Browse entries in the PDBbind-CN Database
HEADER 1AFK_COMPLEX COMPND 1AFK_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 PAP A 218 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 36.746 -20.748 26.111 1.00 45.74 N ATOM 2 CA LYS A 1 37.454 -19.448 25.930 1.00 44.11 C ATOM 3 C LYS A 1 36.371 -18.397 25.697 1.00 41.71 C ATOM 4 O LYS A 1 35.328 -18.702 25.105 1.00 42.66 O ATOM 5 CB LYS A 1 38.393 -19.526 24.725 1.00 46.37 C ATOM 6 CG LYS A 1 39.400 -18.387 24.617 1.00 50.39 C ATOM 7 CD LYS A 1 40.382 -18.379 25.786 1.00 53.73 C ATOM 8 CE LYS A 1 39.914 -17.489 26.947 1.00 55.04 C ATOM 9 NZ LYS A 1 39.852 -16.042 26.570 1.00 55.13 N ATOM 10 HA LYS A 1 38.060 -19.199 26.801 1.00 0.00 H ATOM 11 HB2 LYS A 1 38.947 -20.463 24.788 1.00 0.00 H ATOM 12 HB3 LYS A 1 37.784 -19.526 23.821 1.00 0.00 H ATOM 13 HG2 LYS A 1 39.959 -18.498 23.688 1.00 0.00 H ATOM 14 HG3 LYS A 1 38.861 -17.440 24.604 1.00 0.00 H ATOM 15 HD2 LYS A 1 40.497 -19.399 26.152 1.00 0.00 H ATOM 16 HD3 LYS A 1 41.345 -18.012 25.431 1.00 0.00 H ATOM 17 HE2 LYS A 1 40.609 -17.605 27.779 1.00 0.00 H ATOM 18 HE3 LYS A 1 38.921 -17.813 27.258 1.00 0.00 H ATOM 19 HZ1 LYS A 1 40.797 -15.720 26.279 1.00 0.00 H ATOM 20 HZ2 LYS A 1 39.185 -15.919 25.782 1.00 0.00 H ATOM 21 HZ3 LYS A 1 39.531 -15.485 27.388 1.00 0.00 H ATOM 22 HN3 LYS A 1 36.195 -20.963 25.256 1.00 0.00 H ATOM 23 HN2 LYS A 1 36.107 -20.683 26.929 1.00 0.00 H ATOM 24 HN1 LYS A 1 37.444 -21.502 26.274 1.00 0.00 H ATOM 25 N GLU A 2 36.596 -17.189 26.205 1.00 37.48 N ATOM 26 CA GLU A 2 35.633 -16.098 26.074 1.00 31.32 C ATOM 27 C GLU A 2 35.539 -15.626 24.624 1.00 27.38 C ATOM 28 O GLU A 2 36.562 -15.356 23.985 1.00 26.14 O ATOM 29 CB GLU A 2 36.043 -14.930 26.989 1.00 28.45 C ATOM 30 CG GLU A 2 35.039 -13.800 27.076 1.00 24.78 C ATOM 31 CD GLU A 2 35.454 -12.706 28.052 1.00 23.36 C ATOM 32 OE1 GLU A 2 36.567 -12.153 27.930 1.00 21.61 O ATOM 33 OE2 GLU A 2 34.653 -12.392 28.946 1.00 23.42 O ATOM 34 HA GLU A 2 34.651 -16.463 26.375 1.00 0.00 H ATOM 35 HB2 GLU A 2 36.195 -15.325 27.993 1.00 0.00 H ATOM 36 HB3 GLU A 2 36.981 -14.521 26.615 1.00 0.00 H ATOM 37 HG2 GLU A 2 34.927 -13.358 26.086 1.00 0.00 H ATOM 38 HG3 GLU A 2 34.082 -14.210 27.400 1.00 0.00 H ATOM 39 H GLU A 2 37.487 -17.015 26.712 1.00 0.00 H ATOM 40 N THR A 3 34.322 -15.593 24.092 1.00 25.62 N ATOM 41 CA THR A 3 34.111 -15.116 22.725 1.00 22.55 C ATOM 42 C THR A 3 34.187 -13.589 22.766 1.00 21.93 C ATOM 43 O THR A 3 34.095 -12.973 23.848 1.00 17.65 O ATOM 44 CB THR A 3 32.727 -15.503 22.166 1.00 21.22 C ATOM 45 OG1 THR A 3 31.707 -14.847 22.917 1.00 23.03 O ATOM 46 CG2 THR A 3 32.502 -16.992 22.232 1.00 22.43 C ATOM 47 HA THR A 3 34.866 -15.568 22.082 1.00 0.00 H ATOM 48 HB THR A 3 32.690 -15.193 21.122 1.00 0.00 H ATOM 49 HG1 THR A 3 30.820 -15.098 22.556 1.00 0.00 H ATOM 50 HG23 THR A 3 33.278 -17.501 21.660 1.00 0.00 H ATOM 51 HG21 THR A 3 32.542 -17.318 23.271 1.00 0.00 H ATOM 52 HG22 THR A 3 31.525 -17.229 21.812 1.00 0.00 H ATOM 53 H THR A 3 33.508 -15.911 24.655 1.00 0.00 H ATOM 54 N ALA A 4 34.328 -12.985 21.588 1.00 21.15 N ATOM 55 CA ALA A 4 34.408 -11.533 21.451 1.00 19.69 C ATOM 56 C ALA A 4 33.079 -10.897 21.835 1.00 18.83 C ATOM 57 O ALA A 4 33.050 -9.799 22.396 1.00 20.50 O ATOM 58 CB ALA A 4 34.797 -11.151 20.027 1.00 20.70 C ATOM 59 HA ALA A 4 35.179 -11.159 22.125 1.00 0.00 H ATOM 60 HB1 ALA A 4 35.769 -11.584 19.789 1.00 0.00 H ATOM 61 HB2 ALA A 4 34.048 -11.532 19.333 1.00 0.00 H ATOM 62 HB3 ALA A 4 34.851 -10.065 19.945 1.00 0.00 H ATOM 63 H ALA A 4 34.383 -13.571 20.730 1.00 0.00 H ATOM 64 N ALA A 5 31.980 -11.593 21.561 1.00 17.01 N ATOM 65 CA ALA A 5 30.673 -11.073 21.926 1.00 16.82 C ATOM 66 C ALA A 5 30.557 -11.035 23.458 1.00 18.02 C ATOM 67 O ALA A 5 30.015 -10.059 24.017 1.00 16.89 O ATOM 68 CB ALA A 5 29.583 -11.930 21.344 1.00 16.23 C ATOM 69 HA ALA A 5 30.562 -10.065 21.526 1.00 0.00 H ATOM 70 HB1 ALA A 5 29.670 -11.938 20.258 1.00 0.00 H ATOM 71 HB2 ALA A 5 29.679 -12.947 21.725 1.00 0.00 H ATOM 72 HB3 ALA A 5 28.612 -11.524 21.629 1.00 0.00 H ATOM 73 H ALA A 5 32.056 -12.514 21.083 1.00 0.00 H ATOM 74 N ALA A 6 31.067 -12.089 24.122 1.00 16.30 N ATOM 75 CA ALA A 6 31.037 -12.203 25.586 1.00 14.94 C ATOM 76 C ALA A 6 31.941 -11.164 26.234 1.00 13.12 C ATOM 77 O ALA A 6 31.611 -10.615 27.296 1.00 14.95 O ATOM 78 CB ALA A 6 31.452 -13.599 26.025 1.00 15.09 C ATOM 79 HA ALA A 6 30.013 -12.021 25.912 1.00 0.00 H ATOM 80 HB1 ALA A 6 30.766 -14.331 25.600 1.00 0.00 H ATOM 81 HB2 ALA A 6 32.464 -13.802 25.676 1.00 0.00 H ATOM 82 HB3 ALA A 6 31.422 -13.660 27.113 1.00 0.00 H ATOM 83 H ALA A 6 31.502 -12.858 23.573 1.00 0.00 H ATOM 84 N LYS A 7 33.078 -10.910 25.601 1.00 13.24 N ATOM 85 CA LYS A 7 34.034 -9.918 26.069 1.00 14.19 C ATOM 86 C LYS A 7 33.401 -8.516 26.012 1.00 14.51 C ATOM 87 O LYS A 7 33.596 -7.701 26.919 1.00 13.00 O ATOM 88 CB LYS A 7 35.309 -9.954 25.222 1.00 14.94 C ATOM 89 CG LYS A 7 36.430 -9.090 25.781 1.00 15.53 C ATOM 90 CD LYS A 7 37.801 -9.658 25.445 1.00 19.99 C ATOM 91 CE LYS A 7 38.417 -9.004 24.221 1.00 24.14 C ATOM 92 NZ LYS A 7 37.604 -9.141 22.996 1.00 26.15 N ATOM 93 HA LYS A 7 34.300 -10.150 27.100 1.00 0.00 H ATOM 94 HB2 LYS A 7 35.660 -10.985 25.169 1.00 0.00 H ATOM 95 HB3 LYS A 7 35.068 -9.602 24.219 1.00 0.00 H ATOM 96 HG2 LYS A 7 36.349 -8.089 25.358 1.00 0.00 H ATOM 97 HG3 LYS A 7 36.326 -9.034 26.865 1.00 0.00 H ATOM 98 HD2 LYS A 7 38.463 -9.501 26.296 1.00 0.00 H ATOM 99 HD3 LYS A 7 37.700 -10.727 25.257 1.00 0.00 H ATOM 100 HE2 LYS A 7 39.390 -9.461 24.040 1.00 0.00 H ATOM 101 HE3 LYS A 7 38.549 -7.942 24.429 1.00 0.00 H ATOM 102 HZ1 LYS A 7 37.478 -10.150 22.776 1.00 0.00 H ATOM 103 HZ2 LYS A 7 36.675 -8.699 23.147 1.00 0.00 H ATOM 104 HZ3 LYS A 7 38.089 -8.670 22.205 1.00 0.00 H ATOM 105 H LYS A 7 33.296 -11.442 24.734 1.00 0.00 H ATOM 106 N PHE A 8 32.651 -8.234 24.945 1.00 12.37 N ATOM 107 CA PHE A 8 31.986 -6.945 24.816 1.00 11.35 C ATOM 108 C PHE A 8 30.998 -6.735 25.982 1.00 10.92 C ATOM 109 O PHE A 8 30.939 -5.661 26.575 1.00 10.85 O ATOM 110 CB PHE A 8 31.249 -6.856 23.469 1.00 10.88 C ATOM 111 CG PHE A 8 30.491 -5.575 23.278 1.00 10.04 C ATOM 112 CD1 PHE A 8 31.122 -4.457 22.733 1.00 10.43 C ATOM 113 CD2 PHE A 8 29.168 -5.464 23.693 1.00 9.09 C ATOM 114 CE1 PHE A 8 30.448 -3.242 22.613 1.00 11.55 C ATOM 115 CE2 PHE A 8 28.478 -4.254 23.581 1.00 9.33 C ATOM 116 CZ PHE A 8 29.126 -3.138 23.038 1.00 10.76 C ATOM 117 HA PHE A 8 32.740 -6.159 24.852 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.983 -6.944 22.668 1.00 0.00 H ATOM 119 HB3 PHE A 8 30.544 -7.685 23.407 1.00 0.00 H ATOM 120 HD2 PHE A 8 28.662 -6.334 24.112 1.00 0.00 H ATOM 121 HE2 PHE A 8 27.443 -4.180 23.914 1.00 0.00 H ATOM 122 HZ PHE A 8 28.597 -2.189 22.948 1.00 0.00 H ATOM 123 HE1 PHE A 8 30.955 -2.376 22.188 1.00 0.00 H ATOM 124 HD1 PHE A 8 32.156 -4.534 22.396 1.00 0.00 H ATOM 125 H PHE A 8 32.540 -8.945 24.194 1.00 0.00 H ATOM 126 N GLU A 9 30.184 -7.745 26.262 1.00 11.64 N ATOM 127 CA GLU A 9 29.231 -7.664 27.346 1.00 13.78 C ATOM 128 C GLU A 9 29.918 -7.416 28.667 1.00 12.52 C ATOM 129 O GLU A 9 29.457 -6.593 29.447 1.00 11.66 O ATOM 130 CB GLU A 9 28.395 -8.930 27.433 1.00 16.97 C ATOM 131 CG GLU A 9 27.386 -8.990 26.325 1.00 24.19 C ATOM 132 CD GLU A 9 26.550 -10.225 26.380 1.00 28.47 C ATOM 133 OE1 GLU A 9 26.030 -10.544 27.484 1.00 29.70 O ATOM 134 OE2 GLU A 9 26.419 -10.862 25.306 1.00 29.85 O ATOM 135 HA GLU A 9 28.574 -6.820 27.134 1.00 0.00 H ATOM 136 HB2 GLU A 9 29.053 -9.796 27.363 1.00 0.00 H ATOM 137 HB3 GLU A 9 27.874 -8.947 28.390 1.00 0.00 H ATOM 138 HG2 GLU A 9 26.732 -8.121 26.400 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.912 -8.966 25.371 1.00 0.00 H ATOM 140 H GLU A 9 30.233 -8.612 25.690 1.00 0.00 H ATOM 141 N ARG A 10 31.022 -8.113 28.897 1.00 12.15 N ATOM 142 CA ARG A 10 31.778 -7.940 30.130 1.00 12.69 C ATOM 143 C ARG A 10 32.391 -6.550 30.237 1.00 11.78 C ATOM 144 O ARG A 10 32.322 -5.902 31.273 1.00 13.10 O ATOM 145 CB ARG A 10 32.890 -8.989 30.233 1.00 12.86 C ATOM 146 CG ARG A 10 33.862 -8.716 31.370 1.00 13.14 C ATOM 147 CD ARG A 10 34.790 -9.864 31.587 1.00 13.59 C ATOM 148 NE ARG A 10 35.696 -10.055 30.469 1.00 14.91 N ATOM 149 CZ ARG A 10 36.846 -9.411 30.323 1.00 16.71 C ATOM 150 NH1 ARG A 10 37.232 -8.522 31.230 1.00 19.30 N ATOM 151 NH2 ARG A 10 37.616 -9.669 29.272 1.00 18.45 N ATOM 152 HA ARG A 10 31.072 -8.067 30.951 1.00 0.00 H ATOM 153 HB2 ARG A 10 32.433 -9.965 30.394 1.00 0.00 H ATOM 154 HB3 ARG A 10 33.446 -8.999 29.295 1.00 0.00 H ATOM 155 HG2 ARG A 10 34.447 -7.828 31.130 1.00 0.00 H ATOM 156 HG3 ARG A 10 33.296 -8.540 32.285 1.00 0.00 H ATOM 157 HD2 ARG A 10 34.201 -10.771 31.721 1.00 0.00 H ATOM 158 HD3 ARG A 10 35.376 -9.677 32.487 1.00 0.00 H ATOM 159 HE ARG A 10 35.426 -10.741 29.735 1.00 0.00 H ATOM 160 HH12 ARG A 10 38.134 -8.018 31.113 1.00 0.00 H ATOM 161 HH11 ARG A 10 36.632 -8.329 32.057 1.00 0.00 H ATOM 162 HH22 ARG A 10 38.519 -9.167 29.153 1.00 0.00 H ATOM 163 HH21 ARG A 10 37.316 -10.373 28.568 1.00 0.00 H ATOM 164 H ARG A 10 31.354 -8.795 28.185 1.00 0.00 H ATOM 165 N GLN A 11 33.024 -6.099 29.170 1.00 11.75 N ATOM 166 CA GLN A 11 33.665 -4.806 29.198 1.00 11.72 C ATOM 167 C GLN A 11 32.766 -3.573 29.056 1.00 12.26 C ATOM 168 O GLN A 11 33.122 -2.503 29.549 1.00 13.04 O ATOM 169 CB GLN A 11 34.741 -4.745 28.118 1.00 13.52 C ATOM 170 CG GLN A 11 35.799 -5.814 28.210 1.00 15.89 C ATOM 171 CD GLN A 11 36.981 -5.504 27.307 1.00 19.96 C ATOM 172 OE1 GLN A 11 38.118 -5.463 27.760 1.00 23.84 O ATOM 173 NE2 GLN A 11 36.713 -5.262 26.035 1.00 19.54 N ATOM 174 HA GLN A 11 34.066 -4.743 30.209 1.00 0.00 H ATOM 175 HB2 GLN A 11 34.252 -4.836 27.148 1.00 0.00 H ATOM 176 HB3 GLN A 11 35.234 -3.775 28.186 1.00 0.00 H ATOM 177 HG2 GLN A 11 36.148 -5.880 29.241 1.00 0.00 H ATOM 178 HG3 GLN A 11 35.366 -6.769 27.912 1.00 0.00 H ATOM 179 HE22 GLN A 11 35.732 -5.308 25.692 1.00 0.00 H ATOM 180 HE21 GLN A 11 37.483 -5.026 25.377 1.00 0.00 H ATOM 181 H GLN A 11 33.061 -6.677 28.306 1.00 0.00 H ATOM 182 N HIS A 12 31.595 -3.715 28.430 1.00 10.46 N ATOM 183 CA HIS A 12 30.771 -2.540 28.158 1.00 9.47 C ATOM 184 C HIS A 12 29.312 -2.533 28.515 1.00 8.61 C ATOM 185 O HIS A 12 28.674 -1.505 28.386 1.00 11.13 O ATOM 186 CB HIS A 12 30.890 -2.176 26.674 1.00 8.97 C ATOM 187 CG HIS A 12 32.304 -1.999 26.204 1.00 9.75 C ATOM 188 ND1 HIS A 12 33.077 -0.915 26.555 1.00 9.30 N ATOM 189 CD2 HIS A 12 33.086 -2.777 25.415 1.00 10.12 C ATOM 190 CE1 HIS A 12 34.274 -1.029 26.005 1.00 9.99 C ATOM 191 NE2 HIS A 12 34.303 -2.152 25.309 1.00 10.56 N ATOM 192 HA HIS A 12 31.194 -1.818 28.857 1.00 0.00 H ATOM 193 HB2 HIS A 12 30.430 -2.971 26.087 1.00 0.00 H ATOM 194 HB3 HIS A 12 30.352 -1.243 26.505 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.801 -3.722 24.952 1.00 0.00 H ATOM 196 HE1 HIS A 12 35.095 -0.319 26.108 1.00 0.00 H ATOM 197 H HIS A 12 31.271 -4.659 28.137 1.00 0.00 H ATOM 198 N MET A 13 28.761 -3.657 28.930 1.00 9.04 N ATOM 199 CA MET A 13 27.348 -3.684 29.255 1.00 11.95 C ATOM 200 C MET A 13 27.069 -3.620 30.755 1.00 12.28 C ATOM 201 O MET A 13 27.686 -4.348 31.521 1.00 13.62 O ATOM 202 CB MET A 13 26.698 -4.951 28.699 1.00 11.26 C ATOM 203 CG MET A 13 26.610 -5.014 27.180 1.00 13.92 C ATOM 204 SD MET A 13 25.619 -3.676 26.503 1.00 15.55 S ATOM 205 CE MET A 13 24.033 -3.935 27.329 1.00 15.03 C ATOM 206 HA MET A 13 26.922 -2.791 28.797 1.00 0.00 H ATOM 207 HB2 MET A 13 27.279 -5.808 29.040 1.00 0.00 H ATOM 208 HB3 MET A 13 25.687 -5.017 29.100 1.00 0.00 H ATOM 209 HG2 MET A 13 26.160 -5.965 26.893 1.00 0.00 H ATOM 210 HG3 MET A 13 27.617 -4.950 26.767 1.00 0.00 H ATOM 211 HE1 MET A 13 23.650 -4.923 27.075 1.00 0.00 H ATOM 212 HE2 MET A 13 24.171 -3.863 28.408 1.00 0.00 H ATOM 213 HE3 MET A 13 23.325 -3.174 27.000 1.00 0.00 H ATOM 214 H MET A 13 29.336 -4.518 29.024 1.00 0.00 H ATOM 215 N ASP A 14 26.199 -2.698 31.150 1.00 12.64 N ATOM 216 CA ASP A 14 25.741 -2.574 32.536 1.00 14.16 C ATOM 217 C ASP A 14 24.285 -2.124 32.544 1.00 13.80 C ATOM 218 O ASP A 14 23.964 -0.959 32.811 1.00 13.17 O ATOM 219 CB ASP A 14 26.575 -1.629 33.398 1.00 15.02 C ATOM 220 CG ASP A 14 26.084 -1.606 34.854 1.00 17.14 C ATOM 221 OD1 ASP A 14 25.510 -2.626 35.300 1.00 18.89 O ATOM 222 OD2 ASP A 14 26.226 -0.568 35.526 1.00 19.76 O ATOM 223 HA ASP A 14 25.856 -3.561 32.984 1.00 0.00 H ATOM 224 HB2 ASP A 14 27.614 -1.958 33.380 1.00 0.00 H ATOM 225 HB3 ASP A 14 26.507 -0.622 32.986 1.00 0.00 H ATOM 226 H ASP A 14 25.825 -2.033 30.443 1.00 0.00 H ATOM 227 N SER A 15 23.409 -3.081 32.294 1.00 16.83 N ATOM 228 CA SER A 15 21.981 -2.830 32.246 1.00 22.55 C ATOM 229 C SER A 15 21.311 -2.683 33.616 1.00 26.64 C ATOM 230 O SER A 15 20.189 -2.175 33.695 1.00 28.06 O ATOM 231 CB SER A 15 21.302 -3.946 31.456 1.00 23.50 C ATOM 232 OG SER A 15 22.014 -4.222 30.260 1.00 25.10 O ATOM 233 HA SER A 15 21.859 -1.864 31.756 1.00 0.00 H ATOM 234 HB2 SER A 15 20.286 -3.640 31.205 1.00 0.00 H ATOM 235 HB3 SER A 15 21.268 -4.847 32.068 1.00 0.00 H ATOM 236 HG SER A 15 22.044 -3.406 29.700 1.00 0.00 H ATOM 237 H SER A 15 23.755 -4.047 32.126 1.00 0.00 H ATOM 238 N SER A 16 21.975 -3.127 34.684 1.00 29.89 N ATOM 239 CA SER A 16 21.398 -3.020 36.033 1.00 35.25 C ATOM 240 C SER A 16 21.114 -1.578 36.483 1.00 38.17 C ATOM 241 O SER A 16 20.133 -1.325 37.190 1.00 40.22 O ATOM 242 CB SER A 16 22.289 -3.713 37.067 1.00 34.24 C ATOM 243 OG SER A 16 22.510 -5.071 36.718 1.00 37.22 O ATOM 244 HA SER A 16 20.434 -3.524 35.970 1.00 0.00 H ATOM 245 HB2 SER A 16 21.804 -3.669 38.042 1.00 0.00 H ATOM 246 HB3 SER A 16 23.248 -3.196 37.116 1.00 0.00 H ATOM 247 HG SER A 16 23.088 -5.496 37.401 1.00 0.00 H ATOM 248 H SER A 16 22.915 -3.555 34.561 1.00 0.00 H ATOM 249 N THR A 17 21.997 -0.650 36.122 1.00 40.37 N ATOM 250 CA THR A 17 21.822 0.755 36.475 1.00 42.20 C ATOM 251 C THR A 17 21.551 1.542 35.196 1.00 43.93 C ATOM 252 O THR A 17 22.151 1.276 34.153 1.00 43.16 O ATOM 253 CB THR A 17 23.082 1.352 37.181 1.00 42.43 C ATOM 254 OG1 THR A 17 24.209 1.323 36.291 1.00 39.80 O ATOM 255 CG2 THR A 17 23.414 0.565 38.454 1.00 42.38 C ATOM 256 HA THR A 17 20.989 0.827 37.174 1.00 0.00 H ATOM 257 HB THR A 17 22.862 2.384 37.453 1.00 0.00 H ATOM 258 HG1 THR A 17 24.397 0.387 36.028 1.00 0.00 H ATOM 259 HG23 THR A 17 22.558 0.588 39.128 1.00 0.00 H ATOM 260 HG21 THR A 17 23.644 -0.468 38.192 1.00 0.00 H ATOM 261 HG22 THR A 17 24.276 1.017 38.944 1.00 0.00 H ATOM 262 H THR A 17 22.834 -0.934 35.574 1.00 0.00 H ATOM 263 N SER A 18 20.647 2.511 35.281 1.00 46.51 N ATOM 264 CA SER A 18 20.299 3.339 34.130 1.00 47.94 C ATOM 265 C SER A 18 21.186 4.581 33.968 1.00 47.81 C ATOM 266 O SER A 18 20.982 5.377 33.054 1.00 47.57 O ATOM 267 CB SER A 18 18.822 3.735 34.205 1.00 48.81 C ATOM 268 OG SER A 18 18.434 4.003 35.546 1.00 51.01 O ATOM 269 HA SER A 18 20.479 2.732 33.243 1.00 0.00 H ATOM 270 HB2 SER A 18 18.214 2.920 33.814 1.00 0.00 H ATOM 271 HB3 SER A 18 18.661 4.628 33.602 1.00 0.00 H ATOM 272 HG SER A 18 17.477 4.256 35.567 1.00 0.00 H ATOM 273 H SER A 18 20.175 2.685 36.191 1.00 0.00 H ATOM 274 N ALA A 19 22.160 4.738 34.861 1.00 47.85 N ATOM 275 CA ALA A 19 23.093 5.861 34.827 1.00 48.49 C ATOM 276 C ALA A 19 24.243 5.580 35.797 1.00 49.47 C ATOM 277 O ALA A 19 24.257 4.546 36.477 1.00 50.49 O ATOM 278 CB ALA A 19 22.382 7.160 35.197 1.00 47.96 C ATOM 279 HA ALA A 19 23.489 5.975 33.818 1.00 0.00 H ATOM 280 HB1 ALA A 19 21.577 7.347 34.487 1.00 0.00 H ATOM 281 HB2 ALA A 19 21.969 7.073 36.202 1.00 0.00 H ATOM 282 HB3 ALA A 19 23.094 7.984 35.166 1.00 0.00 H ATOM 283 H ALA A 19 22.261 4.030 35.616 1.00 0.00 H ATOM 284 N ALA A 20 25.226 6.472 35.827 1.00 49.31 N ATOM 285 CA ALA A 20 26.365 6.309 36.714 1.00 49.57 C ATOM 286 C ALA A 20 25.834 6.512 38.114 1.00 49.70 C ATOM 287 O ALA A 20 25.544 7.632 38.519 1.00 49.62 O ATOM 288 CB ALA A 20 27.427 7.333 36.403 1.00 50.32 C ATOM 289 HA ALA A 20 26.822 5.327 36.598 1.00 0.00 H ATOM 290 HB1 ALA A 20 27.759 7.208 35.372 1.00 0.00 H ATOM 291 HB2 ALA A 20 27.015 8.333 36.535 1.00 0.00 H ATOM 292 HB3 ALA A 20 28.272 7.195 37.078 1.00 0.00 H ATOM 293 H ALA A 20 25.180 7.303 35.204 1.00 0.00 H ATOM 294 N SER A 21 25.710 5.413 38.844 1.00 50.53 N ATOM 295 CA SER A 21 25.180 5.415 40.209 1.00 51.01 C ATOM 296 C SER A 21 25.855 6.347 41.227 1.00 49.08 C ATOM 297 O SER A 21 25.177 6.954 42.080 1.00 50.05 O ATOM 298 CB SER A 21 25.162 3.978 40.748 1.00 51.75 C ATOM 299 OG SER A 21 26.440 3.364 40.617 1.00 54.34 O ATOM 300 HA SER A 21 24.179 5.835 40.106 1.00 0.00 H ATOM 301 HB2 SER A 21 24.429 3.397 40.189 1.00 0.00 H ATOM 302 HB3 SER A 21 24.882 3.996 41.801 1.00 0.00 H ATOM 303 HG SER A 21 26.399 2.441 40.972 1.00 0.00 H ATOM 304 H SER A 21 26.003 4.506 38.428 1.00 0.00 H ATOM 305 N SER A 22 27.176 6.467 41.140 1.00 45.31 N ATOM 306 CA SER A 22 27.906 7.295 42.087 1.00 41.94 C ATOM 307 C SER A 22 29.269 7.709 41.576 1.00 38.45 C ATOM 308 O SER A 22 29.763 7.192 40.572 1.00 36.63 O ATOM 309 CB SER A 22 28.085 6.538 43.420 1.00 43.96 C ATOM 310 OG SER A 22 28.897 5.369 43.277 1.00 44.37 O ATOM 311 HA SER A 22 27.314 8.199 42.231 1.00 0.00 H ATOM 312 HB2 SER A 22 27.103 6.240 43.789 1.00 0.00 H ATOM 313 HB3 SER A 22 28.556 7.206 44.142 1.00 0.00 H ATOM 314 HG SER A 22 28.983 4.919 44.155 1.00 0.00 H ATOM 315 H SER A 22 27.691 5.965 40.389 1.00 0.00 H ATOM 316 N SER A 23 29.884 8.629 42.307 1.00 34.98 N ATOM 317 CA SER A 23 31.214 9.119 41.997 1.00 30.96 C ATOM 318 C SER A 23 32.202 7.952 42.009 1.00 29.14 C ATOM 319 O SER A 23 33.269 8.038 41.402 1.00 30.47 O ATOM 320 CB SER A 23 31.632 10.145 43.053 1.00 30.55 C ATOM 321 OG SER A 23 31.404 9.635 44.367 1.00 25.47 O ATOM 322 HA SER A 23 31.211 9.585 41.011 1.00 0.00 H ATOM 323 HB2 SER A 23 31.051 11.057 42.917 1.00 0.00 H ATOM 324 HB3 SER A 23 32.692 10.370 42.935 1.00 0.00 H ATOM 325 HG SER A 23 31.680 10.312 45.035 1.00 0.00 H ATOM 326 H SER A 23 29.392 9.016 43.138 1.00 0.00 H ATOM 327 N ASN A 24 31.856 6.868 42.701 1.00 28.11 N ATOM 328 CA ASN A 24 32.744 5.713 42.771 1.00 28.36 C ATOM 329 C ASN A 24 32.366 4.540 41.876 1.00 25.71 C ATOM 330 O ASN A 24 32.932 3.452 41.987 1.00 23.68 O ATOM 331 CB ASN A 24 32.936 5.240 44.208 1.00 32.20 C ATOM 332 CG ASN A 24 34.413 5.107 44.570 1.00 37.00 C ATOM 333 OD1 ASN A 24 34.994 4.015 44.516 1.00 39.85 O ATOM 334 ND2 ASN A 24 35.046 6.237 44.888 1.00 38.03 N ATOM 335 HA ASN A 24 33.689 6.086 42.375 1.00 0.00 H ATOM 336 HB2 ASN A 24 32.471 5.960 44.882 1.00 0.00 H ATOM 337 HB3 ASN A 24 32.455 4.269 44.327 1.00 0.00 H ATOM 338 HD22 ASN A 24 34.522 7.135 44.923 1.00 0.00 H ATOM 339 HD21 ASN A 24 36.064 6.221 45.101 1.00 0.00 H ATOM 340 H ASN A 24 30.942 6.845 43.197 1.00 0.00 H ATOM 341 N TYR A 25 31.433 4.784 40.965 1.00 22.81 N ATOM 342 CA TYR A 25 30.992 3.772 40.025 1.00 19.92 C ATOM 343 C TYR A 25 32.162 3.191 39.224 1.00 16.11 C ATOM 344 O TYR A 25 32.386 1.988 39.262 1.00 17.70 O ATOM 345 CB TYR A 25 29.953 4.370 39.070 1.00 22.79 C ATOM 346 CG TYR A 25 29.517 3.448 37.954 1.00 21.07 C ATOM 347 CD1 TYR A 25 28.470 2.548 38.135 1.00 19.75 C ATOM 348 CD2 TYR A 25 30.146 3.495 36.703 1.00 21.89 C ATOM 349 CE1 TYR A 25 28.055 1.719 37.096 1.00 22.48 C ATOM 350 CE2 TYR A 25 29.741 2.668 35.657 1.00 20.90 C ATOM 351 CZ TYR A 25 28.699 1.788 35.858 1.00 21.42 C ATOM 352 OH TYR A 25 28.293 0.983 34.821 1.00 19.01 O ATOM 353 HA TYR A 25 30.545 2.958 40.596 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.380 5.268 38.622 1.00 0.00 H ATOM 355 HB2 TYR A 25 29.072 4.640 39.652 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.969 4.192 36.545 1.00 0.00 H ATOM 357 HE2 TYR A 25 30.243 2.716 34.690 1.00 0.00 H ATOM 358 HE1 TYR A 25 27.232 1.020 37.248 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.969 2.492 39.102 1.00 0.00 H ATOM 360 HH TYR A 25 27.542 0.413 35.122 1.00 0.00 H ATOM 361 H TYR A 25 31.005 5.731 40.924 1.00 0.00 H ATOM 362 N CYS A 26 32.926 4.028 38.535 1.00 15.03 N ATOM 363 CA CYS A 26 34.041 3.532 37.729 1.00 14.16 C ATOM 364 C CYS A 26 35.091 2.755 38.522 1.00 16.37 C ATOM 365 O CYS A 26 35.545 1.692 38.101 1.00 15.07 O ATOM 366 CB CYS A 26 34.664 4.659 36.918 1.00 12.87 C ATOM 367 SG CYS A 26 33.575 5.251 35.582 1.00 16.40 S ATOM 368 HA CYS A 26 33.614 2.801 37.042 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.593 4.299 36.477 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.880 5.492 37.587 1.00 0.00 H ATOM 371 H CYS A 26 32.730 5.049 38.568 1.00 0.00 H ATOM 372 N ASN A 27 35.458 3.255 39.688 1.00 17.47 N ATOM 373 CA ASN A 27 36.420 2.543 40.511 1.00 19.37 C ATOM 374 C ASN A 27 35.947 1.125 40.774 1.00 20.12 C ATOM 375 O ASN A 27 36.723 0.177 40.661 1.00 20.25 O ATOM 376 CB ASN A 27 36.606 3.248 41.845 1.00 20.05 C ATOM 377 CG ASN A 27 37.415 4.482 41.724 1.00 19.32 C ATOM 378 OD1 ASN A 27 38.233 4.609 40.830 1.00 21.23 O ATOM 379 ND2 ASN A 27 37.197 5.416 42.628 1.00 23.84 N ATOM 380 HA ASN A 27 37.367 2.521 39.972 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.625 3.510 42.243 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.106 2.567 42.534 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.488 5.263 43.373 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.734 6.306 42.596 1.00 0.00 H ATOM 385 H ASN A 27 35.059 4.157 40.016 1.00 0.00 H ATOM 386 N GLN A 28 34.674 0.979 41.134 1.00 20.92 N ATOM 387 CA GLN A 28 34.109 -0.339 41.419 1.00 21.26 C ATOM 388 C GLN A 28 33.990 -1.213 40.171 1.00 18.93 C ATOM 389 O GLN A 28 34.488 -2.341 40.157 1.00 17.44 O ATOM 390 CB GLN A 28 32.743 -0.207 42.110 1.00 24.20 C ATOM 391 CG GLN A 28 32.782 0.605 43.414 1.00 32.34 C ATOM 392 CD GLN A 28 31.405 0.820 44.060 1.00 35.95 C ATOM 393 OE1 GLN A 28 31.307 1.094 45.260 1.00 38.05 O ATOM 394 NE2 GLN A 28 30.344 0.713 43.264 1.00 37.99 N ATOM 395 HA GLN A 28 34.805 -0.838 42.093 1.00 0.00 H ATOM 396 HB2 GLN A 28 32.055 0.283 41.421 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.376 -1.207 42.339 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.416 0.078 44.127 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.215 1.582 43.197 1.00 0.00 H ATOM 400 HE22 GLN A 28 30.470 0.480 42.258 1.00 0.00 H ATOM 401 HE21 GLN A 28 29.389 0.862 43.648 1.00 0.00 H ATOM 402 H GLN A 28 34.068 1.821 41.214 1.00 0.00 H ATOM 403 N MET A 29 33.366 -0.667 39.127 1.00 17.48 N ATOM 404 CA MET A 29 33.146 -1.381 37.856 1.00 17.82 C ATOM 405 C MET A 29 34.389 -1.819 37.071 1.00 16.68 C ATOM 406 O MET A 29 34.437 -2.935 36.578 1.00 15.58 O ATOM 407 CB MET A 29 32.207 -0.587 36.939 1.00 16.92 C ATOM 408 CG MET A 29 30.772 -0.525 37.430 1.00 19.79 C ATOM 409 SD MET A 29 29.941 -2.131 37.495 1.00 25.17 S ATOM 410 CE MET A 29 29.709 -2.429 35.714 1.00 23.28 C ATOM 411 HA MET A 29 32.692 -2.318 38.180 1.00 0.00 H ATOM 412 HB2 MET A 29 32.586 0.432 36.859 1.00 0.00 H ATOM 413 HB3 MET A 29 32.213 -1.054 35.954 1.00 0.00 H ATOM 414 HG2 MET A 29 30.209 0.125 36.760 1.00 0.00 H ATOM 415 HG3 MET A 29 30.772 -0.099 38.433 1.00 0.00 H ATOM 416 HE1 MET A 29 29.102 -1.630 35.289 1.00 0.00 H ATOM 417 HE2 MET A 29 30.681 -2.450 35.221 1.00 0.00 H ATOM 418 HE3 MET A 29 29.206 -3.385 35.569 1.00 0.00 H ATOM 419 H MET A 29 33.018 0.309 39.213 1.00 0.00 H ATOM 420 N MET A 30 35.373 -0.940 36.925 1.00 17.79 N ATOM 421 CA MET A 30 36.594 -1.292 36.202 1.00 18.37 C ATOM 422 C MET A 30 37.262 -2.485 36.868 1.00 19.51 C ATOM 423 O MET A 30 37.821 -3.345 36.207 1.00 17.62 O ATOM 424 CB MET A 30 37.571 -0.114 36.174 1.00 17.28 C ATOM 425 CG MET A 30 37.076 1.067 35.371 1.00 18.08 C ATOM 426 SD MET A 30 36.731 0.657 33.640 1.00 16.93 S ATOM 427 CE MET A 30 38.428 0.633 32.968 1.00 16.63 C ATOM 428 HA MET A 30 36.322 -1.545 35.177 1.00 0.00 H ATOM 429 HB2 MET A 30 37.744 0.214 37.199 1.00 0.00 H ATOM 430 HB3 MET A 30 38.511 -0.456 35.740 1.00 0.00 H ATOM 431 HG2 MET A 30 37.836 1.848 35.398 1.00 0.00 H ATOM 432 HG3 MET A 30 36.159 1.438 35.829 1.00 0.00 H ATOM 433 HE1 MET A 30 38.886 1.612 33.107 1.00 0.00 H ATOM 434 HE2 MET A 30 39.014 -0.122 33.492 1.00 0.00 H ATOM 435 HE3 MET A 30 38.393 0.394 31.905 1.00 0.00 H ATOM 436 H MET A 30 35.274 0.012 37.331 1.00 0.00 H ATOM 437 N LYS A 31 37.191 -2.531 38.189 1.00 20.71 N ATOM 438 CA LYS A 31 37.793 -3.624 38.928 1.00 22.28 C ATOM 439 C LYS A 31 36.973 -4.917 38.814 1.00 20.85 C ATOM 440 O LYS A 31 37.511 -5.965 38.433 1.00 21.46 O ATOM 441 CB LYS A 31 37.981 -3.218 40.399 1.00 23.71 C ATOM 442 CG LYS A 31 38.854 -4.164 41.215 1.00 27.41 C ATOM 443 CD LYS A 31 38.816 -3.802 42.694 1.00 31.76 C ATOM 444 CE LYS A 31 39.597 -4.802 43.531 1.00 34.90 C ATOM 445 NZ LYS A 31 39.480 -4.541 45.004 1.00 38.42 N ATOM 446 HA LYS A 31 38.769 -3.831 38.488 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.438 -2.229 40.423 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.998 -3.174 40.868 1.00 0.00 H ATOM 449 HG2 LYS A 31 38.491 -5.184 41.088 1.00 0.00 H ATOM 450 HG3 LYS A 31 39.882 -4.099 40.858 1.00 0.00 H ATOM 451 HD2 LYS A 31 39.250 -2.811 42.828 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.779 -3.791 43.030 1.00 0.00 H ATOM 453 HE2 LYS A 31 40.649 -4.747 43.249 1.00 0.00 H ATOM 454 HE3 LYS A 31 39.218 -5.803 43.323 1.00 0.00 H ATOM 455 HZ1 LYS A 31 39.847 -3.591 45.217 1.00 0.00 H ATOM 456 HZ2 LYS A 31 38.481 -4.599 45.287 1.00 0.00 H ATOM 457 HZ3 LYS A 31 40.031 -5.252 45.526 1.00 0.00 H ATOM 458 H LYS A 31 36.697 -1.774 38.703 1.00 0.00 H ATOM 459 N SER A 32 35.666 -4.833 39.062 1.00 20.12 N ATOM 460 CA SER A 32 34.817 -6.021 39.021 1.00 19.51 C ATOM 461 C SER A 32 34.660 -6.681 37.662 1.00 20.23 C ATOM 462 O SER A 32 34.297 -7.863 37.593 1.00 21.21 O ATOM 463 CB SER A 32 33.443 -5.757 39.637 1.00 20.20 C ATOM 464 OG SER A 32 32.685 -4.822 38.897 1.00 21.83 O ATOM 465 HA SER A 32 35.367 -6.741 39.627 1.00 0.00 H ATOM 466 HB2 SER A 32 33.581 -5.373 40.648 1.00 0.00 H ATOM 467 HB3 SER A 32 32.893 -6.697 39.679 1.00 0.00 H ATOM 468 HG SER A 32 31.808 -4.688 39.337 1.00 0.00 H ATOM 469 H SER A 32 35.245 -3.909 39.288 1.00 0.00 H ATOM 470 N ARG A 33 34.878 -5.921 36.587 1.00 18.35 N ATOM 471 CA ARG A 33 34.780 -6.478 35.235 1.00 18.48 C ATOM 472 C ARG A 33 36.158 -6.914 34.740 1.00 18.97 C ATOM 473 O ARG A 33 36.345 -7.173 33.556 1.00 17.66 O ATOM 474 CB ARG A 33 34.132 -5.482 34.253 1.00 17.10 C ATOM 475 CG ARG A 33 32.690 -5.111 34.596 1.00 14.81 C ATOM 476 CD ARG A 33 31.796 -6.346 34.685 1.00 13.15 C ATOM 477 NE ARG A 33 30.392 -5.988 34.879 1.00 13.95 N ATOM 478 CZ ARG A 33 29.567 -5.609 33.900 1.00 15.09 C ATOM 479 NH1 ARG A 33 29.990 -5.532 32.636 1.00 13.19 N ATOM 480 NH2 ARG A 33 28.306 -5.316 34.178 1.00 14.01 N ATOM 481 HA ARG A 33 34.132 -7.353 35.280 1.00 0.00 H ATOM 482 HB2 ARG A 33 34.728 -4.569 34.249 1.00 0.00 H ATOM 483 HB3 ARG A 33 34.143 -5.927 33.258 1.00 0.00 H ATOM 484 HG2 ARG A 33 32.676 -4.595 35.556 1.00 0.00 H ATOM 485 HG3 ARG A 33 32.302 -4.448 33.823 1.00 0.00 H ATOM 486 HD2 ARG A 33 32.123 -6.959 35.525 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.890 -6.917 33.761 1.00 0.00 H ATOM 488 HE ARG A 33 30.010 -6.031 35.845 1.00 0.00 H ATOM 489 HH12 ARG A 33 29.334 -5.235 31.885 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.975 -5.769 32.402 1.00 0.00 H ATOM 491 HH22 ARG A 33 27.661 -5.020 33.418 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.961 -5.381 35.157 1.00 0.00 H ATOM 493 H ARG A 33 35.121 -4.917 36.711 1.00 0.00 H ATOM 494 N ASN A 34 37.121 -6.983 35.662 1.00 20.64 N ATOM 495 CA ASN A 34 38.481 -7.417 35.354 1.00 22.82 C ATOM 496 C ASN A 34 39.192 -6.534 34.339 1.00 24.39 C ATOM 497 O ASN A 34 39.986 -7.025 33.528 1.00 24.56 O ATOM 498 CB ASN A 34 38.477 -8.858 34.829 1.00 28.55 C ATOM 499 CG ASN A 34 38.021 -9.866 35.869 1.00 33.13 C ATOM 500 OD1 ASN A 34 38.707 -10.097 36.872 1.00 37.30 O ATOM 501 ND2 ASN A 34 36.867 -10.494 35.625 1.00 36.11 N ATOM 502 HA ASN A 34 39.030 -7.344 36.293 1.00 0.00 H ATOM 503 HB2 ASN A 34 37.805 -8.914 33.972 1.00 0.00 H ATOM 504 HB3 ASN A 34 39.488 -9.116 34.514 1.00 0.00 H ATOM 505 HD22 ASN A 34 36.323 -10.268 34.768 1.00 0.00 H ATOM 506 HD21 ASN A 34 36.513 -11.209 36.292 1.00 0.00 H ATOM 507 H ASN A 34 36.893 -6.716 36.641 1.00 0.00 H ATOM 508 N LEU A 35 38.934 -5.232 34.386 1.00 23.64 N ATOM 509 CA LEU A 35 39.564 -4.319 33.447 1.00 23.80 C ATOM 510 C LEU A 35 40.841 -3.673 34.020 1.00 26.23 C ATOM 511 O LEU A 35 41.525 -2.925 33.326 1.00 27.00 O ATOM 512 CB LEU A 35 38.543 -3.276 32.959 1.00 22.77 C ATOM 513 CG LEU A 35 37.267 -3.896 32.359 1.00 21.90 C ATOM 514 CD1 LEU A 35 36.235 -2.855 32.005 1.00 20.97 C ATOM 515 CD2 LEU A 35 37.632 -4.690 31.128 1.00 23.93 C ATOM 516 HA LEU A 35 39.895 -4.896 32.584 1.00 0.00 H ATOM 517 HB2 LEU A 35 38.258 -2.651 33.805 1.00 0.00 H ATOM 518 HB3 LEU A 35 39.018 -2.659 32.196 1.00 0.00 H ATOM 519 HG LEU A 35 36.825 -4.545 33.115 1.00 0.00 H ATOM 520 HD21 LEU A 35 38.098 -4.030 30.396 1.00 0.00 H ATOM 521 HD22 LEU A 35 38.330 -5.481 31.401 1.00 0.00 H ATOM 522 HD23 LEU A 35 36.731 -5.130 30.701 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.953 -2.305 32.903 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.653 -2.166 31.271 1.00 0.00 H ATOM 525 HD13 LEU A 35 35.356 -3.345 31.586 1.00 0.00 H ATOM 526 H LEU A 35 38.275 -4.863 35.101 1.00 0.00 H ATOM 527 N THR A 36 41.180 -3.997 35.269 1.00 27.34 N ATOM 528 CA THR A 36 42.387 -3.458 35.911 1.00 30.05 C ATOM 529 C THR A 36 43.376 -4.584 36.278 1.00 33.38 C ATOM 530 O THR A 36 44.303 -4.390 37.072 1.00 34.54 O ATOM 531 CB THR A 36 42.026 -2.667 37.194 1.00 27.61 C ATOM 532 OG1 THR A 36 41.408 -3.547 38.147 1.00 26.83 O ATOM 533 CG2 THR A 36 41.073 -1.528 36.867 1.00 26.77 C ATOM 534 HA THR A 36 42.859 -2.788 35.192 1.00 0.00 H ATOM 535 HB THR A 36 42.941 -2.252 37.616 1.00 0.00 H ATOM 536 HG1 THR A 36 41.179 -3.038 38.965 1.00 0.00 H ATOM 537 HG23 THR A 36 41.541 -0.860 36.144 1.00 0.00 H ATOM 538 HG21 THR A 36 40.154 -1.935 36.445 1.00 0.00 H ATOM 539 HG22 THR A 36 40.843 -0.976 37.778 1.00 0.00 H ATOM 540 H THR A 36 40.572 -4.650 35.804 1.00 0.00 H ATOM 541 N LYS A 37 43.160 -5.759 35.690 1.00 36.42 N ATOM 542 CA LYS A 37 43.969 -6.957 35.932 1.00 39.34 C ATOM 543 C LYS A 37 45.437 -6.828 35.550 1.00 39.63 C ATOM 544 O LYS A 37 46.332 -6.907 36.384 1.00 41.48 O ATOM 545 CB LYS A 37 43.371 -8.142 35.155 1.00 42.50 C ATOM 546 CG LYS A 37 42.621 -9.160 35.993 1.00 46.68 C ATOM 547 CD LYS A 37 43.584 -10.009 36.808 1.00 51.06 C ATOM 548 CE LYS A 37 42.846 -10.934 37.766 1.00 54.21 C ATOM 549 NZ LYS A 37 43.809 -11.734 38.581 1.00 57.57 N ATOM 550 HA LYS A 37 43.941 -7.111 37.011 1.00 0.00 H ATOM 551 HB2 LYS A 37 42.680 -7.743 34.413 1.00 0.00 H ATOM 552 HB3 LYS A 37 44.187 -8.658 34.649 1.00 0.00 H ATOM 553 HG2 LYS A 37 41.946 -8.637 36.670 1.00 0.00 H ATOM 554 HG3 LYS A 37 42.043 -9.808 35.334 1.00 0.00 H ATOM 555 HD2 LYS A 37 44.186 -10.612 36.128 1.00 0.00 H ATOM 556 HD3 LYS A 37 44.236 -9.351 37.383 1.00 0.00 H ATOM 557 HE2 LYS A 37 42.214 -11.612 37.192 1.00 0.00 H ATOM 558 HE3 LYS A 37 42.224 -10.336 38.432 1.00 0.00 H ATOM 559 HZ1 LYS A 37 44.402 -12.309 37.949 1.00 0.00 H ATOM 560 HZ2 LYS A 37 44.412 -11.091 39.133 1.00 0.00 H ATOM 561 HZ3 LYS A 37 43.282 -12.357 39.226 1.00 0.00 H ATOM 562 H LYS A 37 42.369 -5.831 35.018 1.00 0.00 H ATOM 563 N ASP A 38 45.661 -6.677 34.260 1.00 39.23 N ATOM 564 CA ASP A 38 46.990 -6.575 33.685 1.00 39.96 C ATOM 565 C ASP A 38 47.604 -5.178 33.780 1.00 37.48 C ATOM 566 O ASP A 38 48.825 -5.010 33.758 1.00 36.98 O ATOM 567 CB ASP A 38 46.904 -7.010 32.218 1.00 44.29 C ATOM 568 CG ASP A 38 45.688 -6.412 31.497 1.00 47.17 C ATOM 569 OD1 ASP A 38 44.549 -6.859 31.783 1.00 48.22 O ATOM 570 OD2 ASP A 38 45.874 -5.497 30.655 1.00 49.29 O ATOM 571 HA ASP A 38 47.650 -7.223 34.262 1.00 0.00 H ATOM 572 HB2 ASP A 38 47.809 -6.687 31.704 1.00 0.00 H ATOM 573 HB3 ASP A 38 46.834 -8.097 32.179 1.00 0.00 H ATOM 574 H ASP A 38 44.842 -6.628 33.620 1.00 0.00 H ATOM 575 N ARG A 39 46.744 -4.176 33.829 1.00 34.21 N ATOM 576 CA ARG A 39 47.173 -2.795 33.902 1.00 32.48 C ATOM 577 C ARG A 39 45.893 -2.018 34.070 1.00 29.81 C ATOM 578 O ARG A 39 44.807 -2.589 33.990 1.00 30.07 O ATOM 579 CB ARG A 39 47.832 -2.371 32.590 1.00 36.15 C ATOM 580 CG ARG A 39 46.854 -2.234 31.422 1.00 39.67 C ATOM 581 CD ARG A 39 47.514 -1.617 30.202 1.00 43.28 C ATOM 582 NE ARG A 39 46.529 -0.965 29.340 1.00 47.18 N ATOM 583 CZ ARG A 39 46.359 -1.224 28.046 1.00 48.48 C ATOM 584 NH1 ARG A 39 47.109 -2.130 27.427 1.00 50.81 N ATOM 585 NH2 ARG A 39 45.418 -0.588 27.366 1.00 49.77 N ATOM 586 HA ARG A 39 47.892 -2.633 34.705 1.00 0.00 H ATOM 587 HB2 ARG A 39 48.319 -1.408 32.745 1.00 0.00 H ATOM 588 HB3 ARG A 39 48.581 -3.117 32.325 1.00 0.00 H ATOM 589 HG2 ARG A 39 46.479 -3.223 31.158 1.00 0.00 H ATOM 590 HG3 ARG A 39 46.022 -1.601 31.731 1.00 0.00 H ATOM 591 HD2 ARG A 39 48.019 -2.400 29.636 1.00 0.00 H ATOM 592 HD3 ARG A 39 48.245 -0.878 30.529 1.00 0.00 H ATOM 593 HE ARG A 39 45.915 -0.245 29.771 1.00 0.00 H ATOM 594 HH12 ARG A 39 46.964 -2.321 26.415 1.00 0.00 H ATOM 595 HH11 ARG A 39 47.841 -2.648 27.955 1.00 0.00 H ATOM 596 HH22 ARG A 39 45.282 -0.788 26.354 1.00 0.00 H ATOM 597 HH21 ARG A 39 44.814 0.112 27.843 1.00 0.00 H ATOM 598 H ARG A 39 45.726 -4.386 33.815 1.00 0.00 H ATOM 599 N CYS A 40 46.003 -0.723 34.303 1.00 26.18 N ATOM 600 CA CYS A 40 44.800 0.069 34.438 1.00 24.10 C ATOM 601 C CYS A 40 44.338 0.469 33.034 1.00 23.68 C ATOM 602 O CYS A 40 45.008 1.267 32.373 1.00 23.84 O ATOM 603 CB CYS A 40 45.067 1.331 35.253 1.00 23.00 C ATOM 604 SG CYS A 40 45.851 1.100 36.881 1.00 23.39 S ATOM 605 HA CYS A 40 44.038 -0.516 34.953 1.00 0.00 H ATOM 606 HB2 CYS A 40 44.111 1.830 35.414 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.717 1.976 34.661 1.00 0.00 H ATOM 608 H CYS A 40 46.940 -0.279 34.388 1.00 0.00 H ATOM 609 N LYS A 41 43.258 -0.130 32.538 1.00 22.58 N ATOM 610 CA LYS A 41 42.761 0.268 31.225 1.00 22.08 C ATOM 611 C LYS A 41 42.445 1.754 31.403 1.00 21.71 C ATOM 612 O LYS A 41 41.644 2.127 32.251 1.00 22.49 O ATOM 613 CB LYS A 41 41.510 -0.521 30.831 1.00 20.72 C ATOM 614 CG LYS A 41 41.031 -0.221 29.401 1.00 21.76 C ATOM 615 CD LYS A 41 39.825 -1.082 28.978 1.00 21.95 C ATOM 616 CE LYS A 41 39.356 -0.757 27.544 1.00 21.68 C ATOM 617 NZ LYS A 41 38.185 -1.574 27.115 1.00 21.90 N ATOM 618 HA LYS A 41 43.479 0.075 30.428 1.00 0.00 H ATOM 619 HB2 LYS A 41 41.733 -1.585 30.906 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.708 -0.269 31.525 1.00 0.00 H ATOM 621 HG2 LYS A 41 40.746 0.829 29.343 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.853 -0.412 28.712 1.00 0.00 H ATOM 623 HD2 LYS A 41 40.109 -2.133 29.026 1.00 0.00 H ATOM 624 HD3 LYS A 41 39.002 -0.898 29.668 1.00 0.00 H ATOM 625 HE2 LYS A 41 40.181 -0.945 26.857 1.00 0.00 H ATOM 626 HE3 LYS A 41 39.080 0.297 27.499 1.00 0.00 H ATOM 627 HZ1 LYS A 41 38.438 -2.582 27.144 1.00 0.00 H ATOM 628 HZ2 LYS A 41 37.386 -1.397 27.757 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.917 -1.311 26.145 1.00 0.00 H ATOM 630 H LYS A 41 42.774 -0.874 33.080 1.00 0.00 H ATOM 631 N PRO A 42 43.110 2.619 30.627 1.00 22.70 N ATOM 632 CA PRO A 42 42.970 4.083 30.641 1.00 23.54 C ATOM 633 C PRO A 42 41.557 4.664 30.499 1.00 22.98 C ATOM 634 O PRO A 42 41.200 5.609 31.207 1.00 23.43 O ATOM 635 CB PRO A 42 43.860 4.523 29.472 1.00 23.71 C ATOM 636 CG PRO A 42 44.839 3.413 29.341 1.00 24.00 C ATOM 637 CD PRO A 42 44.000 2.198 29.534 1.00 23.02 C ATOM 638 HA PRO A 42 43.250 4.459 31.625 1.00 0.00 H ATOM 639 HD3 PRO A 42 43.436 1.957 28.633 1.00 0.00 H ATOM 640 HD2 PRO A 42 44.605 1.339 29.823 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.612 3.481 30.106 1.00 0.00 H ATOM 642 HG2 PRO A 42 45.304 3.415 28.355 1.00 0.00 H ATOM 643 HB2 PRO A 42 43.276 4.637 28.559 1.00 0.00 H ATOM 644 HB3 PRO A 42 44.364 5.462 29.699 1.00 0.00 H ATOM 645 N VAL A 43 40.780 4.151 29.545 1.00 22.12 N ATOM 646 CA VAL A 43 39.415 4.650 29.317 1.00 22.14 C ATOM 647 C VAL A 43 38.515 3.482 28.975 1.00 19.11 C ATOM 648 O VAL A 43 38.962 2.518 28.360 1.00 21.19 O ATOM 649 CB VAL A 43 39.327 5.642 28.107 1.00 24.63 C ATOM 650 CG1 VAL A 43 37.965 6.380 28.124 1.00 25.87 C ATOM 651 CG2 VAL A 43 40.488 6.645 28.121 1.00 27.05 C ATOM 652 HA VAL A 43 39.115 5.167 30.229 1.00 0.00 H ATOM 653 HB VAL A 43 39.404 5.064 27.186 1.00 0.00 H ATOM 654 HG11 VAL A 43 37.158 5.652 28.050 1.00 0.00 H ATOM 655 HG12 VAL A 43 37.868 6.939 29.055 1.00 0.00 H ATOM 656 HG13 VAL A 43 37.915 7.067 27.279 1.00 0.00 H ATOM 657 HG21 VAL A 43 40.457 7.222 29.045 1.00 0.00 H ATOM 658 HG22 VAL A 43 41.433 6.106 28.059 1.00 0.00 H ATOM 659 HG23 VAL A 43 40.396 7.318 27.268 1.00 0.00 H ATOM 660 H VAL A 43 41.147 3.382 28.949 1.00 0.00 H ATOM 661 N ASN A 44 37.244 3.580 29.334 1.00 16.98 N ATOM 662 CA ASN A 44 36.299 2.519 29.039 1.00 15.32 C ATOM 663 C ASN A 44 34.925 3.088 29.198 1.00 15.09 C ATOM 664 O ASN A 44 34.719 3.971 30.019 1.00 19.35 O ATOM 665 CB ASN A 44 36.489 1.336 29.992 1.00 14.57 C ATOM 666 CG ASN A 44 35.710 0.110 29.564 1.00 15.28 C ATOM 667 OD1 ASN A 44 35.999 -0.492 28.528 1.00 17.56 O ATOM 668 ND2 ASN A 44 34.725 -0.278 30.366 1.00 13.37 N ATOM 669 HA ASN A 44 36.455 2.150 28.025 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.548 1.082 30.026 1.00 0.00 H ATOM 671 HB3 ASN A 44 36.155 1.632 30.987 1.00 0.00 H ATOM 672 HD22 ASN A 44 34.516 0.261 31.231 1.00 0.00 H ATOM 673 HD21 ASN A 44 34.163 -1.120 30.129 1.00 0.00 H ATOM 674 H ASN A 44 36.918 4.431 29.835 1.00 0.00 H ATOM 675 N THR A 45 33.988 2.614 28.390 1.00 13.42 N ATOM 676 CA THR A 45 32.624 3.093 28.456 1.00 11.68 C ATOM 677 C THR A 45 31.658 1.959 28.769 1.00 10.98 C ATOM 678 O THR A 45 31.796 0.857 28.244 1.00 10.34 O ATOM 679 CB THR A 45 32.223 3.769 27.110 1.00 11.40 C ATOM 680 OG1 THR A 45 33.098 4.873 26.862 1.00 13.33 O ATOM 681 CG2 THR A 45 30.766 4.270 27.139 1.00 11.52 C ATOM 682 HA THR A 45 32.566 3.827 29.260 1.00 0.00 H ATOM 683 HB THR A 45 32.309 3.027 26.316 1.00 0.00 H ATOM 684 HG1 THR A 45 33.019 5.527 27.601 1.00 0.00 H ATOM 685 HG23 THR A 45 30.098 3.430 27.328 1.00 0.00 H ATOM 686 HG21 THR A 45 30.653 5.011 27.931 1.00 0.00 H ATOM 687 HG22 THR A 45 30.520 4.723 26.179 1.00 0.00 H ATOM 688 H THR A 45 34.238 1.883 27.694 1.00 0.00 H ATOM 689 N PHE A 46 30.713 2.224 29.663 1.00 9.97 N ATOM 690 CA PHE A 46 29.692 1.252 29.997 1.00 9.64 C ATOM 691 C PHE A 46 28.387 1.782 29.436 1.00 9.95 C ATOM 692 O PHE A 46 28.155 2.992 29.457 1.00 12.83 O ATOM 693 CB PHE A 46 29.579 1.074 31.514 1.00 11.54 C ATOM 694 CG PHE A 46 30.723 0.324 32.102 1.00 10.60 C ATOM 695 CD1 PHE A 46 30.733 -1.061 32.085 1.00 11.40 C ATOM 696 CD2 PHE A 46 31.806 0.997 32.633 1.00 10.88 C ATOM 697 CE1 PHE A 46 31.806 -1.766 32.584 1.00 13.02 C ATOM 698 CE2 PHE A 46 32.891 0.288 33.139 1.00 12.67 C ATOM 699 CZ PHE A 46 32.886 -1.093 33.111 1.00 11.61 C ATOM 700 HA PHE A 46 29.940 0.277 29.577 1.00 0.00 H ATOM 701 HB2 PHE A 46 29.536 2.060 31.977 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.659 0.531 31.732 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.811 2.087 32.656 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.744 0.822 33.557 1.00 0.00 H ATOM 705 HZ PHE A 46 33.736 -1.650 33.506 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.800 -2.856 32.562 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.881 -1.600 31.671 1.00 0.00 H ATOM 708 H PHE A 46 30.705 3.151 30.135 1.00 0.00 H ATOM 709 N VAL A 47 27.546 0.882 28.937 1.00 10.48 N ATOM 710 CA VAL A 47 26.256 1.239 28.362 1.00 9.56 C ATOM 711 C VAL A 47 25.131 0.722 29.258 1.00 9.42 C ATOM 712 O VAL A 47 25.093 -0.463 29.596 1.00 11.43 O ATOM 713 CB VAL A 47 26.109 0.640 26.926 1.00 9.63 C ATOM 714 CG1 VAL A 47 24.814 1.112 26.276 1.00 9.16 C ATOM 715 CG2 VAL A 47 27.337 1.019 26.069 1.00 10.52 C ATOM 716 HA VAL A 47 26.194 2.325 28.292 1.00 0.00 H ATOM 717 HB VAL A 47 26.064 -0.447 26.998 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.967 0.790 26.881 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.820 2.200 26.206 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.733 0.683 25.277 1.00 0.00 H ATOM 721 HG21 VAL A 47 27.410 2.104 26.000 1.00 0.00 H ATOM 722 HG22 VAL A 47 28.239 0.622 26.534 1.00 0.00 H ATOM 723 HG23 VAL A 47 27.226 0.597 25.070 1.00 0.00 H ATOM 724 H VAL A 47 27.821 -0.121 28.958 1.00 0.00 H ATOM 725 N HIS A 48 24.217 1.613 29.636 1.00 11.48 N ATOM 726 CA HIS A 48 23.087 1.268 30.500 1.00 12.93 C ATOM 727 C HIS A 48 21.808 1.097 29.708 1.00 14.90 C ATOM 728 O HIS A 48 20.856 1.874 29.869 1.00 17.06 O ATOM 729 CB HIS A 48 22.858 2.353 31.557 1.00 12.50 C ATOM 730 CG HIS A 48 24.091 2.721 32.303 1.00 13.40 C ATOM 731 ND1 HIS A 48 24.745 1.833 33.122 1.00 15.48 N ATOM 732 CD2 HIS A 48 24.836 3.851 32.298 1.00 15.29 C ATOM 733 CE1 HIS A 48 25.845 2.393 33.586 1.00 15.90 C ATOM 734 NE2 HIS A 48 25.923 3.618 33.101 1.00 15.18 N ATOM 735 HA HIS A 48 23.340 0.323 30.981 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.475 3.245 31.060 1.00 0.00 H ATOM 737 HB3 HIS A 48 22.118 1.990 32.270 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.614 4.772 31.758 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.566 1.924 34.255 1.00 0.00 H ATOM 740 H HIS A 48 24.310 2.594 29.304 1.00 0.00 H ATOM 741 N GLU A 49 21.803 0.111 28.821 1.00 14.64 N ATOM 742 CA GLU A 49 20.632 -0.178 27.997 1.00 15.51 C ATOM 743 C GLU A 49 20.522 -1.682 27.959 1.00 13.07 C ATOM 744 O GLU A 49 21.473 -2.377 28.326 1.00 14.85 O ATOM 745 CB GLU A 49 20.805 0.362 26.562 1.00 15.80 C ATOM 746 CG GLU A 49 20.996 1.880 26.439 1.00 15.83 C ATOM 747 CD GLU A 49 19.779 2.717 26.876 1.00 17.16 C ATOM 748 OE1 GLU A 49 18.631 2.212 26.915 1.00 19.54 O ATOM 749 OE2 GLU A 49 19.976 3.910 27.171 1.00 16.23 O ATOM 750 HA GLU A 49 19.743 0.297 28.411 1.00 0.00 H ATOM 751 HB2 GLU A 49 21.679 -0.122 26.125 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.917 0.089 25.992 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.846 2.167 27.058 1.00 0.00 H ATOM 754 HG3 GLU A 49 21.212 2.112 25.396 1.00 0.00 H ATOM 755 H GLU A 49 22.656 -0.473 28.709 1.00 0.00 H ATOM 756 N SER A 50 19.366 -2.187 27.543 1.00 13.47 N ATOM 757 CA SER A 50 19.183 -3.621 27.462 1.00 12.57 C ATOM 758 C SER A 50 20.140 -4.164 26.419 1.00 13.95 C ATOM 759 O SER A 50 20.562 -3.443 25.494 1.00 14.32 O ATOM 760 CB SER A 50 17.751 -3.968 27.079 1.00 13.68 C ATOM 761 OG SER A 50 17.427 -3.504 25.780 1.00 16.44 O ATOM 762 HA SER A 50 19.385 -4.067 28.436 1.00 0.00 H ATOM 763 HB2 SER A 50 17.072 -3.509 27.798 1.00 0.00 H ATOM 764 HB3 SER A 50 17.630 -5.051 27.108 1.00 0.00 H ATOM 765 HG SER A 50 17.528 -2.520 25.748 1.00 0.00 H ATOM 766 H SER A 50 18.589 -1.550 27.274 1.00 0.00 H ATOM 767 N LEU A 51 20.515 -5.424 26.586 1.00 13.35 N ATOM 768 CA LEU A 51 21.401 -6.085 25.646 1.00 14.48 C ATOM 769 C LEU A 51 20.765 -6.069 24.236 1.00 13.53 C ATOM 770 O LEU A 51 21.447 -5.832 23.242 1.00 12.88 O ATOM 771 CB LEU A 51 21.660 -7.524 26.106 1.00 15.86 C ATOM 772 CG LEU A 51 22.567 -8.381 25.232 1.00 17.68 C ATOM 773 CD1 LEU A 51 23.884 -7.637 24.947 1.00 17.46 C ATOM 774 CD2 LEU A 51 22.806 -9.715 25.926 1.00 18.99 C ATOM 775 HA LEU A 51 22.354 -5.557 25.605 1.00 0.00 H ATOM 776 HB2 LEU A 51 22.110 -7.476 27.098 1.00 0.00 H ATOM 777 HB3 LEU A 51 20.695 -8.027 26.170 1.00 0.00 H ATOM 778 HG LEU A 51 22.092 -8.574 24.270 1.00 0.00 H ATOM 779 HD21 LEU A 51 23.282 -9.541 26.891 1.00 0.00 H ATOM 780 HD22 LEU A 51 21.852 -10.221 26.075 1.00 0.00 H ATOM 781 HD23 LEU A 51 23.455 -10.334 25.306 1.00 0.00 H ATOM 782 HD11 LEU A 51 23.667 -6.702 24.430 1.00 0.00 H ATOM 783 HD12 LEU A 51 24.391 -7.424 25.888 1.00 0.00 H ATOM 784 HD13 LEU A 51 24.524 -8.260 24.322 1.00 0.00 H ATOM 785 H LEU A 51 20.166 -5.952 27.411 1.00 0.00 H ATOM 786 N ALA A 52 19.453 -6.276 24.180 1.00 13.83 N ATOM 787 CA ALA A 52 18.700 -6.285 22.930 1.00 14.89 C ATOM 788 C ALA A 52 18.843 -4.953 22.200 1.00 14.58 C ATOM 789 O ALA A 52 19.067 -4.920 20.981 1.00 14.50 O ATOM 790 CB ALA A 52 17.210 -6.587 23.203 1.00 15.09 C ATOM 791 HA ALA A 52 19.107 -7.070 22.293 1.00 0.00 H ATOM 792 HB1 ALA A 52 17.120 -7.563 23.680 1.00 0.00 H ATOM 793 HB2 ALA A 52 16.800 -5.820 23.860 1.00 0.00 H ATOM 794 HB3 ALA A 52 16.663 -6.590 22.260 1.00 0.00 H ATOM 795 H ALA A 52 18.939 -6.439 25.069 1.00 0.00 H ATOM 796 N ASP A 53 18.731 -3.859 22.942 1.00 13.09 N ATOM 797 CA ASP A 53 18.854 -2.544 22.337 1.00 13.73 C ATOM 798 C ASP A 53 20.225 -2.266 21.760 1.00 12.43 C ATOM 799 O ASP A 53 20.348 -1.660 20.694 1.00 12.19 O ATOM 800 CB ASP A 53 18.453 -1.465 23.321 1.00 12.77 C ATOM 801 CG ASP A 53 16.970 -1.365 23.456 1.00 15.27 C ATOM 802 OD1 ASP A 53 16.266 -2.172 22.808 1.00 18.86 O ATOM 803 OD2 ASP A 53 16.503 -0.483 24.193 1.00 17.61 O ATOM 804 HA ASP A 53 18.167 -2.533 21.491 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.882 -1.698 24.296 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.842 -0.508 22.974 1.00 0.00 H ATOM 807 H ASP A 53 18.554 -3.943 23.963 1.00 0.00 H ATOM 808 N VAL A 54 21.248 -2.728 22.462 1.00 11.54 N ATOM 809 CA VAL A 54 22.609 -2.546 22.014 1.00 10.41 C ATOM 810 C VAL A 54 22.923 -3.448 20.815 1.00 9.78 C ATOM 811 O VAL A 54 23.580 -3.010 19.884 1.00 9.11 O ATOM 812 CB VAL A 54 23.607 -2.783 23.178 1.00 10.55 C ATOM 813 CG1 VAL A 54 25.053 -2.671 22.671 1.00 12.24 C ATOM 814 CG2 VAL A 54 23.352 -1.767 24.277 1.00 9.33 C ATOM 815 HA VAL A 54 22.721 -1.514 21.683 1.00 0.00 H ATOM 816 HB VAL A 54 23.461 -3.787 23.578 1.00 0.00 H ATOM 817 HG11 VAL A 54 25.224 -3.419 21.897 1.00 0.00 H ATOM 818 HG12 VAL A 54 25.216 -1.675 22.259 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.741 -2.840 23.499 1.00 0.00 H ATOM 820 HG21 VAL A 54 23.489 -0.761 23.879 1.00 0.00 H ATOM 821 HG22 VAL A 54 22.332 -1.879 24.644 1.00 0.00 H ATOM 822 HG23 VAL A 54 24.053 -1.934 25.094 1.00 0.00 H ATOM 823 H VAL A 54 21.068 -3.232 23.354 1.00 0.00 H ATOM 824 N GLN A 55 22.456 -4.695 20.830 1.00 10.48 N ATOM 825 CA GLN A 55 22.712 -5.597 19.700 1.00 11.51 C ATOM 826 C GLN A 55 22.053 -5.053 18.433 1.00 11.51 C ATOM 827 O GLN A 55 22.598 -5.190 17.335 1.00 12.11 O ATOM 828 CB GLN A 55 22.177 -6.996 19.968 1.00 11.79 C ATOM 829 CG GLN A 55 22.942 -7.748 21.029 1.00 15.23 C ATOM 830 CD GLN A 55 22.295 -9.084 21.381 1.00 17.62 C ATOM 831 OE1 GLN A 55 22.976 -10.020 21.788 1.00 21.98 O ATOM 832 NE2 GLN A 55 20.978 -9.172 21.235 1.00 20.79 N ATOM 833 HA GLN A 55 23.792 -5.654 19.568 1.00 0.00 H ATOM 834 HB2 GLN A 55 21.138 -6.912 20.288 1.00 0.00 H ATOM 835 HB3 GLN A 55 22.225 -7.566 19.040 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.953 -7.934 20.666 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.988 -7.134 21.928 1.00 0.00 H ATOM 838 HE22 GLN A 55 20.438 -8.354 20.887 1.00 0.00 H ATOM 839 HE21 GLN A 55 20.487 -10.058 21.469 1.00 0.00 H ATOM 840 H GLN A 55 21.907 -5.032 21.647 1.00 0.00 H ATOM 841 N ALA A 56 20.904 -4.407 18.598 1.00 10.37 N ATOM 842 CA ALA A 56 20.161 -3.834 17.472 1.00 11.04 C ATOM 843 C ALA A 56 20.931 -2.732 16.730 1.00 11.19 C ATOM 844 O ALA A 56 20.605 -2.410 15.592 1.00 12.08 O ATOM 845 CB ALA A 56 18.817 -3.286 17.947 1.00 11.10 C ATOM 846 HA ALA A 56 20.009 -4.648 16.764 1.00 0.00 H ATOM 847 HB1 ALA A 56 18.231 -4.094 18.386 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.986 -2.510 18.694 1.00 0.00 H ATOM 849 HB3 ALA A 56 18.278 -2.864 17.099 1.00 0.00 H ATOM 850 H ALA A 56 20.519 -4.304 19.559 1.00 0.00 H ATOM 851 N VAL A 57 21.936 -2.151 17.380 1.00 8.41 N ATOM 852 CA VAL A 57 22.720 -1.091 16.765 1.00 10.40 C ATOM 853 C VAL A 57 23.447 -1.660 15.538 1.00 10.85 C ATOM 854 O VAL A 57 23.683 -0.933 14.573 1.00 8.46 O ATOM 855 CB VAL A 57 23.731 -0.455 17.769 1.00 9.32 C ATOM 856 CG1 VAL A 57 24.623 0.585 17.073 1.00 8.41 C ATOM 857 CG2 VAL A 57 22.962 0.184 18.938 1.00 8.26 C ATOM 858 HA VAL A 57 22.047 -0.291 16.456 1.00 0.00 H ATOM 859 HB VAL A 57 24.382 -1.240 18.155 1.00 0.00 H ATOM 860 HG11 VAL A 57 25.183 0.103 16.272 1.00 0.00 H ATOM 861 HG12 VAL A 57 24.000 1.376 16.657 1.00 0.00 H ATOM 862 HG13 VAL A 57 25.317 1.010 17.798 1.00 0.00 H ATOM 863 HG21 VAL A 57 22.296 0.957 18.554 1.00 0.00 H ATOM 864 HG22 VAL A 57 22.377 -0.581 19.448 1.00 0.00 H ATOM 865 HG23 VAL A 57 23.670 0.628 19.638 1.00 0.00 H ATOM 866 H VAL A 57 22.165 -2.460 18.346 1.00 0.00 H ATOM 867 N CYS A 58 23.693 -2.976 15.531 1.00 10.50 N ATOM 868 CA CYS A 58 24.374 -3.606 14.400 1.00 11.59 C ATOM 869 C CYS A 58 23.597 -3.511 13.089 1.00 11.41 C ATOM 870 O CYS A 58 24.141 -3.825 12.045 1.00 13.20 O ATOM 871 CB CYS A 58 24.758 -5.062 14.695 1.00 10.93 C ATOM 872 SG CYS A 58 25.956 -5.248 16.048 1.00 11.83 S ATOM 873 HA CYS A 58 25.289 -3.030 14.265 1.00 0.00 H ATOM 874 HB2 CYS A 58 25.190 -5.493 13.792 1.00 0.00 H ATOM 875 HB3 CYS A 58 23.853 -5.609 14.960 1.00 0.00 H ATOM 876 H CYS A 58 23.396 -3.558 16.340 1.00 0.00 H ATOM 877 N SER A 59 22.334 -3.111 13.138 1.00 11.22 N ATOM 878 CA SER A 59 21.566 -2.943 11.912 1.00 12.51 C ATOM 879 C SER A 59 21.156 -1.487 11.753 1.00 11.42 C ATOM 880 O SER A 59 20.255 -1.155 10.967 1.00 13.36 O ATOM 881 CB SER A 59 20.355 -3.875 11.871 1.00 14.98 C ATOM 882 OG SER A 59 19.438 -3.614 12.910 1.00 23.17 O ATOM 883 HA SER A 59 22.200 -3.219 11.069 1.00 0.00 H ATOM 884 HB2 SER A 59 20.702 -4.904 11.961 1.00 0.00 H ATOM 885 HB3 SER A 59 19.847 -3.747 10.915 1.00 0.00 H ATOM 886 HG SER A 59 19.888 -3.735 13.784 1.00 0.00 H ATOM 887 H SER A 59 21.889 -2.916 14.057 1.00 0.00 H ATOM 888 N GLN A 60 21.830 -0.604 12.480 1.00 9.23 N ATOM 889 CA GLN A 60 21.516 0.812 12.399 1.00 10.16 C ATOM 890 C GLN A 60 22.401 1.573 11.428 1.00 11.91 C ATOM 891 O GLN A 60 22.681 1.031 10.359 1.00 12.67 O ATOM 892 CB GLN A 60 21.405 1.429 13.792 1.00 9.64 C ATOM 893 CG GLN A 60 20.174 0.807 14.481 1.00 10.85 C ATOM 894 CD GLN A 60 19.903 1.283 15.892 1.00 10.97 C ATOM 895 OE1 GLN A 60 20.319 2.359 16.281 1.00 12.64 O ATOM 896 NE2 GLN A 60 19.154 0.490 16.650 1.00 12.20 N ATOM 897 HA GLN A 60 20.526 0.907 11.952 1.00 0.00 H ATOM 898 HB2 GLN A 60 22.304 1.210 14.368 1.00 0.00 H ATOM 899 HB3 GLN A 60 21.280 2.509 13.712 1.00 0.00 H ATOM 900 HG2 GLN A 60 19.298 1.038 13.875 1.00 0.00 H ATOM 901 HG3 GLN A 60 20.318 -0.273 14.513 1.00 0.00 H ATOM 902 HE22 GLN A 60 18.820 -0.422 16.277 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.902 0.781 17.616 1.00 0.00 H ATOM 904 H GLN A 60 22.589 -0.929 13.113 1.00 0.00 H ATOM 905 N LYS A 61 22.870 2.778 11.757 1.00 12.53 N ATOM 906 CA LYS A 61 23.672 3.530 10.777 1.00 13.94 C ATOM 907 C LYS A 61 25.101 3.070 10.549 1.00 11.89 C ATOM 908 O LYS A 61 25.937 3.175 11.427 1.00 10.72 O ATOM 909 CB LYS A 61 23.686 5.029 11.075 1.00 17.85 C ATOM 910 CG LYS A 61 24.111 5.841 9.836 1.00 22.69 C ATOM 911 CD LYS A 61 24.934 7.072 10.144 1.00 28.62 C ATOM 912 CE LYS A 61 24.220 8.042 11.045 1.00 31.63 C ATOM 913 NZ LYS A 61 25.067 9.258 11.242 1.00 35.69 N ATOM 914 HA LYS A 61 23.142 3.312 9.850 1.00 0.00 H ATOM 915 HB2 LYS A 61 22.687 5.341 11.379 1.00 0.00 H ATOM 916 HB3 LYS A 61 24.388 5.224 11.886 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.699 5.191 9.188 1.00 0.00 H ATOM 918 HG3 LYS A 61 23.210 6.157 9.310 1.00 0.00 H ATOM 919 HD2 LYS A 61 25.858 6.760 10.631 1.00 0.00 H ATOM 920 HD3 LYS A 61 25.170 7.576 9.207 1.00 0.00 H ATOM 921 HE2 LYS A 61 24.031 7.571 12.009 1.00 0.00 H ATOM 922 HE3 LYS A 61 23.272 8.329 10.591 1.00 0.00 H ATOM 923 HZ1 LYS A 61 25.971 8.983 11.676 1.00 0.00 H ATOM 924 HZ2 LYS A 61 25.246 9.707 10.321 1.00 0.00 H ATOM 925 HZ3 LYS A 61 24.571 9.927 11.865 1.00 0.00 H ATOM 926 H LYS A 61 22.672 3.182 12.695 1.00 0.00 H ATOM 927 N ASN A 62 25.398 2.616 9.341 1.00 12.19 N ATOM 928 CA ASN A 62 26.750 2.174 9.032 1.00 12.13 C ATOM 929 C ASN A 62 27.686 3.383 8.863 1.00 11.70 C ATOM 930 O ASN A 62 27.413 4.298 8.083 1.00 12.43 O ATOM 931 CB ASN A 62 26.738 1.304 7.776 1.00 13.99 C ATOM 932 CG ASN A 62 28.084 0.672 7.480 1.00 15.95 C ATOM 933 OD1 ASN A 62 28.469 0.576 6.321 1.00 19.86 O ATOM 934 ND2 ASN A 62 28.785 0.207 8.508 1.00 13.48 N ATOM 935 HA ASN A 62 27.128 1.575 9.861 1.00 0.00 H ATOM 936 HB2 ASN A 62 26.003 0.510 7.910 1.00 0.00 H ATOM 937 HB3 ASN A 62 26.451 1.924 6.927 1.00 0.00 H ATOM 938 HD22 ASN A 62 28.419 0.310 9.476 1.00 0.00 H ATOM 939 HD21 ASN A 62 29.700 -0.261 8.345 1.00 0.00 H ATOM 940 H ASN A 62 24.661 2.575 8.609 1.00 0.00 H ATOM 941 N VAL A 63 28.753 3.406 9.647 1.00 9.49 N ATOM 942 CA VAL A 63 29.732 4.479 9.638 1.00 10.51 C ATOM 943 C VAL A 63 31.132 3.863 9.639 1.00 10.17 C ATOM 944 O VAL A 63 31.312 2.684 9.968 1.00 10.96 O ATOM 945 CB VAL A 63 29.588 5.420 10.906 1.00 10.01 C ATOM 946 CG1 VAL A 63 28.242 6.143 10.904 1.00 9.60 C ATOM 947 CG2 VAL A 63 29.728 4.614 12.188 1.00 10.42 C ATOM 948 HA VAL A 63 29.566 5.084 8.747 1.00 0.00 H ATOM 949 HB VAL A 63 30.385 6.162 10.858 1.00 0.00 H ATOM 950 HG11 VAL A 63 28.160 6.754 10.005 1.00 0.00 H ATOM 951 HG12 VAL A 63 27.437 5.409 10.921 1.00 0.00 H ATOM 952 HG13 VAL A 63 28.172 6.781 11.785 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.950 3.851 12.223 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.708 4.137 12.211 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.626 5.278 13.046 1.00 0.00 H ATOM 956 H VAL A 63 28.898 2.613 10.304 1.00 0.00 H ATOM 957 N ALA A 64 32.125 4.662 9.271 1.00 10.78 N ATOM 958 CA ALA A 64 33.505 4.187 9.253 1.00 11.66 C ATOM 959 C ALA A 64 34.051 4.062 10.680 1.00 10.29 C ATOM 960 O ALA A 64 33.789 4.917 11.535 1.00 9.77 O ATOM 961 CB ALA A 64 34.390 5.142 8.444 1.00 11.42 C ATOM 962 HA ALA A 64 33.519 3.204 8.782 1.00 0.00 H ATOM 963 HB1 ALA A 64 34.020 5.198 7.420 1.00 0.00 H ATOM 964 HB2 ALA A 64 34.362 6.133 8.897 1.00 0.00 H ATOM 965 HB3 ALA A 64 35.415 4.771 8.442 1.00 0.00 H ATOM 966 H ALA A 64 31.917 5.642 8.991 1.00 0.00 H ATOM 967 N CYS A 65 34.805 2.999 10.928 1.00 9.60 N ATOM 968 CA CYS A 65 35.431 2.784 12.242 1.00 11.53 C ATOM 969 C CYS A 65 36.687 3.643 12.343 1.00 11.85 C ATOM 970 O CYS A 65 37.315 3.939 11.326 1.00 12.46 O ATOM 971 CB CYS A 65 35.871 1.326 12.410 1.00 10.74 C ATOM 972 SG CYS A 65 34.554 0.097 12.283 1.00 14.23 S ATOM 973 HA CYS A 65 34.699 3.043 13.008 1.00 0.00 H ATOM 974 HB2 CYS A 65 36.331 1.225 13.393 1.00 0.00 H ATOM 975 HB3 CYS A 65 36.610 1.107 11.640 1.00 0.00 H ATOM 976 H CYS A 65 34.958 2.299 10.174 1.00 0.00 H ATOM 977 N LYS A 66 37.113 3.957 13.563 1.00 10.87 N ATOM 978 CA LYS A 66 38.317 4.744 13.766 1.00 14.29 C ATOM 979 C LYS A 66 39.517 4.070 13.118 1.00 14.55 C ATOM 980 O LYS A 66 40.470 4.733 12.717 1.00 17.17 O ATOM 981 CB LYS A 66 38.595 4.939 15.263 1.00 16.16 C ATOM 982 CG LYS A 66 37.653 5.917 15.916 1.00 20.73 C ATOM 983 CD LYS A 66 37.882 6.037 17.413 1.00 25.06 C ATOM 984 CE LYS A 66 37.049 7.186 17.965 1.00 26.94 C ATOM 985 NZ LYS A 66 37.146 7.303 19.445 1.00 31.30 N ATOM 986 HA LYS A 66 38.157 5.717 13.301 1.00 0.00 H ATOM 987 HB2 LYS A 66 38.497 3.975 15.763 1.00 0.00 H ATOM 988 HB3 LYS A 66 39.614 5.306 15.382 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.796 6.897 15.461 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.629 5.584 15.745 1.00 0.00 H ATOM 991 HD2 LYS A 66 37.588 5.108 17.901 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.938 6.229 17.605 1.00 0.00 H ATOM 993 HE2 LYS A 66 36.006 7.023 17.695 1.00 0.00 H ATOM 994 HE3 LYS A 66 37.397 8.117 17.517 1.00 0.00 H ATOM 995 HZ1 LYS A 66 36.808 6.423 19.884 1.00 0.00 H ATOM 996 HZ2 LYS A 66 38.137 7.468 19.714 1.00 0.00 H ATOM 997 HZ3 LYS A 66 36.561 8.100 19.768 1.00 0.00 H ATOM 998 H LYS A 66 36.572 3.632 14.390 1.00 0.00 H ATOM 999 N ASN A 67 39.474 2.751 13.026 1.00 15.67 N ATOM 1000 CA ASN A 67 40.574 2.009 12.432 1.00 17.82 C ATOM 1001 C ASN A 67 40.527 1.884 10.900 1.00 17.71 C ATOM 1002 O ASN A 67 41.426 1.295 10.304 1.00 20.43 O ATOM 1003 CB ASN A 67 40.719 0.625 13.107 1.00 17.87 C ATOM 1004 CG ASN A 67 39.708 -0.421 12.601 1.00 17.38 C ATOM 1005 OD1 ASN A 67 38.694 -0.098 11.982 1.00 17.13 O ATOM 1006 ND2 ASN A 67 39.998 -1.695 12.881 1.00 21.03 N ATOM 1007 HA ASN A 67 41.464 2.607 12.626 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.725 0.252 12.915 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.578 0.749 14.181 1.00 0.00 H ATOM 1010 HD22 ASN A 67 40.865 -1.928 13.406 1.00 0.00 H ATOM 1011 HD21 ASN A 67 39.357 -2.454 12.574 1.00 0.00 H ATOM 1012 H ASN A 67 38.643 2.238 13.383 1.00 0.00 H ATOM 1013 N GLY A 68 39.505 2.446 10.260 1.00 15.96 N ATOM 1014 CA GLY A 68 39.416 2.351 8.821 1.00 15.30 C ATOM 1015 C GLY A 68 38.518 1.231 8.340 1.00 16.13 C ATOM 1016 O GLY A 68 38.147 1.180 7.167 1.00 17.46 O ATOM 1017 HA3 GLY A 68 40.417 2.184 8.424 1.00 0.00 H ATOM 1018 HA2 GLY A 68 39.027 3.294 8.437 1.00 0.00 H ATOM 1019 H GLY A 68 38.771 2.953 10.795 1.00 0.00 H ATOM 1020 N GLN A 69 38.189 0.293 9.211 1.00 16.43 N ATOM 1021 CA GLN A 69 37.298 -0.787 8.811 1.00 15.72 C ATOM 1022 C GLN A 69 35.912 -0.175 8.623 1.00 14.08 C ATOM 1023 O GLN A 69 35.669 0.951 9.048 1.00 14.53 O ATOM 1024 CB GLN A 69 37.267 -1.905 9.860 1.00 19.22 C ATOM 1025 CG GLN A 69 38.490 -2.827 9.857 1.00 25.89 C ATOM 1026 CD GLN A 69 38.289 -4.082 10.725 1.00 29.75 C ATOM 1027 OE1 GLN A 69 38.888 -4.215 11.798 1.00 32.55 O ATOM 1028 NE2 GLN A 69 37.431 -4.993 10.265 1.00 31.73 N ATOM 1029 HA GLN A 69 37.648 -1.245 7.886 1.00 0.00 H ATOM 1030 HB2 GLN A 69 37.193 -1.444 10.845 1.00 0.00 H ATOM 1031 HB3 GLN A 69 36.382 -2.515 9.679 1.00 0.00 H ATOM 1032 HG2 GLN A 69 38.689 -3.140 8.832 1.00 0.00 H ATOM 1033 HG3 GLN A 69 39.347 -2.272 10.239 1.00 0.00 H ATOM 1034 HE22 GLN A 69 36.948 -4.841 9.356 1.00 0.00 H ATOM 1035 HE21 GLN A 69 37.244 -5.856 10.815 1.00 0.00 H ATOM 1036 H GLN A 69 38.566 0.326 10.180 1.00 0.00 H ATOM 1037 N THR A 70 35.009 -0.882 7.966 1.00 12.30 N ATOM 1038 CA THR A 70 33.689 -0.321 7.751 1.00 15.16 C ATOM 1039 C THR A 70 32.565 -1.060 8.448 1.00 13.40 C ATOM 1040 O THR A 70 31.392 -0.872 8.107 1.00 16.08 O ATOM 1041 CB THR A 70 33.377 -0.189 6.248 1.00 18.87 C ATOM 1042 OG1 THR A 70 33.333 -1.487 5.640 1.00 21.25 O ATOM 1043 CG2 THR A 70 34.446 0.665 5.571 1.00 21.11 C ATOM 1044 HA THR A 70 33.732 0.666 8.211 1.00 0.00 H ATOM 1045 HB THR A 70 32.406 0.291 6.128 1.00 0.00 H ATOM 1046 HG1 THR A 70 33.132 -1.392 4.675 1.00 0.00 H ATOM 1047 HG23 THR A 70 34.473 1.649 6.039 1.00 0.00 H ATOM 1048 HG21 THR A 70 35.417 0.183 5.680 1.00 0.00 H ATOM 1049 HG22 THR A 70 34.208 0.771 4.513 1.00 0.00 H ATOM 1050 H THR A 70 35.242 -1.830 7.607 1.00 0.00 H ATOM 1051 N ASN A 71 32.916 -1.881 9.432 1.00 11.34 N ATOM 1052 CA ASN A 71 31.916 -2.652 10.167 1.00 10.38 C ATOM 1053 C ASN A 71 31.406 -1.969 11.461 1.00 9.51 C ATOM 1054 O ASN A 71 31.045 -2.645 12.433 1.00 10.33 O ATOM 1055 CB ASN A 71 32.429 -4.082 10.451 1.00 9.71 C ATOM 1056 CG ASN A 71 33.639 -4.109 11.367 1.00 9.46 C ATOM 1057 OD1 ASN A 71 34.566 -3.314 11.219 1.00 12.82 O ATOM 1058 ND2 ASN A 71 33.642 -5.032 12.310 1.00 10.13 N ATOM 1059 HA ASN A 71 31.045 -2.707 9.514 1.00 0.00 H ATOM 1060 HB2 ASN A 71 31.627 -4.652 10.919 1.00 0.00 H ATOM 1061 HB3 ASN A 71 32.700 -4.548 9.504 1.00 0.00 H ATOM 1062 HD22 ASN A 71 32.838 -5.685 12.401 1.00 0.00 H ATOM 1063 HD21 ASN A 71 34.449 -5.106 12.962 1.00 0.00 H ATOM 1064 H ASN A 71 33.921 -1.977 9.684 1.00 0.00 H ATOM 1065 N CYS A 72 31.351 -0.641 11.454 1.00 9.63 N ATOM 1066 CA CYS A 72 30.866 0.120 12.601 1.00 8.50 C ATOM 1067 C CYS A 72 29.489 0.685 12.333 1.00 8.05 C ATOM 1068 O CYS A 72 29.130 0.966 11.181 1.00 8.78 O ATOM 1069 CB CYS A 72 31.839 1.234 12.980 1.00 8.86 C ATOM 1070 SG CYS A 72 33.307 0.573 13.810 1.00 9.69 S ATOM 1071 HA CYS A 72 30.796 -0.567 13.445 1.00 0.00 H ATOM 1072 HB2 CYS A 72 31.336 1.932 13.650 1.00 0.00 H ATOM 1073 HB3 CYS A 72 32.148 1.758 12.076 1.00 0.00 H ATOM 1074 H CYS A 72 31.663 -0.128 10.605 1.00 0.00 H ATOM 1075 N TYR A 73 28.708 0.802 13.405 1.00 7.41 N ATOM 1076 CA TYR A 73 27.344 1.295 13.345 1.00 6.95 C ATOM 1077 C TYR A 73 27.078 2.271 14.468 1.00 8.97 C ATOM 1078 O TYR A 73 27.529 2.078 15.605 1.00 9.56 O ATOM 1079 CB TYR A 73 26.357 0.132 13.441 1.00 7.76 C ATOM 1080 CG TYR A 73 26.570 -0.885 12.370 1.00 8.08 C ATOM 1081 CD1 TYR A 73 27.532 -1.874 12.523 1.00 9.31 C ATOM 1082 CD2 TYR A 73 25.903 -0.784 11.148 1.00 9.94 C ATOM 1083 CE1 TYR A 73 27.851 -2.730 11.485 1.00 12.09 C ATOM 1084 CE2 TYR A 73 26.207 -1.639 10.102 1.00 11.50 C ATOM 1085 CZ TYR A 73 27.186 -2.603 10.274 1.00 12.00 C ATOM 1086 OH TYR A 73 27.546 -3.433 9.238 1.00 15.15 O ATOM 1087 HA TYR A 73 27.211 1.807 12.392 1.00 0.00 H ATOM 1088 HB3 TYR A 73 25.344 0.524 13.355 1.00 0.00 H ATOM 1089 HB2 TYR A 73 26.477 -0.350 14.411 1.00 0.00 H ATOM 1090 HD2 TYR A 73 25.134 -0.023 11.016 1.00 0.00 H ATOM 1091 HE2 TYR A 73 25.680 -1.554 9.152 1.00 0.00 H ATOM 1092 HE1 TYR A 73 28.616 -3.495 11.617 1.00 0.00 H ATOM 1093 HD1 TYR A 73 28.045 -1.978 13.479 1.00 0.00 H ATOM 1094 HH TYR A 73 28.255 -4.053 9.544 1.00 0.00 H ATOM 1095 H TYR A 73 29.094 0.527 14.331 1.00 0.00 H ATOM 1096 N GLN A 74 26.327 3.310 14.140 1.00 9.41 N ATOM 1097 CA GLN A 74 25.972 4.355 15.083 1.00 10.42 C ATOM 1098 C GLN A 74 24.501 4.225 15.438 1.00 10.88 C ATOM 1099 O GLN A 74 23.655 3.986 14.561 1.00 11.73 O ATOM 1100 CB GLN A 74 26.258 5.714 14.456 1.00 10.50 C ATOM 1101 CG GLN A 74 26.001 6.904 15.357 1.00 14.56 C ATOM 1102 CD GLN A 74 26.323 8.212 14.666 1.00 15.52 C ATOM 1103 OE1 GLN A 74 27.427 8.403 14.158 1.00 19.80 O ATOM 1104 NE2 GLN A 74 25.368 9.120 14.650 1.00 19.31 N ATOM 1105 HA GLN A 74 26.563 4.260 15.994 1.00 0.00 H ATOM 1106 HB2 GLN A 74 27.307 5.735 14.159 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.629 5.817 13.572 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.950 6.907 15.647 1.00 0.00 H ATOM 1109 HG3 GLN A 74 26.622 6.813 16.248 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.449 8.916 15.092 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.533 10.041 14.195 1.00 0.00 H ATOM 1112 H GLN A 74 25.976 3.381 13.164 1.00 0.00 H ATOM 1113 N SER A 75 24.201 4.302 16.734 1.00 10.59 N ATOM 1114 CA SER A 75 22.823 4.207 17.200 1.00 10.92 C ATOM 1115 C SER A 75 22.003 5.422 16.752 1.00 10.55 C ATOM 1116 O SER A 75 22.485 6.562 16.831 1.00 11.33 O ATOM 1117 CB SER A 75 22.775 4.077 18.744 1.00 11.36 C ATOM 1118 OG SER A 75 23.257 5.234 19.423 1.00 12.33 O ATOM 1119 HA SER A 75 22.385 3.313 16.756 1.00 0.00 H ATOM 1120 HB2 SER A 75 23.385 3.223 19.039 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.742 3.904 19.045 1.00 0.00 H ATOM 1122 HG SER A 75 22.705 6.016 19.172 1.00 0.00 H ATOM 1123 H SER A 75 24.965 4.433 17.427 1.00 0.00 H ATOM 1124 N TYR A 76 20.793 5.188 16.243 1.00 10.09 N ATOM 1125 CA TYR A 76 19.926 6.295 15.835 1.00 11.54 C ATOM 1126 C TYR A 76 19.515 7.133 17.049 1.00 12.27 C ATOM 1127 O TYR A 76 19.414 8.348 16.959 1.00 13.88 O ATOM 1128 CB TYR A 76 18.670 5.780 15.135 1.00 11.77 C ATOM 1129 CG TYR A 76 18.966 5.219 13.775 1.00 11.62 C ATOM 1130 CD1 TYR A 76 19.648 5.978 12.828 1.00 13.26 C ATOM 1131 CD2 TYR A 76 18.594 3.924 13.441 1.00 12.65 C ATOM 1132 CE1 TYR A 76 19.959 5.456 11.583 1.00 13.63 C ATOM 1133 CE2 TYR A 76 18.897 3.391 12.192 1.00 12.27 C ATOM 1134 CZ TYR A 76 19.582 4.164 11.275 1.00 11.77 C ATOM 1135 OH TYR A 76 19.930 3.632 10.062 1.00 15.64 O ATOM 1136 HA TYR A 76 20.492 6.915 15.139 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.965 6.604 15.029 1.00 0.00 H ATOM 1138 HB2 TYR A 76 18.223 4.997 15.748 1.00 0.00 H ATOM 1139 HD2 TYR A 76 18.056 3.316 14.168 1.00 0.00 H ATOM 1140 HE2 TYR A 76 18.597 2.374 11.940 1.00 0.00 H ATOM 1141 HE1 TYR A 76 20.497 6.060 10.853 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.942 6.999 13.070 1.00 0.00 H ATOM 1143 HH TYR A 76 20.517 2.847 10.203 1.00 0.00 H ATOM 1144 H TYR A 76 20.461 4.208 16.135 1.00 0.00 H ATOM 1145 N SER A 77 19.280 6.474 18.178 1.00 13.79 N ATOM 1146 CA SER A 77 18.898 7.158 19.406 1.00 14.09 C ATOM 1147 C SER A 77 20.104 7.328 20.329 1.00 14.12 C ATOM 1148 O SER A 77 21.128 6.655 20.180 1.00 13.08 O ATOM 1149 CB SER A 77 17.848 6.332 20.165 1.00 15.86 C ATOM 1150 OG SER A 77 16.772 5.925 19.335 1.00 22.80 O ATOM 1151 HA SER A 77 18.497 8.133 19.129 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.451 6.936 20.981 1.00 0.00 H ATOM 1153 HB3 SER A 77 18.330 5.444 20.573 1.00 0.00 H ATOM 1154 HG SER A 77 16.126 5.398 19.869 1.00 0.00 H ATOM 1155 H SER A 77 19.372 5.438 18.185 1.00 0.00 H ATOM 1156 N THR A 78 19.981 8.254 21.269 1.00 13.78 N ATOM 1157 CA THR A 78 21.012 8.471 22.275 1.00 15.72 C ATOM 1158 C THR A 78 20.788 7.342 23.301 1.00 14.15 C ATOM 1159 O THR A 78 19.694 6.786 23.400 1.00 14.95 O ATOM 1160 CB THR A 78 20.846 9.861 22.985 1.00 17.35 C ATOM 1161 OG1 THR A 78 19.486 10.028 23.410 1.00 18.71 O ATOM 1162 CG2 THR A 78 21.216 11.001 22.039 1.00 17.62 C ATOM 1163 HA THR A 78 22.008 8.466 21.831 1.00 0.00 H ATOM 1164 HB THR A 78 21.513 9.886 23.847 1.00 0.00 H ATOM 1165 HG1 THR A 78 18.888 9.988 22.622 1.00 0.00 H ATOM 1166 HG23 THR A 78 22.249 10.880 21.712 1.00 0.00 H ATOM 1167 HG21 THR A 78 20.555 10.982 21.173 1.00 0.00 H ATOM 1168 HG22 THR A 78 21.107 11.953 22.559 1.00 0.00 H ATOM 1169 H THR A 78 19.124 8.843 21.289 1.00 0.00 H ATOM 1170 N MET A 79 21.827 6.992 24.039 1.00 13.01 N ATOM 1171 CA MET A 79 21.748 5.940 25.028 1.00 12.32 C ATOM 1172 C MET A 79 22.469 6.429 26.263 1.00 11.81 C ATOM 1173 O MET A 79 23.352 7.277 26.183 1.00 12.42 O ATOM 1174 CB MET A 79 22.431 4.668 24.513 1.00 12.98 C ATOM 1175 CG MET A 79 21.706 3.978 23.359 1.00 15.04 C ATOM 1176 SD MET A 79 22.423 2.373 22.965 1.00 18.65 S ATOM 1177 CE MET A 79 21.183 1.689 21.908 1.00 18.11 C ATOM 1178 HA MET A 79 20.706 5.704 25.244 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.433 4.933 24.175 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.503 3.962 25.340 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.765 4.615 22.476 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.661 3.837 23.635 1.00 0.00 H ATOM 1183 HE1 MET A 79 20.241 1.621 22.452 1.00 0.00 H ATOM 1184 HE2 MET A 79 21.055 2.332 21.037 1.00 0.00 H ATOM 1185 HE3 MET A 79 21.491 0.694 21.585 1.00 0.00 H ATOM 1186 H MET A 79 22.730 7.489 23.904 1.00 0.00 H ATOM 1187 N SER A 80 22.097 5.880 27.404 1.00 12.06 N ATOM 1188 CA SER A 80 22.711 6.261 28.662 1.00 12.71 C ATOM 1189 C SER A 80 24.043 5.536 28.790 1.00 10.80 C ATOM 1190 O SER A 80 24.096 4.310 28.734 1.00 11.53 O ATOM 1191 CB SER A 80 21.790 5.895 29.832 1.00 13.60 C ATOM 1192 OG SER A 80 22.385 6.272 31.056 1.00 14.91 O ATOM 1193 HA SER A 80 22.875 7.338 28.684 1.00 0.00 H ATOM 1194 HB2 SER A 80 21.617 4.819 29.832 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.839 6.415 29.718 1.00 0.00 H ATOM 1196 HG SER A 80 21.782 6.031 31.803 1.00 0.00 H ATOM 1197 H SER A 80 21.348 5.159 27.401 1.00 0.00 H ATOM 1198 N ILE A 81 25.110 6.298 28.967 1.00 11.64 N ATOM 1199 CA ILE A 81 26.436 5.727 29.086 1.00 13.15 C ATOM 1200 C ILE A 81 27.230 6.348 30.226 1.00 13.81 C ATOM 1201 O ILE A 81 26.910 7.428 30.721 1.00 15.35 O ATOM 1202 CB ILE A 81 27.269 5.945 27.783 1.00 14.47 C ATOM 1203 CG1 ILE A 81 27.435 7.454 27.515 1.00 14.19 C ATOM 1204 CG2 ILE A 81 26.566 5.269 26.589 1.00 14.55 C ATOM 1205 CD1 ILE A 81 28.679 7.836 26.774 1.00 16.81 C ATOM 1206 HA ILE A 81 26.278 4.665 29.275 1.00 0.00 H ATOM 1207 HB ILE A 81 28.254 5.497 27.910 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.578 7.790 26.931 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.443 7.969 28.476 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.552 7.524 27.347 1.00 0.00 H ATOM 1211 HD12 ILE A 81 28.686 7.344 25.801 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.701 8.917 26.636 1.00 0.00 H ATOM 1213 HG21 ILE A 81 26.473 4.200 26.781 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.575 5.704 26.459 1.00 0.00 H ATOM 1215 HG23 ILE A 81 27.155 5.427 25.685 1.00 0.00 H ATOM 1216 H ILE A 81 24.994 7.330 29.022 1.00 0.00 H ATOM 1217 N THR A 82 28.283 5.653 30.623 1.00 13.48 N ATOM 1218 CA THR A 82 29.184 6.142 31.647 1.00 13.65 C ATOM 1219 C THR A 82 30.609 5.965 31.116 1.00 14.32 C ATOM 1220 O THR A 82 30.989 4.870 30.698 1.00 14.08 O ATOM 1221 CB THR A 82 29.046 5.381 33.002 1.00 12.82 C ATOM 1222 OG1 THR A 82 27.726 5.546 33.533 1.00 13.44 O ATOM 1223 CG2 THR A 82 30.038 5.935 34.007 1.00 15.54 C ATOM 1224 HA THR A 82 28.940 7.184 31.852 1.00 0.00 H ATOM 1225 HB THR A 82 29.242 4.324 32.822 1.00 0.00 H ATOM 1226 HG1 THR A 82 27.065 5.185 32.890 1.00 0.00 H ATOM 1227 HG23 THR A 82 31.050 5.818 33.619 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.832 6.992 34.174 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.943 5.392 34.947 1.00 0.00 H ATOM 1230 H THR A 82 28.470 4.728 30.187 1.00 0.00 H ATOM 1231 N ASP A 83 31.347 7.066 31.010 1.00 16.23 N ATOM 1232 CA ASP A 83 32.735 7.013 30.585 1.00 18.27 C ATOM 1233 C ASP A 83 33.586 6.943 31.829 1.00 18.24 C ATOM 1234 O ASP A 83 33.331 7.664 32.791 1.00 17.33 O ATOM 1235 CB ASP A 83 33.130 8.264 29.828 1.00 21.51 C ATOM 1236 CG ASP A 83 32.530 8.314 28.469 1.00 26.09 C ATOM 1237 OD1 ASP A 83 32.815 7.408 27.666 1.00 25.35 O ATOM 1238 OD2 ASP A 83 31.760 9.260 28.213 1.00 32.24 O ATOM 1239 HA ASP A 83 32.873 6.151 29.933 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.796 9.135 30.391 1.00 0.00 H ATOM 1241 HB3 ASP A 83 34.216 8.289 29.733 1.00 0.00 H ATOM 1242 H ASP A 83 30.920 7.987 31.237 1.00 0.00 H ATOM 1243 N CYS A 84 34.595 6.087 31.801 1.00 18.13 N ATOM 1244 CA CYS A 84 35.515 5.933 32.917 1.00 19.51 C ATOM 1245 C CYS A 84 36.879 6.305 32.375 1.00 21.71 C ATOM 1246 O CYS A 84 37.347 5.700 31.424 1.00 22.03 O ATOM 1247 CB CYS A 84 35.527 4.490 33.409 1.00 17.04 C ATOM 1248 SG CYS A 84 33.941 3.928 34.087 1.00 17.91 S ATOM 1249 HA CYS A 84 35.225 6.559 33.761 1.00 0.00 H ATOM 1250 HB2 CYS A 84 36.284 4.399 34.188 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.790 3.844 32.571 1.00 0.00 H ATOM 1252 H CYS A 84 34.735 5.504 30.951 1.00 0.00 H ATOM 1253 N ARG A 85 37.510 7.305 32.971 1.00 25.12 N ATOM 1254 CA ARG A 85 38.810 7.754 32.504 1.00 29.75 C ATOM 1255 C ARG A 85 39.746 7.790 33.693 1.00 31.05 C ATOM 1256 O ARG A 85 39.395 8.303 34.764 1.00 29.72 O ATOM 1257 CB ARG A 85 38.680 9.135 31.860 1.00 34.37 C ATOM 1258 CG ARG A 85 39.942 9.640 31.178 1.00 42.91 C ATOM 1259 CD ARG A 85 39.689 10.914 30.350 1.00 49.19 C ATOM 1260 NE ARG A 85 39.020 10.648 29.069 1.00 54.56 N ATOM 1261 CZ ARG A 85 39.653 10.409 27.915 1.00 57.41 C ATOM 1262 NH1 ARG A 85 40.982 10.399 27.856 1.00 59.27 N ATOM 1263 NH2 ARG A 85 38.956 10.176 26.806 1.00 59.74 N ATOM 1264 HA ARG A 85 39.208 7.075 31.750 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.886 9.089 31.114 1.00 0.00 H ATOM 1266 HB3 ARG A 85 38.405 9.848 32.637 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.689 9.860 31.941 1.00 0.00 H ATOM 1268 HG3 ARG A 85 40.319 8.860 30.516 1.00 0.00 H ATOM 1269 HD2 ARG A 85 40.647 11.392 30.148 1.00 0.00 H ATOM 1270 HD3 ARG A 85 39.064 11.589 30.934 1.00 0.00 H ATOM 1271 HE ARG A 85 37.980 10.645 29.059 1.00 0.00 H ATOM 1272 HH12 ARG A 85 41.461 10.212 26.952 1.00 0.00 H ATOM 1273 HH11 ARG A 85 41.542 10.578 28.714 1.00 0.00 H ATOM 1274 HH22 ARG A 85 39.451 9.990 25.910 1.00 0.00 H ATOM 1275 HH21 ARG A 85 37.916 10.179 26.835 1.00 0.00 H ATOM 1276 H ARG A 85 37.068 7.776 33.786 1.00 0.00 H ATOM 1277 N GLU A 86 40.922 7.206 33.509 1.00 32.40 N ATOM 1278 CA GLU A 86 41.926 7.111 34.559 1.00 35.19 C ATOM 1279 C GLU A 86 42.463 8.474 35.015 1.00 36.94 C ATOM 1280 O GLU A 86 42.972 9.250 34.203 1.00 36.95 O ATOM 1281 CB GLU A 86 43.062 6.221 34.067 1.00 34.74 C ATOM 1282 CG GLU A 86 43.951 5.676 35.157 1.00 35.31 C ATOM 1283 CD GLU A 86 45.194 4.991 34.613 1.00 35.33 C ATOM 1284 OE1 GLU A 86 45.506 5.153 33.411 1.00 36.73 O ATOM 1285 OE2 GLU A 86 45.872 4.297 35.394 1.00 36.16 O ATOM 1286 HA GLU A 86 41.449 6.676 35.437 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.626 5.378 33.531 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.680 6.804 33.384 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.260 6.500 35.800 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.382 4.953 35.742 1.00 0.00 H ATOM 1291 H GLU A 86 41.136 6.799 32.576 1.00 0.00 H ATOM 1292 N THR A 87 42.324 8.762 36.309 1.00 39.10 N ATOM 1293 CA THR A 87 42.790 10.026 36.893 1.00 41.58 C ATOM 1294 C THR A 87 44.309 10.023 36.955 1.00 43.06 C ATOM 1295 O THR A 87 44.923 8.970 37.129 1.00 44.65 O ATOM 1296 CB THR A 87 42.278 10.219 38.328 1.00 41.79 C ATOM 1297 OG1 THR A 87 42.891 9.249 39.186 1.00 42.28 O ATOM 1298 CG2 THR A 87 40.767 10.061 38.388 1.00 42.77 C ATOM 1299 HA THR A 87 42.410 10.830 36.263 1.00 0.00 H ATOM 1300 HB THR A 87 42.536 11.226 38.657 1.00 0.00 H ATOM 1301 HG1 THR A 87 43.874 9.367 39.166 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.300 10.799 37.736 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.494 9.058 38.059 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.427 10.213 39.413 1.00 0.00 H ATOM 1305 H THR A 87 41.867 8.064 36.930 1.00 0.00 H ATOM 1306 N GLY A 88 44.910 11.205 36.899 1.00 44.10 N ATOM 1307 CA GLY A 88 46.363 11.308 36.925 1.00 43.66 C ATOM 1308 C GLY A 88 47.052 10.639 38.102 1.00 42.83 C ATOM 1309 O GLY A 88 48.155 10.116 37.963 1.00 43.88 O ATOM 1310 HA3 GLY A 88 46.623 12.366 36.942 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.747 10.855 36.011 1.00 0.00 H ATOM 1312 H GLY A 88 44.336 12.070 36.836 1.00 0.00 H ATOM 1313 N SER A 89 46.394 10.643 39.254 1.00 41.02 N ATOM 1314 CA SER A 89 46.937 10.046 40.466 1.00 39.09 C ATOM 1315 C SER A 89 46.824 8.523 40.509 1.00 38.38 C ATOM 1316 O SER A 89 47.343 7.879 41.424 1.00 38.60 O ATOM 1317 CB SER A 89 46.206 10.638 41.656 1.00 40.46 C ATOM 1318 OG SER A 89 44.849 10.865 41.310 1.00 42.80 O ATOM 1319 HA SER A 89 48.003 10.272 40.489 1.00 0.00 H ATOM 1320 HB2 SER A 89 46.673 11.582 41.937 1.00 0.00 H ATOM 1321 HB3 SER A 89 46.256 9.945 42.496 1.00 0.00 H ATOM 1322 HG SER A 89 44.427 10.007 41.055 1.00 0.00 H ATOM 1323 H SER A 89 45.455 11.089 39.293 1.00 0.00 H ATOM 1324 N SER A 90 46.097 7.957 39.551 1.00 35.80 N ATOM 1325 CA SER A 90 45.904 6.522 39.476 1.00 32.56 C ATOM 1326 C SER A 90 47.247 5.871 39.221 1.00 31.67 C ATOM 1327 O SER A 90 47.993 6.313 38.358 1.00 31.67 O ATOM 1328 CB SER A 90 44.942 6.205 38.345 1.00 31.34 C ATOM 1329 OG SER A 90 44.830 4.821 38.131 1.00 29.37 O ATOM 1330 HA SER A 90 45.486 6.142 40.408 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.303 6.676 37.431 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.959 6.605 38.594 1.00 0.00 H ATOM 1333 HG SER A 90 45.718 4.451 37.898 1.00 0.00 H ATOM 1334 H SER A 90 45.652 8.563 38.832 1.00 0.00 H ATOM 1335 N LYS A 91 47.547 4.818 39.973 1.00 31.73 N ATOM 1336 CA LYS A 91 48.810 4.105 39.837 1.00 32.27 C ATOM 1337 C LYS A 91 48.571 2.614 40.015 1.00 30.10 C ATOM 1338 O LYS A 91 48.068 2.194 41.051 1.00 29.88 O ATOM 1339 CB LYS A 91 49.816 4.646 40.876 1.00 36.24 C ATOM 1340 CG LYS A 91 50.802 3.638 41.471 1.00 40.50 C ATOM 1341 CD LYS A 91 50.240 3.017 42.777 1.00 44.71 C ATOM 1342 CE LYS A 91 51.109 1.883 43.313 1.00 44.85 C ATOM 1343 NZ LYS A 91 50.422 1.171 44.422 1.00 45.97 N ATOM 1344 HA LYS A 91 49.229 4.263 38.843 1.00 0.00 H ATOM 1345 HB2 LYS A 91 50.398 5.432 40.394 1.00 0.00 H ATOM 1346 HB3 LYS A 91 49.243 5.073 41.699 1.00 0.00 H ATOM 1347 HG2 LYS A 91 50.981 2.844 40.746 1.00 0.00 H ATOM 1348 HG3 LYS A 91 51.741 4.145 41.692 1.00 0.00 H ATOM 1349 HD2 LYS A 91 50.178 3.797 43.536 1.00 0.00 H ATOM 1350 HD3 LYS A 91 49.242 2.627 42.576 1.00 0.00 H ATOM 1351 HE2 LYS A 91 52.049 2.295 43.680 1.00 0.00 H ATOM 1352 HE3 LYS A 91 51.314 1.178 42.508 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 50.228 1.840 45.194 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 49.526 0.773 44.074 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 51.032 0.404 44.770 1.00 0.00 H ATOM 1356 H LYS A 91 46.859 4.492 40.681 1.00 0.00 H ATOM 1357 N TYR A 92 48.888 1.820 38.996 1.00 28.69 N ATOM 1358 CA TYR A 92 48.696 0.372 39.075 1.00 27.82 C ATOM 1359 C TYR A 92 49.511 -0.168 40.253 1.00 27.53 C ATOM 1360 O TYR A 92 50.668 0.215 40.433 1.00 25.53 O ATOM 1361 CB TYR A 92 49.133 -0.305 37.766 1.00 27.71 C ATOM 1362 CG TYR A 92 48.972 -1.813 37.758 1.00 28.46 C ATOM 1363 CD1 TYR A 92 50.001 -2.653 38.212 1.00 28.25 C ATOM 1364 CD2 TYR A 92 47.792 -2.408 37.307 1.00 28.91 C ATOM 1365 CE1 TYR A 92 49.857 -4.039 38.214 1.00 28.11 C ATOM 1366 CE2 TYR A 92 47.639 -3.801 37.307 1.00 28.47 C ATOM 1367 CZ TYR A 92 48.679 -4.602 37.760 1.00 29.27 C ATOM 1368 OH TYR A 92 48.550 -5.964 37.746 1.00 31.26 O ATOM 1369 HA TYR A 92 47.639 0.153 39.227 1.00 0.00 H ATOM 1370 HB3 TYR A 92 50.184 -0.073 37.596 1.00 0.00 H ATOM 1371 HB2 TYR A 92 48.535 0.107 36.953 1.00 0.00 H ATOM 1372 HD2 TYR A 92 46.977 -1.779 36.949 1.00 0.00 H ATOM 1373 HE2 TYR A 92 46.711 -4.252 36.954 1.00 0.00 H ATOM 1374 HE1 TYR A 92 50.667 -4.675 38.571 1.00 0.00 H ATOM 1375 HD1 TYR A 92 50.931 -2.212 38.570 1.00 0.00 H ATOM 1376 HH TYR A 92 48.399 -6.270 36.817 1.00 0.00 H ATOM 1377 H TYR A 92 49.280 2.236 38.127 1.00 0.00 H ATOM 1378 N PRO A 93 48.951 -1.126 41.017 1.00 27.54 N ATOM 1379 CA PRO A 93 47.631 -1.746 40.871 1.00 29.12 C ATOM 1380 C PRO A 93 46.470 -0.957 41.484 1.00 29.92 C ATOM 1381 O PRO A 93 45.337 -1.439 41.514 1.00 30.55 O ATOM 1382 CB PRO A 93 47.815 -3.074 41.587 1.00 29.27 C ATOM 1383 CG PRO A 93 48.645 -2.665 42.758 1.00 30.12 C ATOM 1384 CD PRO A 93 49.683 -1.740 42.141 1.00 28.39 C ATOM 1385 HA PRO A 93 47.346 -1.816 39.821 1.00 0.00 H ATOM 1386 HD3 PRO A 93 50.010 -0.985 42.856 1.00 0.00 H ATOM 1387 HD2 PRO A 93 50.548 -2.301 41.786 1.00 0.00 H ATOM 1388 HG3 PRO A 93 49.118 -3.530 43.223 1.00 0.00 H ATOM 1389 HG2 PRO A 93 48.044 -2.139 43.499 1.00 0.00 H ATOM 1390 HB2 PRO A 93 46.859 -3.493 41.902 1.00 0.00 H ATOM 1391 HB3 PRO A 93 48.338 -3.796 40.960 1.00 0.00 H ATOM 1392 N ASN A 94 46.756 0.235 41.996 1.00 29.36 N ATOM 1393 CA ASN A 94 45.729 1.073 42.595 1.00 28.77 C ATOM 1394 C ASN A 94 45.133 2.004 41.540 1.00 26.67 C ATOM 1395 O ASN A 94 45.308 3.216 41.588 1.00 26.33 O ATOM 1396 CB ASN A 94 46.311 1.858 43.776 1.00 31.34 C ATOM 1397 CG ASN A 94 46.832 0.947 44.870 1.00 33.78 C ATOM 1398 OD1 ASN A 94 48.026 0.916 45.151 1.00 36.30 O ATOM 1399 ND2 ASN A 94 45.943 0.157 45.454 1.00 35.33 N ATOM 1400 HA ASN A 94 44.926 0.443 42.978 1.00 0.00 H ATOM 1401 HB2 ASN A 94 47.132 2.478 43.415 1.00 0.00 H ATOM 1402 HB3 ASN A 94 45.531 2.496 44.192 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.940 0.216 45.186 1.00 0.00 H ATOM 1404 HD21 ASN A 94 46.248 -0.522 46.180 1.00 0.00 H ATOM 1405 H ASN A 94 47.738 0.577 41.968 1.00 0.00 H ATOM 1406 N CYS A 95 44.437 1.410 40.581 1.00 24.03 N ATOM 1407 CA CYS A 95 43.814 2.153 39.509 1.00 22.52 C ATOM 1408 C CYS A 95 42.694 3.014 40.056 1.00 22.89 C ATOM 1409 O CYS A 95 41.934 2.573 40.909 1.00 23.81 O ATOM 1410 CB CYS A 95 43.268 1.172 38.481 1.00 23.37 C ATOM 1411 SG CYS A 95 44.523 -0.020 37.924 1.00 20.99 S ATOM 1412 HA CYS A 95 44.550 2.804 39.037 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.910 1.733 37.618 1.00 0.00 H ATOM 1414 HB3 CYS A 95 42.438 0.624 38.926 1.00 0.00 H ATOM 1415 H CYS A 95 44.336 0.375 40.600 1.00 0.00 H ATOM 1416 N ALA A 96 42.573 4.228 39.531 1.00 22.94 N ATOM 1417 CA ALA A 96 41.556 5.179 39.978 1.00 22.50 C ATOM 1418 C ALA A 96 40.919 5.826 38.766 1.00 21.70 C ATOM 1419 O ALA A 96 41.611 6.228 37.833 1.00 20.86 O ATOM 1420 CB ALA A 96 42.188 6.245 40.859 1.00 24.20 C ATOM 1421 HA ALA A 96 40.797 4.653 40.557 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.643 5.772 41.729 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.952 6.777 40.292 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.420 6.947 41.185 1.00 0.00 H ATOM 1425 H ALA A 96 43.226 4.513 38.773 1.00 0.00 H ATOM 1426 N TYR A 97 39.605 5.989 38.812 1.00 22.69 N ATOM 1427 CA TYR A 97 38.857 6.562 37.696 1.00 22.66 C ATOM 1428 C TYR A 97 37.844 7.655 38.064 1.00 23.05 C ATOM 1429 O TYR A 97 37.270 7.665 39.156 1.00 23.81 O ATOM 1430 CB TYR A 97 38.090 5.444 36.958 1.00 21.20 C ATOM 1431 CG TYR A 97 38.968 4.375 36.360 1.00 19.30 C ATOM 1432 CD1 TYR A 97 39.479 3.346 37.152 1.00 17.63 C ATOM 1433 CD2 TYR A 97 39.339 4.428 35.016 1.00 19.17 C ATOM 1434 CE1 TYR A 97 40.347 2.405 36.626 1.00 18.01 C ATOM 1435 CE2 TYR A 97 40.208 3.489 34.478 1.00 19.30 C ATOM 1436 CZ TYR A 97 40.706 2.482 35.292 1.00 17.33 C ATOM 1437 OH TYR A 97 41.557 1.540 34.767 1.00 18.82 O ATOM 1438 HA TYR A 97 39.617 7.039 37.076 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.513 5.900 36.154 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.411 4.970 37.667 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.941 5.218 34.379 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.496 3.542 33.428 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.744 1.610 37.257 1.00 0.00 H ATOM 1444 HD1 TYR A 97 39.190 3.282 38.201 1.00 0.00 H ATOM 1445 HH TYR A 97 41.100 1.056 34.034 1.00 0.00 H ATOM 1446 H TYR A 97 39.091 5.700 39.669 1.00 0.00 H ATOM 1447 N LYS A 98 37.619 8.541 37.102 1.00 24.58 N ATOM 1448 CA LYS A 98 36.646 9.631 37.179 1.00 26.74 C ATOM 1449 C LYS A 98 35.409 9.064 36.438 1.00 25.80 C ATOM 1450 O LYS A 98 35.535 8.539 35.333 1.00 25.86 O ATOM 1451 CB LYS A 98 37.215 10.863 36.451 1.00 30.11 C ATOM 1452 CG LYS A 98 36.232 11.976 36.136 1.00 35.18 C ATOM 1453 CD LYS A 98 35.594 12.545 37.396 1.00 40.53 C ATOM 1454 CE LYS A 98 34.760 13.797 37.080 1.00 43.30 C ATOM 1455 NZ LYS A 98 35.622 14.907 36.564 1.00 43.83 N ATOM 1456 HA LYS A 98 36.407 9.946 38.195 1.00 0.00 H ATOM 1457 HB2 LYS A 98 38.003 11.283 37.076 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.644 10.523 35.508 1.00 0.00 H ATOM 1459 HG2 LYS A 98 36.760 12.776 35.616 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.447 11.581 35.491 1.00 0.00 H ATOM 1461 HD2 LYS A 98 34.946 11.789 37.840 1.00 0.00 H ATOM 1462 HD3 LYS A 98 36.379 12.810 38.104 1.00 0.00 H ATOM 1463 HE2 LYS A 98 34.259 14.129 37.989 1.00 0.00 H ATOM 1464 HE3 LYS A 98 34.014 13.546 36.326 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 36.333 15.154 37.281 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 36.099 14.598 35.693 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 35.030 15.738 36.360 1.00 0.00 H ATOM 1468 H LYS A 98 38.176 8.454 36.228 1.00 0.00 H ATOM 1469 N THR A 99 34.252 9.090 37.088 1.00 24.74 N ATOM 1470 CA THR A 99 33.016 8.566 36.525 1.00 24.03 C ATOM 1471 C THR A 99 32.183 9.644 35.849 1.00 25.53 C ATOM 1472 O THR A 99 31.752 10.596 36.501 1.00 26.11 O ATOM 1473 CB THR A 99 32.183 7.924 37.633 1.00 24.25 C ATOM 1474 OG1 THR A 99 32.908 6.820 38.182 1.00 22.75 O ATOM 1475 CG2 THR A 99 30.823 7.451 37.109 1.00 21.46 C ATOM 1476 HA THR A 99 33.292 7.831 35.769 1.00 0.00 H ATOM 1477 HB THR A 99 31.997 8.670 38.405 1.00 0.00 H ATOM 1478 HG1 THR A 99 33.085 6.156 37.470 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.280 8.300 36.693 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.975 6.700 36.333 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.250 7.018 37.929 1.00 0.00 H ATOM 1482 H THR A 99 34.227 9.503 38.042 1.00 0.00 H ATOM 1483 N THR A 100 31.921 9.491 34.559 1.00 25.01 N ATOM 1484 CA THR A 100 31.131 10.486 33.853 1.00 26.41 C ATOM 1485 C THR A 100 29.953 9.929 33.075 1.00 24.04 C ATOM 1486 O THR A 100 30.114 9.136 32.162 1.00 22.54 O ATOM 1487 CB THR A 100 32.005 11.346 32.940 1.00 28.36 C ATOM 1488 OG1 THR A 100 32.890 12.134 33.753 1.00 35.01 O ATOM 1489 CG2 THR A 100 31.144 12.283 32.078 1.00 32.22 C ATOM 1490 HA THR A 100 30.702 11.104 34.642 1.00 0.00 H ATOM 1491 HB THR A 100 32.572 10.692 32.278 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.460 11.534 34.296 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.471 11.689 31.459 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.561 12.938 32.726 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.791 12.884 31.439 1.00 0.00 H ATOM 1496 H THR A 100 32.281 8.658 34.051 1.00 0.00 H ATOM 1497 N GLN A 101 28.767 10.375 33.467 1.00 22.85 N ATOM 1498 CA GLN A 101 27.512 9.966 32.863 1.00 22.44 C ATOM 1499 C GLN A 101 27.131 10.906 31.725 1.00 20.70 C ATOM 1500 O GLN A 101 27.344 12.119 31.803 1.00 20.39 O ATOM 1501 CB GLN A 101 26.416 9.954 33.934 1.00 24.36 C ATOM 1502 CG GLN A 101 24.987 9.741 33.423 1.00 26.48 C ATOM 1503 CD GLN A 101 24.780 8.408 32.734 1.00 27.28 C ATOM 1504 OE1 GLN A 101 23.972 8.290 31.809 1.00 28.52 O ATOM 1505 NE2 GLN A 101 25.491 7.387 33.196 1.00 27.44 N ATOM 1506 HA GLN A 101 27.625 8.964 32.449 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.643 9.152 34.637 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.446 10.911 34.455 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.305 9.800 34.271 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.752 10.535 32.714 1.00 0.00 H ATOM 1511 HE22 GLN A 101 26.161 7.532 33.978 1.00 0.00 H ATOM 1512 HE21 GLN A 101 25.378 6.442 32.776 1.00 0.00 H ATOM 1513 H GLN A 101 28.734 11.057 34.252 1.00 0.00 H ATOM 1514 N ALA A 102 26.565 10.344 30.668 1.00 19.48 N ATOM 1515 CA ALA A 102 26.152 11.149 29.524 1.00 18.83 C ATOM 1516 C ALA A 102 25.132 10.363 28.722 1.00 17.18 C ATOM 1517 O ALA A 102 24.896 9.188 28.993 1.00 16.16 O ATOM 1518 CB ALA A 102 27.370 11.503 28.647 1.00 18.40 C ATOM 1519 HA ALA A 102 25.707 12.082 29.871 1.00 0.00 H ATOM 1520 HB1 ALA A 102 28.090 12.069 29.238 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.835 10.586 28.286 1.00 0.00 H ATOM 1522 HB3 ALA A 102 27.043 12.104 27.798 1.00 0.00 H ATOM 1523 H ALA A 102 26.413 9.315 30.653 1.00 0.00 H ATOM 1524 N ASN A 103 24.454 11.059 27.816 1.00 17.29 N ATOM 1525 CA ASN A 103 23.477 10.451 26.924 1.00 17.51 C ATOM 1526 C ASN A 103 23.963 10.789 25.533 1.00 16.47 C ATOM 1527 O ASN A 103 23.830 11.922 25.073 1.00 18.10 O ATOM 1528 CB ASN A 103 22.077 11.010 27.145 1.00 19.61 C ATOM 1529 CG ASN A 103 21.417 10.420 28.352 1.00 22.39 C ATOM 1530 OD1 ASN A 103 20.881 9.310 28.310 1.00 24.47 O ATOM 1531 ND2 ASN A 103 21.475 11.139 29.455 1.00 27.67 N ATOM 1532 HA ASN A 103 23.399 9.378 27.097 1.00 0.00 H ATOM 1533 HB2 ASN A 103 22.146 12.090 27.275 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.468 10.789 26.268 1.00 0.00 H ATOM 1535 HD22 ASN A 103 21.937 12.071 29.445 1.00 0.00 H ATOM 1536 HD21 ASN A 103 21.059 10.775 30.336 1.00 0.00 H ATOM 1537 H ASN A 103 24.629 12.081 27.741 1.00 0.00 H ATOM 1538 N LYS A 104 24.571 9.818 24.876 1.00 15.13 N ATOM 1539 CA LYS A 104 25.118 10.053 23.557 1.00 16.03 C ATOM 1540 C LYS A 104 24.820 8.880 22.646 1.00 15.46 C ATOM 1541 O LYS A 104 24.293 7.858 23.089 1.00 14.44 O ATOM 1542 CB LYS A 104 26.636 10.200 23.658 1.00 18.60 C ATOM 1543 CG LYS A 104 27.125 11.342 24.521 1.00 22.69 C ATOM 1544 CD LYS A 104 28.619 11.470 24.377 1.00 27.18 C ATOM 1545 CE LYS A 104 29.141 12.775 24.968 1.00 31.54 C ATOM 1546 NZ LYS A 104 30.579 12.993 24.578 1.00 35.83 N ATOM 1547 HA LYS A 104 24.667 10.959 23.152 1.00 0.00 H ATOM 1548 HB2 LYS A 104 27.037 9.273 24.069 1.00 0.00 H ATOM 1549 HB3 LYS A 104 27.027 10.349 22.651 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.647 12.269 24.204 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.875 11.144 25.563 1.00 0.00 H ATOM 1552 HD2 LYS A 104 29.095 10.635 24.891 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.875 11.436 23.318 1.00 0.00 H ATOM 1554 HE2 LYS A 104 29.066 12.732 26.055 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.539 13.604 24.596 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 31.157 12.205 24.934 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.653 13.038 23.542 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.917 13.886 24.990 1.00 0.00 H ATOM 1559 H LYS A 104 24.657 8.877 25.310 1.00 0.00 H ATOM 1560 N HIS A 105 25.124 9.054 21.361 1.00 14.09 N ATOM 1561 CA HIS A 105 24.957 7.988 20.390 1.00 13.77 C ATOM 1562 C HIS A 105 26.195 7.132 20.493 1.00 12.56 C ATOM 1563 O HIS A 105 27.299 7.649 20.659 1.00 14.02 O ATOM 1564 CB HIS A 105 24.878 8.545 18.976 1.00 15.41 C ATOM 1565 CG HIS A 105 23.750 9.499 18.784 1.00 17.19 C ATOM 1566 ND1 HIS A 105 22.541 9.122 18.241 1.00 16.80 N ATOM 1567 CD2 HIS A 105 23.634 10.809 19.097 1.00 18.82 C ATOM 1568 CE1 HIS A 105 21.726 10.159 18.226 1.00 17.09 C ATOM 1569 NE2 HIS A 105 22.364 11.195 18.740 1.00 20.83 N ATOM 1570 HA HIS A 105 24.039 7.435 20.589 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.811 9.062 18.754 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.751 7.714 18.282 1.00 0.00 H ATOM 1573 HD2 HIS A 105 24.401 11.439 19.547 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.702 10.161 17.853 1.00 0.00 H ATOM 1575 H HIS A 105 25.490 9.975 21.046 1.00 0.00 H ATOM 1576 N ILE A 106 26.014 5.821 20.456 1.00 11.72 N ATOM 1577 CA ILE A 106 27.167 4.938 20.528 1.00 11.12 C ATOM 1578 C ILE A 106 27.512 4.407 19.137 1.00 8.86 C ATOM 1579 O ILE A 106 26.654 4.333 18.248 1.00 8.38 O ATOM 1580 CB ILE A 106 26.961 3.711 21.516 1.00 11.24 C ATOM 1581 CG1 ILE A 106 25.909 2.734 20.981 1.00 10.36 C ATOM 1582 CG2 ILE A 106 26.598 4.211 22.931 1.00 11.61 C ATOM 1583 CD1 ILE A 106 25.900 1.398 21.698 1.00 10.46 C ATOM 1584 HA ILE A 106 27.985 5.540 20.924 1.00 0.00 H ATOM 1585 HB ILE A 106 27.903 3.166 21.581 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.926 3.191 21.092 1.00 0.00 H ATOM 1587 HG13 ILE A 106 26.109 2.557 19.924 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.874 0.921 21.587 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.690 1.556 22.756 1.00 0.00 H ATOM 1590 HD13 ILE A 106 25.130 0.760 21.265 1.00 0.00 H ATOM 1591 HG21 ILE A 106 27.403 4.840 23.310 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.675 4.788 22.885 1.00 0.00 H ATOM 1593 HG23 ILE A 106 26.461 3.356 23.593 1.00 0.00 H ATOM 1594 H ILE A 106 25.055 5.426 20.376 1.00 0.00 H ATOM 1595 N ILE A 107 28.787 4.079 18.963 1.00 9.16 N ATOM 1596 CA ILE A 107 29.286 3.500 17.723 1.00 8.62 C ATOM 1597 C ILE A 107 30.021 2.209 18.131 1.00 10.40 C ATOM 1598 O ILE A 107 30.951 2.242 18.947 1.00 9.28 O ATOM 1599 CB ILE A 107 30.263 4.457 16.985 1.00 6.82 C ATOM 1600 CG1 ILE A 107 29.550 5.757 16.607 1.00 8.74 C ATOM 1601 CG2 ILE A 107 30.803 3.784 15.721 1.00 8.20 C ATOM 1602 CD1 ILE A 107 30.445 6.797 15.944 1.00 9.44 C ATOM 1603 HA ILE A 107 28.464 3.311 17.032 1.00 0.00 H ATOM 1604 HB ILE A 107 31.092 4.687 17.654 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.741 5.514 15.918 1.00 0.00 H ATOM 1606 HG13 ILE A 107 29.134 6.194 17.515 1.00 0.00 H ATOM 1607 HD11 ILE A 107 31.255 7.064 16.623 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.861 6.384 15.025 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.857 7.685 15.711 1.00 0.00 H ATOM 1610 HG21 ILE A 107 31.333 2.872 15.995 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.973 3.539 15.059 1.00 0.00 H ATOM 1612 HG23 ILE A 107 31.486 4.464 15.212 1.00 0.00 H ATOM 1613 H ILE A 107 29.456 4.242 19.743 1.00 0.00 H ATOM 1614 N VAL A 108 29.568 1.080 17.600 1.00 8.85 N ATOM 1615 CA VAL A 108 30.174 -0.218 17.893 1.00 9.40 C ATOM 1616 C VAL A 108 30.547 -0.919 16.578 1.00 8.94 C ATOM 1617 O VAL A 108 30.062 -0.534 15.520 1.00 10.96 O ATOM 1618 CB VAL A 108 29.175 -1.131 18.701 1.00 8.99 C ATOM 1619 CG1 VAL A 108 28.850 -0.489 20.049 1.00 8.47 C ATOM 1620 CG2 VAL A 108 27.869 -1.350 17.911 1.00 7.74 C ATOM 1621 HA VAL A 108 31.067 -0.054 18.496 1.00 0.00 H ATOM 1622 HB VAL A 108 29.655 -2.097 18.862 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.769 -0.368 20.623 1.00 0.00 H ATOM 1624 HG12 VAL A 108 28.391 0.486 19.884 1.00 0.00 H ATOM 1625 HG13 VAL A 108 28.159 -1.129 20.598 1.00 0.00 H ATOM 1626 HG21 VAL A 108 27.393 -0.387 17.725 1.00 0.00 H ATOM 1627 HG22 VAL A 108 28.097 -1.834 16.961 1.00 0.00 H ATOM 1628 HG23 VAL A 108 27.197 -1.983 18.491 1.00 0.00 H ATOM 1629 H VAL A 108 28.754 1.120 16.954 1.00 0.00 H ATOM 1630 N ALA A 109 31.499 -1.844 16.638 1.00 9.42 N ATOM 1631 CA ALA A 109 31.892 -2.652 15.471 1.00 8.69 C ATOM 1632 C ALA A 109 31.184 -4.000 15.692 1.00 10.66 C ATOM 1633 O ALA A 109 31.129 -4.509 16.829 1.00 11.95 O ATOM 1634 CB ALA A 109 33.386 -2.860 15.441 1.00 8.94 C ATOM 1635 HA ALA A 109 31.621 -2.174 14.530 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.885 -1.893 15.383 1.00 0.00 H ATOM 1637 HB2 ALA A 109 33.698 -3.378 16.348 1.00 0.00 H ATOM 1638 HB3 ALA A 109 33.651 -3.459 14.570 1.00 0.00 H ATOM 1639 H ALA A 109 31.985 -2.004 17.543 1.00 0.00 H ATOM 1640 N CYS A 110 30.633 -4.575 14.637 1.00 9.41 N ATOM 1641 CA CYS A 110 29.922 -5.835 14.755 1.00 9.82 C ATOM 1642 C CYS A 110 30.536 -6.859 13.846 1.00 10.27 C ATOM 1643 O CYS A 110 31.096 -6.515 12.813 1.00 10.51 O ATOM 1644 CB CYS A 110 28.464 -5.653 14.367 1.00 9.82 C ATOM 1645 SG CYS A 110 27.640 -4.376 15.348 1.00 11.36 S ATOM 1646 HA CYS A 110 29.988 -6.170 15.790 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.942 -6.599 14.514 1.00 0.00 H ATOM 1648 HB3 CYS A 110 28.414 -5.372 13.315 1.00 0.00 H ATOM 1649 H CYS A 110 30.710 -4.117 13.707 1.00 0.00 H ATOM 1650 N GLU A 111 30.443 -8.117 14.248 1.00 11.20 N ATOM 1651 CA GLU A 111 30.986 -9.229 13.481 1.00 12.72 C ATOM 1652 C GLU A 111 30.210 -10.484 13.792 1.00 14.01 C ATOM 1653 O GLU A 111 29.506 -10.558 14.810 1.00 13.58 O ATOM 1654 CB GLU A 111 32.438 -9.539 13.879 1.00 13.07 C ATOM 1655 CG GLU A 111 33.472 -8.511 13.520 1.00 16.02 C ATOM 1656 CD GLU A 111 34.872 -9.080 13.638 1.00 20.05 C ATOM 1657 OE1 GLU A 111 35.355 -9.307 14.764 1.00 21.45 O ATOM 1658 OE2 GLU A 111 35.482 -9.344 12.590 1.00 25.00 O ATOM 1659 HA GLU A 111 30.926 -8.943 12.431 1.00 0.00 H ATOM 1660 HB2 GLU A 111 32.463 -9.669 14.961 1.00 0.00 H ATOM 1661 HB3 GLU A 111 32.720 -10.474 13.395 1.00 0.00 H ATOM 1662 HG2 GLU A 111 33.306 -8.182 12.494 1.00 0.00 H ATOM 1663 HG3 GLU A 111 33.376 -7.659 14.193 1.00 0.00 H ATOM 1664 H GLU A 111 29.963 -8.319 15.148 1.00 0.00 H ATOM 1665 N GLY A 112 30.387 -11.470 12.919 1.00 12.86 N ATOM 1666 CA GLY A 112 29.801 -12.784 13.100 1.00 15.89 C ATOM 1667 C GLY A 112 28.373 -13.058 12.719 1.00 15.66 C ATOM 1668 O GLY A 112 27.695 -12.257 12.080 1.00 15.49 O ATOM 1669 HA3 GLY A 112 29.889 -13.018 14.161 1.00 0.00 H ATOM 1670 HA2 GLY A 112 30.413 -13.478 12.524 1.00 0.00 H ATOM 1671 H GLY A 112 30.967 -11.293 12.074 1.00 0.00 H ATOM 1672 N ASN A 113 27.963 -14.280 13.027 1.00 19.47 N ATOM 1673 CA ASN A 113 26.594 -14.719 12.799 1.00 23.32 C ATOM 1674 C ASN A 113 26.128 -15.489 14.041 1.00 24.59 C ATOM 1675 O ASN A 113 26.630 -16.577 14.331 1.00 27.77 O ATOM 1676 CB ASN A 113 26.460 -15.612 11.574 1.00 26.26 C ATOM 1677 CG ASN A 113 25.100 -16.264 11.517 1.00 30.14 C ATOM 1678 OD1 ASN A 113 24.110 -15.613 11.199 1.00 33.39 O ATOM 1679 ND2 ASN A 113 25.024 -17.519 11.939 1.00 34.30 N ATOM 1680 HA ASN A 113 25.979 -13.837 12.618 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.603 -15.009 10.677 1.00 0.00 H ATOM 1682 HB3 ASN A 113 27.225 -16.388 11.614 1.00 0.00 H ATOM 1683 HD22 ASN A 113 25.890 -18.034 12.198 1.00 0.00 H ATOM 1684 HD21 ASN A 113 24.099 -17.988 12.011 1.00 0.00 H ATOM 1685 H ASN A 113 28.642 -14.947 13.446 1.00 0.00 H ATOM 1686 N PRO A 114 25.169 -14.935 14.793 1.00 23.41 N ATOM 1687 CA PRO A 114 24.525 -13.651 14.524 1.00 21.54 C ATOM 1688 C PRO A 114 25.495 -12.473 14.584 1.00 18.24 C ATOM 1689 O PRO A 114 26.569 -12.563 15.195 1.00 17.35 O ATOM 1690 CB PRO A 114 23.459 -13.579 15.617 1.00 23.11 C ATOM 1691 CG PRO A 114 24.105 -14.300 16.751 1.00 22.75 C ATOM 1692 CD PRO A 114 24.710 -15.495 16.077 1.00 23.70 C ATOM 1693 HA PRO A 114 24.118 -13.586 13.515 1.00 0.00 H ATOM 1694 HD3 PRO A 114 25.544 -15.894 16.654 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.969 -16.279 15.923 1.00 0.00 H ATOM 1696 HG3 PRO A 114 23.369 -14.599 17.497 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.871 -13.685 17.224 1.00 0.00 H ATOM 1698 HB2 PRO A 114 23.237 -12.545 15.883 1.00 0.00 H ATOM 1699 HB3 PRO A 114 22.541 -14.078 15.305 1.00 0.00 H ATOM 1700 N TYR A 115 25.131 -11.415 13.870 1.00 15.69 N ATOM 1701 CA TYR A 115 25.915 -10.187 13.781 1.00 14.47 C ATOM 1702 C TYR A 115 25.742 -9.417 15.102 1.00 12.73 C ATOM 1703 O TYR A 115 24.710 -8.779 15.328 1.00 14.19 O ATOM 1704 CB TYR A 115 25.395 -9.366 12.598 1.00 11.91 C ATOM 1705 CG TYR A 115 26.383 -8.382 12.029 1.00 9.70 C ATOM 1706 CD1 TYR A 115 27.674 -8.785 11.676 1.00 9.77 C ATOM 1707 CD2 TYR A 115 26.002 -7.070 11.761 1.00 10.12 C ATOM 1708 CE1 TYR A 115 28.544 -7.917 11.061 1.00 9.02 C ATOM 1709 CE2 TYR A 115 26.868 -6.189 11.150 1.00 8.19 C ATOM 1710 CZ TYR A 115 28.135 -6.621 10.799 1.00 10.56 C ATOM 1711 OH TYR A 115 28.991 -5.771 10.162 1.00 10.76 O ATOM 1712 HA TYR A 115 26.973 -10.396 13.624 1.00 0.00 H ATOM 1713 HB3 TYR A 115 24.517 -8.812 12.929 1.00 0.00 H ATOM 1714 HB2 TYR A 115 25.109 -10.057 11.805 1.00 0.00 H ATOM 1715 HD2 TYR A 115 25.003 -6.734 12.039 1.00 0.00 H ATOM 1716 HE2 TYR A 115 26.559 -5.164 10.946 1.00 0.00 H ATOM 1717 HE1 TYR A 115 29.545 -8.246 10.783 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.996 -9.804 11.892 1.00 0.00 H ATOM 1719 HH TYR A 115 28.589 -5.481 9.305 1.00 0.00 H ATOM 1720 H TYR A 115 24.235 -11.464 13.344 1.00 0.00 H ATOM 1721 N VAL A 116 26.776 -9.435 15.937 1.00 11.82 N ATOM 1722 CA VAL A 116 26.706 -8.819 17.255 1.00 11.99 C ATOM 1723 C VAL A 116 27.861 -7.885 17.540 1.00 11.34 C ATOM 1724 O VAL A 116 28.917 -7.964 16.906 1.00 9.79 O ATOM 1725 CB VAL A 116 26.638 -9.925 18.404 1.00 12.55 C ATOM 1726 CG1 VAL A 116 25.354 -10.751 18.277 1.00 13.07 C ATOM 1727 CG2 VAL A 116 27.861 -10.837 18.352 1.00 12.96 C ATOM 1728 HA VAL A 116 25.791 -8.226 17.251 1.00 0.00 H ATOM 1729 HB VAL A 116 26.631 -9.414 19.367 1.00 0.00 H ATOM 1730 HG11 VAL A 116 24.490 -10.093 18.366 1.00 0.00 H ATOM 1731 HG12 VAL A 116 25.337 -11.246 17.306 1.00 0.00 H ATOM 1732 HG13 VAL A 116 25.325 -11.500 19.069 1.00 0.00 H ATOM 1733 HG21 VAL A 116 27.899 -11.337 17.384 1.00 0.00 H ATOM 1734 HG22 VAL A 116 28.763 -10.241 18.490 1.00 0.00 H ATOM 1735 HG23 VAL A 116 27.791 -11.582 19.145 1.00 0.00 H ATOM 1736 H VAL A 116 27.658 -9.901 15.642 1.00 0.00 H ATOM 1737 N PRO A 117 27.678 -6.992 18.526 1.00 11.04 N ATOM 1738 CA PRO A 117 28.736 -6.047 18.876 1.00 10.22 C ATOM 1739 C PRO A 117 29.960 -6.744 19.481 1.00 11.27 C ATOM 1740 O PRO A 117 29.829 -7.613 20.348 1.00 11.57 O ATOM 1741 CB PRO A 117 28.046 -5.130 19.902 1.00 13.23 C ATOM 1742 CG PRO A 117 26.568 -5.296 19.620 1.00 11.29 C ATOM 1743 CD PRO A 117 26.454 -6.748 19.316 1.00 10.61 C ATOM 1744 HA PRO A 117 29.130 -5.514 18.010 1.00 0.00 H ATOM 1745 HD3 PRO A 117 26.445 -7.345 20.228 1.00 0.00 H ATOM 1746 HD2 PRO A 117 25.557 -6.962 18.734 1.00 0.00 H ATOM 1747 HG3 PRO A 117 26.260 -4.690 18.768 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.969 -5.028 20.490 1.00 0.00 H ATOM 1749 HB2 PRO A 117 28.282 -5.442 20.919 1.00 0.00 H ATOM 1750 HB3 PRO A 117 28.352 -4.093 19.761 1.00 0.00 H ATOM 1751 N VAL A 118 31.148 -6.380 19.018 1.00 10.45 N ATOM 1752 CA VAL A 118 32.375 -6.961 19.568 1.00 10.34 C ATOM 1753 C VAL A 118 33.380 -5.904 20.031 1.00 10.78 C ATOM 1754 O VAL A 118 34.369 -6.216 20.698 1.00 11.54 O ATOM 1755 CB VAL A 118 33.083 -7.952 18.563 1.00 11.01 C ATOM 1756 CG1 VAL A 118 32.165 -9.124 18.232 1.00 10.90 C ATOM 1757 CG2 VAL A 118 33.552 -7.233 17.283 1.00 11.87 C ATOM 1758 HA VAL A 118 32.046 -7.526 20.440 1.00 0.00 H ATOM 1759 HB VAL A 118 33.975 -8.341 19.054 1.00 0.00 H ATOM 1760 HG11 VAL A 118 31.921 -9.662 19.148 1.00 0.00 H ATOM 1761 HG12 VAL A 118 31.250 -8.749 17.774 1.00 0.00 H ATOM 1762 HG13 VAL A 118 32.671 -9.795 17.538 1.00 0.00 H ATOM 1763 HG21 VAL A 118 32.692 -6.792 16.780 1.00 0.00 H ATOM 1764 HG22 VAL A 118 34.261 -6.449 17.547 1.00 0.00 H ATOM 1765 HG23 VAL A 118 34.033 -7.952 16.620 1.00 0.00 H ATOM 1766 H VAL A 118 31.209 -5.675 18.256 1.00 0.00 H ATOM 1767 N HIS A 119 33.097 -4.644 19.744 1.00 9.90 N ATOM 1768 CA HIS A 119 34.031 -3.586 20.081 1.00 11.15 C ATOM 1769 C HIS A 119 33.292 -2.267 20.214 1.00 10.36 C ATOM 1770 O HIS A 119 32.336 -2.006 19.481 1.00 11.13 O ATOM 1771 CB HIS A 119 35.104 -3.535 18.973 1.00 12.21 C ATOM 1772 CG HIS A 119 35.749 -2.197 18.779 1.00 14.64 C ATOM 1773 ND1 HIS A 119 36.813 -1.768 19.542 1.00 16.30 N ATOM 1774 CD2 HIS A 119 35.509 -1.205 17.882 1.00 14.00 C ATOM 1775 CE1 HIS A 119 37.202 -0.574 19.131 1.00 16.90 C ATOM 1776 NE2 HIS A 119 36.427 -0.212 18.124 1.00 14.48 N ATOM 1777 HA HIS A 119 34.514 -3.778 21.039 1.00 0.00 H ATOM 1778 HB2 HIS A 119 35.884 -4.254 19.224 1.00 0.00 H ATOM 1779 HB3 HIS A 119 34.634 -3.824 18.033 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.734 -1.198 17.115 1.00 0.00 H ATOM 1781 HE1 HIS A 119 38.021 0.011 19.550 1.00 0.00 H ATOM 1782 H HIS A 119 32.199 -4.410 19.274 1.00 0.00 H ATOM 1783 N PHE A 120 33.689 -1.467 21.194 1.00 9.65 N ATOM 1784 CA PHE A 120 33.072 -0.161 21.398 1.00 8.98 C ATOM 1785 C PHE A 120 34.028 0.826 20.726 1.00 7.88 C ATOM 1786 O PHE A 120 35.190 0.938 21.103 1.00 8.65 O ATOM 1787 CB PHE A 120 32.914 0.162 22.903 1.00 10.32 C ATOM 1788 CG PHE A 120 32.080 1.392 23.165 1.00 10.22 C ATOM 1789 CD1 PHE A 120 32.665 2.659 23.185 1.00 10.62 C ATOM 1790 CD2 PHE A 120 30.694 1.288 23.290 1.00 12.44 C ATOM 1791 CE1 PHE A 120 31.878 3.794 23.314 1.00 10.95 C ATOM 1792 CE2 PHE A 120 29.900 2.422 23.424 1.00 12.05 C ATOM 1793 CZ PHE A 120 30.489 3.672 23.433 1.00 11.38 C ATOM 1794 HA PHE A 120 32.066 -0.117 20.980 1.00 0.00 H ATOM 1795 HB2 PHE A 120 32.439 -0.689 23.392 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.905 0.318 23.330 1.00 0.00 H ATOM 1797 HD2 PHE A 120 30.227 0.303 23.283 1.00 0.00 H ATOM 1798 HE2 PHE A 120 28.819 2.325 23.521 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.871 4.564 23.533 1.00 0.00 H ATOM 1800 HE1 PHE A 120 32.341 4.781 23.323 1.00 0.00 H ATOM 1801 HD1 PHE A 120 33.747 2.757 23.099 1.00 0.00 H ATOM 1802 H PHE A 120 34.453 -1.776 21.828 1.00 0.00 H ATOM 1803 N ASP A 121 33.542 1.541 19.720 1.00 9.23 N ATOM 1804 CA ASP A 121 34.409 2.458 18.997 1.00 8.50 C ATOM 1805 C ASP A 121 34.425 3.890 19.503 1.00 9.13 C ATOM 1806 O ASP A 121 35.491 4.479 19.669 1.00 10.76 O ATOM 1807 CB ASP A 121 34.049 2.433 17.505 1.00 8.84 C ATOM 1808 CG ASP A 121 35.218 2.744 16.624 1.00 11.27 C ATOM 1809 OD1 ASP A 121 36.275 2.110 16.775 1.00 11.62 O ATOM 1810 OD2 ASP A 121 35.080 3.608 15.752 1.00 11.53 O ATOM 1811 HA ASP A 121 35.421 2.093 19.172 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.676 1.440 17.253 1.00 0.00 H ATOM 1813 HB3 ASP A 121 33.268 3.171 17.322 1.00 0.00 H ATOM 1814 H ASP A 121 32.543 1.446 19.449 1.00 0.00 H ATOM 1815 N ALA A 122 33.247 4.453 19.743 1.00 10.04 N ATOM 1816 CA ALA A 122 33.159 5.837 20.190 1.00 11.39 C ATOM 1817 C ALA A 122 31.742 6.193 20.557 1.00 10.83 C ATOM 1818 O ALA A 122 30.833 5.410 20.354 1.00 12.14 O ATOM 1819 CB ALA A 122 33.617 6.750 19.062 1.00 10.15 C ATOM 1820 HA ALA A 122 33.792 5.961 21.069 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.648 6.512 18.799 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.976 6.602 18.193 1.00 0.00 H ATOM 1823 HB3 ALA A 122 33.554 7.788 19.388 1.00 0.00 H ATOM 1824 H ALA A 122 32.377 3.900 19.610 1.00 0.00 H ATOM 1825 N SER A 123 31.564 7.371 21.132 1.00 13.15 N ATOM 1826 CA SER A 123 30.233 7.867 21.453 1.00 15.46 C ATOM 1827 C SER A 123 30.262 9.286 20.902 1.00 16.08 C ATOM 1828 O SER A 123 31.296 9.961 20.978 1.00 18.10 O ATOM 1829 CB SER A 123 29.958 7.872 22.957 1.00 14.40 C ATOM 1830 OG SER A 123 30.789 8.821 23.595 1.00 18.99 O ATOM 1831 HA SER A 123 29.444 7.244 21.032 1.00 0.00 H ATOM 1832 HB2 SER A 123 30.160 6.882 23.365 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.914 8.130 23.133 1.00 0.00 H ATOM 1834 HG SER A 123 30.605 8.818 24.568 1.00 0.00 H ATOM 1835 H SER A 123 32.393 7.956 21.360 1.00 0.00 H ATOM 1836 N VAL A 124 29.143 9.733 20.352 1.00 17.02 N ATOM 1837 CA VAL A 124 29.053 11.054 19.747 1.00 19.00 C ATOM 1838 C VAL A 124 27.717 11.716 20.066 1.00 18.64 C ATOM 1839 O VAL A 124 26.744 11.005 20.381 1.00 17.99 O ATOM 1840 CB VAL A 124 29.234 10.981 18.192 1.00 20.56 C ATOM 1841 CG1 VAL A 124 30.606 10.408 17.840 1.00 23.00 C ATOM 1842 CG2 VAL A 124 28.143 10.116 17.555 1.00 22.08 C ATOM 1843 HA VAL A 124 29.859 11.653 20.171 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.661 12.956 19.992 1.00 22.31 O ATOM 1845 HB VAL A 124 29.155 11.995 17.800 1.00 0.00 H ATOM 1846 HG11 VAL A 124 31.384 11.047 18.258 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.697 9.404 18.255 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.713 10.365 16.756 1.00 0.00 H ATOM 1849 HG21 VAL A 124 28.197 9.107 17.963 1.00 0.00 H ATOM 1850 HG22 VAL A 124 27.166 10.546 17.775 1.00 0.00 H ATOM 1851 HG23 VAL A 124 28.292 10.082 16.476 1.00 0.00 H ATOM 1852 H VAL A 124 28.302 9.121 20.352 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 26.730 -0.095 4.057 1.00 44.93 O HETATM 1855 O HOH 2 24.739 -1.631 6.274 1.00 31.43 O HETATM 1856 O HOH 3 26.612 -3.242 6.780 1.00 33.49 O HETATM 1857 O HOH 4 23.770 -4.481 9.473 1.00 28.38 O HETATM 1858 O HOH 5 23.183 -1.357 8.600 1.00 42.77 O HETATM 1859 O HOH 6 19.210 0.969 9.632 1.00 27.50 O HETATM 1860 O HOH 7 22.686 10.070 8.893 1.00 46.97 O HETATM 1861 O HOH 8 28.227 7.216 6.967 1.00 35.56 O HETATM 1862 O HOH 9 31.522 6.957 7.316 1.00 26.77 O HETATM 1863 O HOH 10 31.611 8.805 9.268 1.00 20.86 O HETATM 1864 O HOH 11 32.704 7.576 11.193 1.00 17.73 O HETATM 1865 O HOH 12 33.717 5.717 14.390 1.00 15.12 O HETATM 1866 O HOH 13 29.599 9.918 13.341 1.00 34.91 O HETATM 1867 O HOH 14 33.843 10.879 19.596 1.00 38.82 O HETATM 1868 O HOH 15 34.445 8.314 22.086 1.00 58.90 O HETATM 1869 O HOH 16 32.546 7.284 24.823 1.00 26.84 O HETATM 1870 O HOH 17 31.114 9.937 25.879 1.00 47.00 O HETATM 1871 O HOH 18 33.662 11.825 27.605 1.00 75.50 O HETATM 1872 O HOH 19 35.068 10.422 32.927 1.00 26.14 O HETATM 1873 O HOH 20 40.144 11.643 35.010 1.00 48.34 O HETATM 1874 O HOH 21 43.619 7.847 30.594 1.00 36.35 O HETATM 1875 O HOH 22 47.350 2.868 32.652 1.00 23.56 O HETATM 1876 O HOH 23 48.638 0.755 34.404 1.00 19.97 O HETATM 1877 O HOH 24 49.120 3.024 36.290 1.00 41.93 O HETATM 1878 O HOH 25 45.313 5.040 44.084 1.00 51.51 O HETATM 1879 O HOH 26 43.511 7.403 43.596 1.00 62.85 O HETATM 1880 O HOH 27 44.110 14.817 40.088 1.00 44.43 O HETATM 1881 O HOH 28 35.005 6.260 40.230 1.00 23.64 O HETATM 1882 O HOH 29 39.377 0.184 39.711 1.00 36.45 O HETATM 1883 O HOH 30 38.519 0.023 42.799 1.00 53.58 O HETATM 1884 O HOH 31 34.587 -3.175 43.096 1.00 30.91 O HETATM 1885 O HOH 32 36.444 -6.692 42.348 1.00 46.73 O HETATM 1886 O HOH 33 30.918 -3.929 41.111 1.00 48.77 O HETATM 1887 O HOH 34 30.986 -0.129 48.766 1.00 50.30 O HETATM 1888 O HOH 35 29.107 3.572 46.017 1.00 39.30 O HETATM 1889 O HOH 36 22.159 5.732 42.177 1.00 52.53 O HETATM 1890 O HOH 37 22.533 11.161 32.008 1.00 44.73 O HETATM 1891 O HOH 38 28.491 14.878 30.938 1.00 62.18 O HETATM 1892 O HOH 39 31.834 17.532 29.181 1.00 49.02 O HETATM 1893 O HOH 40 23.474 13.719 22.823 1.00 52.57 O HETATM 1894 O HOH 41 17.658 9.997 20.826 1.00 41.91 O HETATM 1895 O HOH 42 19.920 10.155 14.447 1.00 45.50 O HETATM 1896 O HOH 43 19.186 3.443 18.496 1.00 25.92 O HETATM 1897 O HOH 44 17.453 2.182 21.187 1.00 35.81 O HETATM 1898 O HOH 45 18.420 0.118 19.497 1.00 18.73 O HETATM 1899 O HOH 46 14.644 -0.706 21.083 1.00 57.85 O HETATM 1900 O HOH 47 17.881 -2.791 14.527 1.00 31.47 O HETATM 1901 O HOH 48 17.287 -5.706 16.565 1.00 60.00 O HETATM 1902 O HOH 49 18.130 -6.982 19.079 1.00 30.17 O HETATM 1903 O HOH 50 21.480 -12.725 18.975 1.00 56.08 O HETATM 1904 O HOH 51 25.982 -13.081 21.372 1.00 45.81 O HETATM 1905 O HOH 52 27.447 -15.009 19.568 1.00 44.28 O HETATM 1906 O HOH 53 28.334 -14.427 16.619 1.00 31.10 O HETATM 1907 O HOH 54 30.561 -12.259 17.212 1.00 26.64 O HETATM 1908 O HOH 55 31.892 -13.769 19.296 1.00 26.61 O HETATM 1909 O HOH 56 35.461 -15.037 19.628 1.00 37.16 O HETATM 1910 O HOH 57 37.229 -12.011 14.238 1.00 38.51 O HETATM 1911 O HOH 58 38.196 -8.354 14.454 1.00 44.42 O HETATM 1912 O HOH 59 34.819 -7.694 10.125 1.00 14.16 O HETATM 1913 O HOH 60 32.011 -7.438 9.937 1.00 8.88 O HETATM 1914 O HOH 61 25.953 -12.389 9.853 1.00 25.43 O HETATM 1915 O HOH 62 27.687 -19.259 10.884 1.00 59.36 O HETATM 1916 O HOH 63 23.836 1.864 7.289 1.00 31.39 O HETATM 1917 O HOH 64 25.800 4.982 6.044 1.00 52.90 O HETATM 1918 O HOH 65 28.412 3.665 4.906 1.00 43.69 O HETATM 1919 O HOH 66 41.524 -1.218 8.124 1.00 41.87 O HETATM 1920 O HOH 67 43.801 2.824 7.680 1.00 47.78 O HETATM 1921 O HOH 68 42.310 5.386 10.634 1.00 21.37 O HETATM 1922 O HOH 69 41.354 7.441 14.891 1.00 56.89 O HETATM 1923 O HOH 70 38.488 2.880 18.822 1.00 45.80 O HETATM 1924 O HOH 71 38.201 1.815 21.838 1.00 36.12 O HETATM 1925 O HOH 72 39.683 -0.415 23.576 1.00 62.12 O HETATM 1926 O HOH 73 35.326 2.067 25.699 1.00 16.93 O HETATM 1927 O HOH 74 34.862 4.924 24.850 1.00 58.91 O HETATM 1928 O HOH 75 34.661 -5.203 23.783 1.00 15.85 O HETATM 1929 O HOH 76 35.239 -8.007 22.491 1.00 21.61 O HETATM 1930 O HOH 77 28.059 -8.710 22.225 1.00 16.23 O HETATM 1931 O HOH 78 25.660 -10.140 22.387 1.00 24.11 O HETATM 1932 O HOH 79 23.747 -12.493 24.163 1.00 56.26 O HETATM 1933 O HOH 80 25.064 -12.831 25.750 1.00 60.46 O HETATM 1934 O HOH 81 25.123 -8.173 28.904 1.00 26.74 O HETATM 1935 O HOH 82 23.026 -6.764 29.388 1.00 22.94 O HETATM 1936 O HOH 83 24.670 -6.042 32.104 1.00 23.58 O HETATM 1937 O HOH 84 18.031 -2.414 31.190 1.00 42.59 O HETATM 1938 O HOH 85 15.253 -5.104 29.538 1.00 50.45 O HETATM 1939 O HOH 86 17.973 -8.214 26.225 1.00 30.56 O HETATM 1940 O HOH 87 17.242 -0.232 26.696 1.00 18.15 O HETATM 1941 O HOH 88 29.649 -17.166 25.332 1.00 54.12 O HETATM 1942 O HOH 89 32.623 -17.063 25.968 1.00 39.69 O HETATM 1943 O HOH 90 32.228 -13.817 29.833 1.00 48.21 O HETATM 1944 O HOH 91 37.201 -12.427 32.612 1.00 52.78 O HETATM 1945 O HOH 92 42.041 -7.755 28.595 1.00 73.22 O HETATM 1946 O HOH 93 38.237 0.950 15.154 1.00 14.47 O HETATM 1947 PB PAP A 94 37.096 -2.627 23.146 1.00 0.21 P HETATM 1948 O3A PAP A 94 37.713 -4.079 23.616 1.00 -0.15 O HETATM 1949 PA PAP A 94 38.898 -5.197 23.066 1.00 0.33 P HETATM 1950 O5' PAP A 94 38.135 -6.071 21.924 1.00 -0.24 O HETATM 1951 C5' PAP A 94 37.654 -5.460 20.743 1.00 0.11 C HETATM 1952 C4' PAP A 94 37.455 -6.578 19.762 1.00 0.12 C HETATM 1953 C3' PAP A 94 38.789 -7.185 19.248 1.00 0.15 C HETATM 1954 C2' PAP A 94 38.987 -6.400 17.957 1.00 0.14 C HETATM 1955 C1' PAP A 94 37.518 -6.460 17.494 1.00 0.20 C HETATM 1956 O4' PAP A 94 36.807 -5.990 18.629 1.00 -0.34 O HETATM 1957 N9 PAP A 94 37.123 -5.536 16.407 1.00 -0.19 N HETATM 1958 C4 PAP A 94 37.497 -4.192 16.142 1.00 0.16 C HETATM 1959 C5 PAP A 94 36.819 -3.850 14.977 1.00 0.10 C HETATM 1960 N7 PAP A 94 36.038 -4.963 14.529 1.00 -0.30 N HETATM 1961 C8 PAP A 94 36.262 -5.900 15.402 1.00 0.11 C HETATM 1962 H8 PAP A 94 35.806 -6.887 15.341 1.00 0.13 H HETATM 1963 C6 PAP A 94 36.992 -2.499 14.451 1.00 0.13 C HETATM 1964 N1 PAP A 94 37.797 -1.657 15.151 1.00 -0.27 N HETATM 1965 C2 PAP A 94 38.390 -2.130 16.257 1.00 0.05 C HETATM 1966 N3 PAP A 94 38.330 -3.348 16.848 1.00 -0.27 N HETATM 1967 H11 PAP A 94 39.027 -1.415 16.766 1.00 0.10 H HETATM 1968 N6 PAP A 94 36.447 -2.101 13.285 1.00 -0.32 N HETATM 1969 H9 PAP A 94 36.594 -1.138 12.950 1.00 0.18 H HETATM 1970 H10 PAP A 94 35.883 -2.760 12.729 1.00 0.18 H HETATM 1971 H7 PAP A 94 37.250 -7.492 17.222 1.00 0.10 H HETATM 1972 O2' PAP A 94 39.881 -7.097 17.061 1.00 -0.38 O HETATM 1973 H6 PAP A 94 39.628 -8.011 17.011 1.00 0.21 H HETATM 1974 H5 PAP A 94 39.343 -5.372 18.122 1.00 0.07 H HETATM 1975 O3' PAP A 94 38.603 -8.605 18.982 1.00 -0.27 O HETATM 1976 P PAP A 94 39.267 -9.784 20.024 1.00 0.20 P HETATM 1977 O3 PAP A 94 40.196 -9.056 20.941 1.00 -0.55 O HETATM 1978 O2 PAP A 94 39.976 -10.686 19.081 1.00 -0.55 O HETATM 1979 O1 PAP A 94 38.032 -10.345 20.626 1.00 -0.55 O HETATM 1980 H4 PAP A 94 39.619 -7.033 19.954 1.00 0.07 H HETATM 1981 H3 PAP A 94 36.835 -7.367 20.212 1.00 0.07 H HETATM 1982 H1 PAP A 94 38.389 -4.738 20.358 1.00 0.06 H HETATM 1983 H2 PAP A 94 36.701 -4.946 20.937 1.00 0.06 H HETATM 1984 O2A PAP A 94 40.090 -4.548 22.456 1.00 -0.56 O HETATM 1985 O1A PAP A 94 39.101 -6.102 24.236 1.00 -0.56 O HETATM 1986 O3B PAP A 94 37.790 -2.310 21.876 1.00 -0.59 O HETATM 1987 O2B PAP A 94 37.470 -1.708 24.274 1.00 -0.59 O HETATM 1988 O1B PAP A 94 35.645 -2.854 22.991 1.00 -0.59 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 1947 1948 1986 1987 1988 CONECT 1948 1947 1949 CONECT 1949 1948 1950 1984 1985 CONECT 1950 1949 1951 CONECT 1951 1950 1952 1982 1983 CONECT 1952 1951 1953 1956 1981 CONECT 1953 1952 1954 1975 1980 CONECT 1954 1953 1955 1972 1974 CONECT 1955 1954 1956 1957 1971 CONECT 1956 1952 1955 CONECT 1957 1955 1958 1961 CONECT 1958 1957 1959 1966 CONECT 1959 1958 1960 1963 CONECT 1960 1959 1961 CONECT 1961 1957 1960 1962 CONECT 1962 1961 CONECT 1963 1959 1964 1968 CONECT 1964 1963 1965 CONECT 1965 1964 1966 1967 CONECT 1966 1958 1965 CONECT 1967 1965 CONECT 1968 1963 1969 1970 CONECT 1969 1968 CONECT 1970 1968 CONECT 1971 1955 CONECT 1972 1954 1973 CONECT 1973 1972 CONECT 1974 1954 CONECT 1975 1953 1976 CONECT 1976 1975 1977 1978 1979 CONECT 1977 1976 CONECT 1978 1976 CONECT 1979 1976 CONECT 1980 1953 CONECT 1981 1952 CONECT 1982 1951 CONECT 1983 1951 CONECT 1984 1949 CONECT 1985 1949 CONECT 1986 1947 CONECT 1987 1947 CONECT 1988 1947 MASTER 0 0 0 0 0 0 0 0 1987 1 54 10 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1afk
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease a
Ligand Name
PAP
EC.Number
E.C.3.1.27.5
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=240nM
Release Year
1998
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v36 pp. 5578-88, 1997
Ligand Properties
Formula
C
1
0
H
1
9
N
5
O
1
3
P
3
Molecular Weight
510.205
Exact Mass
510.019
No. of atoms
50
No. of bonds
52
Polar Surface Area
329.38
LOGP Value
-6.15 (
Computed with XLOGP3
)
-2.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@H](OP(O)(O)O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(OP(O)(O)O)(O)O
InChI String
InChI=1S/C10H22N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16-24,29-31H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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