.743 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.444 1.960 25.791 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.869 3.119 27.012 1.00 0.00 H ATOM 1032 HG2 GLN A 69 38.482 3.107 27.617 1.00 0.00 H ATOM 1033 HG3 GLN A 69 38.583 2.702 25.887 1.00 0.00 H ATOM 1034 HE22 GLN A 69 35.759 4.347 26.038 1.00 0.00 H ATOM 1035 HE21 GLN A 69 36.357 6.027 25.783 1.00 0.00 H ATOM 1036 H GLN A 69 37.957 0.197 26.453 1.00 0.00 H ATOM 1037 N THR A 70 34.451 1.443 28.731 1.00 7.83 N ATOM 1038 CA THR A 70 33.111 0.954 29.032 1.00 8.54 C ATOM 1039 C THR A 70 31.998 1.590 28.217 1.00 8.56 C ATOM 1040 O THR A 70 30.822 1.315 28.461 1.00 10.93 O ATOM 1041 CB THR A 70 32.780 1.171 30.520 1.00 11.18 C ATOM 1042 OG1 THR A 70 32.815 2.573 30.811 1.00 11.48 O ATOM 1043 CG2 THR A 70 33.799 0.464 31.402 1.00 13.56 C ATOM 1044 HA THR A 70 33.145 -0.103 28.768 1.00 0.00 H ATOM 1045 HB THR A 70 31.789 0.764 30.720 1.00 0.00 H ATOM 1046 HG1 THR A 70 32.148 3.042 30.250 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.782 -0.605 31.190 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.793 0.861 31.196 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.549 0.632 32.450 1.00 0.00 H ATOM 1050 H THR A 70 34.742 2.377 29.083 1.00 0.00 H ATOM 1051 N ASN A 71 32.351 2.419 27.240 1.00 6.41 N ATOM 1052 CA ASN A 71 31.330 3.090 26.448 1.00 6.67 C ATOM 1053 C ASN A 71 30.946 2.417 25.133 1.00 6.77 C ATOM 1054 O ASN A 71 30.758 3.089 24.118 1.00 6.30 O ATOM 1055 CB ASN A 71 31.743 4.546 26.185 1.00 6.88 C ATOM 1056 CG ASN A 71 33.000 4.658 25.347 1.00 6.22 C ATOM 1057 OD1 ASN A 71 34.015 4.027 25.638 1.00 8.02 O ATOM 1058 ND2 ASN A 71 32.941 5.479 24.302 1.00 6.71 N ATOM 1059 HA ASN A 71 30.430 3.032 27.060 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.930 5.050 25.663 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.918 5.037 27.142 1.00 0.00 H ATOM 1062 HD22 ASN A 71 32.061 5.993 24.093 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.775 5.607 23.694 1.00 0.00 H ATOM 1064 H ASN A 71 33.358 2.589 27.041 1.00 0.00 H ATOM 1065 N CYS A 72 30.835 1.093 25.142 1.00 5.62 N ATOM 1066 CA CYS A 72 30.423 0.385 23.934 1.00 4.17 C ATOM 1067 C CYS A 72 29.026 -0.168 24.104 1.00 5.32 C ATOM 1068 O CYS A 72 28.600 -0.488 25.217 1.00 5.85 O ATOM 1069 CB CYS A 72 31.413 -0.722 23.570 1.00 5.48 C ATOM 1070 SG CYS A 72 32.828 0.041 22.726 1.00 5.86 S ATOM 1071 HA CYS A 72 30.416 1.096 23.108 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.934 -1.444 22.909 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.751 -1.228 24.474 1.00 0.00 H ATOM 1074 H CYS A 72 31.042 0.560 26.011 1.00 0.00 H ATOM 1075 N TYR A 73 28.308 -0.266 22.993 1.00 5.04 N ATOM 1076 CA TYR A 73 26.938 -0.742 23.028 1.00 5.87 C ATOM 1077 C TYR A 73 26.643 -1.717 21.912 1.00 5.92 C ATOM 1078 O TYR A 73 27.088 -1.535 20.777 1.00 7.11 O ATOM 1079 CB TYR A 73 25.986 0.450 22.953 1.00 5.41 C ATOM 1080 CG TYR A 73 26.268 1.465 24.032 1.00 6.09 C ATOM 1081 CD1 TYR A 73 27.276 2.418 23.871 1.00 5.47 C ATOM 1082 CD2 TYR A 73 25.593 1.419 25.249 1.00 5.88 C ATOM 1083 CE1 TYR A 73 27.610 3.296 24.900 1.00 7.55 C ATOM 1084 CE2 TYR A 73 25.919 2.292 26.282 1.00 8.25 C ATOM 1085 CZ TYR A 73 26.929 3.225 26.100 1.00 5.25 C ATOM 1086 OH TYR A 73 27.270 4.076 27.127 1.00 9.27 O ATOM 1087 HA TYR A 73 26.793 -1.277 23.966 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.963 0.091 23.065 1.00 0.00 H ATOM 1089 HB2 TYR A 73 26.097 0.929 21.980 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.797 0.688 25.394 1.00 0.00 H ATOM 1091 HE2 TYR A 73 25.383 2.243 27.230 1.00 0.00 H ATOM 1092 HE1 TYR A 73 28.401 4.032 24.760 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.811 2.476 22.923 1.00 0.00 H ATOM 1094 HH TYR A 73 28.003 4.672 26.831 1.00 0.00 H ATOM 1095 H TYR A 73 28.734 0.003 22.083 1.00 0.00 H ATOM 1096 N GLN A 74 25.881 -2.752 22.255 1.00 4.41 N ATOM 1097 CA GLN A 74 25.502 -3.799 21.314 1.00 5.30 C ATOM 1098 C GLN A 74 24.025 -3.676 20.957 1.00 5.16 C ATOM 1099 O GLN A 74 23.185 -3.506 21.839 1.00 6.12 O ATOM 1100 CB GLN A 74 25.769 -5.161 21.951 1.00 6.31 C ATOM 1101 CG GLN A 74 25.546 -6.335 21.027 1.00 7.02 C ATOM 1102 CD GLN A 74 25.997 -7.642 21.645 1.00 10.01 C ATOM 1103 OE1 GLN A 74 27.114 -7.751 22.160 1.00 11.09 O ATOM 1104 NE2 GLN A 74 25.136 -8.646 21.591 1.00 10.69 N ATOM 1105 HA GLN A 74 26.090 -3.697 20.402 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.806 -5.183 22.287 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.107 -5.272 22.810 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.483 -6.404 20.796 1.00 0.00 H ATOM 1109 HG3 GLN A 74 26.106 -6.169 20.107 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.205 -8.510 21.147 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.390 -9.571 21.992 1.00 0.00 H ATOM 1112 H GLN A 74 25.541 -2.817 23.236 1.00 0.00 H ATOM 1113 N SER A 75 23.704 -3.758 19.669 1.00 6.01 N ATOM 1114 CA SER A 75 22.310 -3.644 19.245 1.00 6.89 C ATOM 1115 C SER A 75 21.509 -4.864 19.688 1.00 7.56 C ATOM 1116 O SER A 75 22.001 -5.990 19.636 1.00 8.81 O ATOM 1117 CB SER A 75 22.218 -3.484 17.721 1.00 8.47 C ATOM 1118 OG SER A 75 22.692 -4.629 17.031 1.00 7.94 O ATOM 1119 HA SER A 75 21.887 -2.757 19.717 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.814 -2.622 17.422 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.176 -3.316 17.448 1.00 0.00 H ATOM 1122 HG SER A 75 22.151 -5.417 17.291 1.00 0.00 H ATOM 1123 H SER A 75 24.450 -3.904 18.959 1.00 0.00 H ATOM 1124 N TYR A 76 20.278 -4.637 20.137 1.00 7.19 N ATOM 1125 CA TYR A 76 19.430 -5.738 20.579 1.00 7.79 C ATOM 1126 C TYR A 76 18.973 -6.568 19.386 1.00 8.40 C ATOM 1127 O TYR A 76 18.878 -7.792 19.472 1.00 10.87 O ATOM 1128 CB TYR A 76 18.218 -5.210 21.349 1.00 7.14 C ATOM 1129 CG TYR A 76 18.557 -4.685 22.723 1.00 8.32 C ATOM 1130 CD1 TYR A 76 19.111 -5.522 23.694 1.00 6.97 C ATOM 1131 CD2 TYR A 76 18.344 -3.348 23.051 1.00 6.87 C ATOM 1132 CE1 TYR A 76 19.446 -5.036 24.959 1.00 7.92 C ATOM 1133 CE2 TYR A 76 18.673 -2.855 24.311 1.00 9.08 C ATOM 1134 CZ TYR A 76 19.224 -3.701 25.258 1.00 8.68 C ATOM 1135 OH TYR A 76 19.556 -3.206 26.499 1.00 9.30 O ATOM 1136 HA TYR A 76 20.014 -6.373 21.245 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.498 -6.021 21.458 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.768 -4.402 20.772 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.913 -2.676 22.309 1.00 0.00 H ATOM 1140 HE2 TYR A 76 18.497 -1.806 24.551 1.00 0.00 H ATOM 1141 HE1 TYR A 76 19.879 -5.701 25.706 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.285 -6.572 23.460 1.00 0.00 H ATOM 1143 HH TYR A 76 18.745 -2.845 26.937 1.00 0.00 H ATOM 1144 H TYR A 76 19.916 -3.663 20.173 1.00 0.00 H ATOM 1145 N SER A 77 18.697 -5.900 18.272 1.00 10.32 N ATOM 1146 CA SER A 77 18.275 -6.596 17.064 1.00 10.89 C ATOM 1147 C SER A 77 19.467 -6.739 16.131 1.00 11.05 C ATOM 1148 O SER A 77 20.451 -6.000 16.240 1.00 9.59 O ATOM 1149 CB SER A 77 17.162 -5.816 16.356 1.00 13.44 C ATOM 1150 OG SER A 77 15.963 -5.830 17.112 1.00 15.20 O ATOM 1151 HA SER A 77 17.892 -7.580 17.335 1.00 0.00 H ATOM 1152 HB2 SER A 77 16.974 -6.269 15.383 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.484 -4.784 16.218 1.00 0.00 H ATOM 1154 HG SER A 77 15.265 -5.320 16.630 1.00 0.00 H ATOM 1155 H SER A 77 18.784 -4.864 18.262 1.00 0.00 H ATOM 1156 N THR A 78 19.397 -7.707 15.228 1.00 9.51 N ATOM 1157 CA THR A 78 20.477 -7.886 14.277 1.00 9.57 C ATOM 1158 C THR A 78 20.291 -6.807 13.226 1.00 9.60 C ATOM 1159 O THR A 78 19.177 -6.309 13.029 1.00 9.59 O ATOM 1160 CB THR A 78 20.420 -9.261 13.583 1.00 10.74 C ATOM 1161 OG1 THR A 78 19.170 -9.400 12.894 1.00 12.92 O ATOM 1162 CG2 THR A 78 20.571 -10.378 14.603 1.00 12.18 C ATOM 1163 HA THR A 78 21.435 -7.825 14.793 1.00 0.00 H ATOM 1164 HB THR A 78 21.240 -9.328 12.868 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.087 -8.684 12.215 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.522 -10.267 15.123 1.00 0.00 H ATOM 1167 HG21 THR A 78 19.754 -10.324 15.322 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.545 -11.341 14.092 1.00 0.00 H ATOM 1169 H THR A 78 18.570 -8.336 15.202 1.00 0.00 H ATOM 1170 N MET A 79 21.384 -6.433 12.570 1.00 6.95 N ATOM 1171 CA MET A 79 21.335 -5.421 11.523 1.00 7.72 C ATOM 1172 C MET A 79 22.039 -5.938 10.288 1.00 6.31 C ATOM 1173 O MET A 79 22.935 -6.779 10.376 1.00 6.25 O ATOM 1174 CB MET A 79 22.011 -4.128 11.976 1.00 8.64 C ATOM 1175 CG MET A 79 21.368 -3.497 13.189 1.00 8.43 C ATOM 1176 SD MET A 79 22.069 -1.880 13.551 1.00 9.51 S ATOM 1177 CE MET A 79 20.722 -1.148 14.457 1.00 9.50 C ATOM 1178 HA MET A 79 20.289 -5.210 11.302 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.052 -4.349 12.214 1.00 0.00 H ATOM 1180 HB3 MET A 79 21.971 -3.413 11.154 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.521 -4.149 14.049 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.300 -3.386 13.005 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.836 -1.114 13.823 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.514 -1.748 15.343 1.00 0.00 H ATOM 1185 HE3 MET A 79 20.995 -0.136 14.757 1.00 0.00 H ATOM 1186 H MET A 79 22.296 -6.873 12.809 1.00 0.00 H ATOM 1187 N SER A 80 21.618 -5.438 9.135 1.00 8.19 N ATOM 1188 CA SER A 80 22.223 -5.823 7.871 1.00 8.64 C ATOM 1189 C SER A 80 23.534 -5.055 7.751 1.00 10.03 C ATOM 1190 O SER A 80 23.552 -3.828 7.843 1.00 9.35 O ATOM 1191 CB SER A 80 21.300 -5.456 6.712 1.00 11.07 C ATOM 1192 OG SER A 80 21.923 -5.726 5.466 1.00 11.02 O ATOM 1193 HA SER A 80 22.394 -6.899 7.837 1.00 0.00 H ATOM 1194 HB2 SER A 80 21.059 -4.394 6.769 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.383 -6.040 6.787 1.00 0.00 H ATOM 1196 HG SER A 80 21.307 -5.481 4.731 1.00 0.00 H ATOM 1197 H SER A 80 20.835 -4.753 9.135 1.00 0.00 H ATOM 1198 N ILE A 81 24.633 -5.775 7.557 1.00 9.24 N ATOM 1199 CA ILE A 81 25.930 -5.122 7.434 1.00 11.09 C ATOM 1200 C ILE A 81 26.758 -5.730 6.316 1.00 12.83 C ATOM 1201 O ILE A 81 26.421 -6.783 5.772 1.00 13.52 O ATOM 1202 CB ILE A 81 26.755 -5.228 8.744 1.00 9.84 C ATOM 1203 CG1 ILE A 81 27.170 -6.684 8.994 1.00 12.33 C ATOM 1204 CG2 ILE A 81 25.932 -4.699 9.921 1.00 10.11 C ATOM 1205 CD1 ILE A 81 28.055 -6.878 10.216 1.00 12.39 C ATOM 1206 HA ILE A 81 25.717 -4.076 7.215 1.00 0.00 H ATOM 1207 HB ILE A 81 27.657 -4.624 8.645 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.267 -7.279 9.127 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.712 -7.041 8.118 1.00 0.00 H ATOM 1210 HD11 ILE A 81 28.971 -6.299 10.095 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.524 -6.539 11.105 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.302 -7.935 10.320 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.673 -3.656 9.742 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.021 -5.289 10.020 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.518 -4.777 10.837 1.00 0.00 H ATOM 1216 H ILE A 81 24.568 -6.811 7.492 1.00 0.00 H ATOM 1217 N THR A 82 27.838 -5.041 5.970 1.00 11.99 N ATOM 1218 CA THR A 82 28.756 -5.516 4.947 1.00 12.02 C ATOM 1219 C THR A 82 30.159 -5.289 5.476 1.00 12.13 C ATOM 1220 O THR A 82 30.548 -4.152 5.759 1.00 12.89 O ATOM 1221 CB THR A 82 28.604 -4.751 3.616 1.00 12.61 C ATOM 1222 OG1 THR A 82 27.314 -5.008 3.052 1.00 11.89 O ATOM 1223 CG2 THR A 82 29.673 -5.201 2.623 1.00 14.03 C ATOM 1224 HA THR A 82 28.545 -6.566 4.742 1.00 0.00 H ATOM 1225 HB THR A 82 28.717 -3.685 3.816 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.613 -4.708 3.684 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.661 -5.010 3.043 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.560 -6.267 2.428 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.559 -4.646 1.692 1.00 0.00 H ATOM 1230 H THR A 82 28.033 -4.136 6.444 1.00 0.00 H ATOM 1231 N ASP A 83 30.904 -6.375 5.637 1.00 12.17 N ATOM 1232 CA ASP A 83 32.272 -6.284 6.116 1.00 14.07 C ATOM 1233 C ASP A 83 33.213 -6.213 4.928 1.00 13.24 C ATOM 1234 O ASP A 83 33.075 -6.972 3.967 1.00 11.55 O ATOM 1235 CB ASP A 83 32.640 -7.500 6.969 1.00 15.46 C ATOM 1236 CG ASP A 83 31.916 -7.518 8.294 1.00 19.30 C ATOM 1237 OD1 ASP A 83 31.916 -6.479 8.986 1.00 16.57 O ATOM 1238 OD2 ASP A 83 31.356 -8.575 8.650 1.00 22.14 O ATOM 1239 HA ASP A 83 32.362 -5.388 6.730 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.383 -8.405 6.418 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.713 -7.483 7.157 1.00 0.00 H ATOM 1242 H ASP A 83 30.501 -7.308 5.416 1.00 0.00 H ATOM 1243 N CYS A 84 34.160 -5.288 4.995 1.00 12.70 N ATOM 1244 CA CYS A 84 35.143 -5.129 3.938 1.00 13.45 C ATOM 1245 C CYS A 84 36.511 -5.477 4.511 1.00 14.63 C ATOM 1246 O CYS A 84 36.989 -4.832 5.446 1.00 14.94 O ATOM 1247 CB CYS A 84 35.138 -3.693 3.416 1.00 11.97 C ATOM 1248 SG CYS A 84 33.587 -3.173 2.611 1.00 10.98 S ATOM 1249 HA CYS A 84 34.905 -5.788 3.103 1.00 0.00 H ATOM 1250 HB2 CYS A 84 35.946 -3.593 2.691 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.323 -3.026 4.258 1.00 0.00 H ATOM 1252 H CYS A 84 34.200 -4.661 5.824 1.00 0.00 H ATOM 1253 N ARG A 85 37.128 -6.509 3.946 1.00 17.99 N ATOM 1254 CA ARG A 85 38.435 -6.976 4.392 1.00 20.80 C ATOM 1255 C ARG A 85 39.434 -6.912 3.240 1.00 21.22 C ATOM 1256 O ARG A 85 39.193 -7.476 2.172 1.00 20.12 O ATOM 1257 CB ARG A 85 38.312 -8.417 4.897 1.00 24.65 C ATOM 1258 CG ARG A 85 39.616 -9.064 5.333 1.00 30.09 C ATOM 1259 CD ARG A 85 39.396 -10.542 5.621 1.00 35.18 C ATOM 1260 NE ARG A 85 40.627 -11.232 5.995 1.00 38.29 N ATOM 1261 CZ ARG A 85 40.714 -12.544 6.196 1.00 40.50 C ATOM 1262 NH1 ARG A 85 39.640 -13.311 6.060 1.00 40.96 N ATOM 1263 NH2 ARG A 85 41.875 -13.091 6.533 1.00 41.25 N ATOM 1264 HA ARG A 85 38.791 -6.337 5.200 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.633 -8.419 5.750 1.00 0.00 H ATOM 1266 HB3 ARG A 85 37.888 -9.021 4.095 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.355 -8.957 4.539 1.00 0.00 H ATOM 1268 HG3 ARG A 85 39.980 -8.571 6.235 1.00 0.00 H ATOM 1269 HD2 ARG A 85 38.988 -11.015 4.728 1.00 0.00 H ATOM 1270 HD3 ARG A 85 38.681 -10.636 6.438 1.00 0.00 H ATOM 1271 HE ARG A 85 41.489 -10.662 6.111 1.00 0.00 H ATOM 1272 HH12 ARG A 85 39.710 -14.337 6.218 1.00 0.00 H ATOM 1273 HH11 ARG A 85 38.728 -12.887 5.796 1.00 0.00 H ATOM 1274 HH22 ARG A 85 41.940 -14.117 6.690 1.00 0.00 H ATOM 1275 HH21 ARG A 85 42.720 -12.494 6.641 1.00 0.00 H ATOM 1276 H ARG A 85 36.662 -7.001 3.157 1.00 0.00 H ATOM 1277 N GLU A 86 40.551 -6.223 3.456 1.00 22.71 N ATOM 1278 CA GLU A 86 41.569 -6.096 2.418 1.00 24.68 C ATOM 1279 C GLU A 86 42.145 -7.455 2.041 1.00 26.22 C ATOM 1280 O GLU A 86 42.537 -8.233 2.909 1.00 26.98 O ATOM 1281 CB GLU A 86 42.708 -5.186 2.880 1.00 24.40 C ATOM 1282 CG GLU A 86 43.731 -4.910 1.787 1.00 24.68 C ATOM 1283 CD GLU A 86 44.930 -4.126 2.275 1.00 24.14 C ATOM 1284 OE1 GLU A 86 45.731 -3.687 1.425 1.00 24.04 O ATOM 1285 OE2 GLU A 86 45.080 -3.954 3.503 1.00 27.18 O ATOM 1286 HA GLU A 86 41.084 -5.658 1.545 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.284 -4.237 3.206 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.216 -5.663 3.718 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.079 -5.863 1.389 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.245 -4.342 0.993 1.00 0.00 H ATOM 1291 H GLU A 86 40.701 -5.768 4.379 1.00 0.00 H ATOM 1292 N THR A 87 42.200 -7.729 0.742 1.00 27.56 N ATOM 1293 CA THR A 87 42.736 -8.992 0.249 1.00 30.22 C ATOM 1294 C THR A 87 44.226 -9.101 0.559 1.00 31.43 C ATOM 1295 O THR A 87 44.855 -8.136 0.994 1.00 31.56 O ATOM 1296 CB THR A 87 42.542 -9.122 -1.272 1.00 30.20 C ATOM 1297 OG1 THR A 87 43.236 -8.059 -1.936 1.00 30.62 O ATOM 1298 CG2 THR A 87 41.065 -9.056 -1.628 1.00 30.88 C ATOM 1299 HA THR A 87 42.193 -9.792 0.752 1.00 0.00 H ATOM 1300 HB THR A 87 42.941 -10.084 -1.594 1.00 0.00 H ATOM 1301 HG1 THR A 87 42.875 -7.189 -1.630 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.535 -9.864 -1.124 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.658 -8.097 -1.308 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.948 -9.160 -2.707 1.00 0.00 H ATOM 1305 H THR A 87 41.852 -7.025 0.060 1.00 0.00 H ATOM 1306 N GLY A 88 44.786 -10.284 0.333 1.00 32.82 N ATOM 1307 CA GLY A 88 46.198 -10.491 0.598 1.00 32.90 C ATOM 1308 C GLY A 88 47.086 -10.020 -0.537 1.00 32.67 C ATOM 1309 O GLY A 88 48.290 -9.846 -0.354 1.00 33.21 O ATOM 1310 HA3 GLY A 88 46.370 -11.556 0.756 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.467 -9.943 1.501 1.00 0.00 H ATOM 1312 H GLY A 88 44.209 -11.067 -0.036 1.00 0.00 H ATOM 1313 N SER A 89 46.496 -9.814 -1.711 1.00 32.21 N ATOM 1314 CA SER A 89 47.250 -9.364 -2.877 1.00 31.44 C ATOM 1315 C SER A 89 47.005 -7.887 -3.162 1.00 29.85 C ATOM 1316 O SER A 89 47.537 -7.334 -4.126 1.00 29.96 O ATOM 1317 CB SER A 89 46.868 -10.190 -4.107 1.00 31.95 C ATOM 1318 OG SER A 89 45.509 -9.991 -4.449 1.00 34.38 O ATOM 1319 HA SER A 89 48.309 -9.502 -2.658 1.00 0.00 H ATOM 1320 HB2 SER A 89 47.031 -11.246 -3.892 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.495 -9.890 -4.947 1.00 0.00 H ATOM 1322 HG SER A 89 45.287 -10.535 -5.246 1.00 0.00 H ATOM 1323 H SER A 89 45.473 -9.977 -1.800 1.00 0.00 H ATOM 1324 N SER A 90 46.190 -7.258 -2.321 1.00 27.48 N ATOM 1325 CA SER A 90 45.870 -5.843 -2.465 1.00 24.75 C ATOM 1326 C SER A 90 47.122 -4.989 -2.301 1.00 23.52 C ATOM 1327 O SER A 90 47.858 -5.135 -1.325 1.00 25.04 O ATOM 1328 CB SER A 90 44.830 -5.434 -1.419 1.00 23.70 C ATOM 1329 OG SER A 90 44.650 -4.030 -1.401 1.00 20.52 O ATOM 1330 HA SER A 90 45.464 -5.682 -3.464 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.166 -5.763 -0.435 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.879 -5.912 -1.656 1.00 0.00 H ATOM 1333 HG SER A 90 43.974 -3.794 -0.717 1.00 0.00 H ATOM 1334 H SER A 90 45.767 -7.792 -1.535 1.00 0.00 H ATOM 1335 N LYS A 91 47.358 -4.095 -3.255 1.00 22.59 N ATOM 1336 CA LYS A 91 48.524 -3.221 -3.204 1.00 21.73 C ATOM 1337 C LYS A 91 48.154 -1.761 -3.425 1.00 19.81 C ATOM 1338 O LYS A 91 47.735 -1.373 -4.516 1.00 20.30 O ATOM 1339 CB LYS A 91 49.558 -3.641 -4.255 1.00 23.36 C ATOM 1340 CG LYS A 91 50.179 -5.012 -4.025 1.00 24.90 C ATOM 1341 CD LYS A 91 50.910 -5.080 -2.691 1.00 27.80 C ATOM 1342 CE LYS A 91 51.549 -6.446 -2.478 1.00 27.36 C ATOM 1343 NZ LYS A 91 52.192 -6.554 -1.135 1.00 28.16 N ATOM 1344 HA LYS A 91 48.949 -3.320 -2.205 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.069 -3.649 -5.229 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.359 -2.902 -4.258 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.390 -5.764 -4.035 1.00 0.00 H ATOM 1348 HG3 LYS A 91 50.887 -5.219 -4.828 1.00 0.00 H ATOM 1349 HD2 LYS A 91 51.688 -4.317 -2.673 1.00 0.00 H ATOM 1350 HD3 LYS A 91 50.199 -4.891 -1.886 1.00 0.00 H ATOM 1351 HE2 LYS A 91 52.306 -6.605 -3.246 1.00 0.00 H ATOM 1352 HE3 LYS A 91 50.779 -7.213 -2.564 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 52.933 -5.829 -1.047 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 51.475 -6.410 -0.396 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 52.615 -7.498 -1.029 1.00 0.00 H ATOM 1356 H LYS A 91 46.698 -4.017 -4.055 1.00 0.00 H ATOM 1357 N TYR A 92 48.309 -0.961 -2.375 1.00 19.27 N ATOM 1358 CA TYR A 92 48.026 0.466 -2.434 1.00 17.61 C ATOM 1359 C TYR A 92 48.743 1.025 -3.663 1.00 18.65 C ATOM 1360 O TYR A 92 49.861 0.606 -3.973 1.00 17.42 O ATOM 1361 CB TYR A 92 48.566 1.141 -1.170 1.00 18.42 C ATOM 1362 CG TYR A 92 48.390 2.640 -1.128 1.00 18.85 C ATOM 1363 CD1 TYR A 92 47.180 3.211 -0.733 1.00 19.10 C ATOM 1364 CD2 TYR A 92 49.439 3.491 -1.469 1.00 20.94 C ATOM 1365 CE1 TYR A 92 47.021 4.594 -0.676 1.00 20.24 C ATOM 1366 CE2 TYR A 92 49.291 4.875 -1.416 1.00 20.53 C ATOM 1367 CZ TYR A 92 48.081 5.418 -1.017 1.00 21.87 C ATOM 1368 OH TYR A 92 47.936 6.785 -0.947 1.00 22.42 O ATOM 1369 HA TYR A 92 46.954 0.649 -2.499 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.631 0.922 -1.097 1.00 0.00 H ATOM 1371 HB2 TYR A 92 48.049 0.714 -0.310 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.393 3.066 -1.783 1.00 0.00 H ATOM 1373 HE2 TYR A 92 50.122 5.526 -1.687 1.00 0.00 H ATOM 1374 HE1 TYR A 92 46.069 5.025 -0.365 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.345 2.564 -0.464 1.00 0.00 H ATOM 1376 HH TYR A 92 47.018 7.003 -0.648 1.00 0.00 H ATOM 1377 H TYR A 92 48.644 -1.369 -1.479 1.00 0.00 H ATOM 1378 N PRO A 93 48.123 1.986 -4.371 1.00 18.47 N ATOM 1379 CA PRO A 93 46.812 2.602 -4.129 1.00 19.03 C ATOM 1380 C PRO A 93 45.626 1.812 -4.683 1.00 19.94 C ATOM 1381 O PRO A 93 44.477 2.242 -4.565 1.00 20.32 O ATOM 1382 CB PRO A 93 46.952 3.956 -4.808 1.00 19.18 C ATOM 1383 CG PRO A 93 47.747 3.602 -6.020 1.00 18.95 C ATOM 1384 CD PRO A 93 48.827 2.690 -5.460 1.00 18.76 C ATOM 1385 HA PRO A 93 46.583 2.652 -3.064 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.182 1.990 -6.216 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.669 3.266 -5.076 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.182 4.490 -6.478 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.133 3.080 -6.754 1.00 0.00 H ATOM 1390 HB2 PRO A 93 45.980 4.369 -5.076 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.485 4.666 -4.175 1.00 0.00 H ATOM 1392 N ASN A 94 45.905 0.667 -5.298 1.00 19.81 N ATOM 1393 CA ASN A 94 44.849 -0.165 -5.861 1.00 20.85 C ATOM 1394 C ASN A 94 44.337 -1.117 -4.790 1.00 19.78 C ATOM 1395 O ASN A 94 44.529 -2.330 -4.871 1.00 19.68 O ATOM 1396 CB ASN A 94 45.382 -0.958 -7.055 1.00 23.85 C ATOM 1397 CG ASN A 94 46.037 -0.071 -8.094 1.00 27.09 C ATOM 1398 OD1 ASN A 94 47.108 0.491 -7.863 1.00 30.38 O ATOM 1399 ND2 ASN A 94 45.391 0.067 -9.244 1.00 28.99 N ATOM 1400 HA ASN A 94 44.033 0.471 -6.204 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.117 -1.679 -6.697 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.552 -1.489 -7.521 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.488 -0.427 -9.396 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.787 0.669 -9.994 1.00 0.00 H ATOM 1405 H ASN A 94 46.895 0.359 -5.379 1.00 0.00 H ATOM 1406 N CYS A 95 43.680 -0.554 -3.784 1.00 18.73 N ATOM 1407 CA CYS A 95 43.152 -1.343 -2.683 1.00 18.75 C ATOM 1408 C CYS A 95 42.028 -2.272 -3.124 1.00 18.68 C ATOM 1409 O CYS A 95 41.047 -1.839 -3.732 1.00 20.00 O ATOM 1410 CB CYS A 95 42.663 -0.413 -1.577 1.00 18.01 C ATOM 1411 SG CYS A 95 43.937 0.744 -0.976 1.00 16.87 S ATOM 1412 HA CYS A 95 43.959 -1.973 -2.309 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.328 -1.022 -0.738 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.824 0.167 -1.961 1.00 0.00 H ATOM 1415 H CYS A 95 43.539 0.476 -3.783 1.00 0.00 H ATOM 1416 N ALA A 96 42.185 -3.554 -2.814 1.00 18.92 N ATOM 1417 CA ALA A 96 41.195 -4.560 -3.175 1.00 18.33 C ATOM 1418 C ALA A 96 40.602 -5.192 -1.922 1.00 16.93 C ATOM 1419 O ALA A 96 41.323 -5.536 -0.981 1.00 14.56 O ATOM 1420 CB ALA A 96 41.832 -5.630 -4.052 1.00 20.10 C ATOM 1421 HA ALA A 96 40.394 -4.077 -3.734 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.222 -5.169 -4.960 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.646 -6.108 -3.507 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.082 -6.376 -4.315 1.00 0.00 H ATOM 1425 H ALA A 96 43.039 -3.848 -2.299 1.00 0.00 H ATOM 1426 N TYR A 97 39.283 -5.347 -1.922 1.00 18.09 N ATOM 1427 CA TYR A 97 38.581 -5.919 -0.784 1.00 18.25 C ATOM 1428 C TYR A 97 37.614 -7.030 -1.159 1.00 19.70 C ATOM 1429 O TYR A 97 37.160 -7.131 -2.299 1.00 18.86 O ATOM 1430 CB TYR A 97 37.786 -4.838 -0.045 1.00 17.37 C ATOM 1431 CG TYR A 97 38.624 -3.722 0.519 1.00 15.18 C ATOM 1432 CD1 TYR A 97 39.095 -2.695 -0.296 1.00 15.31 C ATOM 1433 CD2 TYR A 97 38.969 -3.705 1.870 1.00 14.67 C ATOM 1434 CE1 TYR A 97 39.895 -1.676 0.221 1.00 15.36 C ATOM 1435 CE2 TYR A 97 39.766 -2.694 2.395 1.00 15.64 C ATOM 1436 CZ TYR A 97 40.226 -1.683 1.566 1.00 15.78 C ATOM 1437 OH TYR A 97 41.020 -0.683 2.084 1.00 15.60 O ATOM 1438 HA TYR A 97 39.359 -6.345 -0.151 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.251 -5.312 0.778 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.068 -4.406 -0.743 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.608 -4.498 2.525 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.028 -2.696 3.453 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.257 -0.880 -0.429 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.834 -2.688 -1.354 1.00 0.00 H ATOM 1445 HH TYR A 97 40.525 -0.206 2.796 1.00 0.00 H ATOM 1446 H TYR A 97 38.738 -5.052 -2.757 1.00 0.00 H ATOM 1447 N LYS A 98 37.303 -7.852 -0.165 1.00 22.23 N ATOM 1448 CA LYS A 98 36.358 -8.948 -0.310 1.00 24.72 C ATOM 1449 C LYS A 98 35.066 -8.445 0.329 1.00 24.67 C ATOM 1450 O LYS A 98 35.065 -8.041 1.492 1.00 25.63 O ATOM 1451 CB LYS A 98 36.869 -10.183 0.434 1.00 26.86 C ATOM 1452 CG LYS A 98 35.894 -11.348 0.459 1.00 30.27 C ATOM 1453 CD LYS A 98 36.527 -12.590 1.077 1.00 32.46 C ATOM 1454 CE LYS A 98 37.026 -12.328 2.493 1.00 33.68 C ATOM 1455 NZ LYS A 98 35.937 -11.867 3.397 1.00 34.79 N ATOM 1456 HA LYS A 98 36.215 -9.234 -1.352 1.00 0.00 H ATOM 1457 HB2 LYS A 98 37.787 -10.517 -0.049 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.085 -9.896 1.463 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.019 -11.066 1.045 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.588 -11.576 -0.562 1.00 0.00 H ATOM 1461 HD2 LYS A 98 35.784 -13.387 1.107 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.368 -12.902 0.458 1.00 0.00 H ATOM 1463 HE2 LYS A 98 37.800 -11.562 2.456 1.00 0.00 H ATOM 1464 HE3 LYS A 98 37.448 -13.250 2.893 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 35.533 -10.983 3.028 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 35.196 -12.595 3.445 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 36.324 -11.702 4.348 1.00 0.00 H ATOM 1468 H LYS A 98 37.756 -7.706 0.760 1.00 0.00 H ATOM 1469 N THR A 99 33.978 -8.447 -0.435 1.00 24.35 N ATOM 1470 CA THR A 99 32.692 -7.977 0.063 1.00 22.98 C ATOM 1471 C THR A 99 31.869 -9.096 0.687 1.00 24.20 C ATOM 1472 O THR A 99 31.415 -10.008 -0.006 1.00 23.96 O ATOM 1473 CB THR A 99 31.867 -7.330 -1.069 1.00 23.16 C ATOM 1474 OG1 THR A 99 32.565 -6.183 -1.571 1.00 21.99 O ATOM 1475 CG2 THR A 99 30.499 -6.901 -0.561 1.00 20.54 C ATOM 1476 HA THR A 99 32.915 -7.239 0.833 1.00 0.00 H ATOM 1477 HB THR A 99 31.732 -8.064 -1.863 1.00 0.00 H ATOM 1478 HG1 THR A 99 33.447 -6.463 -1.922 1.00 0.00 H ATOM 1479 HG23 THR A 99 29.966 -7.771 -0.178 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.622 -6.169 0.237 1.00 0.00 H ATOM 1481 HG22 THR A 99 29.932 -6.456 -1.379 1.00 0.00 H ATOM 1482 H THR A 99 34.047 -8.793 -1.413 1.00 0.00 H ATOM 1483 N THR A 100 31.677 -9.019 2.000 1.00 24.37 N ATOM 1484 CA THR A 100 30.906 -10.023 2.719 1.00 24.74 C ATOM 1485 C THR A 100 29.685 -9.399 3.382 1.00 22.84 C ATOM 1486 O THR A 100 29.782 -8.369 4.050 1.00 23.46 O ATOM 1487 CB THR A 100 31.753 -10.712 3.801 1.00 25.18 C ATOM 1488 OG1 THR A 100 32.885 -11.344 3.191 1.00 29.48 O ATOM 1489 CG2 THR A 100 30.928 -11.763 4.530 1.00 27.79 C ATOM 1490 HA THR A 100 30.589 -10.764 1.985 1.00 0.00 H ATOM 1491 HB THR A 100 32.086 -9.960 4.517 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.432 -10.662 2.727 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.065 -11.287 4.996 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.589 -12.515 3.818 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.541 -12.237 5.297 1.00 0.00 H ATOM 1496 H THR A 100 32.088 -8.222 2.527 1.00 0.00 H ATOM 1497 N GLN A 101 28.539 -10.036 3.190 1.00 20.19 N ATOM 1498 CA GLN A 101 27.282 -9.565 3.754 1.00 17.72 C ATOM 1499 C GLN A 101 26.887 -10.446 4.938 1.00 15.88 C ATOM 1500 O GLN A 101 27.166 -11.642 4.950 1.00 15.13 O ATOM 1501 CB GLN A 101 26.193 -9.608 2.680 1.00 17.60 C ATOM 1502 CG GLN A 101 24.790 -9.351 3.194 1.00 19.62 C ATOM 1503 CD GLN A 101 24.606 -7.948 3.729 1.00 19.47 C ATOM 1504 OE1 GLN A 101 23.679 -7.682 4.501 1.00 18.81 O ATOM 1505 NE2 GLN A 101 25.480 -7.036 3.312 1.00 16.64 N ATOM 1506 HA GLN A 101 27.400 -8.539 4.101 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.425 -8.852 1.930 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.210 -10.595 2.217 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.086 -9.507 2.377 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.578 -10.059 3.995 1.00 0.00 H ATOM 1511 HE22 GLN A 101 26.244 -7.308 2.661 1.00 0.00 H ATOM 1512 HE21 GLN A 101 25.399 -6.051 3.637 1.00 0.00 H ATOM 1513 H GLN A 101 28.537 -10.903 2.616 1.00 0.00 H ATOM 1514 N ALA A 102 26.239 -9.853 5.934 1.00 14.19 N ATOM 1515 CA ALA A 102 25.813 -10.609 7.103 1.00 13.69 C ATOM 1516 C ALA A 102 24.746 -9.859 7.885 1.00 11.90 C ATOM 1517 O ALA A 102 24.506 -8.677 7.655 1.00 11.64 O ATOM 1518 CB ALA A 102 27.015 -10.899 8.007 1.00 15.71 C ATOM 1519 HA ALA A 102 25.384 -11.550 6.758 1.00 0.00 H ATOM 1520 HB1 ALA A 102 27.753 -11.480 7.453 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.460 -9.958 8.331 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.685 -11.465 8.878 1.00 0.00 H ATOM 1523 H ALA A 102 26.033 -8.835 5.878 1.00 0.00 H ATOM 1524 N ASN A 103 24.100 -10.567 8.801 1.00 12.09 N ATOM 1525 CA ASN A 103 23.075 -9.991 9.661 1.00 11.23 C ATOM 1526 C ASN A 103 23.520 -10.305 11.080 1.00 11.25 C ATOM 1527 O ASN A 103 23.384 -11.437 11.545 1.00 12.31 O ATOM 1528 CB ASN A 103 21.717 -10.634 9.377 1.00 12.55 C ATOM 1529 CG ASN A 103 21.168 -10.245 8.024 1.00 15.21 C ATOM 1530 OD1 ASN A 103 20.628 -9.153 7.851 1.00 18.24 O ATOM 1531 ND2 ASN A 103 21.318 -11.132 7.051 1.00 16.98 N ATOM 1532 HA ASN A 103 22.961 -8.920 9.496 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.828 -11.718 9.412 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.012 -10.318 10.146 1.00 0.00 H ATOM 1535 HD22 ASN A 103 21.781 -12.043 7.245 1.00 0.00 H ATOM 1536 HD21 ASN A 103 20.973 -10.917 6.094 1.00 0.00 H ATOM 1537 H ASN A 103 24.335 -11.574 8.910 1.00 0.00 H ATOM 1538 N LYS A 104 24.066 -9.303 11.759 1.00 10.27 N ATOM 1539 CA LYS A 104 24.569 -9.490 13.113 1.00 9.88 C ATOM 1540 C LYS A 104 24.294 -8.291 14.009 1.00 9.49 C ATOM 1541 O LYS A 104 23.850 -7.239 13.553 1.00 8.62 O ATOM 1542 CB LYS A 104 26.084 -9.733 13.072 1.00 13.16 C ATOM 1543 CG LYS A 104 26.516 -10.902 12.191 1.00 14.89 C ATOM 1544 CD LYS A 104 28.032 -11.052 12.139 1.00 18.56 C ATOM 1545 CE LYS A 104 28.614 -11.423 13.493 1.00 20.37 C ATOM 1546 NZ LYS A 104 30.092 -11.623 13.442 1.00 24.58 N ATOM 1547 HA LYS A 104 24.046 -10.350 13.530 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.564 -8.829 12.697 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.425 -9.929 14.089 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.085 -11.821 12.589 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.144 -10.737 11.180 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.284 -11.833 11.421 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.469 -10.107 11.815 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.147 -12.347 13.834 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.393 -10.624 14.200 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.314 -12.390 12.776 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.549 -10.744 13.126 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.440 -11.874 14.390 1.00 0.00 H ATOM 1559 H LYS A 104 24.136 -8.365 11.315 1.00 0.00 H ATOM 1560 N HIS A 105 24.531 -8.467 15.297 1.00 9.22 N ATOM 1561 CA HIS A 105 24.420 -7.431 16.268 1.00 10.16 C ATOM 1562 C HIS A 105 25.665 -6.576 16.181 1.00 10.13 C ATOM 1563 O HIS A 105 26.765 -7.130 16.205 1.00 12.00 O ATOM 1564 CB HIS A 105 24.309 -8.081 17.671 1.00 9.50 C ATOM 1565 CG HIS A 105 23.041 -8.909 17.810 1.00 11.01 C ATOM 1566 ND1 HIS A 105 23.003 -10.294 17.807 1.00 12.62 N ATOM 1567 CD2 HIS A 105 21.767 -8.458 17.951 1.00 12.88 C ATOM 1568 CE1 HIS A 105 21.749 -10.662 17.947 1.00 12.81 C ATOM 1569 NE2 HIS A 105 20.974 -9.574 18.031 1.00 14.76 N ATOM 1570 HA HIS A 105 23.539 -6.813 16.092 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.172 -8.727 17.830 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.302 -7.294 18.425 1.00 0.00 H ATOM 1573 HD2 HIS A 105 21.441 -7.419 17.992 1.00 0.00 H ATOM 1574 HE1 HIS A 105 21.395 -11.692 17.988 1.00 0.00 H ATOM 1575 H HIS A 105 24.814 -9.414 15.619 1.00 0.00 H ATOM 1576 N ILE A 106 25.534 -5.262 16.065 1.00 8.88 N ATOM 1577 CA ILE A 106 26.722 -4.429 15.979 1.00 7.23 C ATOM 1578 C ILE A 106 27.119 -3.892 17.344 1.00 6.45 C ATOM 1579 O ILE A 106 26.284 -3.748 18.237 1.00 6.41 O ATOM 1580 CB ILE A 106 26.516 -3.228 15.022 1.00 7.17 C ATOM 1581 CG1 ILE A 106 25.425 -2.300 15.565 1.00 8.35 C ATOM 1582 CG2 ILE A 106 26.155 -3.732 13.628 1.00 7.79 C ATOM 1583 CD1 ILE A 106 25.296 -1.002 14.804 1.00 10.89 C ATOM 1584 HA ILE A 106 27.514 -5.068 15.588 1.00 0.00 H ATOM 1585 HB ILE A 106 27.444 -2.660 14.956 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.471 -2.825 15.515 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.657 -2.068 16.605 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.239 -0.458 14.854 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.052 -1.215 13.763 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.504 -0.399 15.248 1.00 0.00 H ATOM 1591 HG21 ILE A 106 26.962 -4.360 13.250 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.234 -4.313 13.680 1.00 0.00 H ATOM 1593 HG23 ILE A 106 26.012 -2.882 12.961 1.00 0.00 H ATOM 1594 H ILE A 106 24.588 -4.830 16.036 1.00 0.00 H ATOM 1595 N ILE A 107 28.408 -3.616 17.502 1.00 5.64 N ATOM 1596 CA ILE A 107 28.931 -3.055 18.740 1.00 6.63 C ATOM 1597 C ILE A 107 29.665 -1.775 18.367 1.00 6.96 C ATOM 1598 O ILE A 107 30.637 -1.805 17.606 1.00 7.36 O ATOM 1599 CB ILE A 107 29.906 -4.028 19.440 1.00 6.76 C ATOM 1600 CG1 ILE A 107 29.160 -5.308 19.826 1.00 7.45 C ATOM 1601 CG2 ILE A 107 30.497 -3.372 20.688 1.00 8.16 C ATOM 1602 CD1 ILE A 107 30.036 -6.361 20.474 1.00 8.90 C ATOM 1603 HA ILE A 107 28.114 -2.867 19.436 1.00 0.00 H ATOM 1604 HB ILE A 107 30.718 -4.275 18.757 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.366 -5.045 20.525 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.721 -5.735 18.924 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.830 -6.646 19.784 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.474 -5.956 21.386 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.432 -7.235 20.717 1.00 0.00 H ATOM 1610 HG21 ILE A 107 31.036 -2.469 20.402 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.693 -3.114 21.377 1.00 0.00 H ATOM 1612 HG23 ILE A 107 31.182 -4.067 21.172 1.00 0.00 H ATOM 1613 H ILE A 107 29.064 -3.806 16.718 1.00 0.00 H ATOM 1614 N VAL A 108 29.185 -0.650 18.884 1.00 5.95 N ATOM 1615 CA VAL A 108 29.806 0.637 18.599 1.00 6.89 C ATOM 1616 C VAL A 108 30.119 1.374 19.897 1.00 5.12 C ATOM 1617 O VAL A 108 29.532 1.087 20.938 1.00 6.37 O ATOM 1618 CB VAL A 108 28.880 1.543 17.741 1.00 6.01 C ATOM 1619 CG1 VAL A 108 28.558 0.858 16.420 1.00 5.89 C ATOM 1620 CG2 VAL A 108 27.585 1.863 18.502 1.00 5.50 C ATOM 1621 HA VAL A 108 30.722 0.432 18.045 1.00 0.00 H ATOM 1622 HB VAL A 108 29.401 2.479 17.537 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.483 0.671 15.874 1.00 0.00 H ATOM 1624 HG12 VAL A 108 28.053 -0.088 16.616 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.909 1.502 15.827 1.00 0.00 H ATOM 1626 HG21 VAL A 108 27.061 0.935 18.730 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.829 2.382 19.429 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.950 2.498 17.885 1.00 0.00 H ATOM 1629 H VAL A 108 28.351 -0.688 19.504 1.00 0.00 H ATOM 1630 N ALA A 109 31.065 2.304 19.830 1.00 5.75 N ATOM 1631 CA ALA A 109 31.431 3.122 20.983 1.00 6.20 C ATOM 1632 C ALA A 109 30.712 4.451 20.770 1.00 7.69 C ATOM 1633 O ALA A 109 30.647 4.942 19.644 1.00 7.27 O ATOM 1634 CB ALA A 109 32.946 3.340 21.020 1.00 5.49 C ATOM 1635 HA ALA A 109 31.152 2.650 21.925 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.449 2.376 21.093 1.00 0.00 H ATOM 1637 HB2 ALA A 109 33.261 3.848 20.108 1.00 0.00 H ATOM 1638 HB3 ALA A 109 33.203 3.951 21.885 1.00 0.00 H ATOM 1639 H ALA A 109 31.561 2.454 18.928 1.00 0.00 H ATOM 1640 N CYS A 110 30.167 5.027 21.840 1.00 6.27 N ATOM 1641 CA CYS A 110 29.451 6.297 21.729 1.00 6.77 C ATOM 1642 C CYS A 110 30.042 7.346 22.653 1.00 5.66 C ATOM 1643 O CYS A 110 30.539 7.028 23.734 1.00 5.52 O ATOM 1644 CB CYS A 110 27.974 6.108 22.073 1.00 7.24 C ATOM 1645 SG CYS A 110 27.123 4.844 21.085 1.00 7.61 S ATOM 1646 HA CYS A 110 29.550 6.638 20.698 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.465 7.059 21.920 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.903 5.824 23.123 1.00 0.00 H ATOM 1649 H CYS A 110 30.252 4.566 22.769 1.00 0.00 H ATOM 1650 N GLU A 111 29.979 8.599 22.215 1.00 7.59 N ATOM 1651 CA GLU A 111 30.500 9.716 22.997 1.00 6.89 C ATOM 1652 C GLU A 111 29.769 10.993 22.623 1.00 8.12 C ATOM 1653 O GLU A 111 29.091 11.058 21.594 1.00 6.91 O ATOM 1654 CB GLU A 111 31.988 9.957 22.711 1.00 9.27 C ATOM 1655 CG GLU A 111 32.941 8.824 23.024 1.00 10.09 C ATOM 1656 CD GLU A 111 34.395 9.261 22.910 1.00 12.82 C ATOM 1657 OE1 GLU A 111 34.743 9.947 21.924 1.00 14.48 O ATOM 1658 OE2 GLU A 111 35.192 8.921 23.806 1.00 16.82 O ATOM 1659 HA GLU A 111 30.357 9.463 24.048 1.00 0.00 H ATOM 1660 HB2 GLU A 111 32.086 10.186 21.650 1.00 0.00 H ATOM 1661 HB3 GLU A 111 32.300 10.821 23.298 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.755 8.477 24.040 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.762 8.008 22.324 1.00 0.00 H ATOM 1664 H GLU A 111 29.546 8.789 21.289 1.00 0.00 H ATOM 1665 N GLY A 112 29.927 12.000 23.477 1.00 7.65 N ATOM 1666 CA GLY A 112 29.357 13.312 23.240 1.00 9.17 C ATOM 1667 C GLY A 112 27.930 13.615 23.629 1.00 9.26 C ATOM 1668 O GLY A 112 27.224 12.813 24.245 1.00 9.86 O ATOM 1669 HA3 GLY A 112 29.433 13.496 22.168 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.984 14.025 23.775 1.00 0.00 H ATOM 1671 H GLY A 112 30.478 11.841 24.344 1.00 0.00 H ATOM 1672 N ASN A 113 27.526 14.829 23.271 1.00 12.11 N ATOM 1673 CA ASN A 113 26.178 15.316 23.505 1.00 13.02 C ATOM 1674 C ASN A 113 25.801 16.074 22.241 1.00 13.97 C ATOM 1675 O ASN A 113 26.317 17.161 21.982 1.00 15.77 O ATOM 1676 CB ASN A 113 26.125 16.257 24.709 1.00 15.40 C ATOM 1677 CG ASN A 113 24.767 16.908 24.867 1.00 17.19 C ATOM 1678 OD1 ASN A 113 23.737 16.256 24.700 1.00 17.65 O ATOM 1679 ND2 ASN A 113 24.757 18.197 25.191 1.00 16.37 N ATOM 1680 HA ASN A 113 25.496 14.494 23.721 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.348 15.687 25.611 1.00 0.00 H ATOM 1682 HB3 ASN A 113 26.875 17.037 24.579 1.00 0.00 H ATOM 1683 HD22 ASN A 113 25.654 18.707 25.322 1.00 0.00 H ATOM 1684 HD21 ASN A 113 23.852 18.695 25.314 1.00 0.00 H ATOM 1685 H ASN A 113 28.207 15.460 22.801 1.00 0.00 H ATOM 1686 N PRO A 114 24.896 15.507 21.432 1.00 14.18 N ATOM 1687 CA PRO A 114 24.224 14.222 21.647 1.00 12.35 C ATOM 1688 C PRO A 114 25.148 13.005 21.704 1.00 10.81 C ATOM 1689 O PRO A 114 26.220 12.987 21.094 1.00 10.36 O ATOM 1690 CB PRO A 114 23.248 14.151 20.477 1.00 13.60 C ATOM 1691 CG PRO A 114 24.006 14.847 19.388 1.00 14.42 C ATOM 1692 CD PRO A 114 24.559 16.054 20.105 1.00 14.46 C ATOM 1693 HA PRO A 114 23.751 14.184 22.628 1.00 0.00 H ATOM 1694 HD3 PRO A 114 25.445 16.441 19.601 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.812 16.844 20.182 1.00 0.00 H ATOM 1696 HG3 PRO A 114 23.346 15.140 18.572 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.806 14.217 18.998 1.00 0.00 H ATOM 1698 HB2 PRO A 114 23.028 13.118 20.208 1.00 0.00 H ATOM 1699 HB3 PRO A 114 22.318 14.671 20.706 1.00 0.00 H ATOM 1700 N TYR A 115 24.715 11.995 22.451 1.00 9.05 N ATOM 1701 CA TYR A 115 25.468 10.752 22.611 1.00 8.47 C ATOM 1702 C TYR A 115 25.276 9.925 21.341 1.00 8.54 C ATOM 1703 O TYR A 115 24.218 9.325 21.144 1.00 10.30 O ATOM 1704 CB TYR A 115 24.925 9.993 23.822 1.00 8.46 C ATOM 1705 CG TYR A 115 25.886 8.997 24.422 1.00 5.82 C ATOM 1706 CD1 TYR A 115 27.160 9.395 24.834 1.00 8.15 C ATOM 1707 CD2 TYR A 115 25.510 7.670 24.629 1.00 7.92 C ATOM 1708 CE1 TYR A 115 28.034 8.503 25.439 1.00 6.00 C ATOM 1709 CE2 TYR A 115 26.377 6.766 25.236 1.00 4.53 C ATOM 1710 CZ TYR A 115 27.638 7.191 25.641 1.00 8.44 C ATOM 1711 OH TYR A 115 28.504 6.319 26.265 1.00 7.74 O ATOM 1712 HA TYR A 115 26.528 10.952 22.769 1.00 0.00 H ATOM 1713 HB3 TYR A 115 24.028 9.457 23.513 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.665 10.721 24.591 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.523 7.336 24.311 1.00 0.00 H ATOM 1716 HE2 TYR A 115 26.070 5.732 25.393 1.00 0.00 H ATOM 1717 HE1 TYR A 115 29.025 8.832 25.753 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.474 10.427 24.677 1.00 0.00 H ATOM 1719 HH TYR A 115 28.089 5.985 27.100 1.00 0.00 H ATOM 1720 H TYR A 115 23.803 12.093 22.942 1.00 0.00 H ATOM 1721 N VAL A 116 26.299 9.891 20.488 1.00 7.70 N ATOM 1722 CA VAL A 116 26.219 9.177 19.211 1.00 7.69 C ATOM 1723 C VAL A 116 27.416 8.265 18.934 1.00 6.92 C ATOM 1724 O VAL A 116 28.418 8.314 19.642 1.00 7.06 O ATOM 1725 CB VAL A 116 26.092 10.186 18.039 1.00 7.59 C ATOM 1726 CG1 VAL A 116 24.773 10.946 18.143 1.00 6.62 C ATOM 1727 CG2 VAL A 116 27.263 11.158 18.058 1.00 8.23 C ATOM 1728 HA VAL A 116 25.335 8.543 19.287 1.00 0.00 H ATOM 1729 HB VAL A 116 26.107 9.638 17.097 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.944 10.240 18.100 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.741 11.488 19.088 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.695 11.651 17.315 1.00 0.00 H ATOM 1733 HG21 VAL A 116 27.266 11.703 19.002 1.00 0.00 H ATOM 1734 HG22 VAL A 116 28.196 10.603 17.954 1.00 0.00 H ATOM 1735 HG23 VAL A 116 27.163 11.861 17.231 1.00 0.00 H ATOM 1736 H VAL A 116 27.180 10.386 20.736 1.00 0.00 H ATOM 1737 N PRO A 117 27.322 7.413 17.896 1.00 7.83 N ATOM 1738 CA PRO A 117 28.423 6.503 17.557 1.00 7.51 C ATOM 1739 C PRO A 117 29.658 7.224 17.019 1.00 8.61 C ATOM 1740 O PRO A 117 29.544 8.139 16.197 1.00 10.31 O ATOM 1741 CB PRO A 117 27.803 5.588 16.500 1.00 5.81 C ATOM 1742 CG PRO A 117 26.345 5.597 16.849 1.00 6.69 C ATOM 1743 CD PRO A 117 26.107 7.050 17.146 1.00 7.80 C ATOM 1744 HA PRO A 117 28.797 5.971 18.432 1.00 0.00 H ATOM 1745 HD3 PRO A 117 26.018 7.633 16.229 1.00 0.00 H ATOM 1746 HD2 PRO A 117 25.211 7.189 17.751 1.00 0.00 H ATOM 1747 HG3 PRO A 117 26.142 4.975 17.721 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.734 5.258 16.012 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.967 5.982 15.497 1.00 0.00 H ATOM 1750 HB3 PRO A 117 28.214 4.581 16.565 1.00 0.00 H ATOM 1751 N VAL A 118 30.838 6.810 17.477 1.00 7.47 N ATOM 1752 CA VAL A 118 32.082 7.419 17.018 1.00 7.82 C ATOM 1753 C VAL A 118 33.133 6.374 16.654 1.00 8.26 C ATOM 1754 O VAL A 118 34.247 6.716 16.255 1.00 9.62 O ATOM 1755 CB VAL A 118 32.686 8.371 18.089 1.00 7.13 C ATOM 1756 CG1 VAL A 118 31.725 9.519 18.377 1.00 7.36 C ATOM 1757 CG2 VAL A 118 32.991 7.599 19.368 1.00 7.56 C ATOM 1758 HA VAL A 118 31.820 7.990 16.127 1.00 0.00 H ATOM 1759 HB VAL A 118 33.617 8.787 17.704 1.00 0.00 H ATOM 1760 HG11 VAL A 118 31.547 10.081 17.460 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.782 9.117 18.748 1.00 0.00 H ATOM 1762 HG13 VAL A 118 32.162 10.177 19.128 1.00 0.00 H ATOM 1763 HG21 VAL A 118 32.070 7.163 19.756 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.707 6.806 19.150 1.00 0.00 H ATOM 1765 HG23 VAL A 118 33.413 8.278 20.109 1.00 0.00 H ATOM 1766 H VAL A 118 30.873 6.039 18.174 1.00 0.00 H ATOM 1767 N HIS A 119 32.774 5.099 16.779 1.00 6.26 N ATOM 1768 CA HIS A 119 33.697 4.012 16.481 1.00 7.29 C ATOM 1769 C HIS A 119 32.916 2.714 16.325 1.00 6.07 C ATOM 1770 O HIS A 119 31.973 2.470 17.076 1.00 5.85 O ATOM 1771 CB HIS A 119 34.707 3.889 17.635 1.00 8.29 C ATOM 1772 CG HIS A 119 35.368 2.548 17.746 1.00 8.50 C ATOM 1773 ND1 HIS A 119 36.383 2.142 16.908 1.00 10.19 N ATOM 1774 CD2 HIS A 119 35.182 1.536 18.627 1.00 10.23 C ATOM 1775 CE1 HIS A 119 36.799 0.941 17.270 1.00 11.71 C ATOM 1776 NE2 HIS A 119 36.087 0.550 18.312 1.00 10.26 N ATOM 1777 HA HIS A 119 34.231 4.215 15.553 1.00 0.00 H ATOM 1778 HB2 HIS A 119 35.483 4.640 17.489 1.00 0.00 H ATOM 1779 HB3 HIS A 119 34.182 4.088 18.569 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.451 1.508 19.435 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.594 0.370 16.791 1.00 0.00 H ATOM 1782 H HIS A 119 31.810 4.873 17.097 1.00 0.00 H ATOM 1783 N PHE A 120 33.293 1.901 15.339 1.00 6.27 N ATOM 1784 CA PHE A 120 32.649 0.606 15.123 1.00 5.67 C ATOM 1785 C PHE A 120 33.633 -0.396 15.720 1.00 5.77 C ATOM 1786 O PHE A 120 34.747 -0.551 15.219 1.00 7.04 O ATOM 1787 CB PHE A 120 32.459 0.325 13.630 1.00 7.12 C ATOM 1788 CG PHE A 120 31.552 -0.846 13.352 1.00 7.53 C ATOM 1789 CD1 PHE A 120 30.204 -0.647 13.059 1.00 6.85 C ATOM 1790 CD2 PHE A 120 32.037 -2.147 13.430 1.00 7.70 C ATOM 1791 CE1 PHE A 120 29.352 -1.735 12.848 1.00 7.62 C ATOM 1792 CE2 PHE A 120 31.197 -3.242 13.220 1.00 7.91 C ATOM 1793 CZ PHE A 120 29.853 -3.036 12.930 1.00 6.33 C ATOM 1794 HA PHE A 120 31.657 0.559 15.573 1.00 0.00 H ATOM 1795 HB2 PHE A 120 32.031 1.212 13.163 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.435 0.119 13.190 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.090 -2.314 13.659 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.594 -4.255 13.283 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.192 -3.887 12.767 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.299 -1.568 12.620 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.810 0.367 12.994 1.00 0.00 H ATOM 1802 H PHE A 120 34.065 2.195 14.707 1.00 0.00 H ATOM 1803 N ASP A 121 33.219 -1.076 16.782 1.00 5.09 N ATOM 1804 CA ASP A 121 34.100 -2.004 17.487 1.00 6.10 C ATOM 1805 C ASP A 121 34.076 -3.447 17.011 1.00 7.39 C ATOM 1806 O ASP A 121 35.124 -4.095 16.939 1.00 6.43 O ATOM 1807 CB ASP A 121 33.776 -1.951 18.983 1.00 6.92 C ATOM 1808 CG ASP A 121 34.956 -2.329 19.852 1.00 9.35 C ATOM 1809 OD1 ASP A 121 36.069 -1.808 19.609 1.00 8.83 O ATOM 1810 OD2 ASP A 121 34.771 -3.133 20.788 1.00 8.49 O ATOM 1811 HA ASP A 121 35.112 -1.663 17.267 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.467 -0.937 19.237 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.957 -2.641 19.187 1.00 0.00 H ATOM 1814 H ASP A 121 32.244 -0.945 17.120 1.00 0.00 H ATOM 1815 N ALA A 122 32.889 -3.955 16.701 1.00 5.66 N ATOM 1816 CA ALA A 122 32.757 -5.337 16.255 1.00 7.85 C ATOM 1817 C ALA A 122 31.308 -5.683 15.966 1.00 8.81 C ATOM 1818 O ALA A 122 30.414 -4.864 16.148 1.00 8.02 O ATOM 1819 CB ALA A 122 33.289 -6.274 17.333 1.00 9.68 C ATOM 1820 HA ALA A 122 33.332 -5.454 15.337 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.340 -6.051 17.520 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.717 -6.132 18.250 1.00 0.00 H ATOM 1823 HB3 ALA A 122 33.189 -7.306 16.997 1.00 0.00 H ATOM 1824 H ALA A 122 32.041 -3.358 16.777 1.00 0.00 H ATOM 1825 N SER A 123 31.090 -6.910 15.508 1.00 9.11 N ATOM 1826 CA SER A 123 29.747 -7.405 15.241 1.00 10.91 C ATOM 1827 C SER A 123 29.741 -8.831 15.776 1.00 12.57 C ATOM 1828 O SER A 123 30.755 -9.521 15.703 1.00 13.40 O ATOM 1829 CB SER A 123 29.441 -7.401 13.741 1.00 12.42 C ATOM 1830 OG SER A 123 30.255 -8.321 13.047 1.00 14.62 O ATOM 1831 HA SER A 123 28.989 -6.779 15.711 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.619 -6.401 13.345 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.395 -7.669 13.591 1.00 0.00 H ATOM 1834 HG SER A 123 30.033 -8.294 12.083 1.00 0.00 H ATOM 1835 H SER A 123 31.902 -7.536 15.335 1.00 0.00 H ATOM 1836 N VAL A 124 28.611 -9.268 16.321 1.00 12.22 N ATOM 1837 CA VAL A 124 28.524 -10.615 16.873 1.00 14.16 C ATOM 1838 C VAL A 124 27.193 -11.291 16.570 1.00 15.08 C ATOM 1839 O VAL A 124 26.237 -10.582 16.196 1.00 14.57 O ATOM 1840 CB VAL A 124 28.731 -10.603 18.409 1.00 14.62 C ATOM 1841 CG1 VAL A 124 30.153 -10.184 18.739 1.00 15.47 C ATOM 1842 CG2 VAL A 124 27.736 -9.659 19.062 1.00 16.27 C ATOM 1843 HA VAL A 124 29.318 -11.184 16.390 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.123 -12.526 16.728 1.00 16.73 O ATOM 1845 HB VAL A 124 28.564 -11.608 18.797 1.00 0.00 H ATOM 1846 HG11 VAL A 124 30.852 -10.888 18.288 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.337 -9.185 18.344 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.287 -10.179 19.821 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.883 -8.652 18.673 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.722 -9.991 18.839 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.891 -9.659 20.141 1.00 0.00 H ATOM 1852 H VAL A 124 27.780 -8.643 16.354 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 32.203 16.489 8.007 1.00 31.25 O HETATM 1855 O HOH 2 31.479 16.419 5.488 1.00 64.89 O HETATM 1856 O HOH 3 26.803 15.013 13.257 1.00 22.71 O HETATM 1857 O HOH 4 29.392 16.406 16.388 1.00 29.53 O HETATM 1858 O HOH 5 39.781 15.962 10.137 1.00 30.88 O HETATM 1859 O HOH 6 32.310 13.894 6.819 1.00 19.13 O HETATM 1860 O HOH 7 35.745 13.640 19.289 1.00 17.70 O HETATM 1861 O HOH 8 32.990 16.007 18.917 1.00 26.42 O HETATM 1862 O HOH 9 27.856 14.336 8.689 1.00 29.89 O HETATM 1863 O HOH 10 32.416 17.193 10.637 1.00 21.59 O HETATM 1864 O HOH 11 29.128 16.272 13.620 1.00 32.93 O HETATM 1865 O HOH 12 29.863 17.516 11.380 1.00 21.51 O HETATM 1866 O HOH 13 25.702 13.275 15.297 1.00 13.47 O HETATM 1867 O HOH 14 35.070 15.054 17.196 1.00 30.40 O HETATM 1868 O HOH 15 31.814 13.771 17.500 1.00 19.11 O HETATM 1869 O HOH 16 29.876 12.551 7.445 1.00 17.04 O HETATM 1870 O HOH 17 41.399 6.374 9.824 1.00 27.58 O HETATM 1871 O HOH 18 22.907 16.684 15.941 1.00 31.10 O HETATM 1872 O HOH 19 20.900 -3.689 -4.872 1.00 67.85 O HETATM 1873 O HOH 20 23.843 13.206 11.015 1.00 15.91 O HETATM 1874 O HOH 21 24.675 8.659 7.502 1.00 17.15 O HETATM 1875 O HOH 22 26.434 8.141 5.265 1.00 26.72 O HETATM 1876 O HOH 23 27.532 13.460 11.301 1.00 21.01 O HETATM 1877 O HOH 24 25.711 10.888 13.948 1.00 12.60 O HETATM 1878 O HOH 25 39.582 8.360 6.991 1.00 34.67 O HETATM 1879 O HOH 26 24.544 -1.452 -7.461 1.00 39.58 O HETATM 1880 O HOH 27 18.022 0.594 1.944 1.00 35.12 O HETATM 1881 O HOH 28 18.387 1.278 5.673 1.00 21.58 O HETATM 1882 O HOH 29 17.505 5.016 3.655 1.00 19.58 O HETATM 1883 O HOH 30 16.894 3.041 1.920 1.00 29.06 O HETATM 1884 O HOH 31 24.054 6.051 4.660 1.00 12.20 O HETATM 1885 O HOH 32 24.489 6.730 0.842 1.00 57.27 O HETATM 1886 O HOH 33 18.412 0.496 -1.440 1.00 42.78 O HETATM 1887 O HOH 34 14.688 7.421 10.012 1.00 29.89 O HETATM 1888 O HOH 35 17.252 -1.929 15.644 1.00 14.90 O HETATM 1889 O HOH 36 14.442 0.352 8.568 1.00 30.81 O HETATM 1890 O HOH 37 23.120 13.868 15.744 1.00 20.25 O HETATM 1891 O HOH 38 21.149 -2.672 -2.439 1.00 38.82 O HETATM 1892 O HOH 39 24.224 1.911 29.745 1.00 19.49 O HETATM 1893 O HOH 40 23.725 -7.961 -0.424 1.00 49.47 O HETATM 1894 O HOH 41 24.517 -8.850 -3.036 1.00 34.08 O HETATM 1895 O HOH 42 28.762 -9.029 26.528 1.00 17.48 O HETATM 1896 O HOH 43 30.774 -6.147 30.292 1.00 21.19 O HETATM 1897 O HOH 44 27.135 -8.553 -3.545 1.00 47.04 O HETATM 1898 O HOH 45 28.554 -3.367 -9.098 1.00 19.10 O HETATM 1899 O HOH 46 32.816 -8.439 -9.989 1.00 20.11 O HETATM 1900 O HOH 47 27.719 -9.347 -7.179 1.00 18.31 O HETATM 1901 O HOH 48 35.972 5.789 20.080 1.00 17.48 O HETATM 1902 O HOH 49 15.400 -8.878 10.297 1.00 58.30 O HETATM 1903 O HOH 50 39.225 0.273 -3.096 1.00 16.39 O HETATM 1904 O HOH 51 27.788 -1.092 -7.341 1.00 19.53 O HETATM 1905 O HOH 52 34.558 4.229 -5.853 1.00 27.71 O HETATM 1906 O HOH 53 34.143 10.341 -3.153 1.00 32.28 O HETATM 1907 O HOH 54 30.875 3.661 -4.350 1.00 23.95 O HETATM 1908 O HOH 55 30.052 6.693 -1.164 1.00 23.09 O HETATM 1909 O HOH 56 40.295 9.833 4.897 1.00 31.84 O HETATM 1910 O HOH 57 42.117 7.385 3.558 1.00 34.35 O HETATM 1911 O HOH 58 19.455 -13.202 17.185 1.00 31.40 O HETATM 1912 O HOH 59 39.694 6.637 -1.104 1.00 22.34 O HETATM 1913 O HOH 60 41.239 2.190 -3.263 1.00 26.62 O HETATM 1914 O HOH 61 43.918 4.814 -3.210 1.00 23.75 O HETATM 1915 O HOH 62 27.209 14.964 17.019 1.00 15.19 O HETATM 1916 O HOH 63 37.786 3.581 20.335 1.00 18.89 O HETATM 1917 O HOH 64 46.572 -1.791 4.280 1.00 21.79 O HETATM 1918 O HOH 65 40.755 -1.203 9.955 1.00 13.72 O HETATM 1919 O HOH 66 18.386 -3.104 5.524 1.00 26.93 O HETATM 1920 O HOH 67 17.782 -5.572 9.435 1.00 22.27 O HETATM 1921 O HOH 68 17.156 3.669 6.043 1.00 26.67 O HETATM 1922 O HOH 69 14.340 4.764 11.088 1.00 24.35 O HETATM 1923 O HOH 70 17.969 7.284 17.329 1.00 13.17 O HETATM 1924 O HOH 71 13.066 4.870 13.504 1.00 35.24 O HETATM 1925 O HOH 72 17.708 -1.779 12.803 1.00 20.43 O HETATM 1926 O HOH 73 18.100 0.411 16.883 1.00 9.32 O HETATM 1927 O HOH 74 16.816 0.661 9.780 1.00 8.53 O HETATM 1928 O HOH 75 22.004 13.116 13.093 1.00 22.54 O HETATM 1929 O HOH 76 20.671 6.621 21.594 1.00 17.71 O HETATM 1930 O HOH 77 19.063 9.802 17.056 1.00 21.89 O HETATM 1931 O HOH 78 23.111 4.424 27.037 1.00 11.03 O HETATM 1932 O HOH 79 17.202 2.371 21.513 1.00 12.97 O HETATM 1933 O HOH 80 19.045 3.554 27.575 1.00 11.51 O HETATM 1934 O HOH 81 18.783 -3.022 17.807 1.00 17.29 O HETATM 1935 O HOH 82 22.390 1.742 27.537 1.00 25.03 O HETATM 1936 O HOH 83 26.935 -9.521 28.486 1.00 21.40 O HETATM 1937 O HOH 84 24.801 -11.815 26.757 1.00 22.10 O HETATM 1938 O HOH 85 26.727 -9.073 24.744 1.00 29.14 O HETATM 1939 O HOH 86 22.073 -9.820 27.808 1.00 12.96 O HETATM 1940 O HOH 87 29.445 -3.843 30.211 1.00 24.64 O HETATM 1941 O HOH 88 28.579 2.789 30.745 1.00 35.07 O HETATM 1942 O HOH 89 26.978 -3.124 31.031 1.00 60.27 O HETATM 1943 O HOH 90 25.462 0.470 31.804 1.00 10.86 O HETATM 1944 O HOH 91 25.120 -5.266 30.025 1.00 19.54 O HETATM 1945 O HOH 92 32.271 -7.016 25.459 1.00 7.99 O HETATM 1946 O HOH 93 38.940 -4.887 15.863 1.00 31.20 O HETATM 1947 O HOH 94 41.088 -6.424 23.317 1.00 18.53 O HETATM 1948 O HOH 95 43.447 -0.226 25.542 1.00 30.83 O HETATM 1949 O HOH 96 41.320 2.389 21.578 1.00 32.91 O HETATM 1950 O HOH 97 40.958 1.270 28.433 1.00 18.89 O HETATM 1951 O HOH 98 38.130 6.690 24.539 1.00 19.72 O HETATM 1952 O HOH 99 37.993 5.121 28.881 1.00 38.19 O HETATM 1953 O HOH 100 31.062 -1.649 29.823 1.00 21.43 O HETATM 1954 O HOH 101 32.505 4.252 33.246 1.00 30.07 O HETATM 1955 O HOH 102 30.576 4.263 29.880 1.00 19.64 O HETATM 1956 O HOH 103 35.967 3.643 23.518 1.00 9.40 O HETATM 1957 O HOH 104 35.250 6.078 22.579 1.00 11.30 O HETATM 1958 O HOH 105 26.180 3.763 29.362 1.00 23.88 O HETATM 1959 O HOH 106 25.503 -11.504 22.339 1.00 19.40 O HETATM 1960 O HOH 107 22.253 -8.286 21.237 1.00 14.28 O HETATM 1961 O HOH 108 18.874 -0.667 27.043 1.00 11.12 O HETATM 1962 O HOH 109 16.455 -6.414 12.691 1.00 50.41 O HETATM 1963 O HOH 110 19.152 -8.116 10.251 1.00 19.47 O HETATM 1964 O HOH 111 16.955 -9.070 15.096 1.00 23.67 O HETATM 1965 O HOH 112 31.022 -9.717 10.921 1.00 28.24 O HETATM 1966 O HOH 113 50.896 -7.442 0.977 1.00 52.26 O HETATM 1967 O HOH 114 52.116 -0.098 -2.516 1.00 17.45 O HETATM 1968 O HOH 115 46.019 -4.473 -5.575 1.00 27.03 O HETATM 1969 O HOH 116 34.851 -5.720 -3.237 1.00 19.61 O HETATM 1970 O HOH 117 30.321 -10.329 -2.525 1.00 20.13 O HETATM 1971 O HOH 118 34.613 -9.477 3.823 1.00 29.50 O HETATM 1972 O HOH 119 24.678 -12.937 3.884 1.00 29.25 O HETATM 1973 O HOH 120 19.463 -8.665 5.463 1.00 31.87 O HETATM 1974 O HOH 121 22.965 -10.756 4.979 1.00 21.44 O HETATM 1975 O HOH 122 24.456 -13.294 8.843 1.00 26.73 O HETATM 1976 O HOH 123 21.618 -13.379 12.046 1.00 44.60 O HETATM 1977 O HOH 124 18.414 -10.820 18.179 1.00 27.52 O HETATM 1978 O HOH 125 31.506 7.849 26.305 1.00 7.26 O HETATM 1979 O HOH 126 37.731 8.431 22.877 1.00 20.60 O HETATM 1980 O HOH 127 34.305 8.247 26.297 1.00 6.97 O HETATM 1981 O HOH 128 33.716 12.156 20.296 1.00 24.38 O HETATM 1982 O HOH 129 30.140 12.705 19.338 1.00 16.74 O HETATM 1983 O HOH 130 35.916 9.864 19.535 1.00 20.98 O HETATM 1984 O HOH 131 25.647 13.220 26.635 1.00 17.84 O HETATM 1985 O HOH 132 29.366 16.104 21.117 1.00 25.71 O HETATM 1986 O HOH 133 27.911 14.528 19.629 1.00 12.86 O HETATM 1987 O HOH 134 22.375 12.674 24.152 1.00 23.03 O HETATM 1988 O HOH 135 22.598 8.432 19.226 1.00 23.05 O HETATM 1989 O HOH 136 21.440 9.151 22.339 1.00 23.31 O HETATM 1990 O HOH 137 27.794 9.094 14.290 1.00 6.85 O HETATM 1991 O HOH 138 36.378 7.582 18.218 1.00 24.23 O HETATM 1992 O HOH 139 34.798 8.177 14.089 1.00 11.21 O HETATM 1993 O HOH 140 36.329 1.716 21.479 1.00 10.98 O HETATM 1994 O HOH 141 39.551 3.157 18.377 1.00 28.42 O HETATM 1995 O HOH 142 33.222 -5.111 22.113 1.00 8.18 O HETATM 1996 O HOH 143 37.677 -0.618 21.530 1.00 9.98 O HETATM 1997 O HOH 144 38.122 -2.381 17.796 1.00 23.04 O HETATM 1998 O HOH 145 31.679 -6.557 11.693 1.00 20.70 O HETATM 1999 O HOH 146 33.099 -10.113 17.077 1.00 24.59 O HETATM 2000 O HOH 147 25.124 -13.480 18.311 1.00 30.51 O HETATM 2001 O HOH 148 33.705 -8.076 14.471 1.00 20.03 O HETATM 2002 O HOH 149 39.794 4.723 11.311 1.00 34.02 O HETATM 2003 O HOH 150 40.246 3.670 15.421 1.00 35.66 O HETATM 2004 O HOH 151 34.008 5.630 12.967 1.00 11.80 O HETATM 2005 N1 UMF A 152 36.225 -2.366 12.158 1.00 -0.16 N HETATM 2006 C2 UMF A 152 35.029 -2.555 11.421 1.00 0.33 C HETATM 2007 O2 UMF A 152 34.700 -1.798 10.587 1.00 -0.38 O HETATM 2008 N3 UMF A 152 34.327 -3.712 11.794 1.00 -0.19 N HETATM 2009 C4 UMF A 152 34.675 -4.667 12.796 1.00 0.18 C HETATM 2010 O4 UMF A 152 33.925 -5.605 12.958 1.00 -0.41 O HETATM 2011 C5 UMF A 152 35.924 -4.390 13.518 1.00 0.01 C HETATM 2012 C6 UMF A 152 36.645 -3.283 13.194 1.00 0.06 C HETATM 2013 H3 UMF A 152 37.569 -3.081 13.733 1.00 0.12 H HETATM 2014 H2 UMF A 152 36.268 -5.062 14.303 1.00 0.03 H HETATM 2015 H1 UMF A 152 33.478 -3.889 11.296 1.00 0.23 H HETATM 2016 C1 UMF A 152 37.174 -1.115 11.870 1.00 0.21 C HETATM 2017 O4 UMF A 152 38.402 -1.142 12.960 1.00 -0.34 O HETATM 2018 C4 UMF A 152 38.775 0.120 13.308 1.00 0.12 C HETATM 2019 C5 UMF A 152 40.002 -0.165 14.210 1.00 0.07 C HETATM 2020 O5 UMF A 152 39.253 -0.499 15.546 1.00 -0.39 O HETATM 2021 H4 UMF A 152 38.683 -1.247 15.410 1.00 0.21 H HETATM 2022 H5 UMF A 152 40.593 -1.018 13.845 1.00 0.06 H HETATM 2023 H6 UMF A 152 40.653 0.716 14.311 1.00 0.06 H HETATM 2024 C3 UMF A 152 37.641 1.061 13.201 1.00 0.15 C HETATM 2025 O3 UMF A 152 37.542 2.532 12.911 1.00 -0.27 O HETATM 2026 P UMF A 152 37.016 3.503 13.630 1.00 0.20 P HETATM 2027 O3P UMF A 152 35.468 3.125 13.520 1.00 -0.55 O HETATM 2028 O1P UMF A 152 37.341 3.681 15.091 1.00 -0.55 O HETATM 2029 O2P UMF A 152 37.471 4.666 12.834 1.00 -0.55 O HETATM 2030 C2 UMF A 152 36.503 0.312 12.301 1.00 0.19 C HETATM 2031 F2 UMF A 152 36.246 1.313 11.543 1.00 -0.24 F HETATM 2032 H9 UMF A 152 35.593 0.071 12.870 1.00 0.07 H HETATM 2033 H8 UMF A 152 37.266 1.039 14.235 1.00 0.07 H HETATM 2034 H7 UMF A 152 39.319 0.488 12.425 1.00 0.07 H HETATM 2035 H10 UMF A 152 37.514 -1.121 10.824 1.00 0.10 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 367 366 1248 CONECT 604 603 1411 CONECT 872 871 1645 CONECT 972 971 1070 CONECT 1070 972 1069 CONECT 1248 367 1247 CONECT 1411 604 1410 CONECT 1645 872 1644 CONECT 2005 2006 2012 2016 CONECT 2006 2005 2007 2008 CONECT 2007 2006 CONECT 2008 2006 2009 2015 CONECT 2009 2008 2010 2011 CONECT 2010 2009 CONECT 2011 2009 2012 2014 CONECT 2012 2005 2011 2013 CONECT 2013 2012 CONECT 2014 2011 CONECT 2015 2008 CONECT 2016 2005 2017 2030 2035 CONECT 2017 2016 2018 CONECT 2018 2017 2019 2024 2034 CONECT 2019 2018 2020 2022 2023 CONECT 2020 2019 2021 CONECT 2021 2020 CONECT 2022 2019 CONECT 2023 2019 CONECT 2024 2018 2025 2030 2033 CONECT 2025 2024 2026 CONECT 2026 2025 2027 2028 2029 CONECT 2027 2026 CONECT 2028 2026 CONECT 2029 2026 CONECT 2030 2016 2024 2031 2032 CONECT 2031 2030 CONECT 2032 2030 CONECT 2033 2024 CONECT 2034 2018 CONECT 2035 2016 MASTER 0 0 0 0 0 0 0 0 2034 1 43 10 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1w4q
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease a
Ligand Name
UMF
EC.Number
E.C.3.1.27.5
Resolution
1.68(Å)
Affinity (Kd/Ki/IC50)
Ki=5.5uM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
FEBS J.v272;pp.744
Ligand Properties
Formula
C
9
H
1
3
FN
2
O
8
P
Molecular Weight
327.180
Exact Mass
327.039
No. of atoms
34
No. of bonds
35
Polar Surface Area
167.83
LOGP Value
-3.08 (
Computed with XLOGP3
)
-2.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(O)(O)O)F)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C9H14FN2O8P/c10-6-7(20-21(16,17)18)4(3-13)19-8(6)12-2-1-5(14)11-9(12)15/h1-2,4,6-8,13,16-18,21H,3H2,(H,11,14,15)/t4-,6-,7-,8-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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