Browse entries in the PDBbind-CN Database
HEADER 3D6P_COMPLEX COMPND 3D6P_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 2S 42 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 35.911 20.998 8.721 1.00 23.58 N ATOM 2 CA LYS A 1 36.544 19.708 9.130 1.00 23.44 C ATOM 3 C LYS A 1 35.585 18.516 8.986 1.00 22.95 C ATOM 4 O LYS A 1 35.140 18.217 7.870 1.00 23.57 O ATOM 5 CB LYS A 1 37.147 19.810 10.546 1.00 23.93 C ATOM 6 CG LYS A 1 36.296 20.568 11.570 1.00 24.68 C ATOM 7 CD LYS A 1 37.157 21.037 12.748 1.00 26.58 C ATOM 8 CE LYS A 1 36.366 21.914 13.710 1.00 26.64 C ATOM 9 NZ LYS A 1 35.319 21.145 14.456 1.00 27.84 N ATOM 10 HA LYS A 1 37.366 19.515 8.441 1.00 0.00 H ATOM 11 HB2 LYS A 1 37.301 18.798 10.920 1.00 0.00 H ATOM 12 HB3 LYS A 1 38.109 20.317 10.467 1.00 0.00 H ATOM 13 HG2 LYS A 1 35.844 21.435 11.089 1.00 0.00 H ATOM 14 HG3 LYS A 1 35.510 19.910 11.940 1.00 0.00 H ATOM 15 HD2 LYS A 1 37.525 20.164 13.287 1.00 0.00 H ATOM 16 HD3 LYS A 1 38.002 21.608 12.363 1.00 0.00 H ATOM 17 HE2 LYS A 1 35.880 22.707 13.142 1.00 0.00 H ATOM 18 HE3 LYS A 1 37.056 22.355 14.430 1.00 0.00 H ATOM 19 HZ1 LYS A 1 34.650 20.726 13.779 1.00 0.00 H ATOM 20 HZ2 LYS A 1 35.773 20.390 15.009 1.00 0.00 H ATOM 21 HZ3 LYS A 1 34.810 21.787 15.097 1.00 0.00 H ATOM 22 HN3 LYS A 1 35.079 21.179 9.318 1.00 0.00 H ATOM 23 HN2 LYS A 1 35.618 20.938 7.725 1.00 0.00 H ATOM 24 HN1 LYS A 1 36.597 21.771 8.836 1.00 0.00 H ATOM 25 N GLU A 2 35.278 17.858 10.109 1.00 21.44 N ATOM 26 CA GLU A 2 34.425 16.657 10.176 1.00 20.01 C ATOM 27 C GLU A 2 34.321 16.199 11.632 1.00 19.15 C ATOM 28 O GLU A 2 35.335 15.845 12.246 1.00 18.99 O ATOM 29 CB GLU A 2 34.996 15.522 9.316 1.00 20.24 C ATOM 30 CG GLU A 2 34.138 14.277 9.294 1.00 19.73 C ATOM 31 CD GLU A 2 34.731 13.141 8.472 1.00 19.40 C ATOM 32 OE1 GLU A 2 35.924 12.809 8.654 1.00 19.01 O ATOM 33 OE2 GLU A 2 33.987 12.563 7.656 1.00 19.38 O ATOM 34 HA GLU A 2 33.437 16.908 9.789 1.00 0.00 H ATOM 35 HB2 GLU A 2 35.100 15.885 8.294 1.00 0.00 H ATOM 36 HB3 GLU A 2 35.978 15.255 9.707 1.00 0.00 H ATOM 37 HG2 GLU A 2 34.008 13.930 10.319 1.00 0.00 H ATOM 38 HG3 GLU A 2 33.166 14.536 8.874 1.00 0.00 H ATOM 39 H GLU A 2 35.670 18.220 11.002 1.00 0.00 H ATOM 40 N THR A 3 33.107 16.202 12.185 1.00 18.63 N ATOM 41 CA THR A 3 32.907 15.749 13.570 1.00 18.04 C ATOM 42 C THR A 3 33.094 14.236 13.634 1.00 17.89 C ATOM 43 O THR A 3 33.088 13.559 12.599 1.00 17.67 O ATOM 44 CB THR A 3 31.501 16.071 14.119 1.00 18.18 C ATOM 45 OG1 THR A 3 30.516 15.329 13.384 1.00 18.39 O ATOM 46 CG2 THR A 3 31.197 17.571 14.083 1.00 18.22 C ATOM 47 HA THR A 3 33.638 16.281 14.179 1.00 0.00 H ATOM 48 HB THR A 3 31.470 15.772 15.167 1.00 0.00 H ATOM 49 HG1 THR A 3 29.615 15.537 13.738 1.00 0.00 H ATOM 50 HG23 THR A 3 31.959 18.108 14.648 1.00 0.00 H ATOM 51 HG21 THR A 3 31.198 17.916 13.049 1.00 0.00 H ATOM 52 HG22 THR A 3 30.218 17.753 14.527 1.00 0.00 H ATOM 53 H THR A 3 32.291 16.529 11.629 1.00 0.00 H ATOM 54 N ALA A 4 33.257 13.717 14.848 1.00 17.69 N ATOM 55 CA ALA A 4 33.402 12.279 15.060 1.00 17.45 C ATOM 56 C ALA A 4 32.153 11.551 14.596 1.00 17.41 C ATOM 57 O ALA A 4 32.241 10.488 13.974 1.00 18.50 O ATOM 58 CB ALA A 4 33.681 11.979 16.519 1.00 16.84 C ATOM 59 HA ALA A 4 34.249 11.926 14.472 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.603 12.475 16.821 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.854 12.344 17.128 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.785 10.902 16.654 1.00 0.00 H ATOM 63 H ALA A 4 33.282 14.354 15.670 1.00 0.00 H ATOM 64 N ALA A 5 30.989 12.118 14.913 1.00 17.40 N ATOM 65 CA ALA A 5 29.708 11.547 14.467 1.00 16.96 C ATOM 66 C ALA A 5 29.633 11.462 12.933 1.00 16.70 C ATOM 67 O ALA A 5 29.247 10.419 12.374 1.00 15.77 O ATOM 68 CB ALA A 5 28.544 12.358 15.018 1.00 17.24 C ATOM 69 HA ALA A 5 29.641 10.531 14.857 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.578 12.346 16.107 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.618 13.386 14.662 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.605 11.921 14.678 1.00 0.00 H ATOM 73 H ALA A 5 30.986 12.984 15.489 1.00 0.00 H ATOM 74 N ALA A 6 30.015 12.549 12.256 1.00 15.34 N ATOM 75 CA ALA A 6 30.032 12.583 10.794 1.00 14.57 C ATOM 76 C ALA A 6 31.026 11.572 10.209 1.00 13.63 C ATOM 77 O ALA A 6 30.753 10.944 9.185 1.00 14.13 O ATOM 78 CB ALA A 6 30.349 13.974 10.304 1.00 15.40 C ATOM 79 HA ALA A 6 29.037 12.301 10.449 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.590 14.667 10.667 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.327 14.275 10.678 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.357 13.981 9.214 1.00 0.00 H ATOM 83 H ALA A 6 30.309 13.395 12.784 1.00 0.00 H ATOM 84 N LYS A 7 32.178 11.433 10.866 1.00 10.92 N ATOM 85 CA LYS A 7 33.207 10.495 10.423 1.00 9.48 C ATOM 86 C LYS A 7 32.676 9.063 10.511 1.00 9.01 C ATOM 87 O LYS A 7 32.841 8.277 9.582 1.00 8.52 O ATOM 88 CB LYS A 7 34.480 10.659 11.251 1.00 9.64 C ATOM 89 CG LYS A 7 35.621 9.754 10.814 1.00 10.48 C ATOM 90 CD LYS A 7 36.820 9.946 11.701 1.00 11.42 C ATOM 91 CE LYS A 7 37.990 9.131 11.215 1.00 13.12 C ATOM 92 NZ LYS A 7 39.258 9.580 11.853 1.00 15.00 N ATOM 93 HA LYS A 7 33.458 10.710 9.384 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.812 11.694 11.169 1.00 0.00 H ATOM 95 HB3 LYS A 7 34.244 10.436 12.291 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.296 8.715 10.871 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.894 9.992 9.786 1.00 0.00 H ATOM 98 HD2 LYS A 7 37.097 11.000 11.703 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.567 9.636 12.715 1.00 0.00 H ATOM 100 HE2 LYS A 7 38.077 9.241 10.134 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.820 8.082 11.460 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.428 10.579 11.619 1.00 0.00 H ATOM 103 HZ2 LYS A 7 39.183 9.472 12.885 1.00 0.00 H ATOM 104 HZ3 LYS A 7 40.046 9.001 11.500 1.00 0.00 H ATOM 105 H LYS A 7 32.349 12.007 11.716 1.00 0.00 H ATOM 106 N PHE A 8 32.006 8.744 11.618 1.00 7.88 N ATOM 107 CA PHE A 8 31.334 7.442 11.742 1.00 7.81 C ATOM 108 C PHE A 8 30.343 7.218 10.594 1.00 7.84 C ATOM 109 O PHE A 8 30.310 6.142 10.000 1.00 8.29 O ATOM 110 CB PHE A 8 30.621 7.307 13.096 1.00 7.69 C ATOM 111 CG PHE A 8 29.873 5.996 13.249 1.00 6.77 C ATOM 112 CD1 PHE A 8 28.566 5.871 12.794 1.00 7.68 C ATOM 113 CD2 PHE A 8 30.509 4.868 13.783 1.00 7.96 C ATOM 114 CE1 PHE A 8 27.888 4.652 12.900 1.00 7.36 C ATOM 115 CE2 PHE A 8 29.834 3.648 13.907 1.00 7.12 C ATOM 116 CZ PHE A 8 28.523 3.541 13.445 1.00 7.57 C ATOM 117 HA PHE A 8 32.105 6.674 11.685 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.366 7.376 13.889 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.909 8.126 13.196 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.547 4.941 14.107 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.329 2.789 14.361 1.00 0.00 H ATOM 122 HZ PHE A 8 27.997 2.589 13.511 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.857 4.572 12.554 1.00 0.00 H ATOM 124 HD1 PHE A 8 28.064 6.731 12.350 1.00 0.00 H ATOM 125 H PHE A 8 31.958 9.424 12.403 1.00 0.00 H ATOM 126 N GLU A 9 29.528 8.226 10.289 1.00 7.82 N ATOM 127 CA GLU A 9 28.571 8.084 9.193 1.00 7.61 C ATOM 128 C GLU A 9 29.287 7.837 7.850 1.00 7.60 C ATOM 129 O GLU A 9 28.867 6.989 7.059 1.00 8.17 O ATOM 130 CB GLU A 9 27.660 9.314 9.099 1.00 7.49 C ATOM 131 CG GLU A 9 26.712 9.434 10.293 1.00 8.39 C ATOM 132 CD GLU A 9 25.670 10.514 10.107 1.00 9.93 C ATOM 133 OE1 GLU A 9 25.200 10.718 8.950 1.00 10.69 O ATOM 134 OE2 GLU A 9 25.318 11.147 11.133 1.00 9.97 O ATOM 135 HA GLU A 9 27.952 7.213 9.408 1.00 0.00 H ATOM 136 HB2 GLU A 9 28.282 10.208 9.055 1.00 0.00 H ATOM 137 HB3 GLU A 9 27.067 9.241 8.187 1.00 0.00 H ATOM 138 HG2 GLU A 9 26.204 8.480 10.432 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.299 9.665 11.182 1.00 0.00 H ATOM 140 H GLU A 9 29.572 9.113 10.830 1.00 0.00 H ATOM 141 N ARG A 10 30.394 8.539 7.615 1.00 7.45 N ATOM 142 CA ARG A 10 31.117 8.391 6.352 1.00 7.62 C ATOM 143 C ARG A 10 31.778 7.012 6.247 1.00 7.98 C ATOM 144 O ARG A 10 31.777 6.379 5.185 1.00 8.26 O ATOM 145 CB ARG A 10 32.160 9.497 6.198 1.00 7.88 C ATOM 146 CG ARG A 10 33.039 9.316 4.955 1.00 6.41 C ATOM 147 CD ARG A 10 34.007 10.460 4.772 1.00 8.78 C ATOM 148 NE ARG A 10 34.836 10.721 5.945 1.00 8.57 N ATOM 149 CZ ARG A 10 35.956 10.069 6.246 1.00 9.69 C ATOM 150 NH1 ARG A 10 36.387 9.074 5.469 1.00 9.48 N ATOM 151 NH2 ARG A 10 36.648 10.415 7.328 1.00 9.27 N ATOM 152 HA ARG A 10 30.393 8.478 5.541 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.644 10.454 6.124 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.800 9.498 7.080 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.604 8.390 5.056 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.397 9.254 4.076 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.437 11.361 4.546 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.662 10.226 3.933 1.00 0.00 H ATOM 159 HE ARG A 10 34.528 11.473 6.594 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.263 8.568 5.710 1.00 0.00 H ATOM 161 HH11 ARG A 10 35.847 8.804 4.622 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.524 9.909 7.569 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.313 11.191 7.933 1.00 0.00 H ATOM 164 H ARG A 10 30.748 9.199 8.337 1.00 0.00 H ATOM 165 N GLN A 11 32.347 6.556 7.356 1.00 8.09 N ATOM 166 CA GLN A 11 33.084 5.297 7.346 1.00 8.75 C ATOM 167 C GLN A 11 32.176 4.085 7.425 1.00 7.87 C ATOM 168 O GLN A 11 32.526 3.011 6.925 1.00 8.52 O ATOM 169 CB GLN A 11 34.077 5.244 8.509 1.00 8.23 C ATOM 170 CG GLN A 11 35.200 6.277 8.438 1.00 10.18 C ATOM 171 CD GLN A 11 36.313 6.013 9.457 1.00 10.77 C ATOM 172 OE1 GLN A 11 37.458 6.435 9.253 1.00 16.51 O ATOM 173 NE2 GLN A 11 35.994 5.301 10.532 1.00 13.23 N ATOM 174 HA GLN A 11 33.613 5.263 6.394 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.525 5.406 9.435 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.528 4.252 8.525 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.631 6.255 7.437 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.779 7.264 8.629 1.00 0.00 H ATOM 179 HE22 GLN A 11 35.018 4.966 10.663 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.720 5.078 11.242 1.00 0.00 H ATOM 181 H GLN A 11 32.267 7.100 8.239 1.00 0.00 H ATOM 182 N HIS A 12 31.022 4.226 8.074 1.00 8.19 N ATOM 183 CA HIS A 12 30.290 3.027 8.497 1.00 7.75 C ATOM 184 C HIS A 12 28.813 2.926 8.125 1.00 8.25 C ATOM 185 O HIS A 12 28.210 1.883 8.357 1.00 8.54 O ATOM 186 CB HIS A 12 30.474 2.769 10.003 1.00 7.84 C ATOM 187 CG HIS A 12 31.899 2.558 10.405 1.00 6.41 C ATOM 188 ND1 HIS A 12 32.649 1.495 9.948 1.00 4.94 N ATOM 189 CD2 HIS A 12 32.717 3.274 11.215 1.00 6.80 C ATOM 190 CE1 HIS A 12 33.863 1.560 10.467 1.00 6.23 C ATOM 191 NE2 HIS A 12 33.930 2.636 11.237 1.00 5.31 N ATOM 192 HA HIS A 12 30.758 2.245 7.899 1.00 0.00 H ATOM 193 HB2 HIS A 12 30.085 3.628 10.550 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.904 1.880 10.273 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.458 4.188 11.750 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.671 0.850 10.291 1.00 0.00 H ATOM 197 H HIS A 12 30.645 5.173 8.278 1.00 0.00 H ATOM 198 N MET A 13 28.223 3.998 7.592 1.00 8.35 N ATOM 199 CA MET A 13 26.803 3.956 7.253 1.00 8.35 C ATOM 200 C MET A 13 26.573 3.829 5.746 1.00 8.22 C ATOM 201 O MET A 13 27.120 4.609 4.958 1.00 9.02 O ATOM 202 CB MET A 13 26.076 5.208 7.766 1.00 8.23 C ATOM 203 CG MET A 13 25.928 5.287 9.286 1.00 8.84 C ATOM 204 SD MET A 13 24.990 3.927 10.047 1.00 8.73 S ATOM 205 CE MET A 13 23.431 4.030 9.156 1.00 7.62 C ATOM 206 HA MET A 13 26.397 3.070 7.741 1.00 0.00 H ATOM 207 HB2 MET A 13 26.633 6.084 7.433 1.00 0.00 H ATOM 208 HB3 MET A 13 25.079 5.225 7.327 1.00 0.00 H ATOM 209 HG2 MET A 13 25.422 6.222 9.527 1.00 0.00 H ATOM 210 HG3 MET A 13 26.927 5.293 9.722 1.00 0.00 H ATOM 211 HE1 MET A 13 22.983 5.010 9.322 1.00 0.00 H ATOM 212 HE2 MET A 13 23.613 3.887 8.091 1.00 0.00 H ATOM 213 HE3 MET A 13 22.755 3.255 9.518 1.00 0.00 H ATOM 214 H MET A 13 28.774 4.863 7.418 1.00 0.00 H ATOM 215 N ASP A 14 25.751 2.867 5.342 1.00 8.03 N ATOM 216 CA ASP A 14 25.265 2.835 3.968 1.00 7.81 C ATOM 217 C ASP A 14 23.828 2.346 3.926 1.00 7.44 C ATOM 218 O ASP A 14 23.555 1.206 3.539 1.00 6.45 O ATOM 219 CB ASP A 14 26.149 1.991 3.042 1.00 8.47 C ATOM 220 CG ASP A 14 25.713 2.088 1.580 1.00 9.83 C ATOM 221 OD1 ASP A 14 25.025 3.076 1.225 1.00 11.44 O ATOM 222 OD2 ASP A 14 26.043 1.181 0.794 1.00 11.24 O ATOM 223 HA ASP A 14 25.309 3.858 3.594 1.00 0.00 H ATOM 224 HB2 ASP A 14 27.178 2.340 3.125 1.00 0.00 H ATOM 225 HB3 ASP A 14 26.093 0.949 3.357 1.00 0.00 H ATOM 226 H ASP A 14 25.451 2.130 6.012 1.00 0.00 H ATOM 227 N SER A 15 22.920 3.227 4.333 1.00 8.39 N ATOM 228 CA SER A 15 21.499 2.917 4.397 1.00 10.12 C ATOM 229 C SER A 15 20.849 2.743 3.020 1.00 12.41 C ATOM 230 O SER A 15 19.792 2.130 2.926 1.00 13.84 O ATOM 231 CB SER A 15 20.746 4.001 5.177 1.00 9.41 C ATOM 232 OG SER A 15 21.349 4.273 6.428 1.00 8.97 O ATOM 233 HA SER A 15 21.427 1.959 4.912 1.00 0.00 H ATOM 234 HB2 SER A 15 19.722 3.666 5.345 1.00 0.00 H ATOM 235 HB3 SER A 15 20.735 4.916 4.585 1.00 0.00 H ATOM 236 HG SER A 15 21.357 3.448 6.975 1.00 0.00 H ATOM 237 H SER A 15 23.237 4.176 4.617 1.00 0.00 H ATOM 238 N SER A 16 21.486 3.263 1.969 1.00 14.92 N ATOM 239 CA SER A 16 20.904 3.287 0.609 1.00 17.82 C ATOM 240 C SER A 16 20.745 1.909 -0.041 1.00 19.34 C ATOM 241 O SER A 16 19.959 1.746 -0.979 1.00 19.74 O ATOM 242 CB SER A 16 21.717 4.201 -0.319 1.00 17.84 C ATOM 243 OG SER A 16 21.872 5.498 0.238 1.00 19.72 O ATOM 244 HA SER A 16 19.897 3.681 0.744 1.00 0.00 H ATOM 245 HB2 SER A 16 21.201 4.285 -1.276 1.00 0.00 H ATOM 246 HB3 SER A 16 22.702 3.762 -0.476 1.00 0.00 H ATOM 247 HG SER A 16 22.345 5.429 1.105 1.00 0.00 H ATOM 248 H SER A 16 22.433 3.669 2.112 1.00 0.00 H ATOM 249 N THR A 17 21.503 0.931 0.446 1.00 21.42 N ATOM 250 CA THR A 17 21.415 -0.441 -0.053 1.00 23.03 C ATOM 251 C THR A 17 20.961 -1.365 1.071 1.00 23.91 C ATOM 252 O THR A 17 21.456 -1.274 2.192 1.00 24.03 O ATOM 253 CB THR A 17 22.741 -0.924 -0.675 1.00 23.16 C ATOM 254 OG1 THR A 17 23.810 -0.776 0.268 1.00 23.47 O ATOM 255 CG2 THR A 17 23.064 -0.124 -1.936 1.00 24.24 C ATOM 256 HA THR A 17 20.677 -0.463 -0.854 1.00 0.00 H ATOM 257 HB THR A 17 22.632 -1.976 -0.939 1.00 0.00 H ATOM 258 HG1 THR A 17 24.655 -1.089 -0.141 1.00 0.00 H ATOM 259 HG23 THR A 17 22.251 -0.236 -2.654 1.00 0.00 H ATOM 260 HG21 THR A 17 23.180 0.929 -1.677 1.00 0.00 H ATOM 261 HG22 THR A 17 23.991 -0.496 -2.373 1.00 0.00 H ATOM 262 H THR A 17 22.179 1.148 1.205 1.00 0.00 H ATOM 263 N SER A 18 19.992 -2.228 0.764 1.00 24.81 N ATOM 264 CA SER A 18 19.356 -3.089 1.764 1.00 25.67 C ATOM 265 C SER A 18 20.251 -4.257 2.175 1.00 26.11 C ATOM 266 O SER A 18 20.472 -4.496 3.372 1.00 26.25 O ATOM 267 CB SER A 18 18.011 -3.611 1.241 1.00 25.63 C ATOM 268 OG SER A 18 17.198 -2.551 0.768 1.00 25.95 O ATOM 269 HA SER A 18 19.187 -2.480 2.652 1.00 0.00 H ATOM 270 HB2 SER A 18 17.491 -4.125 2.049 1.00 0.00 H ATOM 271 HB3 SER A 18 18.194 -4.310 0.425 1.00 0.00 H ATOM 272 HG SER A 18 17.025 -1.915 1.506 1.00 0.00 H ATOM 273 H SER A 18 19.675 -2.292 -0.224 1.00 0.00 H ATOM 274 N ALA A 19 20.750 -4.969 1.164 1.00 26.76 N ATOM 275 CA ALA A 19 21.572 -6.168 1.320 1.00 27.02 C ATOM 276 C ALA A 19 21.741 -6.833 -0.046 1.00 27.15 C ATOM 277 O ALA A 19 21.330 -7.978 -0.242 1.00 27.45 O ATOM 278 CB ALA A 19 20.943 -7.144 2.331 1.00 27.18 C ATOM 279 HA ALA A 19 22.550 -5.885 1.711 1.00 0.00 H ATOM 280 HB1 ALA A 19 20.854 -6.653 3.300 1.00 0.00 H ATOM 281 HB2 ALA A 19 19.955 -7.441 1.980 1.00 0.00 H ATOM 282 HB3 ALA A 19 21.577 -8.026 2.426 1.00 0.00 H ATOM 283 H ALA A 19 20.540 -4.649 0.197 1.00 0.00 H ATOM 284 N ALA A 20 22.338 -6.104 -0.991 1.00 27.13 N ATOM 285 CA ALA A 20 22.576 -6.618 -2.340 1.00 26.92 C ATOM 286 C ALA A 20 23.977 -6.256 -2.839 1.00 26.82 C ATOM 287 O ALA A 20 24.242 -6.266 -4.049 1.00 27.11 O ATOM 288 CB ALA A 20 21.496 -6.113 -3.307 1.00 26.91 C ATOM 289 HA ALA A 20 22.518 -7.706 -2.300 1.00 0.00 H ATOM 290 HB1 ALA A 20 20.518 -6.452 -2.966 1.00 0.00 H ATOM 291 HB2 ALA A 20 21.515 -5.024 -3.334 1.00 0.00 H ATOM 292 HB3 ALA A 20 21.691 -6.506 -4.305 1.00 0.00 H ATOM 293 H ALA A 20 22.645 -5.137 -0.761 1.00 0.00 H ATOM 294 N SER A 21 24.862 -5.948 -1.890 1.00 26.41 N ATOM 295 CA SER A 21 26.258 -5.595 -2.158 1.00 25.91 C ATOM 296 C SER A 21 26.901 -6.558 -3.137 1.00 25.85 C ATOM 297 O SER A 21 27.081 -7.741 -2.824 1.00 26.14 O ATOM 298 CB SER A 21 27.057 -5.598 -0.855 1.00 26.38 C ATOM 299 OG SER A 21 26.511 -4.680 0.066 1.00 25.28 O ATOM 300 HA SER A 21 26.265 -4.599 -2.600 1.00 0.00 H ATOM 301 HB2 SER A 21 28.090 -5.321 -1.067 1.00 0.00 H ATOM 302 HB3 SER A 21 27.032 -6.598 -0.422 1.00 0.00 H ATOM 303 HG SER A 21 25.574 -4.931 0.264 1.00 0.00 H ATOM 304 H SER A 21 24.542 -5.959 -0.901 1.00 0.00 H ATOM 305 N SER A 22 27.242 -6.050 -4.319 1.00 25.08 N ATOM 306 CA SER A 22 27.882 -6.872 -5.353 1.00 24.54 C ATOM 307 C SER A 22 29.318 -7.191 -4.965 1.00 23.91 C ATOM 308 O SER A 22 29.850 -6.627 -4.000 1.00 24.95 O ATOM 309 CB SER A 22 27.879 -6.160 -6.705 1.00 24.52 C ATOM 310 OG SER A 22 28.864 -5.144 -6.744 1.00 24.62 O ATOM 311 HA SER A 22 27.310 -7.796 -5.438 1.00 0.00 H ATOM 312 HB2 SER A 22 26.899 -5.713 -6.871 1.00 0.00 H ATOM 313 HB3 SER A 22 28.084 -6.886 -7.491 1.00 0.00 H ATOM 314 HG SER A 22 28.842 -4.699 -7.628 1.00 0.00 H ATOM 315 H SER A 22 27.050 -5.047 -4.515 1.00 0.00 H ATOM 316 N SER A 23 29.958 -8.076 -5.728 1.00 23.34 N ATOM 317 CA SER A 23 31.366 -8.393 -5.478 1.00 22.29 C ATOM 318 C SER A 23 32.265 -7.167 -5.662 1.00 21.14 C ATOM 319 O SER A 23 33.385 -7.144 -5.174 1.00 21.94 O ATOM 320 CB SER A 23 31.840 -9.588 -6.322 1.00 22.71 C ATOM 321 OG SER A 23 31.451 -9.472 -7.675 1.00 22.64 O ATOM 322 HA SER A 23 31.448 -8.692 -4.433 1.00 0.00 H ATOM 323 HB2 SER A 23 31.411 -10.501 -5.910 1.00 0.00 H ATOM 324 HB3 SER A 23 32.927 -9.644 -6.272 1.00 0.00 H ATOM 325 HG SER A 23 31.776 -10.260 -8.179 1.00 0.00 H ATOM 326 H SER A 23 29.454 -8.545 -6.507 1.00 0.00 H ATOM 327 N ASN A 24 31.744 -6.145 -6.349 1.00 19.76 N ATOM 328 CA ASN A 24 32.456 -4.878 -6.569 1.00 18.05 C ATOM 329 C ASN A 24 32.287 -3.885 -5.421 1.00 16.74 C ATOM 330 O ASN A 24 32.999 -2.887 -5.356 1.00 16.14 O ATOM 331 CB ASN A 24 31.965 -4.188 -7.853 1.00 18.18 C ATOM 332 CG ASN A 24 32.201 -5.013 -9.100 1.00 18.94 C ATOM 333 OD1 ASN A 24 33.257 -5.624 -9.274 1.00 19.62 O ATOM 334 ND2 ASN A 24 31.219 -5.014 -9.993 1.00 19.72 N ATOM 335 HA ASN A 24 33.509 -5.151 -6.646 1.00 0.00 H ATOM 336 HB2 ASN A 24 30.895 -4.000 -7.759 1.00 0.00 H ATOM 337 HB3 ASN A 24 32.491 -3.239 -7.960 1.00 0.00 H ATOM 338 HD22 ASN A 24 30.344 -4.484 -9.805 1.00 0.00 H ATOM 339 HD21 ASN A 24 31.324 -5.545 -10.881 1.00 0.00 H ATOM 340 H ASN A 24 30.789 -6.252 -6.747 1.00 0.00 H ATOM 341 N TYR A 25 31.328 -4.159 -4.541 1.00 15.51 N ATOM 342 CA TYR A 25 30.862 -3.171 -3.567 1.00 14.68 C ATOM 343 C TYR A 25 31.984 -2.565 -2.717 1.00 14.35 C ATOM 344 O TYR A 25 32.166 -1.336 -2.691 1.00 14.50 O ATOM 345 CB TYR A 25 29.766 -3.783 -2.688 1.00 14.25 C ATOM 346 CG TYR A 25 29.254 -2.884 -1.589 1.00 14.28 C ATOM 347 CD1 TYR A 25 28.177 -2.027 -1.805 1.00 13.30 C ATOM 348 CD2 TYR A 25 29.842 -2.901 -0.323 1.00 14.27 C ATOM 349 CE1 TYR A 25 27.692 -1.203 -0.780 1.00 13.76 C ATOM 350 CE2 TYR A 25 29.372 -2.098 0.695 1.00 14.02 C ATOM 351 CZ TYR A 25 28.301 -1.244 0.469 1.00 13.97 C ATOM 352 OH TYR A 25 27.850 -0.437 1.495 1.00 13.90 O ATOM 353 HA TYR A 25 30.450 -2.337 -4.135 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.166 -4.686 -2.228 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.925 -4.046 -3.330 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.689 -3.561 -0.136 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.842 -2.134 1.678 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.847 -0.538 -0.960 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.704 -1.997 -2.787 1.00 0.00 H ATOM 360 HH TYR A 25 27.088 0.107 1.174 1.00 0.00 H ATOM 361 H TYR A 25 30.896 -5.105 -4.545 1.00 0.00 H ATOM 362 N CYS A 26 32.737 -3.409 -2.024 1.00 14.13 N ATOM 363 CA CYS A 26 33.819 -2.889 -1.165 1.00 13.69 C ATOM 364 C CYS A 26 34.882 -2.125 -1.939 1.00 13.92 C ATOM 365 O CYS A 26 35.337 -1.069 -1.494 1.00 14.01 O ATOM 366 CB CYS A 26 34.439 -3.987 -0.312 1.00 13.72 C ATOM 367 SG CYS A 26 33.321 -4.544 0.959 1.00 13.06 S ATOM 368 HA CYS A 26 33.348 -2.169 -0.496 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.344 -3.602 0.157 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.695 -4.831 -0.953 1.00 0.00 H ATOM 371 H CYS A 26 32.566 -4.433 -2.086 1.00 0.00 H ATOM 372 N ASN A 27 35.278 -2.642 -3.098 1.00 13.52 N ATOM 373 CA ASN A 27 36.216 -1.910 -3.937 1.00 13.92 C ATOM 374 C ASN A 27 35.763 -0.479 -4.229 1.00 14.44 C ATOM 375 O ASN A 27 36.561 0.452 -4.159 1.00 15.47 O ATOM 376 CB ASN A 27 36.473 -2.667 -5.239 1.00 13.27 C ATOM 377 CG ASN A 27 37.233 -3.957 -5.017 1.00 13.51 C ATOM 378 OD1 ASN A 27 37.957 -4.109 -4.024 1.00 12.88 O ATOM 379 ND2 ASN A 27 37.096 -4.890 -5.958 1.00 14.28 N ATOM 380 HA ASN A 27 37.147 -1.835 -3.374 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.515 -2.900 -5.703 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.053 -2.029 -5.906 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.476 -4.717 -6.775 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.609 -5.791 -5.876 1.00 0.00 H ATOM 385 H ASN A 27 34.918 -3.568 -3.405 1.00 0.00 H ATOM 386 N GLN A 28 34.484 -0.318 -4.561 1.00 14.10 N ATOM 387 CA GLN A 28 33.926 0.990 -4.893 1.00 15.00 C ATOM 388 C GLN A 28 33.736 1.856 -3.656 1.00 14.87 C ATOM 389 O GLN A 28 34.082 3.032 -3.657 1.00 15.21 O ATOM 390 CB GLN A 28 32.589 0.833 -5.622 1.00 15.08 C ATOM 391 CG GLN A 28 32.707 0.173 -6.988 1.00 17.74 C ATOM 392 CD GLN A 28 31.374 -0.353 -7.497 1.00 20.78 C ATOM 393 OE1 GLN A 28 30.407 -0.475 -6.736 1.00 23.24 O ATOM 394 NE2 GLN A 28 31.319 -0.676 -8.788 1.00 22.44 N ATOM 395 HA GLN A 28 34.641 1.488 -5.548 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.929 0.226 -5.003 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.152 1.823 -5.755 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.089 0.906 -7.699 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.407 -0.659 -6.915 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.158 -0.556 -9.390 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.437 -1.048 -9.194 1.00 0.00 H ATOM 402 H GLN A 28 33.862 -1.151 -4.585 1.00 0.00 H ATOM 403 N MET A 29 33.186 1.256 -2.604 1.00 15.16 N ATOM 404 CA MET A 29 32.815 1.994 -1.396 1.00 14.89 C ATOM 405 C MET A 29 33.998 2.433 -0.551 1.00 15.04 C ATOM 406 O MET A 29 33.993 3.535 0.013 1.00 15.08 O ATOM 407 CB MET A 29 31.857 1.163 -0.543 1.00 15.17 C ATOM 408 CG MET A 29 30.465 1.063 -1.116 1.00 15.68 C ATOM 409 SD MET A 29 29.601 2.639 -0.998 1.00 18.10 S ATOM 410 CE MET A 29 29.223 2.717 0.757 1.00 17.38 C ATOM 411 HA MET A 29 32.328 2.905 -1.743 1.00 0.00 H ATOM 412 HB2 MET A 29 32.264 0.156 -0.450 1.00 0.00 H ATOM 413 HB3 MET A 29 31.791 1.620 0.445 1.00 0.00 H ATOM 414 HG2 MET A 29 29.906 0.308 -0.564 1.00 0.00 H ATOM 415 HG3 MET A 29 30.531 0.770 -2.164 1.00 0.00 H ATOM 416 HE1 MET A 29 28.602 1.865 1.032 1.00 0.00 H ATOM 417 HE2 MET A 29 30.151 2.691 1.329 1.00 0.00 H ATOM 418 HE3 MET A 29 28.688 3.642 0.971 1.00 0.00 H ATOM 419 H MET A 29 33.014 0.231 -2.641 1.00 0.00 H ATOM 420 N MET A 30 34.999 1.563 -0.432 1.00 14.70 N ATOM 421 CA MET A 30 36.203 1.917 0.307 1.00 14.77 C ATOM 422 C MET A 30 36.877 3.145 -0.315 1.00 15.20 C ATOM 423 O MET A 30 37.334 4.027 0.406 1.00 15.90 O ATOM 424 CB MET A 30 37.159 0.726 0.416 1.00 15.14 C ATOM 425 CG MET A 30 36.620 -0.429 1.265 1.00 13.77 C ATOM 426 SD MET A 30 36.343 0.020 3.000 1.00 13.09 S ATOM 427 CE MET A 30 38.025 0.122 3.603 1.00 11.43 C ATOM 428 HA MET A 30 35.916 2.183 1.324 1.00 0.00 H ATOM 429 HB2 MET A 30 37.356 0.351 -0.588 1.00 0.00 H ATOM 430 HB3 MET A 30 38.091 1.074 0.862 1.00 0.00 H ATOM 431 HG2 MET A 30 37.338 -1.248 1.230 1.00 0.00 H ATOM 432 HG3 MET A 30 35.673 -0.759 0.838 1.00 0.00 H ATOM 433 HE1 MET A 30 38.514 -0.844 3.477 1.00 0.00 H ATOM 434 HE2 MET A 30 38.566 0.881 3.039 1.00 0.00 H ATOM 435 HE3 MET A 30 38.015 0.391 4.659 1.00 0.00 H ATOM 436 H MET A 30 34.920 0.623 -0.870 1.00 0.00 H ATOM 437 N LYS A 31 36.901 3.202 -1.646 1.00 15.37 N ATOM 438 CA LYS A 31 37.405 4.366 -2.381 1.00 15.32 C ATOM 439 C LYS A 31 36.494 5.595 -2.229 1.00 15.40 C ATOM 440 O LYS A 31 36.958 6.667 -1.827 1.00 15.27 O ATOM 441 CB LYS A 31 37.614 4.014 -3.857 1.00 15.37 C ATOM 442 CG LYS A 31 38.241 5.129 -4.690 1.00 16.64 C ATOM 443 CD LYS A 31 38.720 4.606 -6.041 1.00 19.02 C ATOM 444 CE LYS A 31 39.413 5.693 -6.847 1.00 19.55 C ATOM 445 NZ LYS A 31 39.880 5.191 -8.177 1.00 22.04 N ATOM 446 HA LYS A 31 38.367 4.636 -1.944 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.265 3.141 -3.911 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.644 3.769 -4.290 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.499 5.911 -4.854 1.00 0.00 H ATOM 450 HG3 LYS A 31 39.091 5.544 -4.147 1.00 0.00 H ATOM 451 HD2 LYS A 31 39.420 3.787 -5.876 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.861 4.241 -6.604 1.00 0.00 H ATOM 453 HE2 LYS A 31 40.274 6.054 -6.284 1.00 0.00 H ATOM 454 HE3 LYS A 31 38.714 6.514 -7.006 1.00 0.00 H ATOM 455 HZ1 LYS A 31 40.553 4.411 -8.035 1.00 0.00 H ATOM 456 HZ2 LYS A 31 39.064 4.850 -8.724 1.00 0.00 H ATOM 457 HZ3 LYS A 31 40.347 5.964 -8.694 1.00 0.00 H ATOM 458 H LYS A 31 36.547 2.387 -2.186 1.00 0.00 H ATOM 459 N SER A 32 35.200 5.434 -2.514 1.00 15.24 N ATOM 460 CA SER A 32 34.277 6.579 -2.537 1.00 15.15 C ATOM 461 C SER A 32 34.114 7.258 -1.179 1.00 15.03 C ATOM 462 O SER A 32 33.835 8.463 -1.106 1.00 14.87 O ATOM 463 CB SER A 32 32.913 6.187 -3.111 1.00 15.48 C ATOM 464 OG SER A 32 32.307 5.155 -2.356 1.00 15.78 O ATOM 465 HA SER A 32 34.738 7.314 -3.197 1.00 0.00 H ATOM 466 HB2 SER A 32 33.046 5.844 -4.137 1.00 0.00 H ATOM 467 HB3 SER A 32 32.261 7.061 -3.103 1.00 0.00 H ATOM 468 HG SER A 32 31.430 4.928 -2.754 1.00 0.00 H ATOM 469 H SER A 32 34.838 4.482 -2.724 1.00 0.00 H ATOM 470 N ARG A 33 34.294 6.483 -0.115 1.00 15.27 N ATOM 471 CA ARG A 33 34.180 7.000 1.254 1.00 15.83 C ATOM 472 C ARG A 33 35.526 7.445 1.821 1.00 16.49 C ATOM 473 O ARG A 33 35.646 7.743 3.020 1.00 16.56 O ATOM 474 CB ARG A 33 33.537 5.968 2.190 1.00 16.05 C ATOM 475 CG ARG A 33 32.096 5.605 1.845 1.00 16.34 C ATOM 476 CD ARG A 33 31.167 6.819 1.860 1.00 16.72 C ATOM 477 NE ARG A 33 29.777 6.423 1.636 1.00 17.46 N ATOM 478 CZ ARG A 33 28.956 6.002 2.596 1.00 16.29 C ATOM 479 NH1 ARG A 33 29.382 5.931 3.853 1.00 16.14 N ATOM 480 NH2 ARG A 33 27.706 5.664 2.304 1.00 17.45 N ATOM 481 HA ARG A 33 33.534 7.876 1.196 1.00 0.00 H ATOM 482 HB2 ARG A 33 34.135 5.057 2.154 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.553 6.371 3.203 1.00 0.00 H ATOM 484 HG2 ARG A 33 32.076 5.161 0.850 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.734 4.879 2.573 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.471 7.510 1.074 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.244 7.315 2.828 1.00 0.00 H ATOM 488 HE ARG A 33 29.406 6.473 0.666 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.740 5.602 4.602 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.358 6.204 4.088 1.00 0.00 H ATOM 491 HH22 ARG A 33 27.067 5.336 3.056 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.366 5.728 1.323 1.00 0.00 H ATOM 493 H ARG A 33 34.523 5.478 -0.257 1.00 0.00 H ATOM 494 N ASN A 34 36.535 7.486 0.953 1.00 17.34 N ATOM 495 CA ASN A 34 37.836 8.056 1.289 1.00 18.28 C ATOM 496 C ASN A 34 38.598 7.249 2.344 1.00 18.49 C ATOM 497 O ASN A 34 39.328 7.807 3.173 1.00 19.03 O ATOM 498 CB ASN A 34 37.676 9.525 1.704 1.00 18.66 C ATOM 499 CG ASN A 34 36.762 10.305 0.757 1.00 20.21 C ATOM 500 OD1 ASN A 34 37.079 10.495 -0.417 1.00 23.44 O ATOM 501 ND2 ASN A 34 35.616 10.751 1.273 1.00 23.97 N ATOM 502 HA ASN A 34 38.450 8.007 0.390 1.00 0.00 H ATOM 503 HB2 ASN A 34 37.252 9.561 2.708 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.659 9.996 1.709 1.00 0.00 H ATOM 505 HD22 ASN A 34 35.389 10.567 2.271 1.00 0.00 H ATOM 506 HD21 ASN A 34 34.950 11.283 0.677 1.00 0.00 H ATOM 507 H ASN A 34 36.391 7.097 -0.001 1.00 0.00 H ATOM 508 N LEU A 35 38.431 5.929 2.294 1.00 18.75 N ATOM 509 CA LEU A 35 39.085 5.023 3.232 1.00 18.95 C ATOM 510 C LEU A 35 40.335 4.402 2.621 1.00 19.38 C ATOM 511 O LEU A 35 40.974 3.538 3.231 1.00 19.40 O ATOM 512 CB LEU A 35 38.102 3.939 3.702 1.00 18.32 C ATOM 513 CG LEU A 35 36.778 4.491 4.242 1.00 18.80 C ATOM 514 CD1 LEU A 35 35.906 3.357 4.682 1.00 17.74 C ATOM 515 CD2 LEU A 35 37.022 5.457 5.389 1.00 19.96 C ATOM 516 HA LEU A 35 39.400 5.602 4.100 1.00 0.00 H ATOM 517 HB2 LEU A 35 37.882 3.285 2.858 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.581 3.361 4.492 1.00 0.00 H ATOM 519 HG LEU A 35 36.274 5.041 3.447 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.541 4.938 6.195 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.632 6.289 5.038 1.00 0.00 H ATOM 522 HD23 LEU A 35 36.067 5.834 5.754 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.708 2.702 3.833 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.412 2.794 5.466 1.00 0.00 H ATOM 525 HD13 LEU A 35 34.965 3.752 5.066 1.00 0.00 H ATOM 526 H LEU A 35 37.812 5.529 1.560 1.00 0.00 H ATOM 527 N THR A 36 40.680 4.854 1.417 1.00 19.72 N ATOM 528 CA THR A 36 41.861 4.347 0.698 1.00 20.19 C ATOM 529 C THR A 36 42.822 5.469 0.266 1.00 20.60 C ATOM 530 O THR A 36 43.670 5.275 -0.614 1.00 20.49 O ATOM 531 CB THR A 36 41.453 3.494 -0.531 1.00 20.23 C ATOM 532 OG1 THR A 36 40.855 4.335 -1.528 1.00 20.91 O ATOM 533 CG2 THR A 36 40.471 2.377 -0.140 1.00 20.45 C ATOM 534 HA THR A 36 42.395 3.713 1.406 1.00 0.00 H ATOM 535 HB THR A 36 42.354 3.028 -0.931 1.00 0.00 H ATOM 536 HG1 THR A 36 40.597 3.785 -2.310 1.00 0.00 H ATOM 537 HG23 THR A 36 40.929 1.741 0.617 1.00 0.00 H ATOM 538 HG21 THR A 36 39.559 2.820 0.259 1.00 0.00 H ATOM 539 HG22 THR A 36 40.231 1.781 -1.021 1.00 0.00 H ATOM 540 H THR A 36 40.096 5.589 0.970 1.00 0.00 H ATOM 541 N LYS A 37 42.698 6.634 0.900 1.00 20.88 N ATOM 542 CA LYS A 37 43.472 7.810 0.508 1.00 21.42 C ATOM 543 C LYS A 37 44.920 7.731 0.995 1.00 20.93 C ATOM 544 O LYS A 37 45.853 7.926 0.210 1.00 21.24 O ATOM 545 CB LYS A 37 42.796 9.104 0.992 1.00 21.40 C ATOM 546 CG LYS A 37 43.409 10.377 0.416 1.00 22.57 C ATOM 547 CD LYS A 37 42.846 11.633 1.069 1.00 22.62 C ATOM 548 CE LYS A 37 43.561 12.876 0.563 1.00 24.05 C ATOM 549 NZ LYS A 37 43.108 14.113 1.261 1.00 25.15 N ATOM 550 HA LYS A 37 43.499 7.828 -0.582 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.745 9.070 0.706 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.875 9.147 2.078 1.00 0.00 H ATOM 553 HG2 LYS A 37 44.487 10.351 0.575 1.00 0.00 H ATOM 554 HG3 LYS A 37 43.202 10.414 -0.653 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.784 11.712 0.835 1.00 0.00 H ATOM 556 HD3 LYS A 37 42.974 11.562 2.149 1.00 0.00 H ATOM 557 HE2 LYS A 37 43.365 12.984 -0.504 1.00 0.00 H ATOM 558 HE3 LYS A 37 44.632 12.755 0.724 1.00 0.00 H ATOM 559 HZ1 LYS A 37 42.088 14.243 1.107 1.00 0.00 H ATOM 560 HZ2 LYS A 37 43.298 14.024 2.280 1.00 0.00 H ATOM 561 HZ3 LYS A 37 43.624 14.932 0.881 1.00 0.00 H ATOM 562 H LYS A 37 42.032 6.709 1.696 1.00 0.00 H ATOM 563 N ASP A 38 45.104 7.460 2.285 1.00 20.59 N ATOM 564 CA ASP A 38 46.442 7.452 2.892 1.00 20.14 C ATOM 565 C ASP A 38 47.082 6.065 2.896 1.00 19.24 C ATOM 566 O ASP A 38 48.310 5.929 2.863 1.00 19.09 O ATOM 567 CB ASP A 38 46.386 8.013 4.316 1.00 20.87 C ATOM 568 CG ASP A 38 46.113 9.508 4.348 1.00 22.58 C ATOM 569 OD1 ASP A 38 46.815 10.271 3.648 1.00 25.38 O ATOM 570 OD2 ASP A 38 45.200 9.928 5.090 1.00 24.99 O ATOM 571 HA ASP A 38 47.072 8.091 2.273 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.593 7.502 4.861 1.00 0.00 H ATOM 573 HB3 ASP A 38 47.342 7.822 4.804 1.00 0.00 H ATOM 574 H ASP A 38 44.278 7.248 2.880 1.00 0.00 H ATOM 575 N ARG A 39 46.225 5.049 2.960 1.00 18.15 N ATOM 576 CA ARG A 39 46.597 3.641 2.915 1.00 17.13 C ATOM 577 C ARG A 39 45.342 2.838 2.600 1.00 16.11 C ATOM 578 O ARG A 39 44.241 3.390 2.579 1.00 17.14 O ATOM 579 CB ARG A 39 47.214 3.170 4.240 1.00 17.34 C ATOM 580 CG ARG A 39 46.283 3.152 5.458 1.00 18.72 C ATOM 581 CD ARG A 39 46.799 2.150 6.486 1.00 21.62 C ATOM 582 NE ARG A 39 46.713 2.639 7.862 1.00 24.06 N ATOM 583 CZ ARG A 39 45.656 2.503 8.664 1.00 24.97 C ATOM 584 NH1 ARG A 39 44.553 1.894 8.250 1.00 25.29 N ATOM 585 NH2 ARG A 39 45.705 2.986 9.899 1.00 25.72 N ATOM 586 HA ARG A 39 47.355 3.493 2.146 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.585 2.156 4.091 1.00 0.00 H ATOM 588 HB3 ARG A 39 48.049 3.831 4.471 1.00 0.00 H ATOM 589 HG2 ARG A 39 46.251 4.146 5.905 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.280 2.864 5.143 1.00 0.00 H ATOM 591 HD2 ARG A 39 47.842 1.929 6.261 1.00 0.00 H ATOM 592 HD3 ARG A 39 46.210 1.236 6.405 1.00 0.00 H ATOM 593 HE ARG A 39 47.544 3.133 8.246 1.00 0.00 H ATOM 594 HH12 ARG A 39 43.740 1.798 8.891 1.00 0.00 H ATOM 595 HH11 ARG A 39 44.501 1.512 7.284 1.00 0.00 H ATOM 596 HH22 ARG A 39 44.885 2.884 10.530 1.00 0.00 H ATOM 597 HH21 ARG A 39 46.564 3.467 10.236 1.00 0.00 H ATOM 598 H ARG A 39 45.214 5.277 3.049 1.00 0.00 H ATOM 599 N CYS A 40 45.493 1.542 2.368 1.00 14.38 N ATOM 600 CA CYS A 40 44.317 0.682 2.274 1.00 12.53 C ATOM 601 C CYS A 40 43.878 0.370 3.699 1.00 12.47 C ATOM 602 O CYS A 40 44.593 -0.331 4.423 1.00 12.62 O ATOM 603 CB CYS A 40 44.636 -0.615 1.526 1.00 12.42 C ATOM 604 SG CYS A 40 45.363 -0.411 -0.118 1.00 9.57 S ATOM 605 HA CYS A 40 43.527 1.186 1.717 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.708 -1.176 1.415 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.336 -1.189 2.133 1.00 0.00 H ATOM 608 H CYS A 40 46.445 1.139 2.253 1.00 0.00 H ATOM 609 N LYS A 41 42.736 0.917 4.125 1.00 11.80 N ATOM 610 CA LYS A 41 42.201 0.557 5.442 1.00 11.29 C ATOM 611 C LYS A 41 41.929 -0.949 5.392 1.00 11.13 C ATOM 612 O LYS A 41 41.226 -1.411 4.502 1.00 10.39 O ATOM 613 CB LYS A 41 40.929 1.336 5.790 1.00 11.37 C ATOM 614 CG LYS A 41 40.380 0.980 7.167 1.00 11.43 C ATOM 615 CD LYS A 41 39.276 1.922 7.607 1.00 9.62 C ATOM 616 CE LYS A 41 38.758 1.512 8.995 1.00 12.36 C ATOM 617 NZ LYS A 41 37.618 2.352 9.456 1.00 14.51 N ATOM 618 HA LYS A 41 42.916 0.812 6.224 1.00 0.00 H ATOM 619 HB2 LYS A 41 41.156 2.402 5.769 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.168 1.113 5.042 1.00 0.00 H ATOM 621 HG2 LYS A 41 39.983 -0.035 7.135 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.192 1.029 7.892 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.666 2.939 7.653 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.457 1.880 6.889 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.573 1.606 9.713 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.431 0.473 8.952 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.921 3.346 9.510 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.830 2.264 8.783 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.310 2.031 10.396 1.00 0.00 H ATOM 630 H LYS A 41 42.228 1.597 3.524 1.00 0.00 H ATOM 631 N PRO A 42 42.529 -1.720 6.312 1.00 11.03 N ATOM 632 CA PRO A 42 42.490 -3.186 6.227 1.00 10.84 C ATOM 633 C PRO A 42 41.102 -3.821 6.405 1.00 10.76 C ATOM 634 O PRO A 42 40.758 -4.758 5.683 1.00 10.94 O ATOM 635 CB PRO A 42 43.446 -3.628 7.346 1.00 11.30 C ATOM 636 CG PRO A 42 44.255 -2.408 7.670 1.00 11.80 C ATOM 637 CD PRO A 42 43.338 -1.261 7.455 1.00 11.39 C ATOM 638 HA PRO A 42 42.772 -3.515 5.227 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.717 -1.081 8.332 1.00 0.00 H ATOM 640 HD2 PRO A 42 43.890 -0.354 7.210 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.119 -2.336 7.009 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.593 -2.438 8.706 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.886 -3.960 8.220 1.00 0.00 H ATOM 644 HB3 PRO A 42 44.092 -4.436 7.002 1.00 0.00 H ATOM 645 N VAL A 43 40.317 -3.319 7.355 1.00 9.68 N ATOM 646 CA VAL A 43 38.995 -3.882 7.649 1.00 9.27 C ATOM 647 C VAL A 43 38.022 -2.745 7.927 1.00 8.45 C ATOM 648 O VAL A 43 38.323 -1.834 8.705 1.00 8.57 O ATOM 649 CB VAL A 43 39.022 -4.855 8.872 1.00 9.80 C ATOM 650 CG1 VAL A 43 37.616 -5.321 9.239 1.00 10.74 C ATOM 651 CG2 VAL A 43 39.916 -6.070 8.592 1.00 10.42 C ATOM 652 HA VAL A 43 38.678 -4.459 6.781 1.00 0.00 H ATOM 653 HB VAL A 43 39.436 -4.302 9.715 1.00 0.00 H ATOM 654 HG11 VAL A 43 37.004 -4.457 9.496 1.00 0.00 H ATOM 655 HG12 VAL A 43 37.174 -5.842 8.390 1.00 0.00 H ATOM 656 HG13 VAL A 43 37.670 -5.996 10.093 1.00 0.00 H ATOM 657 HG21 VAL A 43 39.533 -6.609 7.725 1.00 0.00 H ATOM 658 HG22 VAL A 43 40.933 -5.733 8.392 1.00 0.00 H ATOM 659 HG23 VAL A 43 39.915 -6.728 9.461 1.00 0.00 H ATOM 660 H VAL A 43 40.651 -2.503 7.906 1.00 0.00 H ATOM 661 N ASN A 44 36.864 -2.788 7.276 1.00 7.52 N ATOM 662 CA ASN A 44 35.844 -1.763 7.495 1.00 6.95 C ATOM 663 C ASN A 44 34.460 -2.314 7.249 1.00 6.62 C ATOM 664 O ASN A 44 34.232 -2.996 6.260 1.00 8.49 O ATOM 665 CB ASN A 44 36.085 -0.550 6.587 1.00 7.09 C ATOM 666 CG ASN A 44 35.230 0.636 6.970 1.00 6.45 C ATOM 667 OD1 ASN A 44 35.498 1.309 7.976 1.00 9.23 O ATOM 668 ND2 ASN A 44 34.174 0.887 6.193 1.00 6.18 N ATOM 669 HA ASN A 44 35.916 -1.446 8.536 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.134 -0.263 6.657 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.855 -0.831 5.559 1.00 0.00 H ATOM 672 HD22 ASN A 44 33.990 0.294 5.359 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.536 1.675 6.422 1.00 0.00 H ATOM 674 H ASN A 44 36.681 -3.560 6.603 1.00 0.00 H ATOM 675 N THR A 45 33.524 -1.973 8.124 1.00 6.10 N ATOM 676 CA THR A 45 32.145 -2.452 8.020 1.00 6.14 C ATOM 677 C THR A 45 31.167 -1.327 7.676 1.00 6.36 C ATOM 678 O THR A 45 31.242 -0.241 8.257 1.00 6.58 O ATOM 679 CB THR A 45 31.714 -3.104 9.354 1.00 5.78 C ATOM 680 OG1 THR A 45 32.629 -4.163 9.674 1.00 6.36 O ATOM 681 CG2 THR A 45 30.300 -3.655 9.266 1.00 7.60 C ATOM 682 HA THR A 45 32.117 -3.183 7.212 1.00 0.00 H ATOM 683 HB THR A 45 31.730 -2.344 10.135 1.00 0.00 H ATOM 684 HG1 THR A 45 32.615 -4.839 8.951 1.00 0.00 H ATOM 685 HG23 THR A 45 29.611 -2.846 9.023 1.00 0.00 H ATOM 686 HG21 THR A 45 30.256 -4.417 8.488 1.00 0.00 H ATOM 687 HG22 THR A 45 30.023 -4.095 10.224 1.00 0.00 H ATOM 688 H THR A 45 33.779 -1.343 8.912 1.00 0.00 H ATOM 689 N PHE A 46 30.252 -1.612 6.746 1.00 6.15 N ATOM 690 CA PHE A 46 29.138 -0.726 6.410 1.00 6.87 C ATOM 691 C PHE A 46 27.822 -1.313 6.903 1.00 6.86 C ATOM 692 O PHE A 46 27.596 -2.518 6.796 1.00 7.20 O ATOM 693 CB PHE A 46 29.062 -0.479 4.903 1.00 7.01 C ATOM 694 CG PHE A 46 30.238 0.285 4.357 1.00 6.89 C ATOM 695 CD1 PHE A 46 30.310 1.668 4.492 1.00 6.72 C ATOM 696 CD2 PHE A 46 31.286 -0.380 3.720 1.00 7.08 C ATOM 697 CE1 PHE A 46 31.400 2.375 4.009 1.00 6.89 C ATOM 698 CE2 PHE A 46 32.375 0.329 3.217 1.00 7.59 C ATOM 699 CZ PHE A 46 32.429 1.710 3.375 1.00 7.27 C ATOM 700 HA PHE A 46 29.313 0.228 6.907 1.00 0.00 H ATOM 701 HB2 PHE A 46 29.013 -1.443 4.398 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.155 0.087 4.692 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.253 -1.464 3.615 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.180 -0.196 2.703 1.00 0.00 H ATOM 705 HZ PHE A 46 33.286 2.268 2.997 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.444 3.457 4.130 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.498 2.203 4.984 1.00 0.00 H ATOM 708 H PHE A 46 30.336 -2.513 6.233 1.00 0.00 H ATOM 709 N VAL A 47 26.987 -0.465 7.496 1.00 7.53 N ATOM 710 CA VAL A 47 25.716 -0.888 8.095 1.00 7.77 C ATOM 711 C VAL A 47 24.571 -0.391 7.222 1.00 7.74 C ATOM 712 O VAL A 47 24.499 0.804 6.921 1.00 7.76 O ATOM 713 CB VAL A 47 25.560 -0.344 9.541 1.00 7.21 C ATOM 714 CG1 VAL A 47 24.238 -0.802 10.151 1.00 8.90 C ATOM 715 CG2 VAL A 47 26.756 -0.787 10.408 1.00 8.33 C ATOM 716 HA VAL A 47 25.700 -1.976 8.152 1.00 0.00 H ATOM 717 HB VAL A 47 25.549 0.745 9.505 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.412 -0.432 9.544 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.210 -1.891 10.179 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.151 -0.409 11.164 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.798 -1.876 10.438 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.679 -0.399 9.977 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.634 -0.399 11.419 1.00 0.00 H ATOM 724 H VAL A 47 27.246 0.541 7.537 1.00 0.00 H ATOM 725 N HIS A 48 23.699 -1.319 6.817 1.00 8.20 N ATOM 726 CA HIS A 48 22.566 -1.027 5.946 1.00 8.99 C ATOM 727 C HIS A 48 21.294 -1.049 6.778 1.00 9.62 C ATOM 728 O HIS A 48 20.405 -1.891 6.572 1.00 11.89 O ATOM 729 CB HIS A 48 22.424 -2.100 4.871 1.00 8.35 C ATOM 730 CG HIS A 48 23.698 -2.430 4.168 1.00 8.56 C ATOM 731 ND1 HIS A 48 24.374 -1.514 3.391 1.00 10.12 N ATOM 732 CD2 HIS A 48 24.422 -3.575 4.122 1.00 7.55 C ATOM 733 CE1 HIS A 48 25.459 -2.081 2.889 1.00 11.26 C ATOM 734 NE2 HIS A 48 25.509 -3.333 3.314 1.00 8.51 N ATOM 735 HA HIS A 48 22.728 -0.055 5.480 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.047 -3.008 5.341 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.705 -1.750 4.131 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.187 -4.511 4.629 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.187 -1.599 2.237 1.00 0.00 H ATOM 740 H HIS A 48 23.835 -2.299 7.139 1.00 0.00 H ATOM 741 N GLU A 49 21.248 -0.179 7.768 1.00 9.73 N ATOM 742 CA GLU A 49 20.032 0.103 8.512 1.00 8.79 C ATOM 743 C GLU A 49 19.938 1.607 8.513 1.00 9.17 C ATOM 744 O GLU A 49 20.882 2.287 8.101 1.00 9.52 O ATOM 745 CB GLU A 49 20.106 -0.441 9.946 1.00 9.39 C ATOM 746 CG GLU A 49 20.313 -1.960 10.042 1.00 9.46 C ATOM 747 CD GLU A 49 19.161 -2.802 9.517 1.00 9.87 C ATOM 748 OE1 GLU A 49 18.037 -2.277 9.323 1.00 10.95 O ATOM 749 OE2 GLU A 49 19.367 -4.024 9.297 1.00 9.68 O ATOM 750 HA GLU A 49 19.160 -0.374 8.064 1.00 0.00 H ATOM 751 HB2 GLU A 49 20.937 0.049 10.454 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.174 -0.192 10.453 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.206 -2.216 9.472 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.467 -2.215 11.091 1.00 0.00 H ATOM 755 H GLU A 49 22.119 0.327 8.027 1.00 0.00 H ATOM 756 N SER A 50 18.805 2.136 8.951 1.00 8.24 N ATOM 757 CA SER A 50 18.636 3.575 9.010 1.00 8.60 C ATOM 758 C SER A 50 19.596 4.197 10.013 1.00 8.79 C ATOM 759 O SER A 50 19.997 3.562 10.993 1.00 8.22 O ATOM 760 CB SER A 50 17.197 3.940 9.362 1.00 8.35 C ATOM 761 OG SER A 50 16.875 3.572 10.687 1.00 8.47 O ATOM 762 HA SER A 50 18.864 3.975 8.022 1.00 0.00 H ATOM 763 HB2 SER A 50 16.524 3.424 8.678 1.00 0.00 H ATOM 764 HB3 SER A 50 17.068 5.017 9.253 1.00 0.00 H ATOM 765 HG SER A 50 15.937 3.823 10.879 1.00 0.00 H ATOM 766 H SER A 50 18.030 1.513 9.255 1.00 0.00 H ATOM 767 N LEU A 51 19.956 5.455 9.776 1.00 9.16 N ATOM 768 CA LEU A 51 20.736 6.202 10.756 1.00 9.42 C ATOM 769 C LEU A 51 20.056 6.201 12.132 1.00 9.45 C ATOM 770 O LEU A 51 20.721 6.015 13.149 1.00 8.76 O ATOM 771 CB LEU A 51 21.014 7.642 10.282 1.00 10.03 C ATOM 772 CG LEU A 51 21.913 8.458 11.224 1.00 10.47 C ATOM 773 CD1 LEU A 51 23.303 7.839 11.386 1.00 10.52 C ATOM 774 CD2 LEU A 51 22.019 9.914 10.762 1.00 10.34 C ATOM 775 HA LEU A 51 21.696 5.695 10.856 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.498 7.593 9.306 1.00 0.00 H ATOM 777 HB3 LEU A 51 20.060 8.160 10.187 1.00 0.00 H ATOM 778 HG LEU A 51 21.437 8.439 12.204 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.445 9.946 9.759 1.00 0.00 H ATOM 780 HD22 LEU A 51 21.026 10.364 10.751 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.661 10.466 11.448 1.00 0.00 H ATOM 782 HD11 LEU A 51 23.206 6.835 11.798 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.792 7.788 10.413 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.897 8.455 12.061 1.00 0.00 H ATOM 785 H LEU A 51 19.679 5.911 8.883 1.00 0.00 H ATOM 786 N ALA A 52 18.741 6.397 12.170 1.00 9.50 N ATOM 787 CA ALA A 52 18.031 6.389 13.449 1.00 9.17 C ATOM 788 C ALA A 52 18.221 5.057 14.179 1.00 9.45 C ATOM 789 O ALA A 52 18.472 5.039 15.397 1.00 10.42 O ATOM 790 CB ALA A 52 16.557 6.703 13.252 1.00 9.99 C ATOM 791 HA ALA A 52 18.459 7.171 14.076 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.454 7.689 12.799 1.00 0.00 H ATOM 793 HB2 ALA A 52 16.111 5.953 12.598 1.00 0.00 H ATOM 794 HB3 ALA A 52 16.052 6.691 14.218 1.00 0.00 H ATOM 795 H ALA A 52 18.215 6.557 11.287 1.00 0.00 H ATOM 796 N ASP A 53 18.150 3.948 13.438 1.00 8.81 N ATOM 797 CA ASP A 53 18.284 2.624 14.057 1.00 8.63 C ATOM 798 C ASP A 53 19.685 2.392 14.618 1.00 8.62 C ATOM 799 O ASP A 53 19.830 1.790 15.691 1.00 8.30 O ATOM 800 CB ASP A 53 17.889 1.502 13.088 1.00 9.15 C ATOM 801 CG ASP A 53 16.376 1.318 12.981 1.00 10.47 C ATOM 802 OD1 ASP A 53 15.605 1.999 13.701 1.00 12.64 O ATOM 803 OD2 ASP A 53 15.954 0.480 12.161 1.00 12.11 O ATOM 804 HA ASP A 53 17.588 2.601 14.896 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.282 1.740 12.100 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.330 0.568 13.437 1.00 0.00 H ATOM 807 H ASP A 53 17.998 4.023 12.412 1.00 0.00 H ATOM 808 N VAL A 54 20.703 2.852 13.888 1.00 7.75 N ATOM 809 CA VAL A 54 22.085 2.697 14.339 1.00 7.52 C ATOM 810 C VAL A 54 22.354 3.633 15.526 1.00 7.70 C ATOM 811 O VAL A 54 22.979 3.239 16.525 1.00 7.62 O ATOM 812 CB VAL A 54 23.076 2.889 13.170 1.00 7.41 C ATOM 813 CG1 VAL A 54 24.528 2.828 13.650 1.00 9.03 C ATOM 814 CG2 VAL A 54 22.820 1.795 12.109 1.00 8.08 C ATOM 815 HA VAL A 54 22.241 1.678 14.694 1.00 0.00 H ATOM 816 HB VAL A 54 22.916 3.876 12.736 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.701 3.616 14.383 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.717 1.857 14.108 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.196 2.967 12.800 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.967 0.813 12.559 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.797 1.879 11.742 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.516 1.924 11.280 1.00 0.00 H ATOM 823 H VAL A 54 20.510 3.328 12.984 1.00 0.00 H ATOM 824 N GLN A 55 21.869 4.873 15.436 1.00 7.86 N ATOM 825 CA GLN A 55 22.002 5.802 16.565 1.00 7.88 C ATOM 826 C GLN A 55 21.351 5.242 17.839 1.00 7.89 C ATOM 827 O GLN A 55 21.851 5.457 18.956 1.00 8.95 O ATOM 828 CB GLN A 55 21.410 7.167 16.219 1.00 7.85 C ATOM 829 CG GLN A 55 22.287 7.962 15.241 1.00 7.52 C ATOM 830 CD GLN A 55 21.624 9.245 14.752 1.00 7.99 C ATOM 831 OE1 GLN A 55 22.315 10.195 14.350 1.00 10.63 O ATOM 832 NE2 GLN A 55 20.285 9.271 14.755 1.00 7.11 N ATOM 833 HA GLN A 55 23.067 5.924 16.761 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.430 7.018 15.767 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.301 7.743 17.138 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.219 8.222 15.743 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.504 7.332 14.378 1.00 0.00 H ATOM 838 HE22 GLN A 55 19.750 8.450 15.102 1.00 0.00 H ATOM 839 HE21 GLN A 55 19.780 10.113 14.410 1.00 0.00 H ATOM 840 H GLN A 55 21.395 5.182 14.563 1.00 0.00 H ATOM 841 N ALA A 56 20.234 4.539 17.661 1.00 7.43 N ATOM 842 CA ALA A 56 19.482 3.964 18.781 1.00 7.96 C ATOM 843 C ALA A 56 20.312 2.947 19.556 1.00 7.65 C ATOM 844 O ALA A 56 20.027 2.682 20.724 1.00 7.81 O ATOM 845 CB ALA A 56 18.200 3.325 18.282 1.00 8.70 C ATOM 846 HA ALA A 56 19.234 4.777 19.463 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.586 4.080 17.791 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.442 2.534 17.572 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.654 2.903 19.126 1.00 0.00 H ATOM 850 H ALA A 56 19.882 4.393 16.693 1.00 0.00 H ATOM 851 N VAL A 57 21.330 2.376 18.912 1.00 6.93 N ATOM 852 CA VAL A 57 22.163 1.375 19.573 1.00 6.69 C ATOM 853 C VAL A 57 22.859 1.948 20.829 1.00 6.48 C ATOM 854 O VAL A 57 23.122 1.201 21.783 1.00 6.75 O ATOM 855 CB VAL A 57 23.164 0.704 18.591 1.00 6.33 C ATOM 856 CG1 VAL A 57 24.030 -0.344 19.298 1.00 6.26 C ATOM 857 CG2 VAL A 57 22.411 0.039 17.457 1.00 6.97 C ATOM 858 HA VAL A 57 21.499 0.583 19.918 1.00 0.00 H ATOM 859 HB VAL A 57 23.816 1.486 18.201 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.598 0.134 20.096 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.389 -1.118 19.720 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.717 -0.791 18.579 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.742 -0.720 17.863 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.829 0.788 16.920 1.00 0.00 H ATOM 865 HG23 VAL A 57 23.122 -0.428 16.775 1.00 0.00 H ATOM 866 H VAL A 57 21.533 2.646 17.928 1.00 0.00 H ATOM 867 N CYS A 58 23.082 3.263 20.857 1.00 6.08 N ATOM 868 CA CYS A 58 23.754 3.899 22.006 1.00 6.53 C ATOM 869 C CYS A 58 22.921 3.845 23.286 1.00 6.20 C ATOM 870 O CYS A 58 23.435 4.163 24.360 1.00 6.18 O ATOM 871 CB CYS A 58 24.123 5.361 21.702 1.00 6.62 C ATOM 872 SG CYS A 58 25.289 5.558 20.358 1.00 8.02 S ATOM 873 HA CYS A 58 24.663 3.321 22.172 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.559 5.798 22.600 1.00 0.00 H ATOM 875 HB3 CYS A 58 23.210 5.898 21.445 1.00 0.00 H ATOM 876 H CYS A 58 22.777 3.850 20.055 1.00 0.00 H ATOM 877 N SER A 59 21.650 3.435 23.163 1.00 5.66 N ATOM 878 CA SER A 59 20.725 3.277 24.311 1.00 6.10 C ATOM 879 C SER A 59 20.447 1.790 24.599 1.00 5.59 C ATOM 880 O SER A 59 19.603 1.460 25.456 1.00 5.91 O ATOM 881 CB SER A 59 19.396 3.962 23.993 1.00 7.31 C ATOM 882 OG SER A 59 18.655 3.181 23.043 1.00 10.52 O ATOM 883 HA SER A 59 21.193 3.729 25.185 1.00 0.00 H ATOM 884 HB2 SER A 59 19.590 4.950 23.575 1.00 0.00 H ATOM 885 HB3 SER A 59 18.814 4.064 24.909 1.00 0.00 H ATOM 886 HG SER A 59 19.182 3.090 22.210 1.00 0.00 H ATOM 887 H SER A 59 21.294 3.216 22.211 1.00 0.00 H ATOM 888 N GLN A 60 21.143 0.908 23.879 1.00 4.89 N ATOM 889 CA GLN A 60 20.889 -0.531 23.957 1.00 5.34 C ATOM 890 C GLN A 60 21.847 -1.259 24.926 1.00 5.16 C ATOM 891 O GLN A 60 22.072 -0.743 26.017 1.00 6.00 O ATOM 892 CB GLN A 60 20.787 -1.120 22.548 1.00 5.06 C ATOM 893 CG GLN A 60 19.572 -0.510 21.819 1.00 5.55 C ATOM 894 CD GLN A 60 19.340 -0.988 20.396 1.00 5.98 C ATOM 895 OE1 GLN A 60 19.860 -2.018 19.952 1.00 6.37 O ATOM 896 NE2 GLN A 60 18.533 -0.223 19.663 1.00 7.86 N ATOM 897 HA GLN A 60 19.917 -0.701 24.420 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.696 -0.891 21.992 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.665 -2.201 22.614 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.681 -0.747 22.400 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.709 0.571 21.790 1.00 0.00 H ATOM 902 HE22 GLN A 60 18.116 0.636 20.074 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.320 -0.485 18.679 1.00 0.00 H ATOM 904 H GLN A 60 21.889 1.254 23.243 1.00 0.00 H ATOM 905 N LYS A 61 22.380 -2.430 24.558 1.00 5.22 N ATOM 906 CA LYS A 61 23.098 -3.254 25.558 1.00 5.49 C ATOM 907 C LYS A 61 24.532 -2.758 25.774 1.00 5.27 C ATOM 908 O LYS A 61 25.332 -2.843 24.864 1.00 5.93 O ATOM 909 CB LYS A 61 23.112 -4.734 25.175 1.00 5.20 C ATOM 910 CG LYS A 61 23.759 -5.570 26.240 1.00 6.82 C ATOM 911 CD LYS A 61 23.895 -7.007 25.819 1.00 10.33 C ATOM 912 CE LYS A 61 24.560 -7.813 26.927 1.00 12.95 C ATOM 913 NZ LYS A 61 24.671 -9.250 26.560 1.00 15.10 N ATOM 914 HA LYS A 61 22.549 -3.149 26.494 1.00 0.00 H ATOM 915 HB2 LYS A 61 22.086 -5.073 25.032 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.666 -4.854 24.244 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.750 -5.169 26.450 1.00 0.00 H ATOM 918 HG3 LYS A 61 23.151 -5.523 27.143 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.907 -7.419 25.616 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.503 -7.063 24.916 1.00 0.00 H ATOM 921 HE2 LYS A 61 23.966 -7.724 27.837 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.558 -7.414 27.106 1.00 0.00 H ATOM 923 HZ1 LYS A 61 23.721 -9.638 26.393 1.00 0.00 H ATOM 924 HZ2 LYS A 61 25.242 -9.343 25.695 1.00 0.00 H ATOM 925 HZ3 LYS A 61 25.128 -9.770 27.336 1.00 0.00 H ATOM 926 H LYS A 61 22.291 -2.760 23.576 1.00 0.00 H ATOM 927 N ASN A 62 24.841 -2.238 26.962 1.00 5.49 N ATOM 928 CA ASN A 62 26.197 -1.757 27.266 1.00 5.30 C ATOM 929 C ASN A 62 27.122 -2.971 27.398 1.00 5.45 C ATOM 930 O ASN A 62 26.844 -3.890 28.191 1.00 6.69 O ATOM 931 CB ASN A 62 26.149 -0.944 28.577 1.00 5.88 C ATOM 932 CG ASN A 62 27.461 -0.206 28.920 1.00 6.30 C ATOM 933 OD1 ASN A 62 27.679 0.092 30.093 1.00 7.54 O ATOM 934 ND2 ASN A 62 28.283 0.150 27.922 1.00 5.67 N ATOM 935 HA ASN A 62 26.577 -1.112 26.473 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.354 -0.203 28.490 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.919 -1.628 29.394 1.00 0.00 H ATOM 938 HD22 ASN A 62 28.061 -0.123 26.943 1.00 0.00 H ATOM 939 HD21 ASN A 62 29.142 0.699 28.127 1.00 0.00 H ATOM 940 H ASN A 62 24.104 -2.171 27.693 1.00 0.00 H ATOM 941 N VAL A 63 28.198 -2.965 26.610 1.00 4.60 N ATOM 942 CA VAL A 63 29.217 -4.018 26.652 1.00 5.15 C ATOM 943 C VAL A 63 30.617 -3.385 26.658 1.00 4.82 C ATOM 944 O VAL A 63 30.797 -2.242 26.237 1.00 6.10 O ATOM 945 CB VAL A 63 29.101 -5.009 25.452 1.00 5.77 C ATOM 946 CG1 VAL A 63 27.739 -5.730 25.466 1.00 6.24 C ATOM 947 CG2 VAL A 63 29.317 -4.283 24.120 1.00 6.31 C ATOM 948 HA VAL A 63 29.054 -4.589 27.566 1.00 0.00 H ATOM 949 HB VAL A 63 29.884 -5.760 25.559 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.635 -6.290 26.396 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.939 -4.994 25.392 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.683 -6.415 24.620 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.563 -3.504 24.006 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.310 -3.834 24.109 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.231 -4.997 23.301 1.00 0.00 H ATOM 956 H VAL A 63 28.319 -2.181 25.938 1.00 0.00 H ATOM 957 N ALA A 64 31.610 -4.145 27.109 1.00 4.99 N ATOM 958 CA ALA A 64 32.977 -3.647 27.066 1.00 4.38 C ATOM 959 C ALA A 64 33.481 -3.510 25.631 1.00 4.85 C ATOM 960 O ALA A 64 33.247 -4.381 24.779 1.00 4.83 O ATOM 961 CB ALA A 64 33.896 -4.528 27.876 1.00 4.63 C ATOM 962 HA ALA A 64 32.977 -2.652 27.510 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.561 -4.545 28.913 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.878 -5.540 27.471 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.911 -4.134 27.827 1.00 0.00 H ATOM 966 H ALA A 64 31.411 -5.092 27.491 1.00 0.00 H ATOM 967 N CYS A 65 34.161 -2.399 25.366 1.00 4.73 N ATOM 968 CA CYS A 65 34.832 -2.216 24.081 1.00 4.58 C ATOM 969 C CYS A 65 36.077 -3.081 24.028 1.00 4.41 C ATOM 970 O CYS A 65 36.667 -3.384 25.048 1.00 4.46 O ATOM 971 CB CYS A 65 35.286 -0.764 23.898 1.00 4.77 C ATOM 972 SG CYS A 65 34.001 0.471 24.037 1.00 6.23 S ATOM 973 HA CYS A 65 34.123 -2.488 23.299 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.732 -0.674 22.907 1.00 0.00 H ATOM 975 HB3 CYS A 65 36.040 -0.550 24.655 1.00 0.00 H ATOM 976 H CYS A 65 34.216 -1.649 26.084 1.00 0.00 H ATOM 977 N LYS A 66 36.507 -3.420 22.821 1.00 4.38 N ATOM 978 CA LYS A 66 37.731 -4.197 22.644 1.00 4.26 C ATOM 979 C LYS A 66 38.952 -3.562 23.323 1.00 4.38 C ATOM 980 O LYS A 66 39.836 -4.271 23.812 1.00 5.55 O ATOM 981 CB LYS A 66 38.007 -4.427 21.146 1.00 4.75 C ATOM 982 CG LYS A 66 37.115 -5.485 20.515 1.00 5.98 C ATOM 983 CD LYS A 66 37.428 -5.638 19.032 1.00 11.76 C ATOM 984 CE LYS A 66 36.443 -6.601 18.373 1.00 14.49 C ATOM 985 NZ LYS A 66 36.538 -6.646 16.866 1.00 18.45 N ATOM 986 HA LYS A 66 37.566 -5.156 23.136 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.851 -3.486 20.619 1.00 0.00 H ATOM 988 HB3 LYS A 66 39.045 -4.739 21.031 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.281 -6.439 21.016 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.072 -5.191 20.632 1.00 0.00 H ATOM 991 HD2 LYS A 66 37.356 -4.664 18.548 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.440 -6.026 18.917 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.432 -6.295 18.643 1.00 0.00 H ATOM 994 HE3 LYS A 66 36.634 -7.603 18.758 1.00 0.00 H ATOM 995 HZ1 LYS A 66 36.347 -5.700 16.479 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.494 -6.948 16.589 1.00 0.00 H ATOM 997 HZ3 LYS A 66 35.839 -7.321 16.496 1.00 0.00 H ATOM 998 H LYS A 66 35.963 -3.127 21.984 1.00 0.00 H ATOM 999 N ASN A 67 38.979 -2.235 23.370 1.00 5.34 N ATOM 1000 CA ASN A 67 40.094 -1.524 23.985 1.00 6.43 C ATOM 1001 C ASN A 67 39.971 -1.375 25.508 1.00 6.46 C ATOM 1002 O ASN A 67 40.844 -0.765 26.148 1.00 7.43 O ATOM 1003 CB ASN A 67 40.293 -0.160 23.311 1.00 7.07 C ATOM 1004 CG ASN A 67 39.191 0.836 23.647 1.00 7.37 C ATOM 1005 OD1 ASN A 67 38.308 0.566 24.454 1.00 6.55 O ATOM 1006 ND2 ASN A 67 39.251 2.014 23.022 1.00 11.07 N ATOM 1007 HA ASN A 67 40.978 -2.140 23.823 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.247 0.254 23.638 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.313 -0.305 22.231 1.00 0.00 H ATOM 1010 HD22 ASN A 67 40.016 2.205 22.344 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.533 2.741 23.213 1.00 0.00 H ATOM 1012 H ASN A 67 38.191 -1.693 22.961 1.00 0.00 H ATOM 1013 N GLY A 68 38.901 -1.924 26.081 1.00 6.63 N ATOM 1014 CA GLY A 68 38.714 -1.907 27.522 1.00 6.40 C ATOM 1015 C GLY A 68 37.919 -0.722 28.043 1.00 6.18 C ATOM 1016 O GLY A 68 37.585 -0.663 29.230 1.00 6.30 O ATOM 1017 HA3 GLY A 68 39.697 -1.890 27.992 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.191 -2.820 27.808 1.00 0.00 H ATOM 1019 H GLY A 68 38.181 -2.376 25.482 1.00 0.00 H ATOM 1020 N GLN A 69 37.613 0.234 27.172 1.00 6.41 N ATOM 1021 CA GLN A 69 36.702 1.299 27.563 1.00 6.97 C ATOM 1022 C GLN A 69 35.283 0.738 27.715 1.00 6.77 C ATOM 1023 O GLN A 69 34.972 -0.347 27.209 1.00 7.16 O ATOM 1024 CB GLN A 69 36.735 2.451 26.559 1.00 6.54 C ATOM 1025 CG GLN A 69 38.116 3.117 26.426 1.00 7.98 C ATOM 1026 CD GLN A 69 38.105 4.290 25.442 1.00 10.00 C ATOM 1027 OE1 GLN A 69 38.386 4.120 24.254 1.00 16.76 O ATOM 1028 NE2 GLN A 69 37.765 5.475 25.930 1.00 16.51 N ATOM 1029 HA GLN A 69 37.025 1.699 28.524 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.443 2.065 25.582 1.00 0.00 H ATOM 1031 HB3 GLN A 69 36.018 3.207 26.878 1.00 0.00 H ATOM 1032 HG2 GLN A 69 38.424 3.484 27.405 1.00 0.00 H ATOM 1033 HG3 GLN A 69 38.832 2.373 26.076 1.00 0.00 H ATOM 1034 HE22 GLN A 69 37.535 5.575 26.939 1.00 0.00 H ATOM 1035 HE21 GLN A 69 37.728 6.304 25.303 1.00 0.00 H ATOM 1036 H GLN A 69 38.022 0.221 26.216 1.00 0.00 H ATOM 1037 N THR A 70 34.436 1.476 28.428 1.00 6.47 N ATOM 1038 CA THR A 70 33.124 0.952 28.813 1.00 7.13 C ATOM 1039 C THR A 70 31.954 1.574 28.054 1.00 6.38 C ATOM 1040 O THR A 70 30.804 1.352 28.417 1.00 7.86 O ATOM 1041 CB THR A 70 32.880 1.142 30.322 1.00 7.95 C ATOM 1042 OG1 THR A 70 33.016 2.530 30.634 1.00 11.27 O ATOM 1043 CG2 THR A 70 33.902 0.351 31.120 1.00 10.48 C ATOM 1044 HA THR A 70 33.158 -0.106 28.552 1.00 0.00 H ATOM 1045 HB THR A 70 31.881 0.789 30.577 1.00 0.00 H ATOM 1046 HG1 THR A 70 32.352 3.050 30.116 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.803 -0.709 30.886 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.905 0.689 30.860 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.729 0.507 32.185 1.00 0.00 H ATOM 1050 H THR A 70 34.709 2.437 28.716 1.00 0.00 H ATOM 1051 N ASN A 71 32.243 2.342 27.010 1.00 4.81 N ATOM 1052 CA ASN A 71 31.195 3.052 26.266 1.00 3.82 C ATOM 1053 C ASN A 71 30.768 2.368 24.968 1.00 4.03 C ATOM 1054 O ASN A 71 30.431 3.042 23.996 1.00 4.26 O ATOM 1055 CB ASN A 71 31.615 4.503 25.982 1.00 4.12 C ATOM 1056 CG ASN A 71 32.852 4.593 25.100 1.00 4.23 C ATOM 1057 OD1 ASN A 71 33.865 3.921 25.345 1.00 6.38 O ATOM 1058 ND2 ASN A 71 32.787 5.446 24.081 1.00 5.05 N ATOM 1059 HA ASN A 71 30.321 3.036 26.917 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.792 5.013 25.482 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.825 4.998 26.930 1.00 0.00 H ATOM 1062 HD22 ASN A 71 31.916 5.990 23.913 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.607 5.569 23.453 1.00 0.00 H ATOM 1064 H ASN A 71 33.234 2.443 26.712 1.00 0.00 H ATOM 1065 N CYS A 72 30.760 1.046 24.960 1.00 4.43 N ATOM 1066 CA CYS A 72 30.301 0.315 23.778 1.00 4.33 C ATOM 1067 C CYS A 72 28.924 -0.253 23.987 1.00 4.55 C ATOM 1068 O CYS A 72 28.517 -0.529 25.120 1.00 4.60 O ATOM 1069 CB CYS A 72 31.300 -0.759 23.359 1.00 4.85 C ATOM 1070 SG CYS A 72 32.729 -0.015 22.513 1.00 5.34 S ATOM 1071 HA CYS A 72 30.236 1.028 22.956 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.810 -1.460 22.684 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.646 -1.291 24.245 1.00 0.00 H ATOM 1074 H CYS A 72 31.082 0.522 25.799 1.00 0.00 H ATOM 1075 N TYR A 73 28.201 -0.436 22.888 1.00 4.33 N ATOM 1076 CA TYR A 73 26.792 -0.857 22.950 1.00 5.11 C ATOM 1077 C TYR A 73 26.528 -1.842 21.833 1.00 4.63 C ATOM 1078 O TYR A 73 26.959 -1.623 20.702 1.00 5.00 O ATOM 1079 CB TYR A 73 25.848 0.347 22.842 1.00 5.44 C ATOM 1080 CG TYR A 73 26.073 1.314 23.979 1.00 4.91 C ATOM 1081 CD1 TYR A 73 27.080 2.276 23.881 1.00 7.24 C ATOM 1082 CD2 TYR A 73 25.346 1.229 25.165 1.00 9.26 C ATOM 1083 CE1 TYR A 73 27.369 3.138 24.917 1.00 8.96 C ATOM 1084 CE2 TYR A 73 25.638 2.102 26.220 1.00 7.95 C ATOM 1085 CZ TYR A 73 26.652 3.048 26.071 1.00 6.39 C ATOM 1086 OH TYR A 73 26.964 3.943 27.094 1.00 9.50 O ATOM 1087 HA TYR A 73 26.603 -1.332 23.913 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.817 -0.004 22.871 1.00 0.00 H ATOM 1089 HB2 TYR A 73 26.029 0.859 21.897 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.555 0.487 25.271 1.00 0.00 H ATOM 1091 HE2 TYR A 73 25.076 2.043 27.152 1.00 0.00 H ATOM 1092 HE1 TYR A 73 28.160 3.881 24.814 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.655 2.348 22.958 1.00 0.00 H ATOM 1094 HH TYR A 73 27.705 4.531 26.802 1.00 0.00 H ATOM 1095 H TYR A 73 28.642 -0.278 21.959 1.00 0.00 H ATOM 1096 N GLN A 74 25.831 -2.922 22.181 1.00 4.88 N ATOM 1097 CA GLN A 74 25.500 -3.987 21.234 1.00 4.90 C ATOM 1098 C GLN A 74 24.018 -3.904 20.868 1.00 5.16 C ATOM 1099 O GLN A 74 23.164 -3.727 21.755 1.00 5.83 O ATOM 1100 CB GLN A 74 25.819 -5.352 21.855 1.00 4.70 C ATOM 1101 CG GLN A 74 25.577 -6.532 20.915 1.00 5.45 C ATOM 1102 CD GLN A 74 26.067 -7.826 21.522 1.00 7.38 C ATOM 1103 OE1 GLN A 74 27.168 -7.874 22.070 1.00 9.79 O ATOM 1104 NE2 GLN A 74 25.266 -8.881 21.422 1.00 9.37 N ATOM 1105 HA GLN A 74 26.096 -3.867 20.329 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.868 -5.358 22.151 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.193 -5.482 22.738 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.508 -6.615 20.716 1.00 0.00 H ATOM 1109 HG3 GLN A 74 26.107 -6.355 19.979 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.344 -8.791 20.949 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.561 -9.797 21.816 1.00 0.00 H ATOM 1112 H GLN A 74 25.509 -3.012 23.166 1.00 0.00 H ATOM 1113 N SER A 75 23.720 -3.999 19.572 1.00 4.97 N ATOM 1114 CA SER A 75 22.336 -3.914 19.105 1.00 5.34 C ATOM 1115 C SER A 75 21.552 -5.123 19.593 1.00 5.73 C ATOM 1116 O SER A 75 22.059 -6.242 19.574 1.00 6.11 O ATOM 1117 CB SER A 75 22.298 -3.790 17.568 1.00 4.68 C ATOM 1118 OG SER A 75 22.790 -4.941 16.893 1.00 5.03 O ATOM 1119 HA SER A 75 21.867 -3.021 19.517 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.905 -2.933 17.276 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.265 -3.625 17.260 1.00 0.00 H ATOM 1122 HG SER A 75 22.242 -5.727 17.141 1.00 0.00 H ATOM 1123 H SER A 75 24.485 -4.136 18.881 1.00 0.00 H ATOM 1124 N TYR A 76 20.311 -4.912 20.037 1.00 5.84 N ATOM 1125 CA TYR A 76 19.495 -6.043 20.487 1.00 6.51 C ATOM 1126 C TYR A 76 19.066 -6.894 19.300 1.00 6.86 C ATOM 1127 O TYR A 76 18.932 -8.109 19.408 1.00 6.76 O ATOM 1128 CB TYR A 76 18.256 -5.557 21.238 1.00 5.98 C ATOM 1129 CG TYR A 76 18.568 -4.967 22.592 1.00 6.45 C ATOM 1130 CD1 TYR A 76 19.221 -5.722 23.564 1.00 6.46 C ATOM 1131 CD2 TYR A 76 18.187 -3.666 22.913 1.00 6.08 C ATOM 1132 CE1 TYR A 76 19.504 -5.192 24.813 1.00 5.48 C ATOM 1133 CE2 TYR A 76 18.476 -3.123 24.163 1.00 6.23 C ATOM 1134 CZ TYR A 76 19.133 -3.891 25.101 1.00 6.34 C ATOM 1135 OH TYR A 76 19.431 -3.381 26.341 1.00 6.88 O ATOM 1136 HA TYR A 76 20.103 -6.645 21.162 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.582 -6.402 21.376 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.763 -4.795 20.634 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.655 -3.064 22.176 1.00 0.00 H ATOM 1140 HE2 TYR A 76 18.185 -2.099 24.398 1.00 0.00 H ATOM 1141 HE1 TYR A 76 20.015 -5.796 25.563 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.514 -6.747 23.338 1.00 0.00 H ATOM 1143 HH TYR A 76 20.014 -2.588 26.239 1.00 0.00 H ATOM 1144 H TYR A 76 19.924 -3.947 20.064 1.00 0.00 H ATOM 1145 N SER A 77 18.856 -6.245 18.160 1.00 8.47 N ATOM 1146 CA SER A 77 18.472 -6.947 16.938 1.00 9.83 C ATOM 1147 C SER A 77 19.668 -7.109 16.014 1.00 10.81 C ATOM 1148 O SER A 77 20.642 -6.355 16.099 1.00 9.57 O ATOM 1149 CB SER A 77 17.366 -6.176 16.218 1.00 10.12 C ATOM 1150 OG SER A 77 16.176 -6.155 16.990 1.00 12.37 O ATOM 1151 HA SER A 77 18.105 -7.936 17.211 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.162 -6.655 15.261 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.698 -5.152 16.047 1.00 0.00 H ATOM 1154 HG SER A 77 15.477 -5.651 16.503 1.00 0.00 H ATOM 1155 H SER A 77 18.968 -5.211 18.137 1.00 0.00 H ATOM 1156 N THR A 78 19.607 -8.096 15.131 1.00 13.02 N ATOM 1157 CA THR A 78 20.648 -8.202 14.122 1.00 13.68 C ATOM 1158 C THR A 78 20.414 -7.092 13.106 1.00 14.53 C ATOM 1159 O THR A 78 19.280 -6.606 12.931 1.00 16.20 O ATOM 1160 CB THR A 78 20.686 -9.572 13.414 1.00 14.28 C ATOM 1161 OG1 THR A 78 19.468 -9.771 12.685 1.00 15.89 O ATOM 1162 CG2 THR A 78 20.879 -10.699 14.416 1.00 14.07 C ATOM 1163 HA THR A 78 21.615 -8.103 14.616 1.00 0.00 H ATOM 1164 HB THR A 78 21.531 -9.581 12.725 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.368 -9.054 12.010 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.807 -10.540 14.966 1.00 0.00 H ATOM 1167 HG21 THR A 78 20.040 -10.712 15.112 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.928 -11.650 13.886 1.00 0.00 H ATOM 1169 H THR A 78 18.827 -8.783 15.160 1.00 0.00 H ATOM 1170 N MET A 79 21.501 -6.682 12.467 1.00 13.99 N ATOM 1171 CA MET A 79 21.449 -5.660 11.432 1.00 13.87 C ATOM 1172 C MET A 79 22.124 -6.154 10.172 1.00 13.78 C ATOM 1173 O MET A 79 23.055 -6.971 10.232 1.00 13.68 O ATOM 1174 CB MET A 79 22.113 -4.371 11.930 1.00 14.17 C ATOM 1175 CG MET A 79 21.368 -3.725 13.092 1.00 14.35 C ATOM 1176 SD MET A 79 22.070 -2.120 13.430 1.00 14.91 S ATOM 1177 CE MET A 79 20.830 -1.461 14.527 1.00 14.89 C ATOM 1178 HA MET A 79 20.406 -5.446 11.201 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.127 -4.606 12.255 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.153 -3.660 11.105 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.458 -4.355 13.977 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.315 -3.614 12.832 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.871 -1.425 14.010 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.746 -2.101 15.405 1.00 0.00 H ATOM 1185 HE3 MET A 79 21.117 -0.455 14.835 1.00 0.00 H ATOM 1186 H MET A 79 22.419 -7.104 12.713 1.00 0.00 H ATOM 1187 N SER A 80 21.645 -5.668 9.028 1.00 13.19 N ATOM 1188 CA SER A 80 22.259 -5.978 7.736 1.00 12.87 C ATOM 1189 C SER A 80 23.570 -5.181 7.616 1.00 13.38 C ATOM 1190 O SER A 80 23.570 -3.958 7.755 1.00 13.70 O ATOM 1191 CB SER A 80 21.305 -5.593 6.604 1.00 13.26 C ATOM 1192 OG SER A 80 21.921 -5.758 5.336 1.00 13.36 O ATOM 1193 HA SER A 80 22.467 -7.046 7.666 1.00 0.00 H ATOM 1194 HB2 SER A 80 21.012 -4.550 6.724 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.419 -6.226 6.654 1.00 0.00 H ATOM 1196 HG SER A 80 21.282 -5.502 4.624 1.00 0.00 H ATOM 1197 H SER A 80 20.809 -5.049 9.054 1.00 0.00 H ATOM 1198 N ILE A 81 24.678 -5.888 7.390 1.00 12.87 N ATOM 1199 CA ILE A 81 26.000 -5.254 7.284 1.00 13.50 C ATOM 1200 C ILE A 81 26.780 -5.825 6.110 1.00 13.27 C ATOM 1201 O ILE A 81 26.485 -6.926 5.635 1.00 13.04 O ATOM 1202 CB ILE A 81 26.843 -5.424 8.582 1.00 12.60 C ATOM 1203 CG1 ILE A 81 27.190 -6.897 8.855 1.00 14.29 C ATOM 1204 CG2 ILE A 81 26.105 -4.780 9.775 1.00 13.21 C ATOM 1205 CD1 ILE A 81 28.198 -7.112 9.982 1.00 14.88 C ATOM 1206 HA ILE A 81 25.820 -4.190 7.129 1.00 0.00 H ATOM 1207 HB ILE A 81 27.793 -4.908 8.442 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.270 -7.421 9.116 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.604 -7.324 7.942 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.131 -6.607 9.734 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.797 -6.703 10.909 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.383 -8.179 10.104 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.956 -3.718 9.578 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.138 -5.265 9.907 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.701 -4.903 10.679 1.00 0.00 H ATOM 1216 H ILE A 81 24.604 -6.920 7.285 1.00 0.00 H ATOM 1217 N THR A 82 27.781 -5.072 5.659 1.00 13.57 N ATOM 1218 CA THR A 82 28.762 -5.583 4.703 1.00 13.15 C ATOM 1219 C THR A 82 30.140 -5.380 5.296 1.00 13.37 C ATOM 1220 O THR A 82 30.489 -4.258 5.699 1.00 13.09 O ATOM 1221 CB THR A 82 28.673 -4.866 3.340 1.00 13.54 C ATOM 1222 OG1 THR A 82 27.378 -5.088 2.784 1.00 13.29 O ATOM 1223 CG2 THR A 82 29.736 -5.415 2.378 1.00 14.60 C ATOM 1224 HA THR A 82 28.560 -6.639 4.523 1.00 0.00 H ATOM 1225 HB THR A 82 28.845 -3.799 3.485 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.690 -4.727 3.398 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.727 -5.247 2.800 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.577 -6.484 2.234 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.656 -4.903 1.419 1.00 0.00 H ATOM 1230 H THR A 82 27.868 -4.092 5.996 1.00 0.00 H ATOM 1231 N ASP A 83 30.914 -6.460 5.389 1.00 12.73 N ATOM 1232 CA ASP A 83 32.301 -6.361 5.826 1.00 13.11 C ATOM 1233 C ASP A 83 33.205 -6.274 4.614 1.00 12.73 C ATOM 1234 O ASP A 83 33.030 -7.023 3.638 1.00 12.14 O ATOM 1235 CB ASP A 83 32.705 -7.565 6.666 1.00 13.64 C ATOM 1236 CG ASP A 83 32.057 -7.563 8.035 1.00 15.40 C ATOM 1237 OD1 ASP A 83 32.030 -6.502 8.685 1.00 16.13 O ATOM 1238 OD2 ASP A 83 31.574 -8.636 8.472 1.00 17.49 O ATOM 1239 HA ASP A 83 32.401 -5.465 6.439 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.409 -8.473 6.141 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.788 -7.556 6.792 1.00 0.00 H ATOM 1242 H ASP A 83 30.521 -7.392 5.145 1.00 0.00 H ATOM 1243 N CYS A 84 34.164 -5.351 4.692 1.00 12.65 N ATOM 1244 CA CYS A 84 35.189 -5.188 3.670 1.00 13.11 C ATOM 1245 C CYS A 84 36.537 -5.548 4.257 1.00 13.60 C ATOM 1246 O CYS A 84 36.955 -4.973 5.251 1.00 13.56 O ATOM 1247 CB CYS A 84 35.213 -3.751 3.152 1.00 13.14 C ATOM 1248 SG CYS A 84 33.639 -3.208 2.451 1.00 13.16 S ATOM 1249 HA CYS A 84 34.963 -5.848 2.832 1.00 0.00 H ATOM 1250 HB2 CYS A 84 35.979 -3.676 2.380 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.468 -3.090 3.980 1.00 0.00 H ATOM 1252 H CYS A 84 34.181 -4.720 5.519 1.00 0.00 H ATOM 1253 N ARG A 85 37.212 -6.506 3.624 1.00 14.04 N ATOM 1254 CA ARG A 85 38.478 -7.022 4.128 1.00 15.23 C ATOM 1255 C ARG A 85 39.488 -6.983 2.997 1.00 15.38 C ATOM 1256 O ARG A 85 39.246 -7.572 1.938 1.00 15.35 O ATOM 1257 CB ARG A 85 38.280 -8.461 4.619 1.00 15.93 C ATOM 1258 CG ARG A 85 39.514 -9.132 5.213 1.00 18.56 C ATOM 1259 CD ARG A 85 39.264 -10.624 5.401 1.00 22.67 C ATOM 1260 NE ARG A 85 40.393 -11.327 6.011 1.00 25.47 N ATOM 1261 CZ ARG A 85 40.297 -12.489 6.659 1.00 26.97 C ATOM 1262 NH1 ARG A 85 39.119 -13.089 6.805 1.00 27.60 N ATOM 1263 NH2 ARG A 85 41.383 -13.050 7.177 1.00 26.98 N ATOM 1264 HA ARG A 85 38.837 -6.418 4.962 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.503 -8.451 5.384 1.00 0.00 H ATOM 1266 HB3 ARG A 85 37.947 -9.061 3.772 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.360 -8.990 4.540 1.00 0.00 H ATOM 1268 HG3 ARG A 85 39.740 -8.680 6.179 1.00 0.00 H ATOM 1269 HD2 ARG A 85 39.066 -11.068 4.425 1.00 0.00 H ATOM 1270 HD3 ARG A 85 38.390 -10.751 6.040 1.00 0.00 H ATOM 1271 HE ARG A 85 41.334 -10.891 5.934 1.00 0.00 H ATOM 1272 HH12 ARG A 85 39.056 -13.995 7.312 1.00 0.00 H ATOM 1273 HH11 ARG A 85 38.261 -12.652 6.412 1.00 0.00 H ATOM 1274 HH22 ARG A 85 41.310 -13.956 7.682 1.00 0.00 H ATOM 1275 HH21 ARG A 85 42.307 -12.584 7.077 1.00 0.00 H ATOM 1276 H ARG A 85 36.823 -6.898 2.743 1.00 0.00 H ATOM 1277 N GLU A 86 40.602 -6.284 3.216 1.00 15.35 N ATOM 1278 CA GLU A 86 41.643 -6.142 2.196 1.00 15.82 C ATOM 1279 C GLU A 86 42.180 -7.514 1.788 1.00 15.86 C ATOM 1280 O GLU A 86 42.490 -8.343 2.649 1.00 16.01 O ATOM 1281 CB GLU A 86 42.790 -5.248 2.692 1.00 15.89 C ATOM 1282 CG GLU A 86 43.840 -4.981 1.617 1.00 16.12 C ATOM 1283 CD GLU A 86 44.974 -4.082 2.061 1.00 15.49 C ATOM 1284 OE1 GLU A 86 45.618 -3.492 1.175 1.00 15.07 O ATOM 1285 OE2 GLU A 86 45.227 -3.964 3.279 1.00 17.46 O ATOM 1286 HA GLU A 86 41.195 -5.664 1.325 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.373 -4.295 3.016 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.273 -5.738 3.537 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.263 -5.937 1.308 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.346 -4.512 0.766 1.00 0.00 H ATOM 1291 H GLU A 86 40.736 -5.825 4.140 1.00 0.00 H ATOM 1292 N THR A 87 42.266 -7.746 0.475 1.00 16.14 N ATOM 1293 CA THR A 87 42.806 -8.992 -0.078 1.00 16.52 C ATOM 1294 C THR A 87 44.321 -9.089 0.138 1.00 16.99 C ATOM 1295 O THR A 87 45.000 -8.079 0.363 1.00 17.28 O ATOM 1296 CB THR A 87 42.524 -9.124 -1.597 1.00 16.44 C ATOM 1297 OG1 THR A 87 43.243 -8.109 -2.311 1.00 16.14 O ATOM 1298 CG2 THR A 87 41.031 -9.012 -1.901 1.00 16.62 C ATOM 1299 HA THR A 87 42.302 -9.799 0.453 1.00 0.00 H ATOM 1300 HB THR A 87 42.859 -10.110 -1.919 1.00 0.00 H ATOM 1301 HG1 THR A 87 42.950 -7.217 -1.998 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.491 -9.786 -1.355 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.671 -8.030 -1.593 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.869 -9.140 -2.971 1.00 0.00 H ATOM 1305 H THR A 87 41.936 -7.011 -0.183 1.00 0.00 H ATOM 1306 N GLY A 88 44.840 -10.309 0.069 1.00 17.30 N ATOM 1307 CA GLY A 88 46.268 -10.551 0.241 1.00 17.80 C ATOM 1308 C GLY A 88 47.140 -9.908 -0.825 1.00 17.93 C ATOM 1309 O GLY A 88 48.292 -9.561 -0.561 1.00 18.19 O ATOM 1310 HA3 GLY A 88 46.438 -11.627 0.219 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.568 -10.157 1.212 1.00 0.00 H ATOM 1312 H GLY A 88 44.210 -11.116 -0.113 1.00 0.00 H ATOM 1313 N SER A 89 46.588 -9.742 -2.027 1.00 18.03 N ATOM 1314 CA SER A 89 47.345 -9.225 -3.165 1.00 18.03 C ATOM 1315 C SER A 89 47.067 -7.747 -3.444 1.00 17.74 C ATOM 1316 O SER A 89 47.625 -7.174 -4.386 1.00 17.68 O ATOM 1317 CB SER A 89 47.071 -10.063 -4.417 1.00 18.23 C ATOM 1318 OG SER A 89 45.721 -9.933 -4.825 1.00 19.62 O ATOM 1319 HA SER A 89 48.399 -9.303 -2.900 1.00 0.00 H ATOM 1320 HB2 SER A 89 47.279 -11.110 -4.199 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.722 -9.725 -5.223 1.00 0.00 H ATOM 1322 HG SER A 89 45.568 -10.482 -5.634 1.00 0.00 H ATOM 1323 H SER A 89 45.586 -9.988 -2.159 1.00 0.00 H ATOM 1324 N SER A 90 46.211 -7.142 -2.620 1.00 17.38 N ATOM 1325 CA SER A 90 45.920 -5.710 -2.684 1.00 17.16 C ATOM 1326 C SER A 90 47.175 -4.881 -2.435 1.00 17.18 C ATOM 1327 O SER A 90 47.876 -5.080 -1.439 1.00 17.59 O ATOM 1328 CB SER A 90 44.846 -5.335 -1.659 1.00 17.07 C ATOM 1329 OG SER A 90 44.751 -3.927 -1.494 1.00 17.17 O ATOM 1330 HA SER A 90 45.553 -5.492 -3.687 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.098 -5.788 -0.700 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.883 -5.718 -1.998 1.00 0.00 H ATOM 1333 HG SER A 90 45.621 -3.573 -1.180 1.00 0.00 H ATOM 1334 H SER A 90 45.728 -7.715 -1.899 1.00 0.00 H ATOM 1335 N LYS A 91 47.457 -3.957 -3.347 1.00 17.00 N ATOM 1336 CA LYS A 91 48.604 -3.075 -3.200 1.00 16.86 C ATOM 1337 C LYS A 91 48.201 -1.630 -3.449 1.00 16.50 C ATOM 1338 O LYS A 91 47.790 -1.275 -4.554 1.00 16.46 O ATOM 1339 CB LYS A 91 49.744 -3.492 -4.145 1.00 17.22 C ATOM 1340 CG LYS A 91 50.357 -4.866 -3.847 1.00 18.29 C ATOM 1341 CD LYS A 91 51.352 -4.821 -2.683 1.00 20.03 C ATOM 1342 CE LYS A 91 51.950 -6.204 -2.376 1.00 19.31 C ATOM 1343 NZ LYS A 91 52.603 -6.866 -3.541 1.00 21.75 N ATOM 1344 HA LYS A 91 48.968 -3.160 -2.176 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.353 -3.508 -5.162 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.535 -2.745 -4.073 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.555 -5.560 -3.596 1.00 0.00 H ATOM 1348 HG3 LYS A 91 50.876 -5.219 -4.738 1.00 0.00 H ATOM 1349 HD2 LYS A 91 52.161 -4.137 -2.939 1.00 0.00 H ATOM 1350 HD3 LYS A 91 50.837 -4.456 -1.794 1.00 0.00 H ATOM 1351 HE2 LYS A 91 51.148 -6.851 -2.021 1.00 0.00 H ATOM 1352 HE3 LYS A 91 52.695 -6.086 -1.589 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 51.904 -6.999 -4.299 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 53.381 -6.269 -3.886 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 52.978 -7.791 -3.247 1.00 0.00 H ATOM 1356 H LYS A 91 46.845 -3.863 -4.183 1.00 0.00 H ATOM 1357 N TYR A 92 48.312 -0.814 -2.404 1.00 15.89 N ATOM 1358 CA TYR A 92 48.092 0.623 -2.482 1.00 15.60 C ATOM 1359 C TYR A 92 48.876 1.197 -3.664 1.00 15.65 C ATOM 1360 O TYR A 92 50.023 0.805 -3.873 1.00 15.36 O ATOM 1361 CB TYR A 92 48.549 1.283 -1.178 1.00 15.71 C ATOM 1362 CG TYR A 92 48.379 2.786 -1.148 1.00 15.49 C ATOM 1363 CD1 TYR A 92 47.192 3.363 -0.691 1.00 15.67 C ATOM 1364 CD2 TYR A 92 49.402 3.634 -1.582 1.00 15.39 C ATOM 1365 CE1 TYR A 92 47.030 4.749 -0.666 1.00 16.46 C ATOM 1366 CE2 TYR A 92 49.246 5.016 -1.555 1.00 15.44 C ATOM 1367 CZ TYR A 92 48.062 5.566 -1.102 1.00 16.40 C ATOM 1368 OH TYR A 92 47.920 6.938 -1.077 1.00 16.69 O ATOM 1369 HA TYR A 92 47.030 0.823 -2.628 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.605 1.056 -1.032 1.00 0.00 H ATOM 1371 HB2 TYR A 92 47.970 0.857 -0.358 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.336 3.206 -1.947 1.00 0.00 H ATOM 1373 HE2 TYR A 92 50.056 5.664 -1.890 1.00 0.00 H ATOM 1374 HE1 TYR A 92 46.099 5.186 -0.306 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.380 2.721 -0.349 1.00 0.00 H ATOM 1376 HH TYR A 92 47.022 7.169 -0.729 1.00 0.00 H ATOM 1377 H TYR A 92 48.569 -1.224 -1.484 1.00 0.00 H ATOM 1378 N PRO A 93 48.279 2.144 -4.421 1.00 15.65 N ATOM 1379 CA PRO A 93 46.971 2.807 -4.263 1.00 16.00 C ATOM 1380 C PRO A 93 45.770 2.016 -4.808 1.00 16.04 C ATOM 1381 O PRO A 93 44.634 2.498 -4.740 1.00 16.68 O ATOM 1382 CB PRO A 93 47.153 4.094 -5.067 1.00 15.83 C ATOM 1383 CG PRO A 93 48.078 3.703 -6.167 1.00 16.17 C ATOM 1384 CD PRO A 93 49.016 2.674 -5.588 1.00 15.74 C ATOM 1385 HA PRO A 93 46.731 2.937 -3.208 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.220 1.884 -6.310 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.955 3.134 -5.279 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.638 4.571 -6.515 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.517 3.277 -6.998 1.00 0.00 H ATOM 1390 HB2 PRO A 93 46.200 4.440 -5.466 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.593 4.878 -4.450 1.00 0.00 H ATOM 1392 N ASN A 94 46.020 0.822 -5.336 1.00 16.46 N ATOM 1393 CA ASN A 94 44.959 -0.004 -5.912 1.00 16.74 C ATOM 1394 C ASN A 94 44.396 -0.972 -4.890 1.00 16.28 C ATOM 1395 O ASN A 94 44.539 -2.189 -5.016 1.00 16.59 O ATOM 1396 CB ASN A 94 45.466 -0.755 -7.150 1.00 17.10 C ATOM 1397 CG ASN A 94 45.913 0.181 -8.259 1.00 18.39 C ATOM 1398 OD1 ASN A 94 47.041 0.089 -8.749 1.00 20.71 O ATOM 1399 ND2 ASN A 94 45.027 1.094 -8.657 1.00 19.95 N ATOM 1400 HA ASN A 94 44.152 0.660 -6.220 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.311 -1.379 -6.858 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.662 -1.387 -7.529 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.087 1.134 -8.214 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.276 1.766 -9.410 1.00 0.00 H ATOM 1405 H ASN A 94 46.997 0.465 -5.340 1.00 0.00 H ATOM 1406 N CYS A 95 43.742 -0.420 -3.875 1.00 16.05 N ATOM 1407 CA CYS A 95 43.242 -1.219 -2.771 1.00 15.32 C ATOM 1408 C CYS A 95 42.133 -2.160 -3.227 1.00 15.11 C ATOM 1409 O CYS A 95 41.185 -1.746 -3.895 1.00 15.62 O ATOM 1410 CB CYS A 95 42.761 -0.300 -1.650 1.00 15.09 C ATOM 1411 SG CYS A 95 44.076 0.817 -1.080 1.00 14.52 S ATOM 1412 HA CYS A 95 44.053 -1.841 -2.392 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.429 -0.911 -0.811 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.926 0.296 -2.017 1.00 0.00 H ATOM 1415 H CYS A 95 43.584 0.608 -3.871 1.00 0.00 H ATOM 1416 N ALA A 96 42.272 -3.428 -2.865 1.00 14.39 N ATOM 1417 CA ALA A 96 41.322 -4.451 -3.280 1.00 13.74 C ATOM 1418 C ALA A 96 40.742 -5.148 -2.060 1.00 13.57 C ATOM 1419 O ALA A 96 41.462 -5.414 -1.092 1.00 13.30 O ATOM 1420 CB ALA A 96 41.982 -5.450 -4.217 1.00 14.14 C ATOM 1421 HA ALA A 96 40.507 -3.973 -3.825 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.348 -4.929 -5.102 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.816 -5.930 -3.705 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.253 -6.204 -4.514 1.00 0.00 H ATOM 1425 H ALA A 96 43.080 -3.699 -2.269 1.00 0.00 H ATOM 1426 N TYR A 97 39.443 -5.436 -2.128 1.00 13.16 N ATOM 1427 CA TYR A 97 38.677 -5.928 -0.987 1.00 13.11 C ATOM 1428 C TYR A 97 37.759 -7.075 -1.338 1.00 13.61 C ATOM 1429 O TYR A 97 37.211 -7.136 -2.435 1.00 13.99 O ATOM 1430 CB TYR A 97 37.809 -4.806 -0.413 1.00 12.34 C ATOM 1431 CG TYR A 97 38.618 -3.728 0.223 1.00 11.46 C ATOM 1432 CD1 TYR A 97 39.062 -2.644 -0.524 1.00 10.68 C ATOM 1433 CD2 TYR A 97 38.972 -3.809 1.567 1.00 10.70 C ATOM 1434 CE1 TYR A 97 39.837 -1.658 0.042 1.00 10.96 C ATOM 1435 CE2 TYR A 97 39.753 -2.832 2.151 1.00 10.25 C ATOM 1436 CZ TYR A 97 40.184 -1.756 1.377 1.00 11.62 C ATOM 1437 OH TYR A 97 40.949 -0.778 1.963 1.00 11.93 O ATOM 1438 HA TYR A 97 39.413 -6.280 -0.264 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.140 -5.230 0.336 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.220 -4.371 -1.221 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.629 -4.653 2.165 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.029 -2.901 3.203 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.173 -0.810 -0.555 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.791 -2.573 -1.578 1.00 0.00 H ATOM 1445 HH TYR A 97 40.441 -0.363 2.705 1.00 0.00 H ATOM 1446 H TYR A 97 38.952 -5.304 -3.035 1.00 0.00 H ATOM 1447 N LYS A 98 37.593 -7.977 -0.380 1.00 14.00 N ATOM 1448 CA LYS A 98 36.531 -8.966 -0.425 1.00 14.68 C ATOM 1449 C LYS A 98 35.276 -8.361 0.222 1.00 13.93 C ATOM 1450 O LYS A 98 35.343 -7.732 1.289 1.00 14.18 O ATOM 1451 CB LYS A 98 36.987 -10.230 0.297 1.00 14.44 C ATOM 1452 CG LYS A 98 35.921 -11.282 0.545 1.00 15.95 C ATOM 1453 CD LYS A 98 36.514 -12.525 1.227 1.00 17.35 C ATOM 1454 CE LYS A 98 37.346 -12.192 2.482 1.00 20.55 C ATOM 1455 NZ LYS A 98 36.545 -11.805 3.679 1.00 22.89 N ATOM 1456 HA LYS A 98 36.294 -9.240 -1.453 1.00 0.00 H ATOM 1457 HB2 LYS A 98 37.775 -10.689 -0.301 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.393 -9.933 1.264 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.147 -10.860 1.186 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.482 -11.575 -0.409 1.00 0.00 H ATOM 1461 HD2 LYS A 98 35.696 -13.184 1.518 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.156 -13.039 0.512 1.00 0.00 H ATOM 1463 HE2 LYS A 98 38.012 -11.365 2.238 1.00 0.00 H ATOM 1464 HE3 LYS A 98 37.938 -13.070 2.739 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 35.982 -10.959 3.459 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 35.911 -12.588 3.938 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 37.186 -11.600 4.472 1.00 0.00 H ATOM 1468 H LYS A 98 38.245 -7.976 0.430 1.00 0.00 H ATOM 1469 N THR A 99 34.145 -8.514 -0.464 1.00 13.71 N ATOM 1470 CA THR A 99 32.855 -8.011 -0.005 1.00 12.80 C ATOM 1471 C THR A 99 32.046 -9.166 0.577 1.00 13.15 C ATOM 1472 O THR A 99 31.763 -10.131 -0.134 1.00 12.60 O ATOM 1473 CB THR A 99 32.064 -7.360 -1.179 1.00 13.23 C ATOM 1474 OG1 THR A 99 32.745 -6.176 -1.605 1.00 13.03 O ATOM 1475 CG2 THR A 99 30.622 -7.007 -0.778 1.00 12.38 C ATOM 1476 HA THR A 99 33.026 -7.251 0.758 1.00 0.00 H ATOM 1477 HB THR A 99 32.012 -8.085 -1.991 1.00 0.00 H ATOM 1478 HG1 THR A 99 33.657 -6.413 -1.909 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.105 -7.910 -0.454 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.640 -6.284 0.038 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.103 -6.577 -1.635 1.00 0.00 H ATOM 1482 H THR A 99 34.183 -9.018 -1.373 1.00 0.00 H ATOM 1483 N THR A 100 31.684 -9.072 1.865 1.00 13.07 N ATOM 1484 CA THR A 100 30.894 -10.112 2.528 1.00 13.95 C ATOM 1485 C THR A 100 29.715 -9.533 3.304 1.00 13.84 C ATOM 1486 O THR A 100 29.890 -8.749 4.243 1.00 15.07 O ATOM 1487 CB THR A 100 31.750 -10.984 3.488 1.00 13.71 C ATOM 1488 OG1 THR A 100 32.883 -11.506 2.781 1.00 14.98 O ATOM 1489 CG2 THR A 100 30.923 -12.163 4.029 1.00 15.23 C ATOM 1490 HA THR A 100 30.515 -10.743 1.724 1.00 0.00 H ATOM 1491 HB THR A 100 32.077 -10.360 4.320 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.432 -10.756 2.439 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.057 -11.780 4.569 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.589 -12.783 3.197 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.539 -12.759 4.703 1.00 0.00 H ATOM 1496 H THR A 100 31.973 -8.235 2.410 1.00 0.00 H ATOM 1497 N GLN A 101 28.519 -9.934 2.893 1.00 13.99 N ATOM 1498 CA GLN A 101 27.287 -9.552 3.565 1.00 14.05 C ATOM 1499 C GLN A 101 27.027 -10.454 4.780 1.00 13.26 C ATOM 1500 O GLN A 101 27.312 -11.658 4.765 1.00 13.61 O ATOM 1501 CB GLN A 101 26.119 -9.647 2.579 1.00 14.91 C ATOM 1502 CG GLN A 101 24.736 -9.302 3.116 1.00 17.68 C ATOM 1503 CD GLN A 101 24.578 -7.856 3.547 1.00 19.51 C ATOM 1504 OE1 GLN A 101 25.228 -6.951 3.016 1.00 21.25 O ATOM 1505 NE2 GLN A 101 23.697 -7.631 4.514 1.00 16.81 N ATOM 1506 HA GLN A 101 27.383 -8.526 3.919 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.330 -8.970 1.751 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.083 -10.671 2.208 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.005 -9.508 2.334 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.535 -9.939 3.977 1.00 0.00 H ATOM 1511 HE22 GLN A 101 23.171 -8.424 4.933 1.00 0.00 H ATOM 1512 HE21 GLN A 101 23.533 -6.661 4.852 1.00 0.00 H ATOM 1513 H GLN A 101 28.460 -10.547 2.055 1.00 0.00 H ATOM 1514 N ALA A 102 26.470 -9.865 5.829 1.00 12.33 N ATOM 1515 CA ALA A 102 26.086 -10.620 7.018 1.00 11.93 C ATOM 1516 C ALA A 102 24.882 -9.973 7.679 1.00 11.69 C ATOM 1517 O ALA A 102 24.543 -8.819 7.382 1.00 11.90 O ATOM 1518 CB ALA A 102 27.262 -10.682 8.016 1.00 12.78 C ATOM 1519 HA ALA A 102 25.825 -11.635 6.717 1.00 0.00 H ATOM 1520 HB1 ALA A 102 28.113 -11.171 7.543 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.541 -9.670 8.311 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.960 -11.248 8.897 1.00 0.00 H ATOM 1523 H ALA A 102 26.302 -8.839 5.804 1.00 0.00 H ATOM 1524 N ASN A 103 24.249 -10.722 8.577 1.00 11.30 N ATOM 1525 CA ASN A 103 23.222 -10.196 9.472 1.00 11.41 C ATOM 1526 C ASN A 103 23.651 -10.531 10.883 1.00 11.35 C ATOM 1527 O ASN A 103 23.603 -11.688 11.308 1.00 11.13 O ATOM 1528 CB ASN A 103 21.851 -10.776 9.138 1.00 11.71 C ATOM 1529 CG ASN A 103 21.342 -10.285 7.811 1.00 13.97 C ATOM 1530 OD1 ASN A 103 20.737 -9.216 7.724 1.00 17.59 O ATOM 1531 ND2 ASN A 103 21.595 -11.057 6.763 1.00 17.21 N ATOM 1532 HA ASN A 103 23.123 -9.116 9.358 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.926 -11.863 9.107 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.146 -10.484 9.916 1.00 0.00 H ATOM 1535 HD22 ASN A 103 22.110 -11.952 6.888 1.00 0.00 H ATOM 1536 HD21 ASN A 103 21.278 -10.768 5.816 1.00 0.00 H ATOM 1537 H ASN A 103 24.497 -11.730 8.645 1.00 0.00 H ATOM 1538 N LYS A 104 24.110 -9.505 11.594 1.00 10.84 N ATOM 1539 CA LYS A 104 24.774 -9.688 12.879 1.00 11.02 C ATOM 1540 C LYS A 104 24.434 -8.543 13.820 1.00 11.02 C ATOM 1541 O LYS A 104 23.950 -7.488 13.390 1.00 11.01 O ATOM 1542 CB LYS A 104 26.297 -9.758 12.685 1.00 11.36 C ATOM 1543 CG LYS A 104 26.768 -11.103 12.125 1.00 11.81 C ATOM 1544 CD LYS A 104 28.281 -11.193 12.014 1.00 12.55 C ATOM 1545 CE LYS A 104 28.683 -12.574 11.509 1.00 16.03 C ATOM 1546 NZ LYS A 104 30.152 -12.626 11.268 1.00 16.63 N ATOM 1547 HA LYS A 104 24.424 -10.623 13.316 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.596 -8.970 11.994 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.778 -9.595 13.649 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.418 -11.898 12.784 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.336 -11.239 11.133 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.638 -10.435 11.317 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.726 -11.022 12.994 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.157 -12.784 10.578 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.413 -13.323 12.254 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.411 -11.914 10.556 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.655 -12.428 12.156 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.412 -13.572 10.924 1.00 0.00 H ATOM 1559 H LYS A 104 23.991 -8.541 11.221 1.00 0.00 H ATOM 1560 N HIS A 105 24.673 -8.763 15.107 1.00 10.51 N ATOM 1561 CA HIS A 105 24.534 -7.692 16.074 1.00 10.31 C ATOM 1562 C HIS A 105 25.757 -6.831 15.933 1.00 10.48 C ATOM 1563 O HIS A 105 26.874 -7.347 15.798 1.00 11.78 O ATOM 1564 CB HIS A 105 24.443 -8.249 17.489 1.00 10.78 C ATOM 1565 CG HIS A 105 23.298 -9.186 17.677 1.00 12.38 C ATOM 1566 ND1 HIS A 105 22.030 -8.758 18.003 1.00 15.46 N ATOM 1567 CD2 HIS A 105 23.218 -10.529 17.535 1.00 14.53 C ATOM 1568 CE1 HIS A 105 21.223 -9.802 18.079 1.00 15.29 C ATOM 1569 NE2 HIS A 105 21.919 -10.888 17.803 1.00 15.54 N ATOM 1570 HA HIS A 105 23.622 -7.122 15.894 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.367 -8.781 17.713 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.328 -7.416 18.183 1.00 0.00 H ATOM 1573 HD2 HIS A 105 24.031 -11.200 17.260 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.162 -9.771 18.328 1.00 0.00 H ATOM 1575 H HIS A 105 24.962 -9.710 15.424 1.00 0.00 H ATOM 1576 N ILE A 106 25.556 -5.522 15.907 1.00 9.11 N ATOM 1577 CA ILE A 106 26.716 -4.616 15.845 1.00 8.95 C ATOM 1578 C ILE A 106 27.096 -4.102 17.224 1.00 7.85 C ATOM 1579 O ILE A 106 26.266 -4.015 18.121 1.00 7.96 O ATOM 1580 CB ILE A 106 26.512 -3.424 14.862 1.00 9.59 C ATOM 1581 CG1 ILE A 106 25.447 -2.441 15.378 1.00 11.15 C ATOM 1582 CG2 ILE A 106 26.164 -3.946 13.456 1.00 11.64 C ATOM 1583 CD1 ILE A 106 25.376 -1.118 14.600 1.00 10.21 C ATOM 1584 HA ILE A 106 27.537 -5.216 15.453 1.00 0.00 H ATOM 1585 HB ILE A 106 27.449 -2.871 14.799 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.474 -2.927 15.314 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.670 -2.213 16.420 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.338 -0.609 14.663 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.141 -1.324 13.556 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.600 -0.486 15.031 1.00 0.00 H ATOM 1591 HG21 ILE A 106 26.977 -4.574 13.092 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.245 -4.530 13.504 1.00 0.00 H ATOM 1593 HG23 ILE A 106 26.024 -3.102 12.781 1.00 0.00 H ATOM 1594 H ILE A 106 24.590 -5.138 15.930 1.00 0.00 H ATOM 1595 N ILE A 107 28.375 -3.781 17.393 1.00 5.48 N ATOM 1596 CA ILE A 107 28.848 -3.148 18.624 1.00 5.31 C ATOM 1597 C ILE A 107 29.523 -1.840 18.252 1.00 5.94 C ATOM 1598 O ILE A 107 30.464 -1.837 17.454 1.00 5.42 O ATOM 1599 CB ILE A 107 29.823 -4.053 19.414 1.00 4.52 C ATOM 1600 CG1 ILE A 107 29.147 -5.380 19.802 1.00 3.81 C ATOM 1601 CG2 ILE A 107 30.357 -3.300 20.645 1.00 5.54 C ATOM 1602 CD1 ILE A 107 30.103 -6.357 20.500 1.00 6.63 C ATOM 1603 HA ILE A 107 27.994 -2.971 19.278 1.00 0.00 H ATOM 1604 HB ILE A 107 30.672 -4.302 18.778 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.318 -5.164 20.475 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.765 -5.853 18.897 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.933 -6.590 19.833 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.485 -5.900 21.413 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.567 -7.273 20.748 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.883 -2.402 20.320 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.523 -3.021 21.289 1.00 0.00 H ATOM 1612 HG23 ILE A 107 31.042 -3.945 21.195 1.00 0.00 H ATOM 1613 H ILE A 107 29.055 -3.985 16.633 1.00 0.00 H ATOM 1614 N VAL A 108 29.021 -0.729 18.801 1.00 5.35 N ATOM 1615 CA VAL A 108 29.572 0.591 18.474 1.00 5.53 C ATOM 1616 C VAL A 108 29.965 1.320 19.754 1.00 5.44 C ATOM 1617 O VAL A 108 29.426 1.023 20.814 1.00 5.95 O ATOM 1618 CB VAL A 108 28.546 1.453 17.684 1.00 5.56 C ATOM 1619 CG1 VAL A 108 28.255 0.821 16.318 1.00 6.41 C ATOM 1620 CG2 VAL A 108 27.230 1.656 18.496 1.00 6.75 C ATOM 1621 HA VAL A 108 30.451 0.441 17.847 1.00 0.00 H ATOM 1622 HB VAL A 108 28.986 2.437 17.522 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.180 0.756 15.745 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.844 -0.178 16.462 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.535 1.438 15.780 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.780 0.685 18.705 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.458 2.161 19.434 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.536 2.263 17.914 1.00 0.00 H ATOM 1629 H VAL A 108 28.228 -0.802 19.470 1.00 0.00 H ATOM 1630 N ALA A 109 30.941 2.227 19.659 1.00 4.82 N ATOM 1631 CA ALA A 109 31.301 3.097 20.791 1.00 5.12 C ATOM 1632 C ALA A 109 30.548 4.407 20.624 1.00 5.03 C ATOM 1633 O ALA A 109 30.497 4.952 19.519 1.00 6.03 O ATOM 1634 CB ALA A 109 32.796 3.373 20.812 1.00 5.69 C ATOM 1635 HA ALA A 109 31.037 2.607 21.728 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.337 2.431 20.908 1.00 0.00 H ATOM 1637 HB2 ALA A 109 33.086 3.867 19.885 1.00 0.00 H ATOM 1638 HB3 ALA A 109 33.033 4.018 21.658 1.00 0.00 H ATOM 1639 H ALA A 109 31.460 2.321 18.763 1.00 0.00 H ATOM 1640 N CYS A 110 29.968 4.910 21.719 1.00 5.05 N ATOM 1641 CA CYS A 110 29.180 6.152 21.681 1.00 5.42 C ATOM 1642 C CYS A 110 29.803 7.229 22.556 1.00 5.17 C ATOM 1643 O CYS A 110 30.368 6.937 23.610 1.00 4.86 O ATOM 1644 CB CYS A 110 27.739 5.885 22.114 1.00 6.15 C ATOM 1645 SG CYS A 110 26.950 4.638 21.068 1.00 7.39 S ATOM 1646 HA CYS A 110 29.177 6.513 20.653 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.172 6.813 22.048 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.739 5.533 23.146 1.00 0.00 H ATOM 1649 H CYS A 110 30.077 4.409 22.624 1.00 0.00 H ATOM 1650 N GLU A 111 29.739 8.471 22.085 1.00 4.54 N ATOM 1651 CA GLU A 111 30.265 9.623 22.828 1.00 5.63 C ATOM 1652 C GLU A 111 29.431 10.836 22.516 1.00 4.97 C ATOM 1653 O GLU A 111 28.712 10.868 21.515 1.00 5.47 O ATOM 1654 CB GLU A 111 31.703 9.946 22.429 1.00 5.26 C ATOM 1655 CG GLU A 111 32.733 8.871 22.808 1.00 6.76 C ATOM 1656 CD GLU A 111 34.164 9.219 22.410 1.00 9.61 C ATOM 1657 OE1 GLU A 111 35.088 8.516 22.874 1.00 14.90 O ATOM 1658 OE2 GLU A 111 34.384 10.149 21.606 1.00 14.33 O ATOM 1659 HA GLU A 111 30.233 9.370 23.888 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.734 10.079 21.348 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.990 10.878 22.917 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.701 8.731 23.888 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.456 7.940 22.314 1.00 0.00 H ATOM 1664 H GLU A 111 29.300 8.632 21.156 1.00 0.00 H ATOM 1665 N GLY A 112 29.532 11.822 23.392 1.00 4.20 N ATOM 1666 CA GLY A 112 29.045 13.172 23.117 1.00 4.64 C ATOM 1667 C GLY A 112 27.659 13.491 23.606 1.00 5.96 C ATOM 1668 O GLY A 112 26.981 12.653 24.209 1.00 5.20 O ATOM 1669 HA3 GLY A 112 29.058 13.317 22.037 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.733 13.876 23.585 1.00 0.00 H ATOM 1671 H GLY A 112 29.975 11.629 24.313 1.00 0.00 H ATOM 1672 N ASN A 113 27.266 14.740 23.356 1.00 6.10 N ATOM 1673 CA ASN A 113 25.901 15.181 23.556 1.00 7.82 C ATOM 1674 C ASN A 113 25.442 15.892 22.281 1.00 7.87 C ATOM 1675 O ASN A 113 25.890 17.013 22.014 1.00 9.02 O ATOM 1676 CB ASN A 113 25.795 16.113 24.764 1.00 7.45 C ATOM 1677 CG ASN A 113 24.407 16.692 24.920 1.00 9.31 C ATOM 1678 OD1 ASN A 113 23.414 15.978 24.800 1.00 9.98 O ATOM 1679 ND2 ASN A 113 24.331 17.991 25.172 1.00 12.04 N ATOM 1680 HA ASN A 113 25.261 14.322 23.758 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.044 15.551 25.664 1.00 0.00 H ATOM 1682 HB3 ASN A 113 26.505 16.931 24.640 1.00 0.00 H ATOM 1683 HD22 ASN A 113 25.200 18.554 25.265 1.00 0.00 H ATOM 1684 HD21 ASN A 113 23.402 18.447 25.277 1.00 0.00 H ATOM 1685 H ASN A 113 27.966 15.424 23.004 1.00 0.00 H ATOM 1686 N PRO A 114 24.547 15.255 21.496 1.00 8.23 N ATOM 1687 CA PRO A 114 23.855 13.998 21.781 1.00 7.66 C ATOM 1688 C PRO A 114 24.795 12.789 21.782 1.00 7.58 C ATOM 1689 O PRO A 114 25.868 12.821 21.171 1.00 7.42 O ATOM 1690 CB PRO A 114 22.851 13.889 20.632 1.00 8.64 C ATOM 1691 CG PRO A 114 23.516 14.612 19.503 1.00 8.54 C ATOM 1692 CD PRO A 114 24.156 15.793 20.175 1.00 8.13 C ATOM 1693 HA PRO A 114 23.403 14.000 22.773 1.00 0.00 H ATOM 1694 HD3 PRO A 114 25.028 16.136 19.618 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.448 16.615 20.281 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.785 14.934 18.761 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.265 13.982 19.024 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.670 12.846 20.372 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.907 14.365 20.895 1.00 0.00 H ATOM 1700 N TYR A 115 24.370 11.743 22.469 1.00 6.48 N ATOM 1701 CA TYR A 115 25.168 10.522 22.590 1.00 5.85 C ATOM 1702 C TYR A 115 24.963 9.681 21.347 1.00 5.83 C ATOM 1703 O TYR A 115 23.894 9.095 21.148 1.00 6.33 O ATOM 1704 CB TYR A 115 24.705 9.757 23.808 1.00 5.95 C ATOM 1705 CG TYR A 115 25.698 8.784 24.405 1.00 5.24 C ATOM 1706 CD1 TYR A 115 26.986 9.194 24.784 1.00 5.15 C ATOM 1707 CD2 TYR A 115 25.321 7.467 24.676 1.00 4.72 C ATOM 1708 CE1 TYR A 115 27.877 8.293 25.377 1.00 5.21 C ATOM 1709 CE2 TYR A 115 26.181 6.577 25.266 1.00 4.93 C ATOM 1710 CZ TYR A 115 27.458 6.987 25.619 1.00 6.60 C ATOM 1711 OH TYR A 115 28.302 6.087 26.226 1.00 6.53 O ATOM 1712 HA TYR A 115 26.225 10.766 22.694 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.815 9.194 23.528 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.447 10.483 24.579 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.316 7.138 24.411 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.863 5.552 25.457 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.885 8.609 25.646 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.295 10.225 24.614 1.00 0.00 H ATOM 1719 HH TYR A 115 27.897 5.776 27.074 1.00 0.00 H ATOM 1720 H TYR A 115 23.442 11.789 22.937 1.00 0.00 H ATOM 1721 N VAL A 116 25.978 9.656 20.488 1.00 5.99 N ATOM 1722 CA VAL A 116 25.859 9.030 19.167 1.00 5.75 C ATOM 1723 C VAL A 116 27.059 8.123 18.850 1.00 5.82 C ATOM 1724 O VAL A 116 28.095 8.224 19.506 1.00 5.57 O ATOM 1725 CB VAL A 116 25.720 10.110 18.053 1.00 5.68 C ATOM 1726 CG1 VAL A 116 24.373 10.861 18.167 1.00 7.57 C ATOM 1727 CG2 VAL A 116 26.897 11.075 18.123 1.00 6.15 C ATOM 1728 HA VAL A 116 24.960 8.413 19.191 1.00 0.00 H ATOM 1729 HB VAL A 116 25.731 9.615 17.082 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.553 10.150 18.067 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.314 11.353 19.138 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.307 11.608 17.376 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.909 11.561 19.099 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.826 10.524 17.979 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.795 11.828 17.342 1.00 0.00 H ATOM 1736 H VAL A 116 26.882 10.093 20.761 1.00 0.00 H ATOM 1737 N PRO A 117 26.915 7.216 17.862 1.00 5.65 N ATOM 1738 CA PRO A 117 28.049 6.372 17.509 1.00 5.31 C ATOM 1739 C PRO A 117 29.235 7.156 16.957 1.00 5.15 C ATOM 1740 O PRO A 117 29.071 8.009 16.077 1.00 5.65 O ATOM 1741 CB PRO A 117 27.477 5.424 16.431 1.00 5.50 C ATOM 1742 CG PRO A 117 25.986 5.470 16.625 1.00 6.02 C ATOM 1743 CD PRO A 117 25.714 6.892 17.060 1.00 5.96 C ATOM 1744 HA PRO A 117 28.446 5.858 18.384 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.622 7.557 16.201 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.808 6.953 17.663 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.674 4.763 17.394 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.467 5.244 15.693 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.745 5.772 15.433 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.851 4.410 16.574 1.00 0.00 H ATOM 1751 N VAL A 118 30.428 6.853 17.470 1.00 5.47 N ATOM 1752 CA VAL A 118 31.664 7.459 16.939 1.00 5.64 C ATOM 1753 C VAL A 118 32.688 6.418 16.443 1.00 5.93 C ATOM 1754 O VAL A 118 33.619 6.762 15.732 1.00 6.50 O ATOM 1755 CB VAL A 118 32.352 8.434 17.942 1.00 5.90 C ATOM 1756 CG1 VAL A 118 31.485 9.644 18.202 1.00 5.11 C ATOM 1757 CG2 VAL A 118 32.639 7.710 19.259 1.00 5.98 C ATOM 1758 HA VAL A 118 31.327 8.039 16.080 1.00 0.00 H ATOM 1759 HB VAL A 118 33.290 8.772 17.501 1.00 0.00 H ATOM 1760 HG11 VAL A 118 31.310 10.172 17.265 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.532 9.323 18.623 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.990 10.307 18.905 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.702 7.354 19.688 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.299 6.863 19.070 1.00 0.00 H ATOM 1765 HG23 VAL A 118 33.120 8.399 19.954 1.00 0.00 H ATOM 1766 H VAL A 118 30.488 6.177 18.258 1.00 0.00 H ATOM 1767 N HIS A 119 32.516 5.152 16.825 1.00 6.00 N ATOM 1768 CA HIS A 119 33.409 4.082 16.327 1.00 6.34 C ATOM 1769 C HIS A 119 32.632 2.798 16.145 1.00 6.15 C ATOM 1770 O HIS A 119 31.678 2.520 16.885 1.00 6.70 O ATOM 1771 CB HIS A 119 34.576 3.801 17.274 1.00 7.24 C ATOM 1772 CG HIS A 119 35.406 4.998 17.613 1.00 8.84 C ATOM 1773 ND1 HIS A 119 36.145 5.820 16.831 1.00 9.90 N ATOM 1774 CD2 HIS A 119 35.547 5.464 18.903 1.00 14.80 C ATOM 1775 CE1 HIS A 119 36.698 6.772 17.653 1.00 14.53 C ATOM 1776 NE2 HIS A 119 36.328 6.530 18.898 1.00 12.51 N ATOM 1777 HA HIS A 119 33.811 4.435 15.377 1.00 0.00 H ATOM 1778 HB2 HIS A 119 34.172 3.394 18.201 1.00 0.00 H ATOM 1779 HB3 HIS A 119 35.223 3.060 16.805 1.00 0.00 H ATOM 1780 HD2 HIS A 119 35.087 5.023 19.787 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.338 7.593 17.330 1.00 0.00 H ATOM 1782 H HIS A 119 31.745 4.914 17.481 1.00 0.00 H ATOM 1783 N PHE A 120 33.040 2.013 15.149 1.00 5.08 N ATOM 1784 CA PHE A 120 32.491 0.679 14.980 1.00 5.01 C ATOM 1785 C PHE A 120 33.459 -0.312 15.609 1.00 4.96 C ATOM 1786 O PHE A 120 34.595 -0.436 15.163 1.00 5.42 O ATOM 1787 CB PHE A 120 32.278 0.374 13.494 1.00 4.76 C ATOM 1788 CG PHE A 120 31.500 -0.884 13.253 1.00 4.46 C ATOM 1789 CD1 PHE A 120 30.131 -0.825 12.992 1.00 4.02 C ATOM 1790 CD2 PHE A 120 32.133 -2.127 13.302 1.00 5.29 C ATOM 1791 CE1 PHE A 120 29.407 -1.995 12.789 1.00 6.49 C ATOM 1792 CE2 PHE A 120 31.420 -3.297 13.098 1.00 6.53 C ATOM 1793 CZ PHE A 120 30.044 -3.225 12.831 1.00 5.83 C ATOM 1794 HA PHE A 120 31.520 0.604 15.469 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.738 1.207 13.043 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.253 0.275 13.018 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.203 -2.178 13.504 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.922 -4.263 13.144 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.475 -4.138 12.656 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.335 -1.944 12.596 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.627 0.141 12.947 1.00 0.00 H ATOM 1802 H PHE A 120 33.761 2.360 14.484 1.00 0.00 H ATOM 1803 N ASP A 121 33.008 -1.022 16.643 1.00 4.47 N ATOM 1804 CA ASP A 121 33.926 -1.901 17.383 1.00 4.98 C ATOM 1805 C ASP A 121 34.005 -3.337 16.859 1.00 5.19 C ATOM 1806 O ASP A 121 35.099 -3.916 16.761 1.00 6.18 O ATOM 1807 CB ASP A 121 33.582 -1.897 18.878 1.00 4.91 C ATOM 1808 CG ASP A 121 34.786 -2.201 19.754 1.00 5.84 C ATOM 1809 OD1 ASP A 121 35.854 -1.585 19.532 1.00 6.52 O ATOM 1810 OD2 ASP A 121 34.666 -3.047 20.666 1.00 6.21 O ATOM 1811 HA ASP A 121 34.919 -1.480 17.222 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.195 -0.914 19.145 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.816 -2.650 19.063 1.00 0.00 H ATOM 1814 H ASP A 121 32.009 -0.955 16.926 1.00 0.00 H ATOM 1815 N ALA A 122 32.843 -3.919 16.569 1.00 5.13 N ATOM 1816 CA ALA A 122 32.753 -5.334 16.207 1.00 5.90 C ATOM 1817 C ALA A 122 31.362 -5.691 15.732 1.00 6.28 C ATOM 1818 O ALA A 122 30.410 -4.936 15.920 1.00 5.73 O ATOM 1819 CB ALA A 122 33.108 -6.212 17.406 1.00 6.10 C ATOM 1820 HA ALA A 122 33.460 -5.511 15.396 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.125 -5.991 17.728 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.415 -6.008 18.222 1.00 0.00 H ATOM 1823 HB3 ALA A 122 33.036 -7.261 17.120 1.00 0.00 H ATOM 1824 H ALA A 122 31.973 -3.350 16.601 1.00 0.00 H ATOM 1825 N SER A 123 31.255 -6.864 15.114 1.00 6.43 N ATOM 1826 CA SER A 123 29.958 -7.491 14.912 1.00 6.86 C ATOM 1827 C SER A 123 30.024 -8.868 15.551 1.00 6.99 C ATOM 1828 O SER A 123 31.085 -9.498 15.555 1.00 7.11 O ATOM 1829 CB SER A 123 29.593 -7.585 13.438 1.00 7.65 C ATOM 1830 OG SER A 123 30.465 -8.434 12.740 1.00 9.19 O ATOM 1831 HA SER A 123 29.176 -6.887 15.372 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.642 -6.589 12.998 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.578 -7.971 13.349 1.00 0.00 H ATOM 1834 HG SER A 123 31.389 -8.086 12.811 1.00 0.00 H ATOM 1835 H SER A 123 32.113 -7.341 14.770 1.00 0.00 H ATOM 1836 N VAL A 124 28.895 -9.321 16.085 1.00 6.79 N ATOM 1837 CA VAL A 124 28.838 -10.615 16.771 1.00 7.52 C ATOM 1838 C VAL A 124 27.581 -11.395 16.420 1.00 7.51 C ATOM 1839 O VAL A 124 26.570 -10.823 16.016 1.00 7.73 O ATOM 1840 CB VAL A 124 28.956 -10.497 18.328 1.00 7.28 C ATOM 1841 CG1 VAL A 124 30.322 -9.963 18.753 1.00 9.17 C ATOM 1842 CG2 VAL A 124 27.833 -9.657 18.902 1.00 8.79 C ATOM 1843 HA VAL A 124 29.710 -11.160 16.409 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.535 -12.621 16.553 1.00 7.84 O ATOM 1845 HB VAL A 124 28.861 -11.503 18.737 1.00 0.00 H ATOM 1846 HG11 VAL A 124 31.101 -10.639 18.400 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.474 -8.974 18.321 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.362 -9.896 19.840 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.874 -8.656 18.473 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.876 -10.118 18.660 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.944 -9.595 19.985 1.00 0.00 H ATOM 1852 H VAL A 124 28.032 -8.745 16.015 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 38.270 3.700 12.355 1.00 27.91 O HETATM 1855 O HOH 2 31.244 7.784 26.146 1.00 8.18 O HETATM 1856 O HOH 3 37.634 -0.602 21.298 1.00 11.03 O HETATM 1857 O HOH 4 32.242 -7.011 25.199 1.00 9.85 O HETATM 1858 O HOH 5 25.255 10.659 13.894 1.00 15.00 O HETATM 1859 O HOH 6 27.405 8.927 14.064 1.00 10.53 O HETATM 1860 O HOH 7 16.754 0.172 9.574 1.00 15.38 O HETATM 1861 O HOH 8 34.922 -5.587 -3.382 1.00 16.33 O HETATM 1862 O HOH 9 17.981 0.101 16.804 1.00 14.47 O HETATM 1863 O HOH 10 40.865 -1.547 9.796 1.00 22.39 O HETATM 1864 O HOH 11 36.519 2.021 21.269 1.00 15.68 O HETATM 1865 O HOH 12 17.226 7.774 9.927 1.00 22.07 O HETATM 1866 O HOH 13 35.835 3.578 23.242 1.00 13.10 O HETATM 1867 O HOH 14 29.730 6.333 -1.246 1.00 26.33 O HETATM 1868 O HOH 15 18.688 -0.899 26.797 1.00 15.98 O HETATM 1869 O HOH 16 16.443 1.325 20.860 1.00 23.71 O HETATM 1870 O HOH 17 33.187 -5.001 21.959 1.00 8.89 O HETATM 1871 O HOH 18 35.324 3.031 13.655 1.00 13.32 O HETATM 1872 O HOH 19 34.368 8.851 14.306 1.00 18.22 O HETATM 1873 O HOH 20 27.329 14.317 19.569 1.00 16.76 O HETATM 1874 O HOH 21 28.875 -3.500 -9.063 1.00 23.72 O HETATM 1875 O HOH 22 18.510 -0.044 2.296 1.00 37.33 O HETATM 1876 O HOH 23 17.508 6.878 17.145 1.00 18.26 O HETATM 1877 O HOH 24 33.548 -7.650 21.198 1.00 10.02 O HETATM 1878 O HOH 25 34.888 -9.714 3.578 1.00 20.04 O HETATM 1879 O HOH 26 34.046 -9.532 19.228 1.00 18.10 O HETATM 1880 O HOH 27 26.775 -3.409 -10.936 1.00 23.05 O HETATM 1881 O HOH 28 34.794 5.923 22.100 1.00 15.63 O HETATM 1882 O HOH 29 26.897 13.390 11.240 1.00 35.38 O HETATM 1883 O HOH 30 24.202 -5.026 0.818 1.00 65.49 O HETATM 1884 O HOH 31 29.551 12.219 7.089 1.00 21.67 O HETATM 1885 O HOH 32 21.863 12.163 23.901 1.00 26.10 O HETATM 1886 O HOH 33 19.291 -8.315 10.132 1.00 26.44 O HETATM 1887 O HOH 34 25.422 0.512 31.639 1.00 15.04 O HETATM 1888 O HOH 35 29.616 12.708 19.296 1.00 14.17 O HETATM 1889 O HOH 36 22.294 -8.446 21.160 1.00 22.13 O HETATM 1890 O HOH 37 33.396 -10.167 16.688 1.00 20.10 O HETATM 1891 O HOH 38 30.724 14.119 17.000 1.00 18.25 O HETATM 1892 O HOH 39 22.447 8.137 19.155 1.00 21.62 O HETATM 1893 O HOH 40 31.908 13.785 6.428 1.00 28.02 O HETATM 1894 O HOH 41 25.077 -13.374 8.753 1.00 25.51 O HETATM 1895 O HOH 42 34.276 6.089 12.637 1.00 18.67 O HETATM 1896 O HOH 43 25.007 12.962 15.281 1.00 17.26 O HETATM 1897 O HOH 44 43.900 4.888 -3.262 1.00 29.01 O HETATM 1898 O HOH 45 30.664 -10.311 6.654 1.00 31.53 O HETATM 1899 O HOH 46 33.998 15.707 16.776 1.00 22.08 O HETATM 1900 O HOH 47 46.853 -1.752 4.172 1.00 24.21 O HETATM 1901 O HOH 48 34.011 -7.930 14.388 1.00 19.41 O HETATM 1902 O HOH 49 18.459 -10.978 18.165 1.00 31.29 O HETATM 1903 O HOH 50 49.468 -7.129 -0.533 1.00 43.59 O HETATM 1904 O HOH 51 27.888 -9.593 -7.138 1.00 22.52 O HETATM 1905 O HOH 52 45.912 -4.239 -5.955 1.00 30.95 O HETATM 1906 O HOH 53 22.005 -9.679 27.721 1.00 17.43 O HETATM 1907 O HOH 54 41.106 2.345 -3.591 1.00 36.00 O HETATM 1908 O HOH 55 18.416 -3.363 17.966 1.00 20.04 O HETATM 1909 O HOH 56 41.733 -4.020 11.210 1.00 34.29 O HETATM 1910 O HOH 57 39.297 0.360 -3.150 1.00 24.10 O HETATM 1911 O HOH 58 24.004 -8.701 -5.452 1.00 25.93 O HETATM 1912 O HOH 59 40.271 -10.829 2.028 1.00 42.99 O HETATM 1913 O HOH 60 23.952 1.830 29.569 1.00 21.21 O HETATM 1914 O HOH 61 17.366 -2.410 15.547 1.00 19.38 O HETATM 1915 O HOH 62 34.139 11.612 19.745 1.00 26.59 O HETATM 1916 O HOH 63 39.757 -0.973 19.585 1.00 24.63 O HETATM 1917 O HOH 64 20.443 10.037 18.749 1.00 29.12 O HETATM 1918 O HOH 65 24.689 -3.028 -0.856 1.00 29.94 O HETATM 1919 O HOH 66 26.462 14.706 16.899 1.00 18.95 O HETATM 1920 O HOH 67 20.473 6.226 21.456 1.00 23.65 O HETATM 1921 O HOH 68 30.293 -13.827 17.208 1.00 31.23 O HETATM 1922 O HOH 69 47.900 -1.932 6.654 1.00 30.73 O HETATM 1923 O HOH 70 18.519 -3.413 5.321 1.00 42.20 O HETATM 1924 O HOH 71 48.120 -0.087 2.454 1.00 25.14 O HETATM 1925 O HOH 72 34.280 -9.466 -3.229 1.00 26.93 O HETATM 1926 O HOH 73 25.733 14.796 13.254 1.00 28.68 O HETATM 1927 O HOH 74 37.599 -3.038 16.274 1.00 21.02 O HETATM 1928 O HOH 75 40.856 1.201 28.309 1.00 28.53 O HETATM 1929 O HOH 76 18.521 9.338 16.695 1.00 23.98 O HETATM 1930 O HOH 77 47.219 -12.945 -2.527 1.00 46.95 O HETATM 1931 O HOH 78 41.951 7.221 3.638 1.00 44.01 O HETATM 1932 O HOH 79 30.841 3.650 -4.309 1.00 33.27 O HETATM 1933 O HOH 80 32.998 19.563 10.633 1.00 31.47 O HETATM 1934 O HOH 81 37.731 13.602 10.670 1.00 39.21 O HETATM 1935 O HOH 82 24.352 -12.391 15.421 1.00 30.60 O HETATM 1936 O HOH 83 23.018 4.662 26.988 1.00 23.01 O HETATM 1937 O HOH 84 20.593 -8.708 24.586 1.00 27.76 O HETATM 1938 O HOH 85 20.843 12.509 17.732 1.00 33.20 O HETATM 1939 O HOH 86 17.408 -10.171 15.538 1.00 29.68 O HETATM 1940 O HOH 87 42.489 0.313 10.439 1.00 34.83 O HETATM 1941 O HOH 88 32.464 -11.488 -3.473 1.00 27.53 O HETATM 1942 O HOH 89 40.506 -2.483 -6.608 1.00 36.90 O HETATM 1943 O HOH 90 39.738 6.733 -0.950 1.00 29.80 O HETATM 1944 O HOH 91 45.285 -1.019 10.853 1.00 33.54 O HETATM 1945 O HOH 92 17.937 -6.223 9.040 1.00 29.77 O HETATM 1946 O HOH 93 14.325 4.331 10.912 1.00 27.15 O HETATM 1947 O HOH 94 22.760 -13.756 6.975 1.00 32.66 O HETATM 1948 O HOH 95 35.823 -4.339 -8.230 1.00 31.26 O HETATM 1949 O HOH 96 21.401 16.897 23.109 1.00 36.90 O HETATM 1950 O HOH 97 14.796 -2.789 14.975 1.00 32.16 O HETATM 1951 O HOH 98 32.248 -15.386 -5.702 1.00 31.46 O HETATM 1952 O HOH 99 38.534 3.757 20.315 1.00 34.07 O HETATM 1953 O HOH 100 16.713 -7.788 12.664 1.00 33.52 O HETATM 1954 O HOH 101 31.993 -6.862 11.426 1.00 19.69 O HETATM 1955 O HOH 102 21.729 8.267 22.690 1.00 29.52 O HETATM 1956 O HOH 103 37.993 -7.657 -5.005 1.00 30.26 O HETATM 1957 O HOH 104 29.305 1.884 31.383 1.00 27.96 O HETATM 1958 O HOH 105 32.715 15.852 19.049 1.00 26.29 O HETATM 1959 O HOH 106 18.462 10.315 12.907 1.00 31.93 O HETATM 1960 O HOH 107 45.489 -5.906 5.067 1.00 34.69 O HETATM 1961 O HOH 108 28.259 16.889 19.615 1.00 33.57 O HETATM 1962 O HOH 109 23.282 -11.702 4.685 1.00 33.93 O HETATM 1963 O HOH 110 21.602 -12.204 26.463 1.00 29.53 O HETATM 1964 O HOH 111 29.010 16.034 16.298 1.00 27.45 O HETATM 1965 O HOH 112 36.454 14.555 16.709 1.00 39.12 O HETATM 1966 O HOH 113 37.535 1.228 -6.844 1.00 36.55 O HETATM 1967 O HOH 114 25.991 -10.448 -4.604 1.00 17.86 O HETATM 1968 O HOH 115 25.655 -8.305 -7.681 1.00 24.42 O HETATM 1969 O HOH 116 30.256 4.261 29.856 1.00 23.17 O HETATM 1970 O HOH 117 35.655 2.759 -7.918 1.00 32.85 O HETATM 1971 O HOH 118 37.121 12.707 14.849 1.00 35.62 O HETATM 1972 O HOH 119 36.863 12.405 3.872 1.00 29.49 O HETATM 1973 O HOH 120 40.101 -8.237 20.680 1.00 26.71 O HETATM 1974 O HOH 121 37.811 -10.021 20.468 1.00 18.18 O HETATM 1975 O HOH 122 30.442 17.340 10.440 1.00 24.60 O HETATM 1976 O HOH 123 36.211 13.095 19.232 1.00 27.53 O HETATM 1977 O HOH 124 32.254 13.151 20.056 1.00 25.63 O HETATM 1978 O HOH 125 24.190 6.010 1.473 1.00 46.34 O HETATM 1979 O HOH 126 26.695 5.662 -0.365 1.00 31.72 O HETATM 1980 O HOH 127 32.917 -12.857 -5.641 1.00 30.34 O HETATM 1981 O HOH 128 26.825 -3.264 -5.191 1.00 25.29 O HETATM 1982 O HOH 129 25.237 -1.856 -3.652 1.00 33.23 O HETATM 1983 O HOH 130 35.138 -1.923 -8.931 1.00 46.11 O HETATM 1984 O HOH 131 29.293 1.500 -4.772 1.00 38.00 O HETATM 1985 O HOH 132 19.014 -8.647 5.666 1.00 31.83 O HETATM 1986 O HOH 133 38.974 8.159 6.753 1.00 35.12 O HETATM 1987 O HOH 134 40.637 6.002 6.690 1.00 31.37 O HETATM 1988 O HOH 135 49.674 3.427 8.865 1.00 36.14 O HETATM 1989 O HOH 136 14.771 6.742 9.384 1.00 36.89 O HETATM 1990 O HOH 137 22.440 13.687 15.875 1.00 25.67 O HETATM 1991 O HOH 138 21.530 12.788 13.186 1.00 22.18 O HETATM 1992 O HOH 139 30.887 -1.713 29.708 1.00 31.78 O HETATM 1993 O HOH 140 28.815 -9.485 26.158 1.00 28.90 O HETATM 1994 O HOH 141 30.845 -7.707 27.389 1.00 23.69 O HETATM 1995 O HOH 142 40.902 -6.618 22.746 1.00 22.58 O HETATM 1996 O HOH 143 31.716 5.052 33.243 1.00 30.20 O HETATM 1997 O HOH 144 48.792 -1.992 0.261 1.00 32.39 O HETATM 1998 O HOH 145 24.129 -13.679 13.164 1.00 31.68 O HETATM 1999 O HOH 146 24.745 16.825 16.604 1.00 26.73 O HETATM 2000 O HOH 147 20.048 -12.831 17.358 1.00 35.45 O HETATM 2001 O HOH 148 36.315 5.355 14.118 1.00 23.49 O HETATM 2002 O HOH 149 32.448 20.117 16.051 1.00 30.01 O HETATM 2003 O HOH 150 31.445 21.128 13.703 1.00 29.95 O HETATM 2004 O HOH 151 34.711 4.525 -6.087 1.00 31.13 O HETATM 2005 O HOH 152 50.074 8.748 -0.453 1.00 33.68 O HETATM 2006 O HOH 153 18.667 -9.016 22.717 1.00 35.38 O HETATM 2007 O HOH 154 35.471 1.037 18.750 1.00 18.23 O HETATM 2008 O HOH 155 37.293 1.406 17.002 1.00 26.88 O HETATM 2009 O HOH 156 36.036 9.883 18.202 1.00 35.52 O HETATM 2010 O HOH 157 36.533 10.181 15.521 1.00 26.11 O HETATM 2011 O HOH 158 39.172 -5.046 15.640 1.00 34.78 O HETATM 2012 O HOH 159 39.375 -5.858 13.249 1.00 48.89 O HETATM 2013 O HOH 160 38.327 -8.325 12.696 1.00 43.91 O HETATM 2014 O HOH 161 46.607 -2.804 14.497 1.00 41.41 O HETATM 2015 O HOH 162 39.702 4.850 14.141 1.00 48.13 O HETATM 2016 O HOH 163 42.858 4.541 5.962 1.00 34.93 O HETATM 2017 O HOH 164 40.968 3.189 12.384 1.00 39.09 O HETATM 2018 O HOH 165 39.935 5.071 10.726 1.00 44.72 O HETATM 2019 O HOH 166 22.460 -4.955 29.836 1.00 19.82 O HETATM 2020 O HOH 167 25.062 -5.036 29.847 1.00 21.94 O HETATM 2021 C4 U A 2 34.941 -4.630 12.385 1.00 0.18 C HETATM 2022 C5 U A 2 36.119 -4.523 13.123 1.00 0.01 C HETATM 2023 C6 U A 2 36.910 -3.382 12.962 1.00 0.06 C HETATM 2024 N1 U A 2 36.533 -2.331 12.082 1.00 -0.16 N HETATM 2025 C1' U A 2 37.390 -1.108 11.906 1.00 0.21 C HETATM 2026 O4' U A 2 38.709 -1.355 12.477 1.00 -0.33 O HETATM 2027 C4' U A 2 38.557 -0.835 13.849 1.00 0.13 C HETATM 2028 C5' U A 2 39.752 -0.729 14.812 1.00 -0.00 C HETATM 2029 NBA U A 2 40.917 -1.468 14.328 1.00 0.24 N HETATM 2030 CAM U A 2 41.390 -2.310 15.441 1.00 -0.01 C HETATM 2031 CAK U A 2 42.780 -2.888 15.126 1.00 0.09 C HETATM 2032 OAM U A 2 43.670 -1.800 14.801 1.00 -0.37 O HETATM 2033 CAJ U A 2 43.245 -1.111 13.604 1.00 0.09 C HETATM 2034 CAL U A 2 41.900 -0.448 13.918 1.00 -0.01 C HETATM 2035 H10 U A 2 41.532 0.072 13.021 1.00 0.08 H HETATM 2036 H11 U A 2 42.033 0.278 14.734 1.00 0.08 H HETATM 2037 H8 U A 2 43.128 -1.828 12.778 1.00 0.06 H HETATM 2038 H9 U A 2 43.986 -0.347 13.325 1.00 0.06 H HETATM 2039 H4 U A 2 43.163 -3.430 16.003 1.00 0.06 H HETATM 2040 H5 U A 2 42.709 -3.577 14.271 1.00 0.06 H HETATM 2041 H6 U A 2 41.450 -1.701 16.355 1.00 0.08 H HETATM 2042 H7 U A 2 40.681 -3.136 15.596 1.00 0.08 H HETATM 2043 H12 U A 2 40.677 -2.050 13.541 1.00 0.20 H HETATM 2044 H13 U A 2 40.025 0.331 14.922 1.00 0.08 H HETATM 2045 H14 U A 2 39.456 -1.135 15.790 1.00 0.08 H HETATM 2046 C3' U A 2 38.016 0.536 13.534 1.00 0.12 C HETATM 2047 O3' U A 2 37.512 1.254 14.655 1.00 -0.39 O HETATM 2048 H17 U A 2 38.207 1.374 15.291 1.00 0.21 H HETATM 2049 C2' U A 2 36.865 0.155 12.634 1.00 0.14 C HETATM 2050 O2' U A 2 36.788 1.258 11.753 1.00 -0.38 O HETATM 2051 H19 U A 2 36.621 2.049 12.252 1.00 0.21 H HETATM 2052 H18 U A 2 35.919 -0.029 13.164 1.00 0.07 H HETATM 2053 H16 U A 2 38.768 1.150 13.016 1.00 0.06 H HETATM 2054 H15 U A 2 37.799 -1.442 14.365 1.00 0.07 H HETATM 2055 H20 U A 2 37.475 -0.896 10.830 1.00 0.10 H HETATM 2056 C2 U A 2 35.363 -2.462 11.334 1.00 0.33 C HETATM 2057 N3 U A 2 34.590 -3.611 11.494 1.00 -0.19 N HETATM 2058 H3 U A 2 33.755 -3.710 10.953 1.00 0.23 H HETATM 2059 O2 U A 2 34.978 -1.579 10.568 1.00 -0.38 O HETATM 2060 H2 U A 2 37.838 -3.296 13.525 1.00 0.12 H HETATM 2061 H1 U A 2 36.417 -5.313 13.811 1.00 0.03 H HETATM 2062 O4 U A 2 34.221 -5.621 12.475 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 2021 2022 2057 2062 CONECT 2022 2021 2023 2061 CONECT 2023 2022 2024 2060 CONECT 2024 2023 2025 2056 CONECT 2025 2024 2026 2049 2055 CONECT 2026 2025 2027 CONECT 2027 2026 2028 2046 2054 CONECT 2028 2027 2029 2044 2045 CONECT 2029 2028 2030 2034 2043 CONECT 2030 2029 2031 2041 2042 CONECT 2031 2030 2032 2039 2040 CONECT 2032 2031 2033 CONECT 2033 2032 2034 2037 2038 CONECT 2034 2029 2033 2035 2036 CONECT 2035 2034 CONECT 2036 2034 CONECT 2037 2033 CONECT 2038 2033 CONECT 2039 2031 CONECT 2040 2031 CONECT 2041 2030 CONECT 2042 2030 CONECT 2043 2029 CONECT 2044 2028 CONECT 2045 2028 CONECT 2046 2027 2047 2049 2053 CONECT 2047 2046 2048 CONECT 2048 2047 CONECT 2049 2025 2046 2050 2052 CONECT 2050 2049 2051 CONECT 2051 2050 CONECT 2052 2049 CONECT 2053 2046 CONECT 2054 2027 CONECT 2055 2025 CONECT 2056 2024 2057 2059 CONECT 2057 2021 2056 2058 CONECT 2058 2057 CONECT 2059 2056 CONECT 2060 2023 CONECT 2061 2022 CONECT 2062 2021 MASTER 0 0 0 0 0 0 0 0 2061 1 54 10 END
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Structure:
Ligand 2D
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104aa, >1J81_2|Chain... at 99%
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RCSB PDB
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1o0m
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PDBbind
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1o0n
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PDBbind
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1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
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RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
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PDBbind
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PDBbind
124aa, >1W4P_1|Chains... at 99%
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PDBbind
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1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
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PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
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RCSB PDB
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PDBbind
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3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6q
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PDBbind
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PDBbind
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3d8y
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3dxh
RCSB PDB
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3d6p
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Ribonuclease pancreatic
Ligand Name
U2S
EC.Number
E.C.3.1.27.5
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Ki=179uM
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
3
H
2
0
N
3
O
6
Molecular Weight
314.314
Exact Mass
314.135
No. of atoms
42
No. of bonds
44
Polar Surface Area
118.22
LOGP Value
-2.51 (
Computed with XLOGP3
)
-2.36 (
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: 9
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+]1CCOCC1
InChI String
InChI=1S/C13H19N3O6/c17-9-1-2-16(13(20)14-9)12-11(19)10(18)8(22-12)7-15-3-5-21-6-4-15/h1-2,8,10-12,18-19H,3-7H2,(H,14,17,20)/p+1/t8-,10-,11+,12+/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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