Browse entries in the PDBbind-CN Database
HEADER 3D6O_COMPLEX COMPND 3D6O_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 U A 1S 44 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 34.994 21.408 9.503 1.00 24.00 N ATOM 2 CA LYS A 1 35.719 20.189 9.979 1.00 23.79 C ATOM 3 C LYS A 1 34.781 19.025 10.297 1.00 23.49 C ATOM 4 O LYS A 1 33.639 19.228 10.729 1.00 23.48 O ATOM 5 CB LYS A 1 36.607 20.513 11.190 1.00 23.94 C ATOM 6 CG LYS A 1 35.873 21.141 12.368 1.00 24.55 C ATOM 7 CD LYS A 1 36.825 21.472 13.506 1.00 24.21 C ATOM 8 CE LYS A 1 36.063 21.793 14.781 1.00 25.50 C ATOM 9 NZ LYS A 1 35.187 20.662 15.210 1.00 26.42 N ATOM 10 HA LYS A 1 36.353 19.867 9.153 1.00 0.00 H ATOM 11 HB2 LYS A 1 37.067 19.586 11.532 1.00 0.00 H ATOM 12 HB3 LYS A 1 37.384 21.205 10.866 1.00 0.00 H ATOM 13 HG2 LYS A 1 35.387 22.058 12.035 1.00 0.00 H ATOM 14 HG3 LYS A 1 35.119 20.442 12.729 1.00 0.00 H ATOM 15 HD2 LYS A 1 37.476 20.617 13.686 1.00 0.00 H ATOM 16 HD3 LYS A 1 37.429 22.335 13.225 1.00 0.00 H ATOM 17 HE2 LYS A 1 35.443 22.673 14.609 1.00 0.00 H ATOM 18 HE3 LYS A 1 36.779 22.005 15.575 1.00 0.00 H ATOM 19 HZ1 LYS A 1 34.495 20.457 14.461 1.00 0.00 H ATOM 20 HZ2 LYS A 1 35.771 19.819 15.384 1.00 0.00 H ATOM 21 HZ3 LYS A 1 34.687 20.925 16.083 1.00 0.00 H ATOM 22 HN3 LYS A 1 34.332 21.726 10.240 1.00 0.00 H ATOM 23 HN2 LYS A 1 34.466 21.180 8.636 1.00 0.00 H ATOM 24 HN1 LYS A 1 35.681 22.163 9.303 1.00 0.00 H ATOM 25 N GLU A 2 35.291 17.812 10.080 1.00 22.75 N ATOM 26 CA GLU A 2 34.548 16.573 10.283 1.00 21.91 C ATOM 27 C GLU A 2 34.515 16.165 11.755 1.00 21.42 C ATOM 28 O GLU A 2 35.555 15.895 12.365 1.00 21.35 O ATOM 29 CB GLU A 2 35.155 15.450 9.431 1.00 22.09 C ATOM 30 CG GLU A 2 34.395 14.142 9.491 1.00 21.80 C ATOM 31 CD GLU A 2 34.947 13.075 8.555 1.00 21.66 C ATOM 32 OE1 GLU A 2 36.132 12.697 8.688 1.00 20.52 O ATOM 33 OE2 GLU A 2 34.177 12.592 7.701 1.00 22.03 O ATOM 34 HA GLU A 2 33.519 16.747 9.969 1.00 0.00 H ATOM 35 HB2 GLU A 2 35.180 15.784 8.394 1.00 0.00 H ATOM 36 HB3 GLU A 2 36.173 15.270 9.778 1.00 0.00 H ATOM 37 HG2 GLU A 2 34.440 13.763 10.512 1.00 0.00 H ATOM 38 HG3 GLU A 2 33.356 14.334 9.222 1.00 0.00 H ATOM 39 H GLU A 2 36.274 17.746 9.747 1.00 0.00 H ATOM 40 N THR A 3 33.312 16.130 12.321 1.00 20.75 N ATOM 41 CA THR A 3 33.121 15.661 13.693 1.00 20.10 C ATOM 42 C THR A 3 33.338 14.150 13.750 1.00 19.90 C ATOM 43 O THR A 3 33.327 13.472 12.716 1.00 19.59 O ATOM 44 CB THR A 3 31.706 15.983 14.235 1.00 20.34 C ATOM 45 OG1 THR A 3 30.715 15.304 13.448 1.00 20.37 O ATOM 46 CG2 THR A 3 31.437 17.485 14.231 1.00 19.86 C ATOM 47 HA THR A 3 33.847 16.183 14.317 1.00 0.00 H ATOM 48 HB THR A 3 31.652 15.635 15.267 1.00 0.00 H ATOM 49 HG1 THR A 3 30.781 15.604 12.507 1.00 0.00 H ATOM 50 HG23 THR A 3 32.194 17.990 14.831 1.00 0.00 H ATOM 51 HG21 THR A 3 31.475 17.857 13.207 1.00 0.00 H ATOM 52 HG22 THR A 3 30.450 17.677 14.652 1.00 0.00 H ATOM 53 H THR A 3 32.485 16.444 11.774 1.00 0.00 H ATOM 54 N ALA A 4 33.540 13.633 14.961 1.00 19.47 N ATOM 55 CA ALA A 4 33.655 12.193 15.177 1.00 19.05 C ATOM 56 C ALA A 4 32.387 11.474 14.712 1.00 19.04 C ATOM 57 O ALA A 4 32.460 10.397 14.117 1.00 19.46 O ATOM 58 CB ALA A 4 33.933 11.901 16.642 1.00 18.65 C ATOM 59 HA ALA A 4 34.491 11.819 14.586 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.866 12.382 16.936 1.00 0.00 H ATOM 61 HB2 ALA A 4 33.116 12.289 17.250 1.00 0.00 H ATOM 62 HB3 ALA A 4 34.016 10.824 16.787 1.00 0.00 H ATOM 63 H ALA A 4 33.618 14.274 15.777 1.00 0.00 H ATOM 64 N ALA A 5 31.229 12.072 14.994 1.00 18.86 N ATOM 65 CA ALA A 5 29.940 11.523 14.555 1.00 18.48 C ATOM 66 C ALA A 5 29.843 11.447 13.031 1.00 17.86 C ATOM 67 O ALA A 5 29.409 10.427 12.475 1.00 17.84 O ATOM 68 CB ALA A 5 28.785 12.342 15.130 1.00 18.38 C ATOM 69 HA ALA A 5 29.870 10.504 14.936 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.829 12.316 16.219 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.866 13.373 14.787 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.838 11.919 14.793 1.00 0.00 H ATOM 73 H ALA A 5 31.239 12.956 15.542 1.00 0.00 H ATOM 74 N ALA A 6 30.247 12.525 12.361 1.00 17.08 N ATOM 75 CA ALA A 6 30.289 12.556 10.899 1.00 16.04 C ATOM 76 C ALA A 6 31.251 11.525 10.316 1.00 15.33 C ATOM 77 O ALA A 6 30.960 10.926 9.280 1.00 15.59 O ATOM 78 CB ALA A 6 30.649 13.944 10.406 1.00 16.51 C ATOM 79 HA ALA A 6 29.289 12.296 10.551 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.902 14.657 10.754 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.628 14.224 10.794 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.675 13.946 9.316 1.00 0.00 H ATOM 83 H ALA A 6 30.541 13.369 12.893 1.00 0.00 H ATOM 84 N LYS A 7 32.401 11.351 10.965 1.00 13.44 N ATOM 85 CA LYS A 7 33.409 10.399 10.506 1.00 12.26 C ATOM 86 C LYS A 7 32.851 8.979 10.577 1.00 11.36 C ATOM 87 O LYS A 7 33.026 8.191 9.643 1.00 11.42 O ATOM 88 CB LYS A 7 34.695 10.533 11.324 1.00 12.48 C ATOM 89 CG LYS A 7 35.803 9.579 10.908 1.00 12.89 C ATOM 90 CD LYS A 7 37.032 9.772 11.763 1.00 13.99 C ATOM 91 CE LYS A 7 38.175 8.912 11.263 1.00 15.17 C ATOM 92 NZ LYS A 7 39.477 9.399 11.779 1.00 16.49 N ATOM 93 HA LYS A 7 33.658 10.620 9.468 1.00 0.00 H ATOM 94 HB2 LYS A 7 35.064 11.553 11.216 1.00 0.00 H ATOM 95 HB3 LYS A 7 34.456 10.343 12.370 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.450 8.553 11.017 1.00 0.00 H ATOM 97 HG3 LYS A 7 36.061 9.765 9.865 1.00 0.00 H ATOM 98 HD2 LYS A 7 37.331 10.820 11.729 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.799 9.495 12.791 1.00 0.00 H ATOM 100 HE2 LYS A 7 38.191 8.940 10.173 1.00 0.00 H ATOM 101 HE3 LYS A 7 38.021 7.886 11.597 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.632 10.376 11.459 1.00 0.00 H ATOM 103 HZ2 LYS A 7 39.469 9.370 12.819 1.00 0.00 H ATOM 104 HZ3 LYS A 7 40.240 8.791 11.420 1.00 0.00 H ATOM 105 H LYS A 7 32.586 11.909 11.823 1.00 0.00 H ATOM 106 N PHE A 8 32.155 8.669 11.672 1.00 10.17 N ATOM 107 CA PHE A 8 31.474 7.380 11.793 1.00 9.59 C ATOM 108 C PHE A 8 30.491 7.163 10.639 1.00 9.60 C ATOM 109 O PHE A 8 30.475 6.092 10.031 1.00 9.81 O ATOM 110 CB PHE A 8 30.757 7.233 13.142 1.00 9.45 C ATOM 111 CG PHE A 8 29.988 5.940 13.270 1.00 9.05 C ATOM 112 CD1 PHE A 8 28.693 5.835 12.771 1.00 8.18 C ATOM 113 CD2 PHE A 8 30.583 4.811 13.835 1.00 7.56 C ATOM 114 CE1 PHE A 8 27.992 4.629 12.846 1.00 8.53 C ATOM 115 CE2 PHE A 8 29.883 3.602 13.939 1.00 8.75 C ATOM 116 CZ PHE A 8 28.587 3.510 13.441 1.00 9.44 C ATOM 117 HA PHE A 8 32.244 6.610 11.742 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.502 7.273 13.937 1.00 0.00 H ATOM 119 HB3 PHE A 8 30.060 8.063 13.256 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.608 4.871 14.201 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.352 2.737 14.408 1.00 0.00 H ATOM 122 HZ PHE A 8 28.038 2.571 13.514 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.982 4.559 12.441 1.00 0.00 H ATOM 124 HD1 PHE A 8 28.220 6.705 12.316 1.00 0.00 H ATOM 125 H PHE A 8 32.096 9.354 12.452 1.00 0.00 H ATOM 126 N GLU A 9 29.677 8.177 10.339 1.00 8.98 N ATOM 127 CA GLU A 9 28.723 8.063 9.225 1.00 8.80 C ATOM 128 C GLU A 9 29.432 7.806 7.892 1.00 8.74 C ATOM 129 O GLU A 9 28.986 6.979 7.080 1.00 9.03 O ATOM 130 CB GLU A 9 27.822 9.301 9.130 1.00 9.29 C ATOM 131 CG GLU A 9 26.887 9.436 10.321 1.00 9.70 C ATOM 132 CD GLU A 9 25.859 10.539 10.156 1.00 10.74 C ATOM 133 OE1 GLU A 9 25.376 10.744 9.018 1.00 11.65 O ATOM 134 OE2 GLU A 9 25.528 11.185 11.178 1.00 9.92 O ATOM 135 HA GLU A 9 28.092 7.200 9.436 1.00 0.00 H ATOM 136 HB2 GLU A 9 28.452 10.189 9.078 1.00 0.00 H ATOM 137 HB3 GLU A 9 27.223 9.229 8.222 1.00 0.00 H ATOM 138 HG2 GLU A 9 26.362 8.491 10.457 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.484 9.649 11.207 1.00 0.00 H ATOM 140 H GLU A 9 29.717 9.054 10.897 1.00 0.00 H ATOM 141 N ARG A 10 30.542 8.501 7.671 1.00 8.65 N ATOM 142 CA ARG A 10 31.266 8.359 6.410 1.00 8.41 C ATOM 143 C ARG A 10 31.910 6.975 6.294 1.00 8.69 C ATOM 144 O ARG A 10 31.894 6.345 5.229 1.00 8.77 O ATOM 145 CB ARG A 10 32.328 9.454 6.269 1.00 8.34 C ATOM 146 CG ARG A 10 33.186 9.287 5.021 1.00 8.85 C ATOM 147 CD ARG A 10 34.189 10.409 4.838 1.00 8.57 C ATOM 148 NE ARG A 10 35.025 10.641 6.014 1.00 9.70 N ATOM 149 CZ ARG A 10 36.153 9.991 6.290 1.00 10.47 C ATOM 150 NH1 ARG A 10 36.597 9.032 5.483 1.00 11.20 N ATOM 151 NH2 ARG A 10 36.838 10.303 7.383 1.00 10.94 N ATOM 152 HA ARG A 10 30.545 8.466 5.599 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.827 10.421 6.221 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.977 9.425 7.144 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.728 8.344 5.095 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.531 9.260 4.150 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.644 11.326 4.615 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.837 10.159 3.998 1.00 0.00 H ATOM 159 HE ARG A 10 34.714 11.370 6.687 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.480 8.530 5.708 1.00 0.00 H ATOM 161 HH11 ARG A 10 36.062 8.784 4.627 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.720 9.799 7.605 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.492 11.051 8.017 1.00 0.00 H ATOM 164 H ARG A 10 30.898 9.151 8.401 1.00 0.00 H ATOM 165 N GLN A 11 32.467 6.497 7.401 1.00 8.55 N ATOM 166 CA GLN A 11 33.184 5.228 7.393 1.00 8.86 C ATOM 167 C GLN A 11 32.257 4.022 7.459 1.00 8.85 C ATOM 168 O GLN A 11 32.568 2.966 6.893 1.00 9.38 O ATOM 169 CB GLN A 11 34.177 5.164 8.553 1.00 8.75 C ATOM 170 CG GLN A 11 35.376 6.109 8.411 1.00 9.71 C ATOM 171 CD GLN A 11 36.501 5.827 9.415 1.00 10.29 C ATOM 172 OE1 GLN A 11 37.658 6.196 9.181 1.00 14.27 O ATOM 173 NE2 GLN A 11 36.171 5.176 10.524 1.00 12.19 N ATOM 174 HA GLN A 11 33.715 5.185 6.442 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.647 5.420 9.471 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.553 4.143 8.625 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.779 6.006 7.403 1.00 0.00 H ATOM 178 HG3 GLN A 11 35.029 7.132 8.560 1.00 0.00 H ATOM 179 HE22 GLN A 11 35.185 4.884 10.682 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.898 4.958 11.235 1.00 0.00 H ATOM 181 H GLN A 11 32.390 7.036 8.287 1.00 0.00 H ATOM 182 N HIS A 12 31.131 4.159 8.158 1.00 8.76 N ATOM 183 CA HIS A 12 30.372 2.965 8.553 1.00 8.60 C ATOM 184 C HIS A 12 28.895 2.886 8.183 1.00 9.05 C ATOM 185 O HIS A 12 28.270 1.850 8.420 1.00 9.49 O ATOM 186 CB HIS A 12 30.545 2.685 10.054 1.00 8.39 C ATOM 187 CG HIS A 12 31.971 2.496 10.465 1.00 7.94 C ATOM 188 ND1 HIS A 12 32.736 1.439 10.025 1.00 8.18 N ATOM 189 CD2 HIS A 12 32.769 3.228 11.277 1.00 6.82 C ATOM 190 CE1 HIS A 12 33.946 1.528 10.548 1.00 8.41 C ATOM 191 NE2 HIS A 12 33.993 2.607 11.309 1.00 6.90 N ATOM 192 HA HIS A 12 30.825 2.192 7.932 1.00 0.00 H ATOM 193 HB2 HIS A 12 30.133 3.526 10.612 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.991 1.780 10.303 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.492 4.140 11.806 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.766 0.830 10.380 1.00 0.00 H ATOM 197 H HIS A 12 30.791 5.106 8.422 1.00 0.00 H ATOM 198 N MET A 13 28.334 3.955 7.622 1.00 9.52 N ATOM 199 CA MET A 13 26.909 3.951 7.302 1.00 9.86 C ATOM 200 C MET A 13 26.660 3.816 5.803 1.00 10.13 C ATOM 201 O MET A 13 27.224 4.566 5.005 1.00 10.52 O ATOM 202 CB MET A 13 26.219 5.216 7.830 1.00 9.80 C ATOM 203 CG MET A 13 26.087 5.284 9.350 1.00 10.35 C ATOM 204 SD MET A 13 25.069 3.968 10.068 1.00 10.19 S ATOM 205 CE MET A 13 23.549 4.122 9.135 1.00 9.08 C ATOM 206 HA MET A 13 26.481 3.079 7.797 1.00 0.00 H ATOM 207 HB2 MET A 13 26.795 6.080 7.500 1.00 0.00 H ATOM 208 HB3 MET A 13 25.219 5.262 7.400 1.00 0.00 H ATOM 209 HG2 MET A 13 25.640 6.243 9.612 1.00 0.00 H ATOM 210 HG3 MET A 13 27.085 5.219 9.783 1.00 0.00 H ATOM 211 HE1 MET A 13 23.130 5.117 9.286 1.00 0.00 H ATOM 212 HE2 MET A 13 23.758 3.971 8.076 1.00 0.00 H ATOM 213 HE3 MET A 13 22.837 3.371 9.477 1.00 0.00 H ATOM 214 H MET A 13 28.911 4.794 7.411 1.00 0.00 H ATOM 215 N ASP A 14 25.811 2.869 5.417 1.00 10.48 N ATOM 216 CA ASP A 14 25.309 2.845 4.041 1.00 10.90 C ATOM 217 C ASP A 14 23.865 2.384 3.991 1.00 11.22 C ATOM 218 O ASP A 14 23.572 1.245 3.614 1.00 10.54 O ATOM 219 CB ASP A 14 26.178 2.014 3.092 1.00 11.22 C ATOM 220 CG ASP A 14 25.724 2.134 1.637 1.00 12.01 C ATOM 221 OD1 ASP A 14 25.010 3.109 1.315 1.00 13.50 O ATOM 222 OD2 ASP A 14 26.074 1.260 0.821 1.00 13.30 O ATOM 223 HA ASP A 14 25.361 3.874 3.685 1.00 0.00 H ATOM 224 HB2 ASP A 14 27.209 2.359 3.168 1.00 0.00 H ATOM 225 HB3 ASP A 14 26.123 0.967 3.392 1.00 0.00 H ATOM 226 H ASP A 14 25.502 2.143 6.094 1.00 0.00 H ATOM 227 N SER A 15 22.971 3.289 4.364 1.00 12.14 N ATOM 228 CA SER A 15 21.541 3.004 4.412 1.00 13.76 C ATOM 229 C SER A 15 20.913 2.875 3.020 1.00 15.39 C ATOM 230 O SER A 15 19.808 2.349 2.894 1.00 16.06 O ATOM 231 CB SER A 15 20.802 4.082 5.220 1.00 13.35 C ATOM 232 OG SER A 15 21.399 4.295 6.488 1.00 13.02 O ATOM 233 HA SER A 15 21.435 2.038 4.906 1.00 0.00 H ATOM 234 HB2 SER A 15 19.769 3.767 5.365 1.00 0.00 H ATOM 235 HB3 SER A 15 20.820 5.017 4.660 1.00 0.00 H ATOM 236 HG SER A 15 21.381 3.452 7.006 1.00 0.00 H ATOM 237 H SER A 15 23.301 4.238 4.633 1.00 0.00 H ATOM 238 N SER A 16 21.621 3.335 1.988 1.00 17.42 N ATOM 239 CA SER A 16 21.102 3.354 0.609 1.00 19.39 C ATOM 240 C SER A 16 20.852 1.975 -0.014 1.00 20.59 C ATOM 241 O SER A 16 19.936 1.820 -0.827 1.00 20.78 O ATOM 242 CB SER A 16 22.008 4.191 -0.298 1.00 19.43 C ATOM 243 OG SER A 16 22.021 5.540 0.137 1.00 20.15 O ATOM 244 HA SER A 16 20.117 3.815 0.688 1.00 0.00 H ATOM 245 HB2 SER A 16 21.635 4.145 -1.321 1.00 0.00 H ATOM 246 HB3 SER A 16 23.021 3.791 -0.264 1.00 0.00 H ATOM 247 HG SER A 16 22.609 6.071 -0.456 1.00 0.00 H ATOM 248 H SER A 16 22.580 3.696 2.164 1.00 0.00 H ATOM 249 N THR A 17 21.666 0.986 0.354 1.00 22.13 N ATOM 250 CA THR A 17 21.416 -0.399 -0.065 1.00 23.52 C ATOM 251 C THR A 17 20.965 -1.274 1.110 1.00 23.99 C ATOM 252 O THR A 17 21.430 -1.102 2.236 1.00 23.82 O ATOM 253 CB THR A 17 22.619 -1.034 -0.801 1.00 23.73 C ATOM 254 OG1 THR A 17 22.254 -2.347 -1.256 1.00 25.17 O ATOM 255 CG2 THR A 17 23.851 -1.108 0.098 1.00 23.74 C ATOM 256 HA THR A 17 20.599 -0.351 -0.785 1.00 0.00 H ATOM 257 HB THR A 17 22.875 -0.405 -1.654 1.00 0.00 H ATOM 258 HG1 THR A 17 23.022 -2.757 -1.728 1.00 0.00 H ATOM 259 HG23 THR A 17 24.115 -0.105 0.434 1.00 0.00 H ATOM 260 HG21 THR A 17 23.632 -1.736 0.961 1.00 0.00 H ATOM 261 HG22 THR A 17 24.683 -1.535 -0.462 1.00 0.00 H ATOM 262 H THR A 17 22.493 1.199 0.948 1.00 0.00 H ATOM 263 N SER A 18 20.054 -2.205 0.826 1.00 24.55 N ATOM 264 CA SER A 18 19.408 -3.028 1.855 1.00 25.07 C ATOM 265 C SER A 18 20.341 -4.085 2.439 1.00 25.28 C ATOM 266 O SER A 18 20.330 -4.339 3.647 1.00 25.51 O ATOM 267 CB SER A 18 18.149 -3.701 1.291 1.00 25.01 C ATOM 268 OG SER A 18 17.136 -2.751 1.006 1.00 25.20 O ATOM 269 HA SER A 18 19.134 -2.354 2.666 1.00 0.00 H ATOM 270 HB2 SER A 18 17.770 -4.414 2.023 1.00 0.00 H ATOM 271 HB3 SER A 18 18.410 -4.228 0.373 1.00 0.00 H ATOM 272 HG SER A 18 16.891 -2.272 1.837 1.00 0.00 H ATOM 273 H SER A 18 19.790 -2.355 -0.169 1.00 0.00 H ATOM 274 N ALA A 19 21.132 -4.701 1.566 1.00 25.54 N ATOM 275 CA ALA A 19 22.033 -5.786 1.930 1.00 25.75 C ATOM 276 C ALA A 19 22.866 -6.132 0.713 1.00 25.81 C ATOM 277 O ALA A 19 24.015 -5.702 0.601 1.00 25.97 O ATOM 278 CB ALA A 19 21.246 -7.014 2.407 1.00 25.78 C ATOM 279 HA ALA A 19 22.677 -5.472 2.752 1.00 0.00 H ATOM 280 HB1 ALA A 19 20.649 -6.745 3.279 1.00 0.00 H ATOM 281 HB2 ALA A 19 20.589 -7.356 1.607 1.00 0.00 H ATOM 282 HB3 ALA A 19 21.942 -7.809 2.673 1.00 0.00 H ATOM 283 H ALA A 19 21.106 -4.393 0.573 1.00 0.00 H ATOM 284 N ALA A 20 22.256 -6.887 -0.204 1.00 25.73 N ATOM 285 CA ALA A 20 22.886 -7.355 -1.442 1.00 25.44 C ATOM 286 C ALA A 20 24.401 -7.132 -1.482 1.00 25.18 C ATOM 287 O ALA A 20 25.168 -8.017 -1.077 1.00 25.03 O ATOM 288 CB ALA A 20 22.197 -6.733 -2.668 1.00 25.54 C ATOM 289 HA ALA A 20 22.748 -8.436 -1.468 1.00 0.00 H ATOM 290 HB1 ALA A 20 21.145 -7.019 -2.676 1.00 0.00 H ATOM 291 HB2 ALA A 20 22.279 -5.647 -2.618 1.00 0.00 H ATOM 292 HB3 ALA A 20 22.680 -7.093 -3.576 1.00 0.00 H ATOM 293 H ALA A 20 21.268 -7.161 -0.028 1.00 0.00 H ATOM 294 N SER A 21 24.806 -5.938 -1.930 1.00 24.56 N ATOM 295 CA SER A 21 26.213 -5.562 -2.123 1.00 23.94 C ATOM 296 C SER A 21 26.889 -6.475 -3.136 1.00 23.15 C ATOM 297 O SER A 21 27.178 -7.635 -2.831 1.00 23.42 O ATOM 298 CB SER A 21 26.980 -5.575 -0.798 1.00 24.08 C ATOM 299 OG SER A 21 26.370 -4.710 0.135 1.00 24.62 O ATOM 300 HA SER A 21 26.228 -4.544 -2.513 1.00 0.00 H ATOM 301 HB2 SER A 21 28.005 -5.248 -0.973 1.00 0.00 H ATOM 302 HB3 SER A 21 26.986 -6.589 -0.397 1.00 0.00 H ATOM 303 HG SER A 21 25.440 -5.006 0.299 1.00 0.00 H ATOM 304 H SER A 21 24.078 -5.231 -2.156 1.00 0.00 H ATOM 305 N SER A 22 27.139 -5.958 -4.339 1.00 22.29 N ATOM 306 CA SER A 22 27.796 -6.754 -5.384 1.00 21.23 C ATOM 307 C SER A 22 29.237 -7.089 -4.987 1.00 20.40 C ATOM 308 O SER A 22 29.765 -6.530 -4.020 1.00 20.16 O ATOM 309 CB SER A 22 27.760 -6.036 -6.743 1.00 21.46 C ATOM 310 OG SER A 22 28.808 -5.088 -6.873 1.00 21.29 O ATOM 311 HA SER A 22 27.241 -7.687 -5.486 1.00 0.00 H ATOM 312 HB2 SER A 22 26.805 -5.521 -6.844 1.00 0.00 H ATOM 313 HB3 SER A 22 27.856 -6.778 -7.536 1.00 0.00 H ATOM 314 HG SER A 22 28.748 -4.651 -7.759 1.00 0.00 H ATOM 315 H SER A 22 26.864 -4.975 -4.541 1.00 0.00 H ATOM 316 N SER A 23 29.869 -7.999 -5.727 1.00 19.35 N ATOM 317 CA SER A 23 31.276 -8.344 -5.491 1.00 18.30 C ATOM 318 C SER A 23 32.198 -7.131 -5.673 1.00 17.86 C ATOM 319 O SER A 23 33.331 -7.122 -5.199 1.00 17.51 O ATOM 320 CB SER A 23 31.720 -9.517 -6.382 1.00 18.24 C ATOM 321 OG SER A 23 31.451 -9.271 -7.751 1.00 16.59 O ATOM 322 HA SER A 23 31.360 -8.662 -4.452 1.00 0.00 H ATOM 323 HB2 SER A 23 31.186 -10.416 -6.074 1.00 0.00 H ATOM 324 HB3 SER A 23 32.792 -9.671 -6.255 1.00 0.00 H ATOM 325 HG SER A 23 31.750 -10.046 -8.289 1.00 0.00 H ATOM 326 H SER A 23 29.352 -8.477 -6.492 1.00 0.00 H ATOM 327 N ASN A 24 31.685 -6.106 -6.351 1.00 17.82 N ATOM 328 CA ASN A 24 32.410 -4.854 -6.557 1.00 17.44 C ATOM 329 C ASN A 24 32.263 -3.881 -5.386 1.00 17.06 C ATOM 330 O ASN A 24 33.016 -2.916 -5.293 1.00 16.99 O ATOM 331 CB ASN A 24 31.936 -4.158 -7.844 1.00 17.58 C ATOM 332 CG ASN A 24 32.125 -5.010 -9.086 1.00 18.19 C ATOM 333 OD1 ASN A 24 33.178 -5.619 -9.292 1.00 18.66 O ATOM 334 ND2 ASN A 24 31.104 -5.040 -9.934 1.00 18.64 N ATOM 335 HA ASN A 24 33.463 -5.125 -6.639 1.00 0.00 H ATOM 336 HB2 ASN A 24 30.876 -3.923 -7.742 1.00 0.00 H ATOM 337 HB3 ASN A 24 32.501 -3.234 -7.967 1.00 0.00 H ATOM 338 HD22 ASN A 24 30.235 -4.511 -9.720 1.00 0.00 H ATOM 339 HD21 ASN A 24 31.174 -5.592 -10.812 1.00 0.00 H ATOM 340 H ASN A 24 30.729 -6.200 -6.750 1.00 0.00 H ATOM 341 N TYR A 25 31.295 -4.146 -4.505 1.00 16.61 N ATOM 342 CA TYR A 25 30.850 -3.178 -3.491 1.00 16.13 C ATOM 343 C TYR A 25 31.980 -2.567 -2.658 1.00 15.79 C ATOM 344 O TYR A 25 32.145 -1.344 -2.636 1.00 15.72 O ATOM 345 CB TYR A 25 29.767 -3.797 -2.593 1.00 16.24 C ATOM 346 CG TYR A 25 29.261 -2.896 -1.483 1.00 16.38 C ATOM 347 CD1 TYR A 25 28.163 -2.053 -1.683 1.00 16.33 C ATOM 348 CD2 TYR A 25 29.871 -2.896 -0.227 1.00 17.04 C ATOM 349 CE1 TYR A 25 27.692 -1.228 -0.660 1.00 16.45 C ATOM 350 CE2 TYR A 25 29.410 -2.079 0.797 1.00 16.51 C ATOM 351 CZ TYR A 25 28.323 -1.248 0.578 1.00 16.56 C ATOM 352 OH TYR A 25 27.870 -0.434 1.594 1.00 15.85 O ATOM 353 HA TYR A 25 30.425 -2.341 -4.046 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.180 -4.697 -2.137 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.919 -4.067 -3.223 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.725 -3.549 -0.047 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.902 -2.091 1.770 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.837 -0.574 -0.831 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.667 -2.040 -2.653 1.00 0.00 H ATOM 360 HH TYR A 25 27.094 0.090 1.274 1.00 0.00 H ATOM 361 H TYR A 25 30.835 -5.078 -4.537 1.00 0.00 H ATOM 362 N CYS A 26 32.756 -3.407 -1.980 1.00 15.62 N ATOM 363 CA CYS A 26 33.831 -2.906 -1.113 1.00 15.49 C ATOM 364 C CYS A 26 34.902 -2.167 -1.887 1.00 15.66 C ATOM 365 O CYS A 26 35.379 -1.131 -1.436 1.00 15.66 O ATOM 366 CB CYS A 26 34.447 -4.021 -0.281 1.00 15.33 C ATOM 367 SG CYS A 26 33.331 -4.596 0.985 1.00 14.55 S ATOM 368 HA CYS A 26 33.366 -2.190 -0.435 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.356 -3.648 0.192 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.696 -4.855 -0.937 1.00 0.00 H ATOM 371 H CYS A 26 32.600 -4.432 -2.064 1.00 0.00 H ATOM 372 N ASN A 27 35.271 -2.693 -3.053 1.00 15.66 N ATOM 373 CA ASN A 27 36.204 -1.988 -3.925 1.00 15.95 C ATOM 374 C ASN A 27 35.740 -0.560 -4.222 1.00 16.45 C ATOM 375 O ASN A 27 36.524 0.380 -4.120 1.00 16.93 O ATOM 376 CB ASN A 27 36.446 -2.770 -5.221 1.00 15.59 C ATOM 377 CG ASN A 27 37.225 -4.053 -4.993 1.00 15.55 C ATOM 378 OD1 ASN A 27 37.961 -4.188 -4.007 1.00 15.62 O ATOM 379 ND2 ASN A 27 37.084 -5.000 -5.916 1.00 15.82 N ATOM 380 HA ASN A 27 37.152 -1.915 -3.392 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.482 -3.021 -5.663 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.007 -2.139 -5.910 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.454 -4.844 -6.729 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.603 -5.896 -5.825 1.00 0.00 H ATOM 385 H ASN A 27 34.890 -3.616 -3.345 1.00 0.00 H ATOM 386 N GLN A 28 34.459 -0.407 -4.559 1.00 16.77 N ATOM 387 CA GLN A 28 33.882 0.901 -4.877 1.00 17.61 C ATOM 388 C GLN A 28 33.754 1.768 -3.628 1.00 17.09 C ATOM 389 O GLN A 28 34.119 2.942 -3.639 1.00 17.25 O ATOM 390 CB GLN A 28 32.499 0.749 -5.520 1.00 17.17 C ATOM 391 CG GLN A 28 32.460 -0.028 -6.829 1.00 19.12 C ATOM 392 CD GLN A 28 31.034 -0.307 -7.290 1.00 19.23 C ATOM 393 OE1 GLN A 28 30.066 0.028 -6.597 1.00 22.52 O ATOM 394 NE2 GLN A 28 30.898 -0.919 -8.464 1.00 21.66 N ATOM 395 HA GLN A 28 34.559 1.385 -5.581 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.853 0.237 -4.807 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.107 1.748 -5.712 1.00 0.00 H ATOM 398 HG2 GLN A 28 32.971 0.552 -7.598 1.00 0.00 H ATOM 399 HG3 GLN A 28 32.976 -0.978 -6.689 1.00 0.00 H ATOM 400 HE22 GLN A 28 31.741 -1.183 -9.014 1.00 0.00 H ATOM 401 HE21 GLN A 28 29.949 -1.133 -8.832 1.00 0.00 H ATOM 402 H GLN A 28 33.847 -1.247 -4.597 1.00 0.00 H ATOM 403 N MET A 29 33.242 1.170 -2.555 1.00 17.09 N ATOM 404 CA MET A 29 32.881 1.905 -1.340 1.00 16.86 C ATOM 405 C MET A 29 34.072 2.333 -0.503 1.00 16.68 C ATOM 406 O MET A 29 34.069 3.421 0.086 1.00 16.34 O ATOM 407 CB MET A 29 31.921 1.079 -0.480 1.00 16.98 C ATOM 408 CG MET A 29 30.512 1.013 -1.034 1.00 17.57 C ATOM 409 SD MET A 29 29.695 2.615 -1.010 1.00 19.02 S ATOM 410 CE MET A 29 29.314 2.767 0.736 1.00 18.60 C ATOM 411 HA MET A 29 32.395 2.819 -1.682 1.00 0.00 H ATOM 412 HB2 MET A 29 32.311 0.064 -0.407 1.00 0.00 H ATOM 413 HB3 MET A 29 31.880 1.523 0.514 1.00 0.00 H ATOM 414 HG2 MET A 29 29.931 0.314 -0.433 1.00 0.00 H ATOM 415 HG3 MET A 29 30.556 0.657 -2.063 1.00 0.00 H ATOM 416 HE1 MET A 29 28.670 1.942 1.039 1.00 0.00 H ATOM 417 HE2 MET A 29 30.239 2.738 1.312 1.00 0.00 H ATOM 418 HE3 MET A 29 28.803 3.713 0.914 1.00 0.00 H ATOM 419 H MET A 29 33.092 0.141 -2.580 1.00 0.00 H ATOM 420 N MET A 30 35.085 1.474 -0.425 1.00 16.23 N ATOM 421 CA MET A 30 36.277 1.823 0.340 1.00 16.16 C ATOM 422 C MET A 30 36.966 3.032 -0.289 1.00 16.41 C ATOM 423 O MET A 30 37.477 3.894 0.419 1.00 16.66 O ATOM 424 CB MET A 30 37.231 0.635 0.475 1.00 15.89 C ATOM 425 CG MET A 30 36.681 -0.510 1.336 1.00 14.64 C ATOM 426 SD MET A 30 36.410 -0.062 3.066 1.00 13.74 S ATOM 427 CE MET A 30 38.103 0.096 3.656 1.00 14.72 C ATOM 428 HA MET A 30 35.970 2.090 1.351 1.00 0.00 H ATOM 429 HB2 MET A 30 37.438 0.246 -0.522 1.00 0.00 H ATOM 430 HB3 MET A 30 38.158 0.989 0.926 1.00 0.00 H ATOM 431 HG2 MET A 30 37.391 -1.336 1.303 1.00 0.00 H ATOM 432 HG3 MET A 30 35.730 -0.832 0.912 1.00 0.00 H ATOM 433 HE1 MET A 30 38.621 -0.855 3.530 1.00 0.00 H ATOM 434 HE2 MET A 30 38.616 0.869 3.083 1.00 0.00 H ATOM 435 HE3 MET A 30 38.095 0.370 4.711 1.00 0.00 H ATOM 436 H MET A 30 35.027 0.555 -0.909 1.00 0.00 H ATOM 437 N LYS A 31 36.952 3.099 -1.619 1.00 16.81 N ATOM 438 CA LYS A 31 37.503 4.239 -2.343 1.00 16.95 C ATOM 439 C LYS A 31 36.641 5.498 -2.209 1.00 16.89 C ATOM 440 O LYS A 31 37.153 6.564 -1.854 1.00 16.53 O ATOM 441 CB LYS A 31 37.708 3.889 -3.818 1.00 17.01 C ATOM 442 CG LYS A 31 38.420 4.973 -4.619 1.00 18.22 C ATOM 443 CD LYS A 31 38.448 4.638 -6.095 1.00 20.39 C ATOM 444 CE LYS A 31 39.260 5.661 -6.877 1.00 20.12 C ATOM 445 NZ LYS A 31 39.242 5.390 -8.343 1.00 21.98 N ATOM 446 HA LYS A 31 38.468 4.464 -1.888 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.300 2.976 -3.875 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.731 3.716 -4.269 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.897 5.919 -4.479 1.00 0.00 H ATOM 450 HG3 LYS A 31 39.444 5.068 -4.257 1.00 0.00 H ATOM 451 HD2 LYS A 31 38.895 3.653 -6.228 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.427 4.627 -6.477 1.00 0.00 H ATOM 453 HE2 LYS A 31 40.292 5.633 -6.527 1.00 0.00 H ATOM 454 HE3 LYS A 31 38.844 6.652 -6.697 1.00 0.00 H ATOM 455 HZ1 LYS A 31 39.645 4.449 -8.525 1.00 0.00 H ATOM 456 HZ2 LYS A 31 38.261 5.422 -8.688 1.00 0.00 H ATOM 457 HZ3 LYS A 31 39.807 6.111 -8.835 1.00 0.00 H ATOM 458 H LYS A 31 36.535 2.314 -2.158 1.00 0.00 H ATOM 459 N SER A 32 35.338 5.364 -2.472 1.00 17.17 N ATOM 460 CA SER A 32 34.425 6.514 -2.484 1.00 17.27 C ATOM 461 C SER A 32 34.240 7.183 -1.124 1.00 17.18 C ATOM 462 O SER A 32 33.960 8.384 -1.058 1.00 17.22 O ATOM 463 CB SER A 32 33.063 6.141 -3.084 1.00 17.51 C ATOM 464 OG SER A 32 32.372 5.206 -2.277 1.00 17.73 O ATOM 465 HA SER A 32 34.911 7.252 -3.122 1.00 0.00 H ATOM 466 HB2 SER A 32 33.219 5.708 -4.072 1.00 0.00 H ATOM 467 HB3 SER A 32 32.458 7.043 -3.176 1.00 0.00 H ATOM 468 HG SER A 32 31.501 4.991 -2.695 1.00 0.00 H ATOM 469 H SER A 32 34.959 4.417 -2.674 1.00 0.00 H ATOM 470 N ARG A 33 34.397 6.408 -0.051 1.00 17.35 N ATOM 471 CA ARG A 33 34.296 6.941 1.304 1.00 17.59 C ATOM 472 C ARG A 33 35.652 7.378 1.856 1.00 18.28 C ATOM 473 O ARG A 33 35.780 7.680 3.052 1.00 18.45 O ATOM 474 CB ARG A 33 33.624 5.930 2.238 1.00 17.30 C ATOM 475 CG ARG A 33 32.177 5.603 1.873 1.00 17.41 C ATOM 476 CD ARG A 33 31.261 6.827 1.924 1.00 16.35 C ATOM 477 NE ARG A 33 29.872 6.430 1.697 1.00 17.65 N ATOM 478 CZ ARG A 33 29.054 5.988 2.653 1.00 16.23 C ATOM 479 NH1 ARG A 33 29.470 5.905 3.918 1.00 16.42 N ATOM 480 NH2 ARG A 33 27.811 5.636 2.349 1.00 17.38 N ATOM 481 HA ARG A 33 33.671 7.833 1.252 1.00 0.00 H ATOM 482 HB2 ARG A 33 34.200 5.005 2.212 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.638 6.337 3.249 1.00 0.00 H ATOM 484 HG2 ARG A 33 32.156 5.194 0.863 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.801 4.857 2.573 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.564 7.536 1.153 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.345 7.299 2.903 1.00 0.00 H ATOM 488 HE ARG A 33 29.498 6.497 0.729 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.824 5.559 4.656 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.440 6.186 4.166 1.00 0.00 H ATOM 491 HH22 ARG A 33 27.171 5.291 3.093 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.476 5.705 1.367 1.00 0.00 H ATOM 493 H ARG A 33 34.597 5.396 -0.183 1.00 0.00 H ATOM 494 N ASN A 34 36.646 7.421 0.967 1.00 18.90 N ATOM 495 CA ASN A 34 37.989 7.927 1.257 1.00 19.88 C ATOM 496 C ASN A 34 38.767 7.144 2.306 1.00 20.12 C ATOM 497 O ASN A 34 39.541 7.707 3.083 1.00 20.37 O ATOM 498 CB ASN A 34 37.938 9.424 1.568 1.00 20.07 C ATOM 499 CG ASN A 34 37.662 10.251 0.328 1.00 22.12 C ATOM 500 OD1 ASN A 34 38.457 10.250 -0.617 1.00 23.42 O ATOM 501 ND2 ASN A 34 36.526 10.944 0.313 1.00 24.07 N ATOM 502 HA ASN A 34 38.566 7.771 0.346 1.00 0.00 H ATOM 503 HB2 ASN A 34 37.148 9.606 2.296 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.896 9.729 1.989 1.00 0.00 H ATOM 505 HD22 ASN A 34 35.888 10.914 1.133 1.00 0.00 H ATOM 506 HD21 ASN A 34 36.277 11.516 -0.519 1.00 0.00 H ATOM 507 H ASN A 34 36.454 7.073 0.006 1.00 0.00 H ATOM 508 N LEU A 35 38.569 5.827 2.289 1.00 20.39 N ATOM 509 CA LEU A 35 39.233 4.921 3.220 1.00 20.82 C ATOM 510 C LEU A 35 40.437 4.247 2.564 1.00 21.13 C ATOM 511 O LEU A 35 41.048 3.350 3.142 1.00 21.62 O ATOM 512 CB LEU A 35 38.232 3.883 3.750 1.00 20.74 C ATOM 513 CG LEU A 35 36.879 4.439 4.214 1.00 20.90 C ATOM 514 CD1 LEU A 35 36.001 3.335 4.751 1.00 21.58 C ATOM 515 CD2 LEU A 35 37.068 5.516 5.270 1.00 21.95 C ATOM 516 HA LEU A 35 39.605 5.501 4.065 1.00 0.00 H ATOM 517 HB2 LEU A 35 38.043 3.163 2.954 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.693 3.374 4.596 1.00 0.00 H ATOM 519 HG LEU A 35 36.388 4.885 3.349 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.587 5.093 6.130 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.658 6.332 4.853 1.00 0.00 H ATOM 522 HD23 LEU A 35 36.094 5.893 5.581 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.828 2.597 3.968 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.495 2.859 5.598 1.00 0.00 H ATOM 525 HD13 LEU A 35 35.048 3.755 5.073 1.00 0.00 H ATOM 526 H LEU A 35 37.916 5.429 1.585 1.00 0.00 H ATOM 527 N THR A 36 40.775 4.689 1.355 1.00 21.26 N ATOM 528 CA THR A 36 41.951 4.183 0.643 1.00 21.49 C ATOM 529 C THR A 36 42.878 5.331 0.224 1.00 21.84 C ATOM 530 O THR A 36 43.724 5.175 -0.660 1.00 21.60 O ATOM 531 CB THR A 36 41.562 3.343 -0.600 1.00 21.61 C ATOM 532 OG1 THR A 36 40.954 4.185 -1.587 1.00 21.30 O ATOM 533 CG2 THR A 36 40.606 2.207 -0.229 1.00 21.86 C ATOM 534 HA THR A 36 42.481 3.532 1.338 1.00 0.00 H ATOM 535 HB THR A 36 42.472 2.901 -1.006 1.00 0.00 H ATOM 536 HG1 THR A 36 40.141 4.603 -1.207 1.00 0.00 H ATOM 537 HG23 THR A 36 41.074 1.570 0.522 1.00 0.00 H ATOM 538 HG21 THR A 36 39.684 2.627 0.173 1.00 0.00 H ATOM 539 HG22 THR A 36 40.382 1.618 -1.118 1.00 0.00 H ATOM 540 H THR A 36 40.186 5.416 0.902 1.00 0.00 H ATOM 541 N LYS A 37 42.720 6.479 0.878 1.00 22.10 N ATOM 542 CA LYS A 37 43.456 7.688 0.514 1.00 22.57 C ATOM 543 C LYS A 37 44.921 7.629 0.954 1.00 22.32 C ATOM 544 O LYS A 37 45.824 7.811 0.136 1.00 22.62 O ATOM 545 CB LYS A 37 42.759 8.927 1.092 1.00 22.38 C ATOM 546 CG LYS A 37 43.326 10.259 0.630 1.00 23.48 C ATOM 547 CD LYS A 37 42.608 11.416 1.305 1.00 23.38 C ATOM 548 CE LYS A 37 43.237 12.750 0.941 1.00 24.65 C ATOM 549 NZ LYS A 37 42.467 13.891 1.513 1.00 25.81 N ATOM 550 HA LYS A 37 43.457 7.758 -0.574 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.708 8.889 0.804 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.839 8.884 2.178 1.00 0.00 H ATOM 553 HG2 LYS A 37 44.386 10.302 0.879 1.00 0.00 H ATOM 554 HG3 LYS A 37 43.204 10.344 -0.450 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.565 11.418 0.990 1.00 0.00 H ATOM 556 HD3 LYS A 37 42.659 11.283 2.386 1.00 0.00 H ATOM 557 HE2 LYS A 37 43.260 12.847 -0.144 1.00 0.00 H ATOM 558 HE3 LYS A 37 44.255 12.779 1.329 1.00 0.00 H ATOM 559 HZ1 LYS A 37 41.495 13.872 1.142 1.00 0.00 H ATOM 560 HZ2 LYS A 37 42.446 13.808 2.549 1.00 0.00 H ATOM 561 HZ3 LYS A 37 42.925 14.786 1.245 1.00 0.00 H ATOM 562 H LYS A 37 42.051 6.517 1.674 1.00 0.00 H ATOM 563 N ASP A 38 45.145 7.374 2.242 1.00 22.15 N ATOM 564 CA ASP A 38 46.493 7.385 2.817 1.00 22.19 C ATOM 565 C ASP A 38 47.141 6.004 2.837 1.00 21.67 C ATOM 566 O ASP A 38 48.371 5.882 2.876 1.00 21.56 O ATOM 567 CB ASP A 38 46.454 7.960 4.234 1.00 22.68 C ATOM 568 CG ASP A 38 46.076 9.430 4.260 1.00 23.77 C ATOM 569 OD1 ASP A 38 46.530 10.191 3.375 1.00 25.13 O ATOM 570 OD2 ASP A 38 45.328 9.828 5.179 1.00 25.66 O ATOM 571 HA ASP A 38 47.105 8.017 2.173 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.722 7.401 4.817 1.00 0.00 H ATOM 573 HB3 ASP A 38 47.440 7.845 4.684 1.00 0.00 H ATOM 574 H ASP A 38 44.336 7.160 2.860 1.00 0.00 H ATOM 575 N ARG A 39 46.289 4.981 2.818 1.00 21.12 N ATOM 576 CA ARG A 39 46.677 3.575 2.846 1.00 20.66 C ATOM 577 C ARG A 39 45.414 2.768 2.577 1.00 20.26 C ATOM 578 O ARG A 39 44.311 3.319 2.577 1.00 20.53 O ATOM 579 CB ARG A 39 47.245 3.183 4.213 1.00 20.81 C ATOM 580 CG ARG A 39 46.267 3.400 5.359 1.00 21.68 C ATOM 581 CD ARG A 39 46.568 2.536 6.566 1.00 23.24 C ATOM 582 NE ARG A 39 45.447 2.573 7.505 1.00 25.07 N ATOM 583 CZ ARG A 39 45.350 1.837 8.610 1.00 25.14 C ATOM 584 NH1 ARG A 39 44.280 1.959 9.384 1.00 25.62 N ATOM 585 NH2 ARG A 39 46.311 0.982 8.943 1.00 25.39 N ATOM 586 HA ARG A 39 47.451 3.385 2.102 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.516 2.128 4.185 1.00 0.00 H ATOM 588 HB3 ARG A 39 48.137 3.781 4.401 1.00 0.00 H ATOM 589 HG2 ARG A 39 46.312 4.446 5.661 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.262 3.167 5.007 1.00 0.00 H ATOM 591 HD2 ARG A 39 47.465 2.908 7.061 1.00 0.00 H ATOM 592 HD3 ARG A 39 46.733 1.508 6.242 1.00 0.00 H ATOM 593 HE ARG A 39 44.665 3.225 7.293 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.196 1.388 10.249 1.00 0.00 H ATOM 595 HH11 ARG A 39 43.525 2.626 9.126 1.00 0.00 H ATOM 596 HH22 ARG A 39 46.223 0.413 9.809 1.00 0.00 H ATOM 597 HH21 ARG A 39 47.151 0.882 8.338 1.00 0.00 H ATOM 598 H ARG A 39 45.273 5.200 2.780 1.00 0.00 H ATOM 599 N CYS A 40 45.562 1.469 2.362 1.00 19.65 N ATOM 600 CA CYS A 40 44.384 0.609 2.293 1.00 18.82 C ATOM 601 C CYS A 40 43.934 0.305 3.720 1.00 18.62 C ATOM 602 O CYS A 40 44.635 -0.404 4.446 1.00 18.97 O ATOM 603 CB CYS A 40 44.695 -0.692 1.554 1.00 18.85 C ATOM 604 SG CYS A 40 45.432 -0.512 -0.081 1.00 18.70 S ATOM 605 HA CYS A 40 43.593 1.119 1.742 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.762 -1.244 1.441 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.385 -1.270 2.170 1.00 0.00 H ATOM 608 H CYS A 40 46.512 1.064 2.243 1.00 0.00 H ATOM 609 N LYS A 41 42.800 0.865 4.142 1.00 17.98 N ATOM 610 CA LYS A 41 42.250 0.506 5.454 1.00 17.26 C ATOM 611 C LYS A 41 41.998 -1.006 5.417 1.00 16.56 C ATOM 612 O LYS A 41 41.317 -1.489 4.513 1.00 16.59 O ATOM 613 CB LYS A 41 40.973 1.285 5.781 1.00 17.69 C ATOM 614 CG LYS A 41 40.497 1.066 7.221 1.00 17.87 C ATOM 615 CD LYS A 41 39.285 1.918 7.603 1.00 17.27 C ATOM 616 CE LYS A 41 38.888 1.665 9.068 1.00 18.45 C ATOM 617 NZ LYS A 41 37.603 2.309 9.445 1.00 20.61 N ATOM 618 HA LYS A 41 42.951 0.768 6.247 1.00 0.00 H ATOM 619 HB2 LYS A 41 41.166 2.348 5.635 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.185 0.964 5.100 1.00 0.00 H ATOM 621 HG2 LYS A 41 40.231 0.016 7.340 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.317 1.311 7.896 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.532 2.972 7.475 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.447 1.661 6.955 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.675 2.056 9.713 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.795 0.590 9.222 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.680 3.338 9.313 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.841 1.937 8.843 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.392 2.101 10.442 1.00 0.00 H ATOM 630 H LYS A 41 42.306 1.556 3.542 1.00 0.00 H ATOM 631 N PRO A 42 42.594 -1.760 6.359 1.00 15.41 N ATOM 632 CA PRO A 42 42.570 -3.231 6.308 1.00 14.53 C ATOM 633 C PRO A 42 41.183 -3.875 6.462 1.00 13.65 C ATOM 634 O PRO A 42 40.850 -4.800 5.720 1.00 13.51 O ATOM 635 CB PRO A 42 43.484 -3.642 7.475 1.00 14.84 C ATOM 636 CG PRO A 42 44.269 -2.411 7.815 1.00 15.32 C ATOM 637 CD PRO A 42 43.365 -1.267 7.514 1.00 15.68 C ATOM 638 HA PRO A 42 42.891 -3.575 5.325 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.712 -1.049 8.359 1.00 0.00 H ATOM 640 HD2 PRO A 42 43.933 -0.374 7.255 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.172 -2.354 7.206 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.543 -2.413 8.870 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.890 -3.965 8.330 1.00 0.00 H ATOM 644 HB3 PRO A 42 44.151 -4.449 7.172 1.00 0.00 H ATOM 645 N VAL A 43 40.396 -3.395 7.422 1.00 12.07 N ATOM 646 CA VAL A 43 39.076 -3.960 7.708 1.00 11.00 C ATOM 647 C VAL A 43 38.099 -2.820 7.970 1.00 10.07 C ATOM 648 O VAL A 43 38.409 -1.892 8.723 1.00 10.28 O ATOM 649 CB VAL A 43 39.106 -4.939 8.928 1.00 11.13 C ATOM 650 CG1 VAL A 43 37.699 -5.314 9.372 1.00 11.49 C ATOM 651 CG2 VAL A 43 39.906 -6.202 8.597 1.00 11.43 C ATOM 652 HA VAL A 43 38.756 -4.541 6.843 1.00 0.00 H ATOM 653 HB VAL A 43 39.597 -4.419 9.750 1.00 0.00 H ATOM 654 HG11 VAL A 43 37.159 -4.413 9.663 1.00 0.00 H ATOM 655 HG12 VAL A 43 37.177 -5.802 8.548 1.00 0.00 H ATOM 656 HG13 VAL A 43 37.757 -5.995 10.221 1.00 0.00 H ATOM 657 HG21 VAL A 43 39.445 -6.711 7.750 1.00 0.00 H ATOM 658 HG22 VAL A 43 40.930 -5.926 8.344 1.00 0.00 H ATOM 659 HG23 VAL A 43 39.911 -6.865 9.462 1.00 0.00 H ATOM 660 H VAL A 43 40.731 -2.590 7.989 1.00 0.00 H ATOM 661 N ASN A 44 36.930 -2.879 7.339 1.00 9.20 N ATOM 662 CA ASN A 44 35.916 -1.844 7.533 1.00 8.57 C ATOM 663 C ASN A 44 34.516 -2.368 7.281 1.00 8.33 C ATOM 664 O ASN A 44 34.273 -3.039 6.284 1.00 8.91 O ATOM 665 CB ASN A 44 36.178 -0.633 6.634 1.00 8.90 C ATOM 666 CG ASN A 44 35.312 0.551 6.997 1.00 8.75 C ATOM 667 OD1 ASN A 44 35.565 1.229 7.997 1.00 9.32 O ATOM 668 ND2 ASN A 44 34.272 0.801 6.199 1.00 7.88 N ATOM 669 HA ASN A 44 35.985 -1.535 8.576 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.225 -0.344 6.731 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.974 -0.913 5.601 1.00 0.00 H ATOM 672 HD22 ASN A 44 34.099 0.201 5.367 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.634 1.595 6.409 1.00 0.00 H ATOM 674 H ASN A 44 36.734 -3.674 6.698 1.00 0.00 H ATOM 675 N THR A 45 33.594 -2.030 8.173 1.00 7.22 N ATOM 676 CA THR A 45 32.207 -2.492 8.082 1.00 6.89 C ATOM 677 C THR A 45 31.231 -1.366 7.733 1.00 7.22 C ATOM 678 O THR A 45 31.306 -0.283 8.304 1.00 6.90 O ATOM 679 CB THR A 45 31.780 -3.157 9.411 1.00 6.30 C ATOM 680 OG1 THR A 45 32.697 -4.213 9.722 1.00 6.93 O ATOM 681 CG2 THR A 45 30.364 -3.708 9.321 1.00 8.03 C ATOM 682 HA THR A 45 32.168 -3.219 7.270 1.00 0.00 H ATOM 683 HB THR A 45 31.796 -2.405 10.200 1.00 0.00 H ATOM 684 HG1 THR A 45 32.685 -4.884 8.994 1.00 0.00 H ATOM 685 HG23 THR A 45 29.675 -2.898 9.084 1.00 0.00 H ATOM 686 HG21 THR A 45 30.319 -4.465 8.538 1.00 0.00 H ATOM 687 HG22 THR A 45 30.088 -4.154 10.276 1.00 0.00 H ATOM 688 H THR A 45 33.866 -1.414 8.966 1.00 0.00 H ATOM 689 N PHE A 46 30.332 -1.637 6.783 1.00 7.15 N ATOM 690 CA PHE A 46 29.220 -0.740 6.467 1.00 7.46 C ATOM 691 C PHE A 46 27.904 -1.334 6.947 1.00 7.69 C ATOM 692 O PHE A 46 27.650 -2.535 6.774 1.00 8.27 O ATOM 693 CB PHE A 46 29.134 -0.467 4.960 1.00 7.60 C ATOM 694 CG PHE A 46 30.307 0.294 4.415 1.00 7.32 C ATOM 695 CD1 PHE A 46 30.359 1.678 4.497 1.00 7.64 C ATOM 696 CD2 PHE A 46 31.360 -0.381 3.802 1.00 7.73 C ATOM 697 CE1 PHE A 46 31.457 2.382 3.994 1.00 8.24 C ATOM 698 CE2 PHE A 46 32.455 0.313 3.290 1.00 7.47 C ATOM 699 CZ PHE A 46 32.499 1.697 3.387 1.00 7.48 C ATOM 700 HA PHE A 46 29.404 0.203 6.982 1.00 0.00 H ATOM 701 HB2 PHE A 46 29.073 -1.423 4.440 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.230 0.110 4.766 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.327 -1.468 3.722 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.273 -0.229 2.815 1.00 0.00 H ATOM 705 HZ PHE A 46 33.352 2.245 2.986 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.494 3.468 4.079 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.535 2.222 4.959 1.00 0.00 H ATOM 708 H PHE A 46 30.426 -2.522 6.246 1.00 0.00 H ATOM 709 N VAL A 47 27.078 -0.487 7.554 1.00 8.29 N ATOM 710 CA VAL A 47 25.807 -0.908 8.127 1.00 8.63 C ATOM 711 C VAL A 47 24.649 -0.418 7.257 1.00 8.88 C ATOM 712 O VAL A 47 24.543 0.780 6.972 1.00 8.75 O ATOM 713 CB VAL A 47 25.644 -0.382 9.575 1.00 8.54 C ATOM 714 CG1 VAL A 47 24.344 -0.878 10.181 1.00 9.90 C ATOM 715 CG2 VAL A 47 26.845 -0.807 10.439 1.00 9.73 C ATOM 716 HA VAL A 47 25.795 -1.997 8.159 1.00 0.00 H ATOM 717 HB VAL A 47 25.611 0.707 9.545 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.506 -0.524 9.580 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.345 -1.968 10.199 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.250 -0.497 11.198 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.908 -1.895 10.461 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.761 -0.397 10.013 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.714 -0.429 11.453 1.00 0.00 H ATOM 724 H VAL A 47 27.350 0.514 7.622 1.00 0.00 H ATOM 725 N HIS A 48 23.789 -1.353 6.848 1.00 9.22 N ATOM 726 CA HIS A 48 22.644 -1.060 5.983 1.00 9.81 C ATOM 727 C HIS A 48 21.366 -1.020 6.800 1.00 10.15 C ATOM 728 O HIS A 48 20.463 -1.850 6.621 1.00 11.28 O ATOM 729 CB HIS A 48 22.499 -2.117 4.878 1.00 9.38 C ATOM 730 CG HIS A 48 23.778 -2.453 4.185 1.00 10.15 C ATOM 731 ND1 HIS A 48 24.461 -1.544 3.403 1.00 11.74 N ATOM 732 CD2 HIS A 48 24.506 -3.595 4.159 1.00 9.93 C ATOM 733 CE1 HIS A 48 25.548 -2.117 2.917 1.00 11.95 C ATOM 734 NE2 HIS A 48 25.598 -3.362 3.359 1.00 10.78 N ATOM 735 HA HIS A 48 22.819 -0.088 5.521 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.102 -3.028 5.325 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.795 -1.742 4.135 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.270 -4.525 4.676 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.280 -1.643 2.262 1.00 0.00 H ATOM 740 H HIS A 48 23.939 -2.334 7.158 1.00 0.00 H ATOM 741 N GLU A 49 21.319 -0.079 7.732 1.00 10.37 N ATOM 742 CA GLU A 49 20.118 0.205 8.503 1.00 10.27 C ATOM 743 C GLU A 49 20.017 1.715 8.532 1.00 10.16 C ATOM 744 O GLU A 49 20.960 2.408 8.146 1.00 10.79 O ATOM 745 CB GLU A 49 20.212 -0.354 9.932 1.00 10.46 C ATOM 746 CG GLU A 49 20.425 -1.868 10.024 1.00 10.99 C ATOM 747 CD GLU A 49 19.258 -2.710 9.520 1.00 11.77 C ATOM 748 OE1 GLU A 49 18.143 -2.176 9.318 1.00 12.36 O ATOM 749 OE2 GLU A 49 19.462 -3.930 9.319 1.00 11.72 O ATOM 750 HA GLU A 49 19.242 -0.264 8.055 1.00 0.00 H ATOM 751 HB2 GLU A 49 21.047 0.136 10.432 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.285 -0.111 10.452 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.306 -2.123 9.436 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.601 -2.123 11.069 1.00 0.00 H ATOM 755 H GLU A 49 22.176 0.480 7.920 1.00 0.00 H ATOM 756 N SER A 50 18.880 2.231 8.977 1.00 9.79 N ATOM 757 CA SER A 50 18.687 3.669 9.028 1.00 9.77 C ATOM 758 C SER A 50 19.651 4.283 10.035 1.00 9.76 C ATOM 759 O SER A 50 20.065 3.624 11.000 1.00 9.62 O ATOM 760 CB SER A 50 17.242 4.003 9.392 1.00 9.55 C ATOM 761 OG SER A 50 16.968 3.695 10.751 1.00 9.81 O ATOM 762 HA SER A 50 18.893 4.089 8.043 1.00 0.00 H ATOM 763 HB2 SER A 50 16.572 3.425 8.755 1.00 0.00 H ATOM 764 HB3 SER A 50 17.071 5.067 9.227 1.00 0.00 H ATOM 765 HG SER A 50 16.026 3.922 10.956 1.00 0.00 H ATOM 766 H SER A 50 18.117 1.598 9.293 1.00 0.00 H ATOM 767 N LEU A 51 20.016 5.543 9.807 1.00 9.93 N ATOM 768 CA LEU A 51 20.845 6.259 10.771 1.00 9.78 C ATOM 769 C LEU A 51 20.192 6.258 12.152 1.00 9.85 C ATOM 770 O LEU A 51 20.876 6.069 13.160 1.00 9.71 O ATOM 771 CB LEU A 51 21.134 7.697 10.313 1.00 10.14 C ATOM 772 CG LEU A 51 22.021 8.515 11.264 1.00 10.61 C ATOM 773 CD1 LEU A 51 23.405 7.887 11.427 1.00 10.29 C ATOM 774 CD2 LEU A 51 22.139 9.956 10.804 1.00 10.15 C ATOM 775 HA LEU A 51 21.798 5.734 10.836 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.630 7.650 9.344 1.00 0.00 H ATOM 777 HB3 LEU A 51 20.182 8.217 10.208 1.00 0.00 H ATOM 778 HG LEU A 51 21.535 8.507 12.240 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.580 9.983 9.808 1.00 0.00 H ATOM 780 HD22 LEU A 51 21.148 10.410 10.776 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.773 10.507 11.499 1.00 0.00 H ATOM 782 HD11 LEU A 51 23.301 6.881 11.834 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.897 7.838 10.456 1.00 0.00 H ATOM 784 HD13 LEU A 51 24.001 8.496 12.107 1.00 0.00 H ATOM 785 H LEU A 51 19.708 6.020 8.936 1.00 0.00 H ATOM 786 N ALA A 52 18.878 6.463 12.200 1.00 9.96 N ATOM 787 CA ALA A 52 18.153 6.466 13.473 1.00 9.57 C ATOM 788 C ALA A 52 18.318 5.133 14.216 1.00 9.67 C ATOM 789 O ALA A 52 18.571 5.115 15.429 1.00 10.31 O ATOM 790 CB ALA A 52 16.673 6.796 13.253 1.00 9.97 C ATOM 791 HA ALA A 52 18.585 7.245 14.101 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.586 7.781 12.795 1.00 0.00 H ATOM 793 HB2 ALA A 52 16.229 6.048 12.596 1.00 0.00 H ATOM 794 HB3 ALA A 52 16.155 6.792 14.212 1.00 0.00 H ATOM 795 H ALA A 52 18.355 6.624 11.316 1.00 0.00 H ATOM 796 N ASP A 53 18.200 4.021 13.488 1.00 9.88 N ATOM 797 CA ASP A 53 18.340 2.691 14.102 1.00 10.02 C ATOM 798 C ASP A 53 19.744 2.444 14.655 1.00 9.97 C ATOM 799 O ASP A 53 19.887 1.821 15.711 1.00 9.45 O ATOM 800 CB ASP A 53 17.944 1.568 13.128 1.00 10.35 C ATOM 801 CG ASP A 53 16.438 1.368 13.038 1.00 11.94 C ATOM 802 OD1 ASP A 53 15.682 2.000 13.806 1.00 13.46 O ATOM 803 OD2 ASP A 53 16.000 0.570 12.191 1.00 13.35 O ATOM 804 HA ASP A 53 17.648 2.676 14.944 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.322 1.817 12.137 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.399 0.637 13.466 1.00 0.00 H ATOM 807 H ASP A 53 18.006 4.096 12.469 1.00 0.00 H ATOM 808 N VAL A 54 20.767 2.924 13.947 1.00 9.19 N ATOM 809 CA VAL A 54 22.147 2.731 14.397 1.00 9.15 C ATOM 810 C VAL A 54 22.427 3.650 15.592 1.00 8.61 C ATOM 811 O VAL A 54 23.039 3.230 16.579 1.00 8.88 O ATOM 812 CB VAL A 54 23.158 2.925 13.243 1.00 9.27 C ATOM 813 CG1 VAL A 54 24.598 2.840 13.744 1.00 10.86 C ATOM 814 CG2 VAL A 54 22.924 1.853 12.185 1.00 9.62 C ATOM 815 HA VAL A 54 22.275 1.700 14.727 1.00 0.00 H ATOM 816 HB VAL A 54 23.006 3.917 12.817 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.769 3.617 14.489 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.768 1.861 14.193 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.282 2.981 12.907 1.00 0.00 H ATOM 820 HG21 VAL A 54 23.062 0.868 12.631 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.908 1.940 11.800 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.635 1.987 11.370 1.00 0.00 H ATOM 823 H VAL A 54 20.582 3.442 13.064 1.00 0.00 H ATOM 824 N GLN A 55 21.953 4.893 15.515 1.00 8.47 N ATOM 825 CA GLN A 55 22.114 5.836 16.623 1.00 8.46 C ATOM 826 C GLN A 55 21.456 5.289 17.890 1.00 8.52 C ATOM 827 O GLN A 55 21.975 5.471 19.000 1.00 9.41 O ATOM 828 CB GLN A 55 21.539 7.211 16.264 1.00 8.12 C ATOM 829 CG GLN A 55 22.417 7.997 15.281 1.00 8.12 C ATOM 830 CD GLN A 55 21.773 9.292 14.784 1.00 9.01 C ATOM 831 OE1 GLN A 55 22.478 10.242 14.424 1.00 11.03 O ATOM 832 NE2 GLN A 55 20.442 9.322 14.723 1.00 9.03 N ATOM 833 HA GLN A 55 23.180 5.958 16.812 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.557 7.069 15.814 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.437 7.794 17.180 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.354 8.247 15.779 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.623 7.362 14.419 1.00 0.00 H ATOM 838 HE22 GLN A 55 19.888 8.499 15.037 1.00 0.00 H ATOM 839 HE21 GLN A 55 19.957 10.168 14.362 1.00 0.00 H ATOM 840 H GLN A 55 21.460 5.199 14.652 1.00 0.00 H ATOM 841 N ALA A 56 20.329 4.597 17.710 1.00 8.12 N ATOM 842 CA ALA A 56 19.577 3.997 18.822 1.00 8.42 C ATOM 843 C ALA A 56 20.408 2.984 19.607 1.00 8.18 C ATOM 844 O ALA A 56 20.145 2.744 20.781 1.00 8.41 O ATOM 845 CB ALA A 56 18.311 3.337 18.307 1.00 8.95 C ATOM 846 HA ALA A 56 19.317 4.806 19.504 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.687 4.084 17.817 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.574 2.557 17.593 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.766 2.898 19.143 1.00 0.00 H ATOM 850 H ALA A 56 19.967 4.477 16.742 1.00 0.00 H ATOM 851 N VAL A 57 21.404 2.384 18.961 1.00 7.38 N ATOM 852 CA VAL A 57 22.236 1.382 19.625 1.00 7.54 C ATOM 853 C VAL A 57 22.924 1.957 20.877 1.00 7.11 C ATOM 854 O VAL A 57 23.186 1.218 21.836 1.00 7.51 O ATOM 855 CB VAL A 57 23.246 0.730 18.647 1.00 7.53 C ATOM 856 CG1 VAL A 57 24.108 -0.318 19.352 1.00 7.26 C ATOM 857 CG2 VAL A 57 22.499 0.065 17.504 1.00 7.49 C ATOM 858 HA VAL A 57 21.575 0.585 19.965 1.00 0.00 H ATOM 859 HB VAL A 57 23.896 1.518 18.266 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.665 0.156 20.161 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.467 -1.099 19.760 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.805 -0.755 18.636 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.836 -0.703 17.903 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.912 0.813 16.971 1.00 0.00 H ATOM 865 HG23 VAL A 57 23.215 -0.391 16.820 1.00 0.00 H ATOM 866 H VAL A 57 21.594 2.631 17.969 1.00 0.00 H ATOM 867 N CYS A 58 23.173 3.268 20.887 1.00 7.20 N ATOM 868 CA CYS A 58 23.829 3.914 22.030 1.00 7.82 C ATOM 869 C CYS A 58 23.009 3.852 23.319 1.00 7.77 C ATOM 870 O CYS A 58 23.537 4.158 24.386 1.00 7.93 O ATOM 871 CB CYS A 58 24.192 5.370 21.723 1.00 7.79 C ATOM 872 SG CYS A 58 25.395 5.563 20.386 1.00 9.24 S ATOM 873 HA CYS A 58 24.741 3.340 22.196 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.608 5.817 22.626 1.00 0.00 H ATOM 875 HB3 CYS A 58 23.281 5.899 21.443 1.00 0.00 H ATOM 876 H CYS A 58 22.896 3.845 20.067 1.00 0.00 H ATOM 877 N SER A 59 21.732 3.467 23.210 1.00 8.40 N ATOM 878 CA SER A 59 20.844 3.277 24.370 1.00 8.73 C ATOM 879 C SER A 59 20.542 1.793 24.636 1.00 8.60 C ATOM 880 O SER A 59 19.687 1.464 25.467 1.00 8.68 O ATOM 881 CB SER A 59 19.528 4.031 24.154 1.00 9.44 C ATOM 882 OG SER A 59 18.722 3.362 23.188 1.00 13.03 O ATOM 883 HA SER A 59 21.366 3.674 25.241 1.00 0.00 H ATOM 884 HB2 SER A 59 19.746 5.040 23.803 1.00 0.00 H ATOM 885 HB3 SER A 59 18.986 4.085 25.098 1.00 0.00 H ATOM 886 HG SER A 59 19.211 3.314 22.328 1.00 0.00 H ATOM 887 H SER A 59 21.347 3.293 22.259 1.00 0.00 H ATOM 888 N GLN A 60 21.247 0.908 23.930 1.00 7.78 N ATOM 889 CA GLN A 60 20.961 -0.518 23.999 1.00 8.19 C ATOM 890 C GLN A 60 21.917 -1.233 24.979 1.00 7.92 C ATOM 891 O GLN A 60 22.136 -0.700 26.063 1.00 8.72 O ATOM 892 CB GLN A 60 20.843 -1.108 22.585 1.00 7.41 C ATOM 893 CG GLN A 60 19.650 -0.464 21.842 1.00 8.41 C ATOM 894 CD GLN A 60 19.442 -0.940 20.413 1.00 8.81 C ATOM 895 OE1 GLN A 60 19.968 -1.970 19.997 1.00 9.94 O ATOM 896 NE2 GLN A 60 18.653 -0.183 19.654 1.00 9.67 N ATOM 897 HA GLN A 60 19.980 -0.694 24.441 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.762 -0.910 22.033 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.687 -2.185 22.654 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.743 -0.684 22.406 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.810 0.614 21.818 1.00 0.00 H ATOM 902 HE22 GLN A 60 18.228 0.681 20.046 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.462 -0.456 18.669 1.00 0.00 H ATOM 904 H GLN A 60 22.017 1.244 23.317 1.00 0.00 H ATOM 905 N LYS A 61 22.459 -2.405 24.638 1.00 7.46 N ATOM 906 CA LYS A 61 23.158 -3.220 25.639 1.00 7.61 C ATOM 907 C LYS A 61 24.591 -2.729 25.850 1.00 6.94 C ATOM 908 O LYS A 61 25.411 -2.810 24.945 1.00 6.98 O ATOM 909 CB LYS A 61 23.155 -4.701 25.255 1.00 7.30 C ATOM 910 CG LYS A 61 23.817 -5.572 26.296 1.00 8.78 C ATOM 911 CD LYS A 61 23.961 -6.999 25.822 1.00 11.17 C ATOM 912 CE LYS A 61 24.619 -7.841 26.905 1.00 14.23 C ATOM 913 NZ LYS A 61 24.823 -9.249 26.461 1.00 16.72 N ATOM 914 HA LYS A 61 22.616 -3.112 26.578 1.00 0.00 H ATOM 915 HB2 LYS A 61 22.123 -5.028 25.131 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.688 -4.818 24.311 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.807 -5.171 26.515 1.00 0.00 H ATOM 918 HG3 LYS A 61 23.213 -5.560 27.203 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.975 -7.406 25.596 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.577 -7.021 24.923 1.00 0.00 H ATOM 921 HE2 LYS A 61 23.983 -7.838 27.790 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.587 -7.405 27.153 1.00 0.00 H ATOM 923 HZ1 LYS A 61 23.903 -9.675 26.228 1.00 0.00 H ATOM 924 HZ2 LYS A 61 25.434 -9.261 25.620 1.00 0.00 H ATOM 925 HZ3 LYS A 61 25.273 -9.791 27.226 1.00 0.00 H ATOM 926 H LYS A 61 22.385 -2.742 23.657 1.00 0.00 H ATOM 927 N ASN A 62 24.881 -2.223 27.046 1.00 6.65 N ATOM 928 CA ASN A 62 26.234 -1.757 27.370 1.00 6.22 C ATOM 929 C ASN A 62 27.186 -2.954 27.476 1.00 5.89 C ATOM 930 O ASN A 62 26.929 -3.900 28.230 1.00 6.79 O ATOM 931 CB ASN A 62 26.191 -0.953 28.683 1.00 6.34 C ATOM 932 CG ASN A 62 27.496 -0.201 29.001 1.00 6.49 C ATOM 933 OD1 ASN A 62 27.745 0.105 30.166 1.00 7.46 O ATOM 934 ND2 ASN A 62 28.302 0.122 27.984 1.00 6.84 N ATOM 935 HA ASN A 62 26.606 -1.106 26.579 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.384 -0.224 28.612 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.985 -1.643 29.501 1.00 0.00 H ATOM 938 HD22 ASN A 62 28.052 -0.157 27.014 1.00 0.00 H ATOM 939 HD21 ASN A 62 29.178 0.652 28.163 1.00 0.00 H ATOM 940 H ASN A 62 24.133 -2.156 27.766 1.00 0.00 H ATOM 941 N VAL A 63 28.268 -2.909 26.698 1.00 6.09 N ATOM 942 CA VAL A 63 29.284 -3.964 26.725 1.00 6.01 C ATOM 943 C VAL A 63 30.689 -3.352 26.738 1.00 5.65 C ATOM 944 O VAL A 63 30.883 -2.201 26.337 1.00 6.05 O ATOM 945 CB VAL A 63 29.145 -4.953 25.518 1.00 6.42 C ATOM 946 CG1 VAL A 63 27.793 -5.692 25.544 1.00 6.27 C ATOM 947 CG2 VAL A 63 29.365 -4.253 24.189 1.00 6.84 C ATOM 948 HA VAL A 63 29.126 -4.536 27.639 1.00 0.00 H ATOM 949 HB VAL A 63 29.931 -5.701 25.626 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.710 -6.263 26.469 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.982 -4.966 25.490 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.734 -6.369 24.692 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.626 -3.461 24.070 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.367 -3.824 24.167 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.260 -4.974 23.378 1.00 0.00 H ATOM 956 H VAL A 63 28.394 -2.102 26.054 1.00 0.00 H ATOM 957 N ALA A 64 31.665 -4.132 27.192 1.00 5.29 N ATOM 958 CA ALA A 64 33.053 -3.670 27.161 1.00 5.09 C ATOM 959 C ALA A 64 33.559 -3.524 25.724 1.00 5.30 C ATOM 960 O ALA A 64 33.333 -4.400 24.873 1.00 5.76 O ATOM 961 CB ALA A 64 33.938 -4.605 27.949 1.00 5.27 C ATOM 962 HA ALA A 64 33.090 -2.685 27.625 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.598 -4.639 28.984 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.886 -5.604 27.515 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.966 -4.245 27.915 1.00 0.00 H ATOM 966 H ALA A 64 31.441 -5.074 27.571 1.00 0.00 H ATOM 967 N CYS A 65 34.235 -2.407 25.455 1.00 5.38 N ATOM 968 CA CYS A 65 34.913 -2.222 24.167 1.00 5.22 C ATOM 969 C CYS A 65 36.160 -3.082 24.114 1.00 4.89 C ATOM 970 O CYS A 65 36.746 -3.396 25.146 1.00 4.90 O ATOM 971 CB CYS A 65 35.360 -0.769 24.005 1.00 5.41 C ATOM 972 SG CYS A 65 34.041 0.452 24.123 1.00 6.90 S ATOM 973 HA CYS A 65 34.214 -2.497 23.378 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.829 -0.667 23.027 1.00 0.00 H ATOM 975 HB3 CYS A 65 36.093 -0.552 24.782 1.00 0.00 H ATOM 976 H CYS A 65 34.283 -1.654 26.170 1.00 0.00 H ATOM 977 N LYS A 66 36.587 -3.425 22.906 1.00 5.08 N ATOM 978 CA LYS A 66 37.820 -4.195 22.734 1.00 5.34 C ATOM 979 C LYS A 66 39.033 -3.558 23.436 1.00 5.73 C ATOM 980 O LYS A 66 39.897 -4.272 23.951 1.00 6.21 O ATOM 981 CB LYS A 66 38.111 -4.425 21.245 1.00 5.77 C ATOM 982 CG LYS A 66 37.243 -5.502 20.619 1.00 6.93 C ATOM 983 CD LYS A 66 37.498 -5.631 19.130 1.00 11.22 C ATOM 984 CE LYS A 66 36.528 -6.628 18.504 1.00 12.74 C ATOM 985 NZ LYS A 66 36.567 -6.650 17.002 1.00 14.59 N ATOM 986 HA LYS A 66 37.655 -5.158 23.218 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.940 -3.490 20.711 1.00 0.00 H ATOM 988 HB3 LYS A 66 39.156 -4.718 21.138 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.461 -6.456 21.099 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.195 -5.248 20.778 1.00 0.00 H ATOM 991 HD2 LYS A 66 37.366 -4.657 18.658 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.520 -5.976 18.970 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.517 -6.368 18.818 1.00 0.00 H ATOM 994 HE3 LYS A 66 36.776 -7.625 18.869 1.00 0.00 H ATOM 995 HZ1 LYS A 66 36.321 -5.708 16.636 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.523 -6.908 16.685 1.00 0.00 H ATOM 997 HZ3 LYS A 66 35.883 -7.349 16.649 1.00 0.00 H ATOM 998 H LYS A 66 36.038 -3.143 22.069 1.00 0.00 H ATOM 999 N ASN A 67 39.075 -2.229 23.478 1.00 6.17 N ATOM 1000 CA ASN A 67 40.186 -1.519 24.109 1.00 7.08 C ATOM 1001 C ASN A 67 40.046 -1.395 25.626 1.00 6.76 C ATOM 1002 O ASN A 67 40.899 -0.795 26.279 1.00 8.06 O ATOM 1003 CB ASN A 67 40.376 -0.131 23.477 1.00 7.01 C ATOM 1004 CG ASN A 67 39.229 0.826 23.779 1.00 7.71 C ATOM 1005 OD1 ASN A 67 38.329 0.525 24.563 1.00 7.06 O ATOM 1006 ND2 ASN A 67 39.265 2.005 23.148 1.00 10.58 N ATOM 1007 HA ASN A 67 41.073 -2.126 23.927 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.300 0.302 23.861 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.454 -0.249 22.396 1.00 0.00 H ATOM 1010 HD22 ASN A 67 40.043 2.221 22.493 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.515 2.706 23.313 1.00 0.00 H ATOM 1012 H ASN A 67 38.299 -1.683 23.052 1.00 0.00 H ATOM 1013 N GLY A 68 38.971 -1.948 26.180 1.00 6.84 N ATOM 1014 CA GLY A 68 38.771 -1.915 27.623 1.00 6.61 C ATOM 1015 C GLY A 68 37.959 -0.742 28.138 1.00 6.59 C ATOM 1016 O GLY A 68 37.601 -0.705 29.322 1.00 6.63 O ATOM 1017 HA3 GLY A 68 39.751 -1.881 28.098 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.259 -2.833 27.913 1.00 0.00 H ATOM 1019 H GLY A 68 38.263 -2.411 25.575 1.00 0.00 H ATOM 1020 N GLN A 69 37.670 0.230 27.275 1.00 6.83 N ATOM 1021 CA GLN A 69 36.756 1.298 27.666 1.00 7.01 C ATOM 1022 C GLN A 69 35.342 0.743 27.819 1.00 6.87 C ATOM 1023 O GLN A 69 35.040 -0.346 27.322 1.00 7.39 O ATOM 1024 CB GLN A 69 36.772 2.434 26.637 1.00 7.29 C ATOM 1025 CG GLN A 69 38.090 3.192 26.590 1.00 8.87 C ATOM 1026 CD GLN A 69 38.396 3.895 27.895 1.00 10.77 C ATOM 1027 OE1 GLN A 69 39.127 3.367 28.733 1.00 12.19 O ATOM 1028 NE2 GLN A 69 37.825 5.085 28.084 1.00 12.56 N ATOM 1029 HA GLN A 69 37.086 1.702 28.623 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.583 2.009 25.651 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.978 3.138 26.887 1.00 0.00 H ATOM 1032 HG2 GLN A 69 38.893 2.487 26.375 1.00 0.00 H ATOM 1033 HG3 GLN A 69 38.039 3.936 25.795 1.00 0.00 H ATOM 1034 HE22 GLN A 69 37.214 5.492 27.347 1.00 0.00 H ATOM 1035 HE21 GLN A 69 37.990 5.606 28.969 1.00 0.00 H ATOM 1036 H GLN A 69 38.094 0.228 26.325 1.00 0.00 H ATOM 1037 N THR A 70 34.487 1.483 28.524 1.00 7.15 N ATOM 1038 CA THR A 70 33.179 0.968 28.923 1.00 7.88 C ATOM 1039 C THR A 70 32.014 1.577 28.143 1.00 7.50 C ATOM 1040 O THR A 70 30.850 1.369 28.498 1.00 8.34 O ATOM 1041 CB THR A 70 32.935 1.237 30.417 1.00 8.53 C ATOM 1042 OG1 THR A 70 33.045 2.644 30.656 1.00 10.98 O ATOM 1043 CG2 THR A 70 33.958 0.509 31.267 1.00 11.20 C ATOM 1044 HA THR A 70 33.209 -0.100 28.706 1.00 0.00 H ATOM 1045 HB THR A 70 31.941 0.879 30.684 1.00 0.00 H ATOM 1046 HG1 THR A 70 33.952 2.951 30.403 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.879 -0.564 31.089 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.958 0.850 31.001 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.769 0.719 32.320 1.00 0.00 H ATOM 1050 H THR A 70 34.757 2.450 28.797 1.00 0.00 H ATOM 1051 N ASN A 71 32.328 2.324 27.090 1.00 6.17 N ATOM 1052 CA ASN A 71 31.300 3.064 26.353 1.00 5.61 C ATOM 1053 C ASN A 71 30.862 2.395 25.037 1.00 5.74 C ATOM 1054 O ASN A 71 30.506 3.089 24.076 1.00 5.36 O ATOM 1055 CB ASN A 71 31.761 4.513 26.101 1.00 5.39 C ATOM 1056 CG ASN A 71 32.973 4.595 25.182 1.00 6.26 C ATOM 1057 OD1 ASN A 71 33.971 3.893 25.379 1.00 6.89 O ATOM 1058 ND2 ASN A 71 32.891 5.453 24.173 1.00 5.29 N ATOM 1059 HA ASN A 71 30.415 3.063 26.990 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.940 5.066 25.645 1.00 0.00 H ATOM 1061 HB3 ASN A 71 32.017 4.969 27.057 1.00 0.00 H ATOM 1062 HD22 ASN A 71 32.031 6.024 24.045 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.686 5.554 23.511 1.00 0.00 H ATOM 1064 H ASN A 71 33.320 2.385 26.784 1.00 0.00 H ATOM 1065 N CYS A 72 30.870 1.066 25.007 1.00 5.77 N ATOM 1066 CA CYS A 72 30.381 0.326 23.831 1.00 5.08 C ATOM 1067 C CYS A 72 28.992 -0.247 24.056 1.00 5.54 C ATOM 1068 O CYS A 72 28.589 -0.504 25.191 1.00 5.43 O ATOM 1069 CB CYS A 72 31.370 -0.757 23.409 1.00 6.11 C ATOM 1070 SG CYS A 72 32.802 -0.028 22.580 1.00 6.36 S ATOM 1071 HA CYS A 72 30.301 1.041 23.012 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.875 -1.448 22.727 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.706 -1.299 24.293 1.00 0.00 H ATOM 1074 H CYS A 72 31.228 0.539 25.829 1.00 0.00 H ATOM 1075 N TYR A 73 28.261 -0.438 22.958 1.00 5.44 N ATOM 1076 CA TYR A 73 26.857 -0.872 23.016 1.00 5.77 C ATOM 1077 C TYR A 73 26.592 -1.853 21.891 1.00 5.86 C ATOM 1078 O TYR A 73 27.013 -1.630 20.753 1.00 6.37 O ATOM 1079 CB TYR A 73 25.896 0.329 22.946 1.00 6.57 C ATOM 1080 CG TYR A 73 26.138 1.306 24.084 1.00 5.42 C ATOM 1081 CD1 TYR A 73 27.149 2.268 23.981 1.00 7.49 C ATOM 1082 CD2 TYR A 73 25.410 1.237 25.274 1.00 8.63 C ATOM 1083 CE1 TYR A 73 27.434 3.142 25.010 1.00 8.36 C ATOM 1084 CE2 TYR A 73 25.695 2.119 26.322 1.00 7.20 C ATOM 1085 CZ TYR A 73 26.715 3.070 26.171 1.00 7.61 C ATOM 1086 OH TYR A 73 27.041 3.972 27.170 1.00 8.69 O ATOM 1087 HA TYR A 73 26.677 -1.366 23.971 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.870 -0.035 23.004 1.00 0.00 H ATOM 1089 HB2 TYR A 73 26.044 0.846 21.998 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.619 0.495 25.386 1.00 0.00 H ATOM 1091 HE2 TYR A 73 25.127 2.067 27.251 1.00 0.00 H ATOM 1092 HE1 TYR A 73 28.225 3.883 24.898 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.729 2.329 23.060 1.00 0.00 H ATOM 1094 HH TYR A 73 27.783 4.550 26.862 1.00 0.00 H ATOM 1095 H TYR A 73 28.698 -0.275 22.029 1.00 0.00 H ATOM 1096 N GLN A 74 25.921 -2.947 22.233 1.00 5.61 N ATOM 1097 CA GLN A 74 25.576 -3.994 21.279 1.00 6.19 C ATOM 1098 C GLN A 74 24.093 -3.899 20.913 1.00 6.03 C ATOM 1099 O GLN A 74 23.240 -3.742 21.781 1.00 6.60 O ATOM 1100 CB GLN A 74 25.902 -5.363 21.889 1.00 5.88 C ATOM 1101 CG GLN A 74 25.606 -6.553 20.985 1.00 6.31 C ATOM 1102 CD GLN A 74 26.084 -7.859 21.602 1.00 7.73 C ATOM 1103 OE1 GLN A 74 27.198 -7.935 22.115 1.00 10.62 O ATOM 1104 NE2 GLN A 74 25.240 -8.884 21.565 1.00 10.75 N ATOM 1105 HA GLN A 74 26.159 -3.868 20.367 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.964 -5.380 22.136 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.316 -5.476 22.801 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.530 -6.613 20.819 1.00 0.00 H ATOM 1109 HG3 GLN A 74 26.112 -6.407 20.031 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.307 -8.773 21.120 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.513 -9.797 21.981 1.00 0.00 H ATOM 1112 H GLN A 74 25.629 -3.062 23.225 1.00 0.00 H ATOM 1113 N SER A 75 23.788 -3.978 19.618 1.00 5.61 N ATOM 1114 CA SER A 75 22.399 -3.913 19.164 1.00 6.13 C ATOM 1115 C SER A 75 21.602 -5.123 19.646 1.00 6.36 C ATOM 1116 O SER A 75 22.106 -6.245 19.628 1.00 6.42 O ATOM 1117 CB SER A 75 22.340 -3.787 17.632 1.00 5.66 C ATOM 1118 OG SER A 75 22.855 -4.930 16.960 1.00 6.80 O ATOM 1119 HA SER A 75 21.941 -3.025 19.599 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.922 -2.916 17.332 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.301 -3.648 17.334 1.00 0.00 H ATOM 1122 HG SER A 75 22.328 -5.728 17.217 1.00 0.00 H ATOM 1123 H SER A 75 24.550 -4.088 18.919 1.00 0.00 H ATOM 1124 N TYR A 76 20.361 -4.893 20.081 1.00 6.83 N ATOM 1125 CA TYR A 76 19.498 -5.995 20.532 1.00 7.36 C ATOM 1126 C TYR A 76 19.065 -6.880 19.365 1.00 8.12 C ATOM 1127 O TYR A 76 18.917 -8.088 19.523 1.00 7.88 O ATOM 1128 CB TYR A 76 18.271 -5.464 21.277 1.00 7.39 C ATOM 1129 CG TYR A 76 18.595 -4.897 22.636 1.00 7.03 C ATOM 1130 CD1 TYR A 76 19.287 -5.656 23.582 1.00 6.86 C ATOM 1131 CD2 TYR A 76 18.193 -3.615 22.986 1.00 7.95 C ATOM 1132 CE1 TYR A 76 19.580 -5.144 24.843 1.00 5.90 C ATOM 1133 CE2 TYR A 76 18.482 -3.092 24.250 1.00 7.39 C ATOM 1134 CZ TYR A 76 19.180 -3.857 25.162 1.00 7.80 C ATOM 1135 OH TYR A 76 19.478 -3.342 26.403 1.00 7.71 O ATOM 1136 HA TYR A 76 20.085 -6.604 21.220 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.562 -6.282 21.404 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.814 -4.679 20.675 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.645 -3.008 22.266 1.00 0.00 H ATOM 1140 HE2 TYR A 76 18.158 -2.085 24.514 1.00 0.00 H ATOM 1141 HE1 TYR A 76 20.119 -5.750 25.572 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.604 -6.668 23.329 1.00 0.00 H ATOM 1143 HH TYR A 76 19.978 -4.017 26.928 1.00 0.00 H ATOM 1144 H TYR A 76 19.999 -3.918 20.101 1.00 0.00 H ATOM 1145 N SER A 77 18.878 -6.264 18.201 1.00 9.41 N ATOM 1146 CA SER A 77 18.535 -6.984 16.973 1.00 10.78 C ATOM 1147 C SER A 77 19.741 -7.109 16.057 1.00 11.95 C ATOM 1148 O SER A 77 20.680 -6.306 16.124 1.00 11.30 O ATOM 1149 CB SER A 77 17.416 -6.256 16.229 1.00 10.96 C ATOM 1150 OG SER A 77 16.247 -6.178 17.019 1.00 11.90 O ATOM 1151 HA SER A 77 18.202 -7.982 17.256 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.189 -6.796 15.310 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.748 -5.247 15.984 1.00 0.00 H ATOM 1154 HG SER A 77 15.540 -5.703 16.514 1.00 0.00 H ATOM 1155 H SER A 77 18.979 -5.230 18.162 1.00 0.00 H ATOM 1156 N THR A 78 19.720 -8.117 15.192 1.00 13.86 N ATOM 1157 CA THR A 78 20.727 -8.198 14.143 1.00 15.16 C ATOM 1158 C THR A 78 20.484 -7.071 13.152 1.00 15.70 C ATOM 1159 O THR A 78 19.357 -6.572 12.991 1.00 16.84 O ATOM 1160 CB THR A 78 20.734 -9.551 13.396 1.00 15.30 C ATOM 1161 OG1 THR A 78 19.503 -9.719 12.676 1.00 16.77 O ATOM 1162 CG2 THR A 78 20.932 -10.714 14.372 1.00 15.55 C ATOM 1163 HA THR A 78 21.702 -8.108 14.621 1.00 0.00 H ATOM 1164 HB THR A 78 21.566 -9.550 12.692 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.403 -8.984 12.020 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.868 -10.577 14.913 1.00 0.00 H ATOM 1167 HG21 THR A 78 20.103 -10.739 15.079 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.966 -11.651 13.816 1.00 0.00 H ATOM 1169 H THR A 78 18.984 -8.849 15.264 1.00 0.00 H ATOM 1170 N MET A 79 21.560 -6.659 12.503 1.00 15.86 N ATOM 1171 CA MET A 79 21.483 -5.640 11.479 1.00 15.58 C ATOM 1172 C MET A 79 22.152 -6.144 10.216 1.00 15.61 C ATOM 1173 O MET A 79 23.061 -6.980 10.281 1.00 15.67 O ATOM 1174 CB MET A 79 22.147 -4.351 11.966 1.00 15.67 C ATOM 1175 CG MET A 79 21.446 -3.722 13.159 1.00 15.53 C ATOM 1176 SD MET A 79 22.116 -2.098 13.486 1.00 16.82 S ATOM 1177 CE MET A 79 20.811 -1.408 14.489 1.00 17.06 C ATOM 1178 HA MET A 79 20.437 -5.421 11.262 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.175 -4.578 12.249 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.147 -3.632 11.147 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.590 -4.354 14.035 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.381 -3.636 12.946 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.883 -1.395 13.917 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.680 -2.018 15.382 1.00 0.00 H ATOM 1185 HE3 MET A 79 21.076 -0.391 14.778 1.00 0.00 H ATOM 1186 H MET A 79 22.484 -7.077 12.734 1.00 0.00 H ATOM 1187 N SER A 80 21.699 -5.639 9.070 1.00 15.29 N ATOM 1188 CA SER A 80 22.315 -5.970 7.797 1.00 15.11 C ATOM 1189 C SER A 80 23.614 -5.183 7.668 1.00 15.26 C ATOM 1190 O SER A 80 23.623 -3.954 7.805 1.00 14.94 O ATOM 1191 CB SER A 80 21.375 -5.619 6.643 1.00 14.84 C ATOM 1192 OG SER A 80 22.026 -5.751 5.389 1.00 16.23 O ATOM 1193 HA SER A 80 22.520 -7.040 7.756 1.00 0.00 H ATOM 1194 HB2 SER A 80 21.036 -4.590 6.761 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.515 -6.288 6.669 1.00 0.00 H ATOM 1196 HG SER A 80 21.394 -5.518 4.664 1.00 0.00 H ATOM 1197 H SER A 80 20.885 -4.992 9.087 1.00 0.00 H ATOM 1198 N ILE A 81 24.708 -5.901 7.429 1.00 14.76 N ATOM 1199 CA ILE A 81 26.034 -5.278 7.330 1.00 15.12 C ATOM 1200 C ILE A 81 26.831 -5.853 6.167 1.00 15.21 C ATOM 1201 O ILE A 81 26.541 -6.947 5.685 1.00 15.51 O ATOM 1202 CB ILE A 81 26.869 -5.436 8.643 1.00 14.62 C ATOM 1203 CG1 ILE A 81 27.198 -6.911 8.933 1.00 15.12 C ATOM 1204 CG2 ILE A 81 26.152 -4.768 9.835 1.00 14.33 C ATOM 1205 CD1 ILE A 81 28.234 -7.129 10.040 1.00 15.72 C ATOM 1206 HA ILE A 81 25.853 -4.216 7.162 1.00 0.00 H ATOM 1207 HB ILE A 81 27.819 -4.922 8.496 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.276 -7.414 9.226 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.580 -7.361 8.017 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.170 -6.645 9.760 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.865 -6.698 10.971 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.402 -8.198 10.174 1.00 0.00 H ATOM 1213 HG21 ILE A 81 26.020 -3.706 9.629 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.178 -5.236 9.980 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.754 -4.892 10.735 1.00 0.00 H ATOM 1216 H ILE A 81 24.622 -6.930 7.309 1.00 0.00 H ATOM 1217 N THR A 82 27.843 -5.110 5.733 1.00 15.36 N ATOM 1218 CA THR A 82 28.817 -5.622 4.783 1.00 15.32 C ATOM 1219 C THR A 82 30.197 -5.422 5.384 1.00 15.33 C ATOM 1220 O THR A 82 30.568 -4.295 5.748 1.00 15.09 O ATOM 1221 CB THR A 82 28.720 -4.912 3.414 1.00 15.37 C ATOM 1222 OG1 THR A 82 27.423 -5.140 2.850 1.00 15.29 O ATOM 1223 CG2 THR A 82 29.779 -5.441 2.460 1.00 16.25 C ATOM 1224 HA THR A 82 28.620 -6.678 4.600 1.00 0.00 H ATOM 1225 HB THR A 82 28.881 -3.844 3.563 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.731 -4.779 3.460 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.768 -5.269 2.885 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.628 -6.510 2.308 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.698 -4.922 1.505 1.00 0.00 H ATOM 1230 H THR A 82 27.941 -4.135 6.082 1.00 0.00 H ATOM 1231 N ASP A 83 30.937 -6.519 5.527 1.00 15.06 N ATOM 1232 CA ASP A 83 32.335 -6.435 5.928 1.00 15.50 C ATOM 1233 C ASP A 83 33.220 -6.330 4.696 1.00 15.20 C ATOM 1234 O ASP A 83 33.019 -7.055 3.709 1.00 15.14 O ATOM 1235 CB ASP A 83 32.747 -7.650 6.755 1.00 15.40 C ATOM 1236 CG ASP A 83 32.145 -7.640 8.139 1.00 16.79 C ATOM 1237 OD1 ASP A 83 32.099 -6.563 8.756 1.00 16.42 O ATOM 1238 OD2 ASP A 83 31.726 -8.718 8.614 1.00 18.43 O ATOM 1239 HA ASP A 83 32.457 -5.545 6.545 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.420 -8.552 6.238 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.833 -7.659 6.846 1.00 0.00 H ATOM 1242 H ASP A 83 30.510 -7.451 5.350 1.00 0.00 H ATOM 1243 N CYS A 84 34.192 -5.418 4.764 1.00 15.62 N ATOM 1244 CA CYS A 84 35.195 -5.259 3.719 1.00 15.92 C ATOM 1245 C CYS A 84 36.556 -5.614 4.276 1.00 16.40 C ATOM 1246 O CYS A 84 37.011 -5.015 5.241 1.00 16.27 O ATOM 1247 CB CYS A 84 35.213 -3.828 3.185 1.00 15.68 C ATOM 1248 SG CYS A 84 33.642 -3.301 2.520 1.00 15.31 S ATOM 1249 HA CYS A 84 34.945 -5.925 2.893 1.00 0.00 H ATOM 1250 HB2 CYS A 84 35.962 -3.762 2.396 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.486 -3.158 4.000 1.00 0.00 H ATOM 1252 H CYS A 84 34.235 -4.796 5.596 1.00 0.00 H ATOM 1253 N ARG A 85 37.207 -6.590 3.653 1.00 17.10 N ATOM 1254 CA ARG A 85 38.468 -7.103 4.161 1.00 18.07 C ATOM 1255 C ARG A 85 39.499 -7.108 3.038 1.00 18.28 C ATOM 1256 O ARG A 85 39.273 -7.716 1.990 1.00 18.39 O ATOM 1257 CB ARG A 85 38.256 -8.512 4.716 1.00 18.53 C ATOM 1258 CG ARG A 85 39.359 -9.021 5.622 1.00 20.27 C ATOM 1259 CD ARG A 85 38.948 -10.336 6.265 1.00 23.49 C ATOM 1260 NE ARG A 85 40.093 -11.108 6.750 1.00 25.13 N ATOM 1261 CZ ARG A 85 40.003 -12.275 7.385 1.00 26.09 C ATOM 1262 NH1 ARG A 85 38.816 -12.824 7.628 1.00 26.93 N ATOM 1263 NH2 ARG A 85 41.106 -12.896 7.785 1.00 26.66 N ATOM 1264 HA ARG A 85 38.836 -6.467 4.966 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.325 -8.515 5.283 1.00 0.00 H ATOM 1266 HB3 ARG A 85 38.169 -9.197 3.873 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.265 -9.175 5.035 1.00 0.00 H ATOM 1268 HG3 ARG A 85 39.553 -8.284 6.402 1.00 0.00 H ATOM 1269 HD2 ARG A 85 38.411 -10.933 5.527 1.00 0.00 H ATOM 1270 HD3 ARG A 85 38.289 -10.122 7.107 1.00 0.00 H ATOM 1271 HE ARG A 85 41.043 -10.718 6.587 1.00 0.00 H ATOM 1272 HH12 ARG A 85 38.757 -13.736 8.125 1.00 0.00 H ATOM 1273 HH11 ARG A 85 37.947 -12.341 7.321 1.00 0.00 H ATOM 1274 HH22 ARG A 85 41.039 -13.808 8.281 1.00 0.00 H ATOM 1275 HH21 ARG A 85 42.037 -12.471 7.602 1.00 0.00 H ATOM 1276 H ARG A 85 36.806 -6.995 2.783 1.00 0.00 H ATOM 1277 N GLU A 86 40.616 -6.419 3.260 1.00 18.62 N ATOM 1278 CA GLU A 86 41.660 -6.281 2.241 1.00 19.18 C ATOM 1279 C GLU A 86 42.237 -7.638 1.837 1.00 19.13 C ATOM 1280 O GLU A 86 42.629 -8.431 2.695 1.00 19.41 O ATOM 1281 CB GLU A 86 42.778 -5.352 2.728 1.00 19.16 C ATOM 1282 CG GLU A 86 43.784 -5.010 1.646 1.00 19.61 C ATOM 1283 CD GLU A 86 44.976 -4.213 2.135 1.00 19.32 C ATOM 1284 OE1 GLU A 86 45.645 -3.603 1.282 1.00 18.46 O ATOM 1285 OE2 GLU A 86 45.252 -4.192 3.354 1.00 20.27 O ATOM 1286 HA GLU A 86 41.196 -5.839 1.359 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.328 -4.427 3.088 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.303 -5.842 3.548 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.150 -5.941 1.212 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.275 -4.428 0.878 1.00 0.00 H ATOM 1291 H GLU A 86 40.752 -5.964 4.185 1.00 0.00 H ATOM 1292 N THR A 87 42.273 -7.898 0.529 1.00 19.33 N ATOM 1293 CA THR A 87 42.840 -9.137 -0.014 1.00 19.41 C ATOM 1294 C THR A 87 44.353 -9.192 0.201 1.00 19.63 C ATOM 1295 O THR A 87 44.999 -8.162 0.426 1.00 19.82 O ATOM 1296 CB THR A 87 42.556 -9.301 -1.532 1.00 19.35 C ATOM 1297 OG1 THR A 87 43.226 -8.268 -2.267 1.00 19.14 O ATOM 1298 CG2 THR A 87 41.059 -9.260 -1.827 1.00 19.38 C ATOM 1299 HA THR A 87 42.354 -9.950 0.526 1.00 0.00 H ATOM 1300 HB THR A 87 42.934 -10.275 -1.842 1.00 0.00 H ATOM 1301 HG1 THR A 87 42.897 -7.384 -1.966 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.557 -10.048 -1.265 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.658 -8.290 -1.532 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.896 -9.413 -2.894 1.00 0.00 H ATOM 1305 H THR A 87 41.884 -7.195 -0.131 1.00 0.00 H ATOM 1306 N GLY A 88 44.910 -10.397 0.126 1.00 19.80 N ATOM 1307 CA GLY A 88 46.347 -10.597 0.280 1.00 20.02 C ATOM 1308 C GLY A 88 47.171 -10.016 -0.856 1.00 20.13 C ATOM 1309 O GLY A 88 48.351 -9.716 -0.677 1.00 20.23 O ATOM 1310 HA3 GLY A 88 46.542 -11.668 0.333 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.662 -10.125 1.210 1.00 0.00 H ATOM 1312 H GLY A 88 44.302 -11.223 -0.048 1.00 0.00 H ATOM 1313 N SER A 89 46.542 -9.848 -2.020 1.00 20.21 N ATOM 1314 CA SER A 89 47.220 -9.364 -3.225 1.00 20.12 C ATOM 1315 C SER A 89 47.011 -7.866 -3.446 1.00 19.95 C ATOM 1316 O SER A 89 47.575 -7.282 -4.380 1.00 19.98 O ATOM 1317 CB SER A 89 46.737 -10.142 -4.451 1.00 20.24 C ATOM 1318 OG SER A 89 45.336 -9.994 -4.617 1.00 20.74 O ATOM 1319 HA SER A 89 48.288 -9.529 -3.081 1.00 0.00 H ATOM 1320 HB2 SER A 89 46.973 -11.198 -4.321 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.245 -9.764 -5.338 1.00 0.00 H ATOM 1322 HG SER A 89 44.871 -10.340 -3.814 1.00 0.00 H ATOM 1323 H SER A 89 45.527 -10.070 -2.074 1.00 0.00 H ATOM 1324 N SER A 90 46.194 -7.260 -2.584 1.00 19.81 N ATOM 1325 CA SER A 90 45.911 -5.828 -2.620 1.00 19.62 C ATOM 1326 C SER A 90 47.179 -5.011 -2.386 1.00 19.60 C ATOM 1327 O SER A 90 47.908 -5.244 -1.417 1.00 19.91 O ATOM 1328 CB SER A 90 44.852 -5.475 -1.573 1.00 19.61 C ATOM 1329 OG SER A 90 44.712 -4.073 -1.412 1.00 19.35 O ATOM 1330 HA SER A 90 45.529 -5.581 -3.611 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.142 -5.912 -0.617 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.894 -5.891 -1.886 1.00 0.00 H ATOM 1333 HG SER A 90 45.576 -3.687 -1.121 1.00 0.00 H ATOM 1334 H SER A 90 45.735 -7.836 -1.849 1.00 0.00 H ATOM 1335 N LYS A 91 47.440 -4.070 -3.290 1.00 19.26 N ATOM 1336 CA LYS A 91 48.598 -3.187 -3.177 1.00 19.08 C ATOM 1337 C LYS A 91 48.208 -1.738 -3.438 1.00 18.79 C ATOM 1338 O LYS A 91 47.755 -1.392 -4.532 1.00 18.83 O ATOM 1339 CB LYS A 91 49.714 -3.617 -4.138 1.00 19.25 C ATOM 1340 CG LYS A 91 50.339 -4.973 -3.824 1.00 19.96 C ATOM 1341 CD LYS A 91 51.389 -4.880 -2.718 1.00 21.59 C ATOM 1342 CE LYS A 91 51.979 -6.252 -2.376 1.00 21.74 C ATOM 1343 NZ LYS A 91 52.643 -6.931 -3.524 1.00 22.77 N ATOM 1344 HA LYS A 91 48.973 -3.265 -2.156 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.298 -3.660 -5.145 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.501 -2.864 -4.103 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.553 -5.657 -3.506 1.00 0.00 H ATOM 1348 HG3 LYS A 91 50.812 -5.360 -4.727 1.00 0.00 H ATOM 1349 HD2 LYS A 91 52.193 -4.223 -3.049 1.00 0.00 H ATOM 1350 HD3 LYS A 91 50.925 -4.463 -1.825 1.00 0.00 H ATOM 1351 HE2 LYS A 91 51.173 -6.892 -2.019 1.00 0.00 H ATOM 1352 HE3 LYS A 91 52.715 -6.120 -1.583 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 51.951 -7.076 -4.287 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 53.424 -6.339 -3.871 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 53.015 -7.851 -3.213 1.00 0.00 H ATOM 1356 H LYS A 91 46.800 -3.960 -4.102 1.00 0.00 H ATOM 1357 N TYR A 92 48.380 -0.905 -2.415 1.00 18.43 N ATOM 1358 CA TYR A 92 48.155 0.536 -2.502 1.00 18.05 C ATOM 1359 C TYR A 92 48.928 1.114 -3.686 1.00 18.05 C ATOM 1360 O TYR A 92 50.076 0.730 -3.906 1.00 17.46 O ATOM 1361 CB TYR A 92 48.596 1.202 -1.192 1.00 18.15 C ATOM 1362 CG TYR A 92 48.443 2.708 -1.157 1.00 18.04 C ATOM 1363 CD1 TYR A 92 47.252 3.295 -0.733 1.00 17.74 C ATOM 1364 CD2 TYR A 92 49.491 3.549 -1.543 1.00 18.10 C ATOM 1365 CE1 TYR A 92 47.103 4.676 -0.696 1.00 18.43 C ATOM 1366 CE2 TYR A 92 49.351 4.935 -1.506 1.00 18.36 C ATOM 1367 CZ TYR A 92 48.154 5.490 -1.082 1.00 18.68 C ATOM 1368 OH TYR A 92 48.004 6.857 -1.039 1.00 18.91 O ATOM 1369 HA TYR A 92 47.094 0.731 -2.657 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.647 0.965 -1.029 1.00 0.00 H ATOM 1371 HB2 TYR A 92 48.000 0.782 -0.382 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.432 3.114 -1.878 1.00 0.00 H ATOM 1373 HE2 TYR A 92 50.177 5.578 -1.808 1.00 0.00 H ATOM 1374 HE1 TYR A 92 46.163 5.116 -0.364 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.422 2.659 -0.425 1.00 0.00 H ATOM 1376 HH TYR A 92 47.095 7.078 -0.715 1.00 0.00 H ATOM 1377 H TYR A 92 48.691 -1.301 -1.505 1.00 0.00 H ATOM 1378 N PRO A 93 48.314 2.043 -4.446 1.00 18.01 N ATOM 1379 CA PRO A 93 47.007 2.685 -4.265 1.00 18.10 C ATOM 1380 C PRO A 93 45.819 1.891 -4.832 1.00 18.07 C ATOM 1381 O PRO A 93 44.684 2.372 -4.787 1.00 18.47 O ATOM 1382 CB PRO A 93 47.176 3.996 -5.029 1.00 18.06 C ATOM 1383 CG PRO A 93 48.074 3.630 -6.162 1.00 18.24 C ATOM 1384 CD PRO A 93 49.000 2.553 -5.651 1.00 18.05 C ATOM 1385 HA PRO A 93 46.763 2.787 -3.207 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.124 1.763 -6.392 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.976 2.967 -5.397 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.649 4.499 -6.482 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.487 3.255 -7.001 1.00 0.00 H ATOM 1390 HB2 PRO A 93 46.216 4.360 -5.395 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.635 4.757 -4.399 1.00 0.00 H ATOM 1392 N ASN A 94 46.082 0.698 -5.358 1.00 18.01 N ATOM 1393 CA ASN A 94 45.036 -0.147 -5.927 1.00 18.35 C ATOM 1394 C ASN A 94 44.496 -1.120 -4.885 1.00 17.99 C ATOM 1395 O ASN A 94 44.697 -2.333 -4.982 1.00 18.42 O ATOM 1396 CB ASN A 94 45.551 -0.895 -7.162 1.00 18.44 C ATOM 1397 CG ASN A 94 46.006 0.042 -8.269 1.00 18.84 C ATOM 1398 OD1 ASN A 94 47.154 -0.018 -8.715 1.00 20.84 O ATOM 1399 ND2 ASN A 94 45.109 0.914 -8.715 1.00 19.76 N ATOM 1400 HA ASN A 94 44.215 0.497 -6.242 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.394 -1.520 -6.865 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.750 -1.526 -7.547 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.152 0.929 -8.309 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.364 1.582 -9.470 1.00 0.00 H ATOM 1405 H ASN A 94 47.064 0.356 -5.364 1.00 0.00 H ATOM 1406 N CYS A 95 43.807 -0.575 -3.887 1.00 18.03 N ATOM 1407 CA CYS A 95 43.317 -1.366 -2.771 1.00 17.34 C ATOM 1408 C CYS A 95 42.201 -2.306 -3.213 1.00 17.05 C ATOM 1409 O CYS A 95 41.254 -1.885 -3.880 1.00 17.36 O ATOM 1410 CB CYS A 95 42.844 -0.449 -1.641 1.00 17.31 C ATOM 1411 SG CYS A 95 44.131 0.692 -1.060 1.00 16.91 S ATOM 1412 HA CYS A 95 44.137 -1.980 -2.399 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.525 -1.068 -0.802 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.998 0.137 -2.001 1.00 0.00 H ATOM 1415 H CYS A 95 43.613 0.447 -3.906 1.00 0.00 H ATOM 1416 N ALA A 96 42.330 -3.577 -2.843 1.00 17.01 N ATOM 1417 CA ALA A 96 41.370 -4.609 -3.241 1.00 16.81 C ATOM 1418 C ALA A 96 40.750 -5.272 -2.019 1.00 16.94 C ATOM 1419 O ALA A 96 41.448 -5.561 -1.043 1.00 16.63 O ATOM 1420 CB ALA A 96 42.034 -5.650 -4.133 1.00 17.10 C ATOM 1421 HA ALA A 96 40.575 -4.127 -3.810 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.421 -5.165 -5.029 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.853 -6.122 -3.591 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.301 -6.406 -4.415 1.00 0.00 H ATOM 1425 H ALA A 96 43.141 -3.847 -2.250 1.00 0.00 H ATOM 1426 N TYR A 97 39.442 -5.517 -2.091 1.00 16.80 N ATOM 1427 CA TYR A 97 38.669 -5.996 -0.950 1.00 16.75 C ATOM 1428 C TYR A 97 37.732 -7.141 -1.283 1.00 17.19 C ATOM 1429 O TYR A 97 37.173 -7.212 -2.377 1.00 16.98 O ATOM 1430 CB TYR A 97 37.838 -4.853 -0.362 1.00 16.21 C ATOM 1431 CG TYR A 97 38.681 -3.777 0.258 1.00 15.40 C ATOM 1432 CD1 TYR A 97 39.171 -2.722 -0.510 1.00 15.87 C ATOM 1433 CD2 TYR A 97 39.020 -3.830 1.607 1.00 15.00 C ATOM 1434 CE1 TYR A 97 39.966 -1.739 0.050 1.00 15.72 C ATOM 1435 CE2 TYR A 97 39.813 -2.851 2.180 1.00 14.31 C ATOM 1436 CZ TYR A 97 40.289 -1.809 1.392 1.00 15.01 C ATOM 1437 OH TYR A 97 41.078 -0.830 1.946 1.00 14.18 O ATOM 1438 HA TYR A 97 39.401 -6.368 -0.233 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.177 -5.261 0.402 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.241 -4.411 -1.159 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.656 -4.654 2.221 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.062 -2.896 3.240 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.335 -0.916 -0.562 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.923 -2.671 -1.570 1.00 0.00 H ATOM 1445 HH TYR A 97 40.578 -0.374 2.668 1.00 0.00 H ATOM 1446 H TYR A 97 38.953 -5.361 -2.996 1.00 0.00 H ATOM 1447 N LYS A 98 37.567 -8.030 -0.311 1.00 17.58 N ATOM 1448 CA LYS A 98 36.528 -9.044 -0.348 1.00 18.45 C ATOM 1449 C LYS A 98 35.260 -8.449 0.273 1.00 18.43 C ATOM 1450 O LYS A 98 35.311 -7.850 1.357 1.00 18.97 O ATOM 1451 CB LYS A 98 37.005 -10.280 0.416 1.00 18.33 C ATOM 1452 CG LYS A 98 36.004 -11.423 0.531 1.00 19.05 C ATOM 1453 CD LYS A 98 36.666 -12.673 1.119 1.00 19.84 C ATOM 1454 CE LYS A 98 37.210 -12.449 2.538 1.00 21.81 C ATOM 1455 NZ LYS A 98 36.145 -12.182 3.548 1.00 23.03 N ATOM 1456 HA LYS A 98 36.308 -9.350 -1.371 1.00 0.00 H ATOM 1457 HB2 LYS A 98 37.892 -10.663 -0.089 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.270 -9.966 1.426 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.183 -11.115 1.179 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.615 -11.658 -0.460 1.00 0.00 H ATOM 1461 HD2 LYS A 98 35.929 -13.475 1.151 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.492 -12.967 0.472 1.00 0.00 H ATOM 1463 HE2 LYS A 98 37.888 -11.596 2.517 1.00 0.00 H ATOM 1464 HE3 LYS A 98 37.759 -13.340 2.842 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 35.618 -11.327 3.277 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 35.495 -12.993 3.587 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 36.582 -12.041 4.481 1.00 0.00 H ATOM 1468 H LYS A 98 38.206 -7.999 0.509 1.00 0.00 H ATOM 1469 N THR A 99 34.140 -8.582 -0.439 1.00 18.55 N ATOM 1470 CA THR A 99 32.836 -8.100 0.018 1.00 18.10 C ATOM 1471 C THR A 99 32.009 -9.245 0.598 1.00 18.49 C ATOM 1472 O THR A 99 31.638 -10.176 -0.124 1.00 18.40 O ATOM 1473 CB THR A 99 32.041 -7.417 -1.129 1.00 18.39 C ATOM 1474 OG1 THR A 99 32.746 -6.253 -1.574 1.00 17.77 O ATOM 1475 CG2 THR A 99 30.637 -7.008 -0.670 1.00 17.44 C ATOM 1476 HA THR A 99 33.024 -7.359 0.795 1.00 0.00 H ATOM 1477 HB THR A 99 31.942 -8.135 -1.944 1.00 0.00 H ATOM 1478 HG1 THR A 99 33.641 -6.517 -1.905 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.096 -7.891 -0.330 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.718 -6.292 0.148 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.103 -6.551 -1.503 1.00 0.00 H ATOM 1482 H THR A 99 34.196 -9.052 -1.365 1.00 0.00 H ATOM 1483 N THR A 100 31.729 -9.175 1.901 1.00 18.75 N ATOM 1484 CA THR A 100 30.889 -10.183 2.551 1.00 19.12 C ATOM 1485 C THR A 100 29.722 -9.579 3.320 1.00 18.93 C ATOM 1486 O THR A 100 29.906 -8.773 4.237 1.00 19.44 O ATOM 1487 CB THR A 100 31.683 -11.133 3.486 1.00 19.16 C ATOM 1488 OG1 THR A 100 32.293 -10.389 4.545 1.00 21.23 O ATOM 1489 CG2 THR A 100 32.741 -11.899 2.718 1.00 19.23 C ATOM 1490 HA THR A 100 30.492 -10.772 1.724 1.00 0.00 H ATOM 1491 HB THR A 100 30.981 -11.851 3.909 1.00 0.00 H ATOM 1492 HG1 THR A 100 31.591 -9.929 5.070 1.00 0.00 H ATOM 1493 HG23 THR A 100 32.268 -12.462 1.914 1.00 0.00 H ATOM 1494 HG21 THR A 100 33.462 -11.198 2.297 1.00 0.00 H ATOM 1495 HG22 THR A 100 33.252 -12.586 3.393 1.00 0.00 H ATOM 1496 H THR A 100 32.114 -8.391 2.465 1.00 0.00 H ATOM 1497 N GLN A 101 28.524 -9.982 2.918 1.00 18.59 N ATOM 1498 CA GLN A 101 27.288 -9.596 3.574 1.00 18.58 C ATOM 1499 C GLN A 101 27.018 -10.503 4.781 1.00 17.62 C ATOM 1500 O GLN A 101 27.291 -11.703 4.749 1.00 17.62 O ATOM 1501 CB GLN A 101 26.137 -9.692 2.565 1.00 18.92 C ATOM 1502 CG GLN A 101 24.753 -9.349 3.099 1.00 20.70 C ATOM 1503 CD GLN A 101 24.632 -7.925 3.598 1.00 21.83 C ATOM 1504 OE1 GLN A 101 25.304 -7.013 3.103 1.00 23.82 O ATOM 1505 NE2 GLN A 101 23.764 -7.723 4.584 1.00 20.60 N ATOM 1506 HA GLN A 101 27.372 -8.571 3.934 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.356 -9.011 1.743 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.106 -10.715 2.190 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.028 -9.497 2.299 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.524 -10.024 3.924 1.00 0.00 H ATOM 1511 HE22 GLN A 101 23.220 -8.521 4.970 1.00 0.00 H ATOM 1512 HE21 GLN A 101 23.629 -6.767 4.970 1.00 0.00 H ATOM 1513 H GLN A 101 28.467 -10.608 2.089 1.00 0.00 H ATOM 1514 N ALA A 102 26.475 -9.921 5.844 1.00 16.67 N ATOM 1515 CA ALA A 102 26.085 -10.682 7.026 1.00 16.06 C ATOM 1516 C ALA A 102 24.905 -10.013 7.717 1.00 15.43 C ATOM 1517 O ALA A 102 24.601 -8.849 7.452 1.00 15.64 O ATOM 1518 CB ALA A 102 27.269 -10.806 7.998 1.00 16.66 C ATOM 1519 HA ALA A 102 25.787 -11.682 6.712 1.00 0.00 H ATOM 1520 HB1 ALA A 102 28.093 -11.318 7.501 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.591 -9.811 8.306 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.960 -11.377 8.874 1.00 0.00 H ATOM 1523 H ALA A 102 26.323 -8.892 5.834 1.00 0.00 H ATOM 1524 N ASN A 103 24.244 -10.761 8.596 1.00 14.69 N ATOM 1525 CA ASN A 103 23.250 -10.202 9.506 1.00 14.35 C ATOM 1526 C ASN A 103 23.686 -10.539 10.909 1.00 13.86 C ATOM 1527 O ASN A 103 23.663 -11.699 11.316 1.00 13.59 O ATOM 1528 CB ASN A 103 21.849 -10.735 9.201 1.00 14.86 C ATOM 1529 CG ASN A 103 21.342 -10.261 7.861 1.00 16.33 C ATOM 1530 OD1 ASN A 103 20.702 -9.215 7.763 1.00 18.80 O ATOM 1531 ND2 ASN A 103 21.662 -11.009 6.810 1.00 19.42 N ATOM 1532 HA ASN A 103 23.188 -9.121 9.384 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.879 -11.825 9.201 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.165 -10.392 9.977 1.00 0.00 H ATOM 1535 HD22 ASN A 103 22.205 -11.886 6.942 1.00 0.00 H ATOM 1536 HD21 ASN A 103 21.370 -10.717 5.856 1.00 0.00 H ATOM 1537 H ASN A 103 24.443 -11.781 8.636 1.00 0.00 H ATOM 1538 N LYS A 104 24.129 -9.513 11.630 1.00 12.78 N ATOM 1539 CA LYS A 104 24.769 -9.693 12.923 1.00 12.24 C ATOM 1540 C LYS A 104 24.454 -8.532 13.856 1.00 11.23 C ATOM 1541 O LYS A 104 24.006 -7.462 13.421 1.00 11.51 O ATOM 1542 CB LYS A 104 26.288 -9.791 12.743 1.00 12.74 C ATOM 1543 CG LYS A 104 26.769 -11.126 12.170 1.00 14.34 C ATOM 1544 CD LYS A 104 28.259 -11.113 11.917 1.00 17.84 C ATOM 1545 CE LYS A 104 29.037 -11.363 13.195 1.00 19.02 C ATOM 1546 NZ LYS A 104 30.514 -11.360 12.970 1.00 21.73 N ATOM 1547 HA LYS A 104 24.384 -10.613 13.364 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.604 -8.996 12.068 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.757 -9.648 13.716 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.536 -11.921 12.879 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.251 -11.316 11.230 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.504 -11.891 11.194 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.542 -10.141 11.513 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.746 -12.333 13.599 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.790 -10.582 13.914 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.761 -12.107 12.290 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.804 -10.436 12.592 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 31.001 -11.535 13.872 1.00 0.00 H ATOM 1559 H LYS A 104 24.014 -8.549 11.256 1.00 0.00 H ATOM 1560 N HIS A 105 24.675 -8.752 15.147 1.00 9.16 N ATOM 1561 CA HIS A 105 24.563 -7.674 16.116 1.00 8.34 C ATOM 1562 C HIS A 105 25.808 -6.819 16.011 1.00 7.79 C ATOM 1563 O HIS A 105 26.924 -7.346 15.967 1.00 8.52 O ATOM 1564 CB HIS A 105 24.428 -8.233 17.528 1.00 8.24 C ATOM 1565 CG HIS A 105 23.263 -9.158 17.692 1.00 8.09 C ATOM 1566 ND1 HIS A 105 22.046 -8.743 18.185 1.00 9.11 N ATOM 1567 CD2 HIS A 105 23.121 -10.472 17.396 1.00 8.99 C ATOM 1568 CE1 HIS A 105 21.210 -9.765 18.205 1.00 8.79 C ATOM 1569 NE2 HIS A 105 21.837 -10.827 17.733 1.00 9.25 N ATOM 1570 HA HIS A 105 23.674 -7.078 15.907 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.340 -8.778 17.773 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.308 -7.399 18.220 1.00 0.00 H ATOM 1573 HD2 HIS A 105 23.882 -11.125 16.970 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.177 -9.737 18.552 1.00 0.00 H ATOM 1575 H HIS A 105 24.931 -9.707 15.469 1.00 0.00 H ATOM 1576 N ILE A 106 25.626 -5.506 15.950 1.00 6.81 N ATOM 1577 CA ILE A 106 26.789 -4.609 15.889 1.00 6.09 C ATOM 1578 C ILE A 106 27.166 -4.095 17.280 1.00 5.69 C ATOM 1579 O ILE A 106 26.323 -3.996 18.172 1.00 5.19 O ATOM 1580 CB ILE A 106 26.590 -3.414 14.905 1.00 6.40 C ATOM 1581 CG1 ILE A 106 25.536 -2.430 15.434 1.00 7.47 C ATOM 1582 CG2 ILE A 106 26.244 -3.928 13.494 1.00 6.89 C ATOM 1583 CD1 ILE A 106 25.444 -1.134 14.659 1.00 6.38 C ATOM 1584 HA ILE A 106 27.610 -5.209 15.498 1.00 0.00 H ATOM 1585 HB ILE A 106 27.529 -2.864 14.834 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.563 -2.920 15.396 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.781 -2.192 16.469 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.405 -0.621 14.696 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.186 -1.350 13.622 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.675 -0.501 15.102 1.00 0.00 H ATOM 1591 HG21 ILE A 106 27.056 -4.557 13.129 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.323 -4.510 13.536 1.00 0.00 H ATOM 1593 HG23 ILE A 106 26.109 -3.080 12.823 1.00 0.00 H ATOM 1594 H ILE A 106 24.663 -5.113 15.945 1.00 0.00 H ATOM 1595 N ILE A 107 28.444 -3.781 17.463 1.00 4.80 N ATOM 1596 CA ILE A 107 28.920 -3.150 18.694 1.00 5.57 C ATOM 1597 C ILE A 107 29.604 -1.844 18.307 1.00 6.32 C ATOM 1598 O ILE A 107 30.541 -1.851 17.504 1.00 6.47 O ATOM 1599 CB ILE A 107 29.904 -4.063 19.471 1.00 5.21 C ATOM 1600 CG1 ILE A 107 29.219 -5.387 19.855 1.00 5.25 C ATOM 1601 CG2 ILE A 107 30.426 -3.339 20.716 1.00 5.62 C ATOM 1602 CD1 ILE A 107 30.150 -6.401 20.554 1.00 6.71 C ATOM 1603 HA ILE A 107 28.074 -2.968 19.357 1.00 0.00 H ATOM 1604 HB ILE A 107 30.752 -4.294 18.827 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.392 -5.162 20.528 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.832 -5.848 18.946 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.978 -6.649 19.890 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.538 -5.962 21.473 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.589 -7.305 20.790 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.945 -2.429 20.415 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.588 -3.083 21.364 1.00 0.00 H ATOM 1612 HG23 ILE A 107 31.116 -3.991 21.252 1.00 0.00 H ATOM 1613 H ILE A 107 29.127 -3.990 16.707 1.00 0.00 H ATOM 1614 N VAL A 108 29.106 -0.730 18.844 1.00 6.03 N ATOM 1615 CA VAL A 108 29.674 0.589 18.536 1.00 6.15 C ATOM 1616 C VAL A 108 30.057 1.299 19.827 1.00 5.86 C ATOM 1617 O VAL A 108 29.515 0.988 20.880 1.00 6.04 O ATOM 1618 CB VAL A 108 28.672 1.481 17.748 1.00 6.56 C ATOM 1619 CG1 VAL A 108 28.388 0.878 16.372 1.00 6.47 C ATOM 1620 CG2 VAL A 108 27.365 1.679 18.542 1.00 7.55 C ATOM 1621 HA VAL A 108 30.554 0.429 17.913 1.00 0.00 H ATOM 1622 HB VAL A 108 29.127 2.461 17.606 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.319 0.806 15.809 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.958 -0.116 16.494 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.685 1.515 15.835 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.902 0.709 18.724 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.589 2.161 19.494 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.684 2.306 17.967 1.00 0.00 H ATOM 1629 H VAL A 108 28.298 -0.796 19.495 1.00 0.00 H ATOM 1630 N ALA A 109 31.033 2.201 19.748 1.00 5.53 N ATOM 1631 CA ALA A 109 31.363 3.085 20.866 1.00 5.35 C ATOM 1632 C ALA A 109 30.627 4.402 20.677 1.00 5.46 C ATOM 1633 O ALA A 109 30.590 4.942 19.560 1.00 5.94 O ATOM 1634 CB ALA A 109 32.861 3.332 20.943 1.00 5.83 C ATOM 1635 HA ALA A 109 31.056 2.612 21.799 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.378 2.383 21.084 1.00 0.00 H ATOM 1637 HB2 ALA A 109 33.199 3.798 20.017 1.00 0.00 H ATOM 1638 HB3 ALA A 109 33.076 3.992 21.783 1.00 0.00 H ATOM 1639 H ALA A 109 31.577 2.280 18.865 1.00 0.00 H ATOM 1640 N CYS A 110 30.063 4.920 21.767 1.00 5.98 N ATOM 1641 CA CYS A 110 29.293 6.165 21.722 1.00 6.02 C ATOM 1642 C CYS A 110 29.903 7.227 22.626 1.00 5.69 C ATOM 1643 O CYS A 110 30.432 6.917 23.698 1.00 5.77 O ATOM 1644 CB CYS A 110 27.845 5.911 22.119 1.00 6.76 C ATOM 1645 SG CYS A 110 27.066 4.641 21.107 1.00 7.66 S ATOM 1646 HA CYS A 110 29.321 6.535 20.697 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.284 6.839 22.009 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.818 5.593 23.161 1.00 0.00 H ATOM 1649 H CYS A 110 30.173 4.426 22.676 1.00 0.00 H ATOM 1650 N GLU A 111 29.832 8.478 22.178 1.00 5.36 N ATOM 1651 CA GLU A 111 30.347 9.626 22.932 1.00 6.25 C ATOM 1652 C GLU A 111 29.520 10.856 22.611 1.00 5.59 C ATOM 1653 O GLU A 111 28.825 10.892 21.590 1.00 5.56 O ATOM 1654 CB GLU A 111 31.794 9.933 22.555 1.00 5.95 C ATOM 1655 CG GLU A 111 32.799 8.876 23.004 1.00 8.08 C ATOM 1656 CD GLU A 111 34.232 9.226 22.660 1.00 9.55 C ATOM 1657 OE1 GLU A 111 34.460 10.138 21.833 1.00 14.50 O ATOM 1658 OE2 GLU A 111 35.133 8.558 23.204 1.00 14.86 O ATOM 1659 HA GLU A 111 30.291 9.376 23.991 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.853 10.021 21.470 1.00 0.00 H ATOM 1661 HB3 GLU A 111 32.071 10.883 23.011 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.721 8.761 24.085 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.548 7.932 22.520 1.00 0.00 H ATOM 1664 H GLU A 111 29.392 8.649 21.252 1.00 0.00 H ATOM 1665 N GLY A 112 29.613 11.854 23.485 1.00 5.05 N ATOM 1666 CA GLY A 112 29.130 13.204 23.201 1.00 5.88 C ATOM 1667 C GLY A 112 27.736 13.514 23.693 1.00 6.51 C ATOM 1668 O GLY A 112 27.050 12.654 24.248 1.00 6.51 O ATOM 1669 HA3 GLY A 112 29.144 13.345 22.120 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.816 13.911 23.667 1.00 0.00 H ATOM 1671 H GLY A 112 30.048 11.666 24.411 1.00 0.00 H ATOM 1672 N ASN A 113 27.340 14.772 23.500 1.00 7.15 N ATOM 1673 CA ASN A 113 25.974 15.218 23.699 1.00 7.96 C ATOM 1674 C ASN A 113 25.556 15.936 22.415 1.00 7.95 C ATOM 1675 O ASN A 113 26.015 17.054 22.168 1.00 8.61 O ATOM 1676 CB ASN A 113 25.872 16.138 24.923 1.00 8.17 C ATOM 1677 CG ASN A 113 24.429 16.500 25.282 1.00 9.73 C ATOM 1678 OD1 ASN A 113 23.471 15.910 24.776 1.00 11.38 O ATOM 1679 ND2 ASN A 113 24.278 17.467 26.171 1.00 12.61 N ATOM 1680 HA ASN A 113 25.309 14.377 23.897 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.326 15.633 25.776 1.00 0.00 H ATOM 1682 HB3 ASN A 113 26.419 17.057 24.713 1.00 0.00 H ATOM 1683 HD22 ASN A 113 25.113 17.939 26.573 1.00 0.00 H ATOM 1684 HD21 ASN A 113 23.324 17.756 26.468 1.00 0.00 H ATOM 1685 H ASN A 113 28.047 15.470 23.191 1.00 0.00 H ATOM 1686 N PRO A 114 24.695 15.298 21.596 1.00 8.22 N ATOM 1687 CA PRO A 114 23.990 14.047 21.873 1.00 7.88 C ATOM 1688 C PRO A 114 24.918 12.828 21.830 1.00 7.63 C ATOM 1689 O PRO A 114 25.988 12.870 21.216 1.00 7.78 O ATOM 1690 CB PRO A 114 22.971 13.966 20.738 1.00 8.44 C ATOM 1691 CG PRO A 114 23.639 14.654 19.607 1.00 8.90 C ATOM 1692 CD PRO A 114 24.371 15.803 20.245 1.00 8.18 C ATOM 1693 HA PRO A 114 23.553 14.040 22.872 1.00 0.00 H ATOM 1694 HD3 PRO A 114 25.278 16.043 19.691 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.736 16.687 20.301 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.904 15.016 18.888 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.336 13.983 19.105 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.753 12.928 20.486 1.00 0.00 H ATOM 1699 HB3 PRO A 114 22.046 14.475 21.010 1.00 0.00 H ATOM 1700 N TYR A 115 24.493 11.764 22.498 1.00 7.08 N ATOM 1701 CA TYR A 115 25.273 10.529 22.599 1.00 6.79 C ATOM 1702 C TYR A 115 25.073 9.700 21.343 1.00 6.64 C ATOM 1703 O TYR A 115 23.998 9.132 21.129 1.00 7.74 O ATOM 1704 CB TYR A 115 24.784 9.745 23.803 1.00 6.71 C ATOM 1705 CG TYR A 115 25.768 8.778 24.427 1.00 6.17 C ATOM 1706 CD1 TYR A 115 27.055 9.185 24.788 1.00 5.88 C ATOM 1707 CD2 TYR A 115 25.378 7.474 24.737 1.00 6.31 C ATOM 1708 CE1 TYR A 115 27.944 8.300 25.400 1.00 6.30 C ATOM 1709 CE2 TYR A 115 26.252 6.582 25.350 1.00 6.61 C ATOM 1710 CZ TYR A 115 27.535 6.998 25.679 1.00 6.55 C ATOM 1711 OH TYR A 115 28.401 6.120 26.304 1.00 6.92 O ATOM 1712 HA TYR A 115 26.332 10.764 22.710 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.909 9.173 23.493 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.494 10.463 24.570 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.367 7.148 24.494 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.932 5.564 25.570 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.952 8.626 25.658 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.370 10.209 24.589 1.00 0.00 H ATOM 1719 HH TYR A 115 28.011 5.832 27.167 1.00 0.00 H ATOM 1720 H TYR A 115 23.567 11.809 22.970 1.00 0.00 H ATOM 1721 N VAL A 116 26.102 9.640 20.503 1.00 6.45 N ATOM 1722 CA VAL A 116 25.992 9.037 19.172 1.00 6.18 C ATOM 1723 C VAL A 116 27.194 8.133 18.868 1.00 6.01 C ATOM 1724 O VAL A 116 28.231 8.244 19.528 1.00 5.82 O ATOM 1725 CB VAL A 116 25.885 10.131 18.063 1.00 6.03 C ATOM 1726 CG1 VAL A 116 24.519 10.845 18.101 1.00 7.04 C ATOM 1727 CG2 VAL A 116 27.024 11.127 18.188 1.00 6.13 C ATOM 1728 HA VAL A 116 25.083 8.435 19.172 1.00 0.00 H ATOM 1729 HB VAL A 116 25.965 9.635 17.095 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.725 10.115 17.944 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.387 11.324 19.071 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.483 11.599 17.315 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.980 11.607 19.166 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.975 10.605 18.081 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.932 11.882 17.407 1.00 0.00 H ATOM 1736 H VAL A 116 27.017 10.035 20.801 1.00 0.00 H ATOM 1737 N PRO A 117 27.053 7.220 17.888 1.00 6.13 N ATOM 1738 CA PRO A 117 28.175 6.346 17.556 1.00 6.14 C ATOM 1739 C PRO A 117 29.372 7.124 17.012 1.00 6.33 C ATOM 1740 O PRO A 117 29.206 8.004 16.163 1.00 6.22 O ATOM 1741 CB PRO A 117 27.591 5.412 16.480 1.00 6.61 C ATOM 1742 CG PRO A 117 26.107 5.490 16.669 1.00 6.72 C ATOM 1743 CD PRO A 117 25.859 6.917 17.073 1.00 6.37 C ATOM 1744 HA PRO A 117 28.559 5.818 18.429 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.798 7.570 16.202 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.945 7.009 17.660 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.780 4.805 17.451 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.586 5.255 15.741 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.870 5.753 15.483 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.944 4.391 16.625 1.00 0.00 H ATOM 1751 N VAL A 118 30.563 6.808 17.518 1.00 6.07 N ATOM 1752 CA VAL A 118 31.790 7.431 17.008 1.00 6.44 C ATOM 1753 C VAL A 118 32.832 6.398 16.526 1.00 6.59 C ATOM 1754 O VAL A 118 33.796 6.764 15.874 1.00 7.16 O ATOM 1755 CB VAL A 118 32.447 8.408 18.033 1.00 6.65 C ATOM 1756 CG1 VAL A 118 31.566 9.617 18.274 1.00 6.08 C ATOM 1757 CG2 VAL A 118 32.728 7.690 19.351 1.00 6.22 C ATOM 1758 HA VAL A 118 31.467 8.014 16.145 1.00 0.00 H ATOM 1759 HB VAL A 118 33.391 8.752 17.611 1.00 0.00 H ATOM 1760 HG11 VAL A 118 31.414 10.147 17.334 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.604 9.291 18.669 1.00 0.00 H ATOM 1762 HG13 VAL A 118 32.049 10.280 18.992 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.792 7.316 19.767 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.406 6.856 19.171 1.00 0.00 H ATOM 1765 HG23 VAL A 118 33.186 8.387 20.053 1.00 0.00 H ATOM 1766 H VAL A 118 30.624 6.109 18.286 1.00 0.00 H ATOM 1767 N HIS A 119 32.626 5.120 16.848 1.00 6.92 N ATOM 1768 CA HIS A 119 33.566 4.034 16.488 1.00 6.83 C ATOM 1769 C HIS A 119 32.762 2.757 16.272 1.00 6.42 C ATOM 1770 O HIS A 119 31.805 2.492 17.003 1.00 7.29 O ATOM 1771 CB HIS A 119 34.610 3.870 17.614 1.00 7.78 C ATOM 1772 CG HIS A 119 35.468 5.072 17.845 1.00 6.27 C ATOM 1773 ND1 HIS A 119 36.226 5.654 16.851 1.00 6.83 N ATOM 1774 CD2 HIS A 119 35.707 5.787 18.970 1.00 8.47 C ATOM 1775 CE1 HIS A 119 36.876 6.690 17.349 1.00 7.46 C ATOM 1776 NE2 HIS A 119 36.580 6.791 18.632 1.00 7.66 N ATOM 1777 HA HIS A 119 34.104 4.267 15.569 1.00 0.00 H ATOM 1778 HB2 HIS A 119 34.080 3.647 18.540 1.00 0.00 H ATOM 1779 HB3 HIS A 119 35.259 3.033 17.357 1.00 0.00 H ATOM 1780 HD2 HIS A 119 35.286 5.600 19.958 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.544 7.350 16.795 1.00 0.00 H ATOM 1782 H HIS A 119 31.765 4.875 17.377 1.00 0.00 H ATOM 1783 N PHE A 120 33.121 1.986 15.248 1.00 5.65 N ATOM 1784 CA PHE A 120 32.549 0.656 15.071 1.00 5.21 C ATOM 1785 C PHE A 120 33.519 -0.342 15.680 1.00 5.72 C ATOM 1786 O PHE A 120 34.661 -0.449 15.219 1.00 5.43 O ATOM 1787 CB PHE A 120 32.350 0.353 13.581 1.00 5.19 C ATOM 1788 CG PHE A 120 31.562 -0.895 13.330 1.00 5.05 C ATOM 1789 CD1 PHE A 120 30.201 -0.829 13.063 1.00 5.33 C ATOM 1790 CD2 PHE A 120 32.179 -2.144 13.383 1.00 5.11 C ATOM 1791 CE1 PHE A 120 29.465 -1.995 12.852 1.00 5.11 C ATOM 1792 CE2 PHE A 120 31.447 -3.309 13.164 1.00 5.70 C ATOM 1793 CZ PHE A 120 30.095 -3.231 12.901 1.00 5.84 C ATOM 1794 HA PHE A 120 31.575 0.594 15.557 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.825 1.192 13.124 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.330 0.243 13.116 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.246 -2.210 13.598 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.941 -4.280 13.200 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.520 -4.142 12.731 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.396 -1.936 12.649 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.704 0.140 13.018 1.00 0.00 H ATOM 1802 H PHE A 120 33.820 2.338 14.563 1.00 0.00 H ATOM 1803 N ASP A 121 33.078 -1.083 16.696 1.00 5.08 N ATOM 1804 CA ASP A 121 34.005 -1.956 17.429 1.00 5.51 C ATOM 1805 C ASP A 121 34.057 -3.391 16.927 1.00 5.37 C ATOM 1806 O ASP A 121 35.143 -3.971 16.801 1.00 5.77 O ATOM 1807 CB ASP A 121 33.679 -1.925 18.923 1.00 5.50 C ATOM 1808 CG ASP A 121 34.878 -2.243 19.789 1.00 6.37 C ATOM 1809 OD1 ASP A 121 35.948 -1.629 19.570 1.00 6.38 O ATOM 1810 OD2 ASP A 121 34.748 -3.081 20.709 1.00 5.69 O ATOM 1811 HA ASP A 121 35.001 -1.552 17.247 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.317 -0.930 19.181 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.898 -2.658 19.125 1.00 0.00 H ATOM 1814 H ASP A 121 32.076 -1.043 16.971 1.00 0.00 H ATOM 1815 N ALA A 122 32.885 -3.965 16.652 1.00 5.58 N ATOM 1816 CA ALA A 122 32.791 -5.377 16.294 1.00 6.07 C ATOM 1817 C ALA A 122 31.402 -5.720 15.800 1.00 6.49 C ATOM 1818 O ALA A 122 30.462 -4.947 15.977 1.00 6.24 O ATOM 1819 CB ALA A 122 33.115 -6.243 17.515 1.00 6.56 C ATOM 1820 HA ALA A 122 33.507 -5.572 15.495 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.126 -6.023 17.857 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.405 -6.024 18.313 1.00 0.00 H ATOM 1823 HB3 ALA A 122 33.043 -7.296 17.242 1.00 0.00 H ATOM 1824 H ALA A 122 32.017 -3.393 16.694 1.00 0.00 H ATOM 1825 N SER A 123 31.283 -6.891 15.180 1.00 6.82 N ATOM 1826 CA SER A 123 29.984 -7.530 14.992 1.00 7.65 C ATOM 1827 C SER A 123 30.040 -8.910 15.625 1.00 7.90 C ATOM 1828 O SER A 123 31.090 -9.561 15.614 1.00 8.24 O ATOM 1829 CB SER A 123 29.629 -7.658 13.517 1.00 8.01 C ATOM 1830 OG SER A 123 30.590 -8.431 12.832 1.00 9.11 O ATOM 1831 HA SER A 123 29.216 -6.915 15.461 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.588 -6.664 13.072 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.654 -8.137 13.425 1.00 0.00 H ATOM 1834 HG SER A 123 31.477 -7.998 12.910 1.00 0.00 H ATOM 1835 H SER A 123 32.137 -7.363 14.820 1.00 0.00 H ATOM 1836 N VAL A 124 28.913 -9.353 16.174 1.00 8.26 N ATOM 1837 CA VAL A 124 28.847 -10.652 16.850 1.00 9.09 C ATOM 1838 C VAL A 124 27.593 -11.434 16.478 1.00 9.18 C ATOM 1839 O VAL A 124 26.598 -10.876 16.016 1.00 9.76 O ATOM 1840 CB VAL A 124 28.941 -10.521 18.397 1.00 8.87 C ATOM 1841 CG1 VAL A 124 30.297 -9.943 18.815 1.00 10.57 C ATOM 1842 CG2 VAL A 124 27.799 -9.679 18.949 1.00 10.11 C ATOM 1843 HA VAL A 124 29.717 -11.207 16.499 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.536 -12.651 16.649 1.00 9.90 O ATOM 1845 HB VAL A 124 28.853 -11.521 18.822 1.00 0.00 H ATOM 1846 HG11 VAL A 124 31.094 -10.602 18.469 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.422 -8.956 18.371 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.337 -9.862 19.901 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.841 -8.681 18.512 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.848 -10.148 18.696 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.893 -9.607 20.032 1.00 0.00 H ATOM 1852 H VAL A 124 28.058 -8.764 16.123 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 38.314 3.712 12.525 1.00 30.34 O HETATM 1855 O HOH 2 34.820 -5.649 -3.347 1.00 19.23 O HETATM 1856 O HOH 3 37.718 -0.606 21.353 1.00 12.78 O HETATM 1857 O HOH 4 32.308 -7.010 25.280 1.00 11.09 O HETATM 1858 O HOH 5 33.276 -5.053 22.012 1.00 8.85 O HETATM 1859 O HOH 6 34.520 8.729 14.344 1.00 20.99 O HETATM 1860 O HOH 7 25.391 10.625 13.948 1.00 16.48 O HETATM 1861 O HOH 8 20.235 -5.136 28.294 1.00 13.99 O HETATM 1862 O HOH 9 18.040 0.195 16.867 1.00 15.09 O HETATM 1863 O HOH 10 34.413 5.988 12.677 1.00 20.00 O HETATM 1864 O HOH 11 27.518 8.917 14.101 1.00 11.32 O HETATM 1865 O HOH 12 40.894 -1.743 9.688 1.00 26.09 O HETATM 1866 O HOH 13 27.505 14.324 19.593 1.00 16.37 O HETATM 1867 O HOH 14 16.184 0.918 20.535 1.00 30.41 O HETATM 1868 O HOH 15 16.876 0.290 9.503 1.00 17.55 O HETATM 1869 O HOH 16 34.935 5.951 22.184 1.00 17.83 O HETATM 1870 O HOH 17 35.328 3.056 13.680 1.00 14.31 O HETATM 1871 O HOH 18 49.561 -7.419 -0.503 1.00 36.97 O HETATM 1872 O HOH 19 34.856 -9.737 3.620 1.00 22.72 O HETATM 1873 O HOH 20 30.970 14.097 17.045 1.00 20.41 O HETATM 1874 O HOH 21 18.785 -0.830 26.941 1.00 17.23 O HETATM 1875 O HOH 22 35.942 3.606 23.379 1.00 15.06 O HETATM 1876 O HOH 23 22.464 8.344 19.236 1.00 26.67 O HETATM 1877 O HOH 24 27.173 13.353 11.269 1.00 33.18 O HETATM 1878 O HOH 25 28.879 -3.523 -9.141 1.00 23.46 O HETATM 1879 O HOH 26 20.570 6.373 21.403 1.00 26.41 O HETATM 1880 O HOH 27 17.694 6.912 17.153 1.00 20.70 O HETATM 1881 O HOH 28 30.047 6.553 -1.160 1.00 26.46 O HETATM 1882 O HOH 29 25.482 0.530 31.747 1.00 14.70 O HETATM 1883 O HOH 30 25.553 21.292 22.238 1.00 30.48 O HETATM 1884 O HOH 31 29.778 12.205 7.186 1.00 23.37 O HETATM 1885 O HOH 32 17.342 7.854 9.929 1.00 21.09 O HETATM 1886 O HOH 33 30.154 4.222 30.131 1.00 23.58 O HETATM 1887 O HOH 34 22.470 -8.435 21.321 1.00 26.46 O HETATM 1888 O HOH 35 46.874 -1.881 4.339 1.00 27.74 O HETATM 1889 O HOH 36 34.048 15.684 16.933 1.00 25.31 O HETATM 1890 O HOH 37 29.367 -14.371 17.663 1.00 32.14 O HETATM 1891 O HOH 38 39.943 6.529 -1.000 1.00 28.31 O HETATM 1892 O HOH 39 21.866 8.179 22.732 1.00 35.68 O HETATM 1893 O HOH 40 39.333 0.154 -3.182 1.00 25.65 O HETATM 1894 O HOH 41 29.783 12.728 19.376 1.00 16.11 O HETATM 1895 O HOH 42 29.449 16.678 22.569 1.00 27.24 O HETATM 1896 O HOH 43 24.201 -7.900 -5.207 1.00 42.56 O HETATM 1897 O HOH 44 40.729 0.934 28.661 1.00 37.42 O HETATM 1898 O HOH 45 31.887 5.086 33.348 1.00 33.11 O HETATM 1899 O HOH 46 17.944 -6.053 9.311 1.00 31.14 O HETATM 1900 O HOH 47 18.591 -3.274 17.908 1.00 23.57 O HETATM 1901 O HOH 48 17.935 1.098 5.646 1.00 32.89 O HETATM 1902 O HOH 49 33.964 -7.998 14.569 1.00 20.05 O HETATM 1903 O HOH 50 33.464 -10.229 16.806 1.00 24.26 O HETATM 1904 O HOH 51 23.226 -11.589 4.706 1.00 37.92 O HETATM 1905 O HOH 52 38.016 -7.974 -4.768 1.00 36.28 O HETATM 1906 O HOH 53 19.026 -8.584 5.673 1.00 33.28 O HETATM 1907 O HOH 54 39.047 8.018 7.315 1.00 34.09 O HETATM 1908 O HOH 55 25.036 -13.427 8.739 1.00 28.67 O HETATM 1909 O HOH 56 22.519 6.863 7.081 1.00 23.58 O HETATM 1910 O HOH 57 33.922 -8.974 -3.502 1.00 30.02 O HETATM 1911 O HOH 58 37.598 -3.008 16.232 1.00 21.60 O HETATM 1912 O HOH 59 30.634 -10.528 6.941 1.00 32.31 O HETATM 1913 O HOH 60 30.566 17.265 10.656 1.00 33.40 O HETATM 1914 O HOH 61 19.376 -8.324 10.112 1.00 23.82 O HETATM 1915 O HOH 62 31.910 4.967 -6.392 1.00 37.05 O HETATM 1916 O HOH 63 18.666 9.386 16.781 1.00 27.96 O HETATM 1917 O HOH 64 26.836 -14.512 14.256 1.00 34.16 O HETATM 1918 O HOH 65 36.811 12.547 3.593 1.00 32.88 O HETATM 1919 O HOH 66 16.696 -7.758 12.877 1.00 32.18 O HETATM 1920 O HOH 67 24.497 -12.490 15.450 1.00 25.92 O HETATM 1921 O HOH 68 19.926 -12.741 17.299 1.00 32.07 O HETATM 1922 O HOH 69 27.824 -14.322 5.266 1.00 41.75 O HETATM 1923 O HOH 70 44.156 -6.813 -6.566 1.00 36.34 O HETATM 1924 O HOH 71 25.200 -4.834 30.041 1.00 31.25 O HETATM 1925 O HOH 72 23.384 -10.609 0.307 1.00 32.45 O HETATM 1926 O HOH 73 24.209 5.977 4.626 1.00 20.66 O HETATM 1927 O HOH 74 24.656 8.228 7.674 1.00 23.89 O HETATM 1928 O HOH 75 35.520 -4.326 -8.332 1.00 40.25 O HETATM 1929 O HOH 76 34.233 11.573 19.933 1.00 31.30 O HETATM 1930 O HOH 77 43.844 4.824 -3.284 1.00 32.19 O HETATM 1931 O HOH 78 28.284 16.924 19.834 1.00 36.78 O HETATM 1932 O HOH 79 50.210 8.888 -0.051 1.00 48.26 O HETATM 1933 O HOH 80 26.792 -3.140 -5.236 1.00 30.68 O HETATM 1934 O HOH 81 23.796 -13.533 13.361 1.00 32.80 O HETATM 1935 O HOH 82 28.086 -6.380 29.509 1.00 29.52 O HETATM 1936 O HOH 83 25.772 -10.639 -1.403 1.00 47.13 O HETATM 1937 O HOH 84 41.157 2.084 -3.725 1.00 37.78 O HETATM 1938 O HOH 85 25.088 4.261 28.968 1.00 34.59 O HETATM 1939 O HOH 86 21.857 12.920 13.232 1.00 25.92 O HETATM 1940 O HOH 87 36.898 23.467 8.610 1.00 40.86 O HETATM 1941 O HOH 88 15.159 -1.304 2.161 1.00 46.13 O HETATM 1942 O HOH 89 38.512 12.796 10.450 1.00 38.66 O HETATM 1943 O HOH 90 17.412 2.654 21.776 1.00 29.12 O HETATM 1944 O HOH 91 45.633 -5.912 5.262 1.00 38.39 O HETATM 1945 O HOH 92 34.765 4.314 -6.031 1.00 33.56 O HETATM 1946 O HOH 93 25.150 -13.050 3.744 1.00 31.59 O HETATM 1947 O HOH 94 31.936 -6.792 11.472 1.00 21.88 O HETATM 1948 O HOH 95 40.888 -1.927 -6.681 1.00 37.25 O HETATM 1949 O HOH 96 37.002 12.802 14.447 1.00 45.88 O HETATM 1950 O HOH 97 46.104 -4.231 -6.022 1.00 29.73 O HETATM 1951 O HOH 98 32.067 13.868 6.778 1.00 28.93 O HETATM 1952 O HOH 99 28.246 18.808 23.584 1.00 25.62 O HETATM 1953 O HOH 100 29.004 1.034 -4.334 1.00 42.25 O HETATM 1954 O HOH 101 23.154 4.532 27.023 1.00 26.16 O HETATM 1955 O HOH 102 48.190 -0.181 2.478 1.00 25.48 O HETATM 1956 O HOH 103 25.973 3.526 -1.272 1.00 35.50 O HETATM 1957 O HOH 104 43.726 -12.083 -3.235 1.00 47.45 O HETATM 1958 O HOH 105 20.564 10.137 18.865 1.00 37.47 O HETATM 1959 O HOH 106 29.150 16.119 16.340 1.00 30.69 O HETATM 1960 O HOH 107 48.891 -1.988 0.300 1.00 33.39 O HETATM 1961 O HOH 108 30.851 3.751 -4.228 1.00 39.58 O HETATM 1962 O HOH 109 17.281 -9.933 15.330 1.00 30.22 O HETATM 1963 O HOH 110 36.753 10.226 15.625 1.00 25.37 O HETATM 1964 O HOH 111 22.582 13.667 15.748 1.00 30.67 O HETATM 1965 O HOH 112 25.297 12.991 15.224 1.00 19.94 O HETATM 1966 O HOH 113 26.597 14.740 16.990 1.00 18.61 O HETATM 1967 O HOH 114 17.366 -2.366 15.552 1.00 19.63 O HETATM 1968 O HOH 115 20.942 12.556 17.773 1.00 36.07 O HETATM 1969 O HOH 116 29.249 20.761 21.829 1.00 20.98 O HETATM 1970 O HOH 117 24.015 1.847 29.638 1.00 20.31 O HETATM 1971 O HOH 118 33.965 -9.551 19.341 1.00 23.41 O HETATM 1972 O HOH 119 40.133 -8.356 20.648 1.00 31.28 O HETATM 1973 O HOH 120 36.539 1.953 21.343 1.00 17.37 O HETATM 1974 O HOH 121 39.881 -0.811 19.757 1.00 29.17 O HETATM 1975 O HOH 122 34.945 -1.815 33.750 1.00 20.96 O HETATM 1976 O HOH 123 36.530 0.134 33.865 1.00 25.51 O HETATM 1977 O HOH 124 37.953 0.712 31.607 1.00 30.19 O HETATM 1978 O HOH 125 35.384 5.915 26.913 1.00 23.44 O HETATM 1979 O HOH 126 47.592 -13.281 -1.308 1.00 49.89 O HETATM 1980 O HOH 127 45.005 5.207 -8.719 1.00 40.33 O HETATM 1981 O HOH 128 21.735 -12.124 26.246 1.00 35.82 O HETATM 1982 O HOH 129 22.076 -9.646 27.820 1.00 19.78 O HETATM 1983 O HOH 130 36.572 5.295 14.272 1.00 31.41 O HETATM 1984 O HOH 131 32.830 -17.020 19.161 1.00 28.54 O HETATM 1985 O HOH 132 21.919 12.020 23.792 1.00 23.67 O HETATM 1986 O HOH 133 14.331 4.540 10.924 1.00 31.09 O HETATM 1987 O HOH 134 31.856 16.344 7.865 1.00 40.98 O HETATM 1988 O HOH 135 26.212 14.766 13.113 1.00 30.85 O HETATM 1989 O HOH 136 36.332 12.996 19.466 1.00 27.25 O HETATM 1990 O HOH 137 35.836 2.726 -8.027 1.00 34.78 O HETATM 1991 O HOH 138 47.909 -1.948 6.637 1.00 39.04 O HETATM 1992 O HOH 139 41.987 -8.733 7.607 1.00 58.98 O HETATM 1993 O HOH 140 43.723 -6.365 10.210 1.00 43.99 O HETATM 1994 O HOH 141 23.513 13.035 10.919 1.00 26.15 O HETATM 1995 O HOH 142 29.183 2.073 31.456 1.00 29.34 O HETATM 1996 O HOH 143 33.056 -0.990 35.511 1.00 27.57 O HETATM 1997 O HOH 144 38.375 3.724 20.197 1.00 33.18 O HETATM 1998 O HOH 145 27.224 -11.629 29.294 1.00 29.87 O HETATM 1999 O HOH 146 30.817 3.840 35.531 1.00 31.85 O HETATM 2000 O HOH 147 18.497 0.169 2.168 1.00 38.54 O HETATM 2001 O HOH 148 39.232 -5.789 13.934 1.00 44.28 O HETATM 2002 O HOH 149 36.104 3.461 30.046 1.00 30.16 O HETATM 2003 O HOH 150 40.056 -10.930 1.945 1.00 48.98 O HETATM 2004 O HOH 151 30.978 -1.521 29.717 1.00 32.44 O HETATM 2005 O HOH 152 31.610 -3.731 30.747 1.00 23.68 O HETATM 2006 O HOH 153 30.220 -2.215 32.241 1.00 51.08 O HETATM 2007 O HOH 154 28.734 -1.422 34.203 1.00 34.66 O HETATM 2008 O HOH 155 31.305 7.810 26.281 1.00 9.98 O HETATM 2009 O HOH 156 39.693 4.921 14.308 1.00 44.74 O HETATM 2010 O HOH 157 40.917 3.180 12.622 1.00 42.72 O HETATM 2011 O HOH 158 39.918 5.030 10.788 1.00 44.98 O HETATM 2012 O HOH 159 42.835 4.048 7.465 1.00 49.33 O HETATM 2013 O HOH 160 41.008 5.937 6.821 1.00 38.38 O HETATM 2014 O HOH 161 43.057 4.985 4.671 1.00 35.78 O HETATM 2015 O HOH 162 30.614 -13.127 11.098 1.00 41.55 O HETATM 2016 O HOH 163 31.938 -12.210 15.026 1.00 56.73 O HETATM 2017 O HOH 164 41.721 5.789 12.683 1.00 39.58 O HETATM 2018 C4 U A 1 34.983 -4.678 12.476 1.00 0.18 C HETATM 2019 C5 U A 1 36.158 -4.563 13.213 1.00 0.01 C HETATM 2020 C6 U A 1 36.963 -3.433 13.062 1.00 0.06 C HETATM 2021 N1 U A 1 36.602 -2.390 12.172 1.00 -0.16 N HETATM 2022 C1' U A 1 37.483 -1.176 12.009 1.00 0.21 C HETATM 2023 O4' U A 1 38.813 -1.426 12.554 1.00 -0.33 O HETATM 2024 C4' U A 1 38.752 -0.845 13.902 1.00 0.13 C HETATM 2025 C5' U A 1 40.044 -0.759 14.748 1.00 -0.00 C HETATM 2026 NBA U A 1 41.222 -1.239 14.004 1.00 0.24 N HETATM 2027 CAM U A 1 42.307 -0.232 14.126 1.00 -0.03 C HETATM 2028 CAK U A 1 43.074 -0.329 15.465 1.00 -0.01 C HETATM 2029 CAV U A 1 43.667 -1.728 15.686 1.00 -0.04 C HETATM 2030 CAJ U A 1 43.119 -2.726 14.656 1.00 -0.01 C HETATM 2031 CAL U A 1 41.597 -2.585 14.491 1.00 -0.03 C HETATM 2032 H12 U A 1 41.115 -2.759 15.464 1.00 0.08 H HETATM 2033 H13 U A 1 41.246 -3.336 13.768 1.00 0.08 H HETATM 2034 H10 U A 1 43.349 -3.748 14.991 1.00 0.03 H HETATM 2035 H11 U A 1 43.603 -2.540 13.686 1.00 0.03 H HETATM 2036 H4 U A 1 43.406 -2.074 16.697 1.00 0.03 H HETATM 2037 H5 U A 1 44.761 -1.675 15.588 1.00 0.03 H HETATM 2038 H6 U A 1 43.892 0.407 15.460 1.00 0.03 H HETATM 2039 H7 U A 1 42.381 -0.102 16.289 1.00 0.03 H HETATM 2040 H8 U A 1 43.020 -0.383 13.302 1.00 0.08 H HETATM 2041 H9 U A 1 41.864 0.772 14.048 1.00 0.08 H HETATM 2042 H14 U A 1 40.981 -1.320 13.029 1.00 0.20 H HETATM 2043 H15 U A 1 40.210 0.289 15.038 1.00 0.08 H HETATM 2044 H16 U A 1 39.919 -1.374 15.651 1.00 0.08 H HETATM 2045 C3' U A 1 38.201 0.518 13.566 1.00 0.12 C HETATM 2046 O3' U A 1 37.740 1.228 14.706 1.00 -0.39 O HETATM 2047 H19 U A 1 37.406 2.075 14.436 1.00 0.21 H HETATM 2048 C2' U A 1 37.008 0.120 12.725 1.00 0.14 C HETATM 2049 O2' U A 1 36.867 1.195 11.812 1.00 -0.38 O HETATM 2050 H21 U A 1 36.716 2.000 12.293 1.00 0.21 H HETATM 2051 H20 U A 1 36.092 -0.045 13.310 1.00 0.07 H HETATM 2052 H18 U A 1 38.929 1.127 13.010 1.00 0.06 H HETATM 2053 H17 U A 1 38.025 -1.414 14.500 1.00 0.07 H HETATM 2054 H22 U A 1 37.559 -0.970 10.931 1.00 0.10 H HETATM 2055 C2 U A 1 35.416 -2.516 11.424 1.00 0.33 C HETATM 2056 N3 U A 1 34.614 -3.662 11.576 1.00 -0.19 N HETATM 2057 H3 U A 1 33.775 -3.755 11.040 1.00 0.23 H HETATM 2058 O2 U A 1 35.066 -1.639 10.635 1.00 -0.38 O HETATM 2059 H2 U A 1 37.884 -3.351 13.637 1.00 0.12 H HETATM 2060 H1 U A 1 36.448 -5.352 13.905 1.00 0.03 H HETATM 2061 O4 U A 1 34.275 -5.674 12.604 1.00 -0.41 O 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 2018 2019 2056 2061 CONECT 2019 2018 2020 2060 CONECT 2020 2019 2021 2059 CONECT 2021 2020 2022 2055 CONECT 2022 2021 2023 2048 2054 CONECT 2023 2022 2024 CONECT 2024 2023 2025 2045 2053 CONECT 2025 2024 2026 2043 2044 CONECT 2026 2025 2027 2031 2042 CONECT 2027 2026 2028 2040 2041 CONECT 2028 2027 2029 2038 2039 CONECT 2029 2028 2030 2036 2037 CONECT 2030 2029 2031 2034 2035 CONECT 2031 2026 2030 2032 2033 CONECT 2032 2031 CONECT 2033 2031 CONECT 2034 2030 CONECT 2035 2030 CONECT 2036 2029 CONECT 2037 2029 CONECT 2038 2028 CONECT 2039 2028 CONECT 2040 2027 CONECT 2041 2027 CONECT 2042 2026 CONECT 2043 2025 CONECT 2044 2025 CONECT 2045 2024 2046 2048 2052 CONECT 2046 2045 2047 CONECT 2047 2046 CONECT 2048 2022 2045 2049 2051 CONECT 2049 2048 2050 CONECT 2050 2049 CONECT 2051 2048 CONECT 2052 2045 CONECT 2053 2024 CONECT 2054 2022 CONECT 2055 2021 2056 2058 CONECT 2056 2018 2055 2057 CONECT 2057 2056 CONECT 2058 2055 CONECT 2059 2020 CONECT 2060 2019 CONECT 2061 2018 MASTER 0 0 0 0 0 0 0 0 2060 1 56 10 END
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Structure:
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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
3d6o
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Ribonuclease pancreatic
Ligand Name
U1S
EC.Number
E.C.3.1.27.5
Resolution
1.58(Å)
Affinity (Kd/Ki/IC50)
Ki=77uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) J.Med.Chem. Vol. 52: pp. 932-942
Ligand Properties
Formula
C
1
4
H
2
2
N
3
O
5
Molecular Weight
312.342
Exact Mass
312.156
No. of atoms
44
No. of bonds
46
Polar Surface Area
108.99
LOGP Value
-1.29 (
Computed with XLOGP3
)
-1.21 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
Canonical SMILES
O=c1ccn(c(=O)[nH]1)[C@@H]1O[C@H]([C@@H]([C@H]1O)O)C[NH+]1CCCCC1
InChI String
InChI=1S/C14H21N3O5/c18-10-4-7-17(14(21)15-10)13-12(20)11(19)9(22-13)8-16-5-2-1-3-6-16/h4,7,9,11-13,19-20H,1-3,5-6,8H2,(H,15,18,21)/p+1/t9-,11-,12+,13+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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