Browse entries in the PDBbind-CN Database
HEADER 6RSA_COMPLEX COMPND 6RSA_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 UVC A 125 21 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 17.062 26.480 -2.135 1.00 21.88 N ATOM 2 CA LYS A 1 17.341 25.206 -1.322 1.00 21.48 C ATOM 3 C LYS A 1 18.113 25.481 -0.046 1.00 18.83 C ATOM 4 O LYS A 1 18.657 26.604 0.158 1.00 18.50 O ATOM 5 CB LYS A 1 18.040 24.499 -2.442 1.00 22.67 C ATOM 6 CG LYS A 1 19.071 23.473 -2.691 1.00 23.92 C ATOM 7 CD LYS A 1 20.362 24.269 -2.950 1.00 25.39 C ATOM 8 CE LYS A 1 21.422 23.191 -3.141 1.00 26.94 C ATOM 9 NZ LYS A 1 22.814 23.741 -3.255 1.00 27.62 N ATOM 10 HA LYS A 1 16.519 24.649 -0.872 1.00 0.00 H ATOM 11 HB2 LYS A 1 17.193 24.080 -2.985 1.00 0.00 H ATOM 12 HB3 LYS A 1 18.446 25.343 -3.000 1.00 0.00 H ATOM 13 HG2 LYS A 1 19.187 22.825 -1.822 1.00 0.00 H ATOM 14 HG3 LYS A 1 18.811 22.869 -3.560 1.00 0.00 H ATOM 15 HD2 LYS A 1 20.267 24.883 -3.845 1.00 0.00 H ATOM 16 HD3 LYS A 1 20.604 24.905 -2.099 1.00 0.00 H ATOM 17 HE2 LYS A 1 21.193 22.637 -4.051 1.00 0.00 H ATOM 18 HE3 LYS A 1 21.386 22.515 -2.287 1.00 0.00 H ATOM 19 HZ1 LYS A 1 22.867 24.381 -4.073 1.00 0.00 H ATOM 20 HZ2 LYS A 1 23.051 24.264 -2.388 1.00 0.00 H ATOM 21 HZ3 LYS A 1 23.486 22.957 -3.383 1.00 0.00 H ATOM 22 HN3 LYS A 1 17.964 26.926 -2.398 1.00 0.00 H ATOM 23 HN2 LYS A 1 16.502 27.141 -1.560 1.00 0.00 H ATOM 24 HN1 LYS A 1 16.532 26.232 -2.995 1.00 0.00 H ATOM 25 N GLU A 2 18.285 24.508 0.865 1.00 16.12 N ATOM 26 CA GLU A 2 19.081 24.771 2.092 1.00 13.57 C ATOM 27 C GLU A 2 20.518 25.166 1.776 1.00 11.97 C ATOM 28 O GLU A 2 21.141 24.483 1.011 1.00 10.66 O ATOM 29 CB GLU A 2 19.158 23.542 2.953 1.00 13.29 C ATOM 30 CG GLU A 2 19.708 23.565 4.346 1.00 13.34 C ATOM 31 CD GLU A 2 19.661 22.118 4.838 1.00 14.27 C ATOM 32 OE1 GLU A 2 19.726 21.229 4.007 1.00 15.02 O ATOM 33 OE2 GLU A 2 19.466 22.003 6.047 1.00 14.78 O ATOM 34 HA GLU A 2 18.571 25.588 2.603 1.00 0.00 H ATOM 35 HB2 GLU A 2 18.138 23.167 3.037 1.00 0.00 H ATOM 36 HB3 GLU A 2 19.764 22.823 2.401 1.00 0.00 H ATOM 37 HG2 GLU A 2 20.734 23.932 4.343 1.00 0.00 H ATOM 38 HG3 GLU A 2 19.097 24.203 4.985 1.00 0.00 H ATOM 39 H GLU A 2 17.861 23.571 0.711 1.00 0.00 H ATOM 40 N THR A 3 20.938 26.223 2.449 1.00 11.57 N ATOM 41 CA THR A 3 22.300 26.722 2.370 1.00 12.01 C ATOM 42 C THR A 3 23.242 25.734 3.082 1.00 11.36 C ATOM 43 O THR A 3 22.895 24.903 3.899 1.00 10.46 O ATOM 44 CB THR A 3 22.420 28.076 3.117 1.00 12.54 C ATOM 45 OG1 THR A 3 22.061 28.030 4.484 1.00 13.05 O ATOM 46 CG2 THR A 3 21.423 29.103 2.472 1.00 12.66 C ATOM 47 HA THR A 3 22.562 26.840 1.318 1.00 0.00 H ATOM 48 HB THR A 3 23.472 28.350 3.036 1.00 0.00 H ATOM 49 HG1 THR A 3 22.166 28.930 4.882 1.00 0.00 H ATOM 50 HG23 THR A 3 21.637 29.195 1.407 1.00 0.00 H ATOM 51 HG21 THR A 3 20.401 28.750 2.609 1.00 0.00 H ATOM 52 HG22 THR A 3 21.541 30.074 2.953 1.00 0.00 H ATOM 53 H THR A 3 20.262 26.720 3.063 1.00 0.00 H ATOM 54 N ALA A 4 24.447 25.907 2.665 1.00 11.89 N ATOM 55 CA ALA A 4 25.540 25.079 3.215 1.00 11.27 C ATOM 56 C ALA A 4 25.632 25.443 4.695 1.00 11.31 C ATOM 57 O ALA A 4 25.852 24.543 5.542 1.00 12.43 O ATOM 58 CB ALA A 4 26.701 25.357 2.337 1.00 10.72 C ATOM 59 HA ALA A 4 25.426 23.995 3.210 1.00 0.00 H ATOM 60 HB1 ALA A 4 26.456 25.076 1.313 1.00 0.00 H ATOM 61 HB2 ALA A 4 26.939 26.420 2.377 1.00 0.00 H ATOM 62 HB3 ALA A 4 27.560 24.779 2.678 1.00 0.00 H ATOM 63 H ALA A 4 24.651 26.627 1.943 1.00 0.00 H ATOM 64 N ALA A 5 25.505 26.694 5.030 1.00 11.30 N ATOM 65 CA ALA A 5 25.603 27.036 6.458 1.00 11.83 C ATOM 66 C ALA A 5 24.447 26.439 7.247 1.00 12.55 C ATOM 67 O ALA A 5 24.755 25.949 8.401 1.00 13.86 O ATOM 68 CB ALA A 5 25.655 28.521 6.676 1.00 12.38 C ATOM 69 HA ALA A 5 26.537 26.606 6.820 1.00 0.00 H ATOM 70 HB1 ALA A 5 26.526 28.932 6.165 1.00 0.00 H ATOM 71 HB2 ALA A 5 24.749 28.978 6.276 1.00 0.00 H ATOM 72 HB3 ALA A 5 25.727 28.728 7.744 1.00 0.00 H ATOM 73 H ALA A 5 25.340 27.428 4.312 1.00 0.00 H ATOM 74 N ALA A 6 23.202 26.414 6.777 1.00 11.33 N ATOM 75 CA ALA A 6 22.084 25.842 7.455 1.00 9.70 C ATOM 76 C ALA A 6 22.260 24.337 7.436 1.00 10.70 C ATOM 77 O ALA A 6 21.781 23.789 8.437 1.00 11.94 O ATOM 78 CB ALA A 6 20.774 26.173 6.853 1.00 9.96 C ATOM 79 HA ALA A 6 22.068 26.257 8.463 1.00 0.00 H ATOM 80 HB1 ALA A 6 20.634 27.254 6.861 1.00 0.00 H ATOM 81 HB2 ALA A 6 20.745 25.810 5.826 1.00 0.00 H ATOM 82 HB3 ALA A 6 19.980 25.698 7.430 1.00 0.00 H ATOM 83 H ALA A 6 23.031 26.844 5.845 1.00 0.00 H ATOM 84 N LYS A 7 22.792 23.687 6.446 1.00 10.04 N ATOM 85 CA LYS A 7 23.051 22.261 6.410 1.00 10.87 C ATOM 86 C LYS A 7 24.052 21.902 7.498 1.00 8.99 C ATOM 87 O LYS A 7 23.797 20.868 8.140 1.00 8.74 O ATOM 88 CB LYS A 7 23.340 21.889 4.972 1.00 12.96 C ATOM 89 CG LYS A 7 23.672 20.406 4.902 1.00 15.07 C ATOM 90 CD LYS A 7 24.341 20.110 3.587 1.00 17.46 C ATOM 91 CE LYS A 7 25.141 18.821 3.793 1.00 19.42 C ATOM 92 NZ LYS A 7 24.834 17.741 2.824 1.00 20.79 N ATOM 93 HA LYS A 7 22.205 21.627 6.676 1.00 0.00 H ATOM 94 HB2 LYS A 7 22.464 22.097 4.357 1.00 0.00 H ATOM 95 HB3 LYS A 7 24.186 22.471 4.606 1.00 0.00 H ATOM 96 HG2 LYS A 7 24.343 20.143 5.720 1.00 0.00 H ATOM 97 HG3 LYS A 7 22.755 19.823 4.984 1.00 0.00 H ATOM 98 HD2 LYS A 7 23.594 19.970 2.806 1.00 0.00 H ATOM 99 HD3 LYS A 7 25.006 20.927 3.309 1.00 0.00 H ATOM 100 HE2 LYS A 7 24.932 18.448 4.796 1.00 0.00 H ATOM 101 HE3 LYS A 7 26.201 19.062 3.710 1.00 0.00 H ATOM 102 HZ1 LYS A 7 23.828 17.487 2.897 1.00 0.00 H ATOM 103 HZ2 LYS A 7 25.040 18.073 1.860 1.00 0.00 H ATOM 104 HZ3 LYS A 7 25.420 16.909 3.038 1.00 0.00 H ATOM 105 H LYS A 7 23.056 24.238 5.604 1.00 0.00 H ATOM 106 N PHE A 8 25.073 22.661 7.836 1.00 8.19 N ATOM 107 CA PHE A 8 26.036 22.471 8.899 1.00 8.35 C ATOM 108 C PHE A 8 25.330 22.382 10.270 1.00 9.33 C ATOM 109 O PHE A 8 25.630 21.551 11.137 1.00 8.61 O ATOM 110 CB PHE A 8 27.241 23.458 8.933 1.00 7.08 C ATOM 111 CG PHE A 8 28.237 23.234 9.997 1.00 7.18 C ATOM 112 CD1 PHE A 8 29.410 22.459 9.781 1.00 7.17 C ATOM 113 CD2 PHE A 8 28.048 23.742 11.298 1.00 6.55 C ATOM 114 CE1 PHE A 8 30.352 22.179 10.801 1.00 7.15 C ATOM 115 CE2 PHE A 8 28.909 23.463 12.311 1.00 5.84 C ATOM 116 CZ PHE A 8 30.060 22.704 12.061 1.00 6.61 C ATOM 117 HA PHE A 8 26.507 21.517 8.663 1.00 0.00 H ATOM 118 HB2 PHE A 8 27.756 23.387 7.975 1.00 0.00 H ATOM 119 HB3 PHE A 8 26.843 24.465 9.057 1.00 0.00 H ATOM 120 HD2 PHE A 8 27.185 24.378 11.497 1.00 0.00 H ATOM 121 HE2 PHE A 8 28.705 23.829 13.317 1.00 0.00 H ATOM 122 HZ PHE A 8 30.753 22.517 12.881 1.00 0.00 H ATOM 123 HE1 PHE A 8 31.250 21.590 10.614 1.00 0.00 H ATOM 124 HD1 PHE A 8 29.593 22.062 8.783 1.00 0.00 H ATOM 125 H PHE A 8 25.206 23.516 7.259 1.00 0.00 H ATOM 126 N GLU A 9 24.421 23.301 10.588 1.00 9.80 N ATOM 127 CA GLU A 9 23.678 23.385 11.785 1.00 11.79 C ATOM 128 C GLU A 9 22.734 22.187 11.971 1.00 10.93 C ATOM 129 O GLU A 9 22.555 21.656 13.095 1.00 10.90 O ATOM 130 CB GLU A 9 22.819 24.669 11.929 1.00 13.61 C ATOM 131 CG GLU A 9 23.547 25.869 12.500 1.00 16.41 C ATOM 132 CD GLU A 9 22.879 27.237 12.242 1.00 18.84 C ATOM 133 OE1 GLU A 9 23.601 28.214 11.776 1.00 21.28 O ATOM 134 OE2 GLU A 9 21.672 27.166 12.627 1.00 18.78 O ATOM 135 HA GLU A 9 24.453 23.399 12.551 1.00 0.00 H ATOM 136 HB2 GLU A 9 22.446 24.939 10.941 1.00 0.00 H ATOM 137 HB3 GLU A 9 21.978 24.441 12.584 1.00 0.00 H ATOM 138 HG2 GLU A 9 23.626 25.732 13.578 1.00 0.00 H ATOM 139 HG3 GLU A 9 24.546 25.895 12.064 1.00 0.00 H ATOM 140 H GLU A 9 24.238 24.037 9.877 1.00 0.00 H ATOM 141 N ARG A 10 22.115 21.757 10.881 1.00 9.38 N ATOM 142 CA ARG A 10 21.174 20.600 10.911 1.00 8.94 C ATOM 143 C ARG A 10 21.946 19.327 11.134 1.00 7.40 C ATOM 144 O ARG A 10 21.400 18.523 11.924 1.00 7.01 O ATOM 145 CB ARG A 10 20.288 20.542 9.614 1.00 8.48 C ATOM 146 CG ARG A 10 19.421 19.299 9.515 1.00 8.84 C ATOM 147 CD ARG A 10 18.555 19.078 8.280 1.00 8.88 C ATOM 148 NE ARG A 10 19.267 19.271 7.046 1.00 8.99 N ATOM 149 CZ ARG A 10 19.798 18.379 6.228 1.00 10.33 C ATOM 150 NH1 ARG A 10 19.640 17.090 6.540 1.00 11.89 N ATOM 151 NH2 ARG A 10 20.513 18.598 5.164 1.00 9.69 N ATOM 152 HA ARG A 10 20.482 20.728 11.743 1.00 0.00 H ATOM 153 HB2 ARG A 10 19.637 21.416 9.603 1.00 0.00 H ATOM 154 HB3 ARG A 10 20.947 20.571 8.746 1.00 0.00 H ATOM 155 HG2 ARG A 10 20.089 18.441 9.591 1.00 0.00 H ATOM 156 HG3 ARG A 10 18.750 19.312 10.374 1.00 0.00 H ATOM 157 HD2 ARG A 10 17.721 19.779 8.312 1.00 0.00 H ATOM 158 HD3 ARG A 10 18.172 18.058 8.303 1.00 0.00 H ATOM 159 HE ARG A 10 19.381 20.262 6.753 1.00 0.00 H ATOM 160 HH12 ARG A 10 20.041 16.353 5.925 1.00 0.00 H ATOM 161 HH11 ARG A 10 19.116 16.823 7.398 1.00 0.00 H ATOM 162 HH22 ARG A 10 20.872 17.798 4.605 1.00 0.00 H ATOM 163 HH21 ARG A 10 20.725 19.573 4.872 1.00 0.00 H ATOM 164 H ARG A 10 22.291 22.241 9.977 1.00 0.00 H ATOM 165 N GLN A 11 23.104 19.088 10.492 1.00 7.17 N ATOM 166 CA GLN A 11 23.871 17.891 10.630 1.00 7.89 C ATOM 167 C GLN A 11 24.738 17.758 11.888 1.00 8.05 C ATOM 168 O GLN A 11 25.012 16.617 12.322 1.00 7.55 O ATOM 169 CB GLN A 11 24.921 17.828 9.513 1.00 9.13 C ATOM 170 CG GLN A 11 24.085 17.750 8.223 1.00 11.55 C ATOM 171 CD GLN A 11 24.882 17.083 7.151 1.00 12.17 C ATOM 172 OE1 GLN A 11 24.593 16.071 6.608 1.00 14.84 O ATOM 173 NE2 GLN A 11 25.993 17.703 6.767 1.00 12.91 N ATOM 174 HA GLN A 11 23.099 17.122 10.635 1.00 0.00 H ATOM 175 HB2 GLN A 11 25.546 18.721 9.517 1.00 0.00 H ATOM 176 HB3 GLN A 11 25.551 16.945 9.621 1.00 0.00 H ATOM 177 HG2 GLN A 11 23.178 17.176 8.412 1.00 0.00 H ATOM 178 HG3 GLN A 11 23.816 18.757 7.903 1.00 0.00 H ATOM 179 HE22 GLN A 11 26.276 18.594 7.223 1.00 0.00 H ATOM 180 HE21 GLN A 11 26.580 17.297 6.010 1.00 0.00 H ATOM 181 H GLN A 11 23.465 19.824 9.852 1.00 0.00 H ATOM 182 N HIS A 12 25.230 18.898 12.317 1.00 7.41 N ATOM 183 CA HIS A 12 26.242 18.947 13.375 1.00 6.49 C ATOM 184 C HIS A 12 25.898 19.785 14.567 1.00 7.30 C ATOM 185 O HIS A 12 26.792 19.563 15.408 1.00 8.75 O ATOM 186 CB HIS A 12 27.603 19.373 12.834 1.00 5.77 C ATOM 187 CG HIS A 12 28.078 18.527 11.629 1.00 6.67 C ATOM 188 ND1 HIS A 12 28.510 17.230 11.720 1.00 6.48 N ATOM 189 CD2 HIS A 12 28.112 18.871 10.298 1.00 5.94 C ATOM 190 CE1 HIS A 12 28.905 16.852 10.538 1.00 6.34 C ATOM 191 NE2 HIS A 12 28.670 17.815 9.626 1.00 6.03 N ATOM 192 HA HIS A 12 26.278 17.918 13.734 1.00 0.00 H ATOM 193 HB2 HIS A 12 27.540 20.415 12.521 1.00 0.00 H ATOM 194 HB3 HIS A 12 28.338 19.279 13.634 1.00 0.00 H ATOM 195 HD2 HIS A 12 27.762 19.806 9.861 1.00 0.00 H ATOM 196 HE1 HIS A 12 29.363 15.888 10.317 1.00 0.00 H ATOM 197 H HIS A 12 24.893 19.787 11.895 1.00 0.00 H ATOM 198 N MET A 13 24.852 20.487 14.826 1.00 7.14 N ATOM 199 CA MET A 13 24.780 21.193 16.126 1.00 8.07 C ATOM 200 C MET A 13 23.841 20.639 17.135 1.00 8.06 C ATOM 201 O MET A 13 22.715 20.455 16.743 1.00 9.03 O ATOM 202 CB MET A 13 24.357 22.645 15.864 1.00 8.36 C ATOM 203 CG MET A 13 25.327 23.578 15.231 1.00 8.87 C ATOM 204 SD MET A 13 26.918 23.707 16.205 1.00 11.72 S ATOM 205 CE MET A 13 26.049 24.385 17.658 1.00 10.41 C ATOM 206 HA MET A 13 25.776 21.081 16.554 1.00 0.00 H ATOM 207 HB2 MET A 13 23.480 22.610 15.218 1.00 0.00 H ATOM 208 HB3 MET A 13 24.081 23.076 16.827 1.00 0.00 H ATOM 209 HG2 MET A 13 24.873 24.567 15.166 1.00 0.00 H ATOM 210 HG3 MET A 13 25.557 23.219 14.228 1.00 0.00 H ATOM 211 HE1 MET A 13 25.554 25.316 17.382 1.00 0.00 H ATOM 212 HE2 MET A 13 25.307 23.666 18.004 1.00 0.00 H ATOM 213 HE3 MET A 13 26.769 24.577 18.453 1.00 0.00 H ATOM 214 H MET A 13 24.075 20.557 14.139 1.00 0.00 H ATOM 215 N ASP A 14 24.175 20.401 18.377 1.00 8.83 N ATOM 216 CA ASP A 14 23.110 20.006 19.313 1.00 10.29 C ATOM 217 C ASP A 14 23.364 20.778 20.655 1.00 11.07 C ATOM 218 O ASP A 14 23.850 20.278 21.724 1.00 11.30 O ATOM 219 CB ASP A 14 22.896 18.523 19.457 1.00 10.48 C ATOM 220 CG ASP A 14 21.797 18.197 20.433 1.00 11.41 C ATOM 221 OD1 ASP A 14 20.884 18.974 20.612 1.00 13.32 O ATOM 222 OD2 ASP A 14 21.898 17.130 21.044 1.00 11.28 O ATOM 223 HA ASP A 14 22.143 20.298 18.903 1.00 0.00 H ATOM 224 HB2 ASP A 14 22.634 18.110 18.483 1.00 0.00 H ATOM 225 HB3 ASP A 14 23.822 18.067 19.806 1.00 0.00 H ATOM 226 H ASP A 14 25.162 20.488 18.693 1.00 0.00 H ATOM 227 N SER A 15 23.010 22.029 20.585 1.00 12.32 N ATOM 228 CA SER A 15 23.182 22.952 21.731 1.00 13.65 C ATOM 229 C SER A 15 22.309 22.639 22.868 1.00 14.05 C ATOM 230 O SER A 15 22.473 23.304 23.881 1.00 15.56 O ATOM 231 CB SER A 15 22.447 24.288 21.332 1.00 14.18 C ATOM 232 OG SER A 15 23.577 24.839 20.644 1.00 16.23 O ATOM 233 HA SER A 15 24.248 22.942 21.959 1.00 0.00 H ATOM 234 HB2 SER A 15 22.141 24.881 22.194 1.00 0.00 H ATOM 235 HB3 SER A 15 21.588 24.125 20.681 1.00 0.00 H ATOM 236 HG SER A 15 24.335 24.926 21.274 1.00 0.00 H ATOM 237 H SER A 15 22.596 22.390 19.702 1.00 0.00 H ATOM 238 N SER A 16 21.423 21.784 22.601 1.00 14.87 N ATOM 239 CA SER A 16 20.316 21.510 23.556 1.00 16.70 C ATOM 240 C SER A 16 20.602 20.499 24.662 1.00 15.83 C ATOM 241 O SER A 16 19.821 20.369 25.589 1.00 15.35 O ATOM 242 CB SER A 16 19.092 21.272 22.691 1.00 17.69 C ATOM 243 OG SER A 16 18.054 20.548 23.316 1.00 20.07 O ATOM 244 HA SER A 16 20.148 22.365 24.211 1.00 0.00 H ATOM 245 HB2 SER A 16 19.405 20.719 21.805 1.00 0.00 H ATOM 246 HB3 SER A 16 18.695 22.242 22.391 1.00 0.00 H ATOM 247 HG SER A 16 18.391 19.657 23.585 1.00 0.00 H ATOM 248 H SER A 16 21.466 21.263 21.702 1.00 0.00 H ATOM 249 N THR A 17 21.731 19.924 24.464 1.00 15.65 N ATOM 250 CA THR A 17 22.274 18.923 25.342 1.00 16.14 C ATOM 251 C THR A 17 23.732 19.195 25.553 1.00 16.18 C ATOM 252 O THR A 17 24.362 19.693 24.622 1.00 16.65 O ATOM 253 CB THR A 17 21.944 17.690 24.496 1.00 17.07 C ATOM 254 OG1 THR A 17 21.366 16.974 25.552 1.00 18.61 O ATOM 255 CG2 THR A 17 23.055 16.899 23.851 1.00 16.60 C ATOM 256 HA THR A 17 21.895 18.851 26.361 1.00 0.00 H ATOM 257 HB THR A 17 21.388 17.928 23.589 1.00 0.00 H ATOM 258 HG1 THR A 17 21.061 16.092 25.223 1.00 0.00 H ATOM 259 HG23 THR A 17 23.486 17.479 23.035 1.00 0.00 H ATOM 260 HG21 THR A 17 23.825 16.686 24.592 1.00 0.00 H ATOM 261 HG22 THR A 17 22.654 15.963 23.462 1.00 0.00 H ATOM 262 H THR A 17 22.282 20.196 23.625 1.00 0.00 H ATOM 263 N SER A 18 24.196 18.836 26.735 1.00 16.54 N ATOM 264 CA SER A 18 25.620 19.030 27.093 1.00 17.17 C ATOM 265 C SER A 18 26.444 17.869 26.604 1.00 15.36 C ATOM 266 O SER A 18 27.604 18.097 26.280 1.00 15.71 O ATOM 267 CB SER A 18 25.930 19.425 28.579 1.00 18.76 C ATOM 268 OG SER A 18 25.032 20.365 29.224 1.00 20.62 O ATOM 269 HA SER A 18 25.921 19.934 26.564 1.00 0.00 H ATOM 270 HB2 SER A 18 26.929 19.861 28.600 1.00 0.00 H ATOM 271 HB3 SER A 18 25.922 18.509 29.169 1.00 0.00 H ATOM 272 HG SER A 18 25.337 20.528 30.151 1.00 0.00 H ATOM 273 H SER A 18 23.549 18.409 27.428 1.00 0.00 H ATOM 274 N ALA A 19 25.933 16.706 26.465 1.00 15.19 N ATOM 275 CA ALA A 19 26.573 15.446 25.995 1.00 15.36 C ATOM 276 C ALA A 19 25.454 14.489 25.563 1.00 15.37 C ATOM 277 O ALA A 19 24.223 14.764 25.699 1.00 15.91 O ATOM 278 CB ALA A 19 27.372 14.930 27.153 1.00 15.76 C ATOM 279 HA ALA A 19 27.236 15.575 25.140 1.00 0.00 H ATOM 280 HB1 ALA A 19 28.120 15.671 27.435 1.00 0.00 H ATOM 281 HB2 ALA A 19 26.708 14.743 27.997 1.00 0.00 H ATOM 282 HB3 ALA A 19 27.867 14.002 26.867 1.00 0.00 H ATOM 283 H ALA A 19 24.927 16.628 26.716 1.00 0.00 H ATOM 284 N ALA A 20 25.737 13.358 24.913 1.00 14.31 N ATOM 285 CA ALA A 20 24.783 12.338 24.477 1.00 13.69 C ATOM 286 C ALA A 20 24.472 11.699 25.839 1.00 14.52 C ATOM 287 O ALA A 20 25.402 11.365 26.654 1.00 13.65 O ATOM 288 CB ALA A 20 25.319 11.216 23.588 1.00 12.10 C ATOM 289 HA ALA A 20 23.990 12.787 23.879 1.00 0.00 H ATOM 290 HB1 ALA A 20 25.728 11.644 22.673 1.00 0.00 H ATOM 291 HB2 ALA A 20 26.102 10.675 24.120 1.00 0.00 H ATOM 292 HB3 ALA A 20 24.508 10.532 23.340 1.00 0.00 H ATOM 293 H ALA A 20 26.739 13.184 24.694 1.00 0.00 H ATOM 294 N SER A 21 23.185 11.465 26.042 1.00 16.71 N ATOM 295 CA SER A 21 22.758 10.925 27.381 1.00 18.02 C ATOM 296 C SER A 21 22.463 9.446 27.517 1.00 18.09 C ATOM 297 O SER A 21 22.313 8.983 28.660 1.00 18.39 O ATOM 298 CB SER A 21 21.492 11.752 27.690 1.00 18.61 C ATOM 299 OG SER A 21 20.814 11.559 26.422 1.00 20.32 O ATOM 300 HA SER A 21 23.598 11.019 28.069 1.00 0.00 H ATOM 301 HB2 SER A 21 21.719 12.801 27.882 1.00 0.00 H ATOM 302 HB3 SER A 21 20.926 11.345 28.528 1.00 0.00 H ATOM 303 HG SER A 21 19.947 12.038 26.436 1.00 0.00 H ATOM 304 H SER A 21 22.486 11.650 25.295 1.00 0.00 H ATOM 305 N SER A 22 22.447 8.740 26.375 1.00 17.05 N ATOM 306 CA SER A 22 22.253 7.290 26.285 1.00 15.48 C ATOM 307 C SER A 22 22.906 6.715 25.026 1.00 15.32 C ATOM 308 O SER A 22 23.282 7.470 24.085 1.00 14.60 O ATOM 309 CB SER A 22 20.790 6.926 26.379 1.00 15.79 C ATOM 310 OG SER A 22 20.288 6.767 25.064 1.00 16.15 O ATOM 311 HA SER A 22 22.754 6.835 27.139 1.00 0.00 H ATOM 312 HB2 SER A 22 20.244 7.720 26.889 1.00 0.00 H ATOM 313 HB3 SER A 22 20.676 5.994 26.933 1.00 0.00 H ATOM 314 HG SER A 22 19.328 6.528 25.105 1.00 0.00 H ATOM 315 H SER A 22 22.583 9.262 25.486 1.00 0.00 H ATOM 316 N SER A 23 23.019 5.376 25.005 1.00 14.40 N ATOM 317 CA SER A 23 23.579 4.747 23.786 1.00 14.58 C ATOM 318 C SER A 23 22.620 4.889 22.587 1.00 14.38 C ATOM 319 O SER A 23 23.103 4.670 21.465 1.00 15.67 O ATOM 320 CB SER A 23 23.986 3.340 23.956 1.00 15.28 C ATOM 321 OG SER A 23 22.793 2.727 24.463 1.00 16.59 O ATOM 322 HA SER A 23 24.495 5.301 23.583 1.00 0.00 H ATOM 323 HB2 SER A 23 24.807 3.251 24.667 1.00 0.00 H ATOM 324 HB3 SER A 23 24.282 2.898 23.004 1.00 0.00 H ATOM 325 HG SER A 23 22.958 1.763 24.615 1.00 0.00 H ATOM 326 H SER A 23 22.723 4.800 25.818 1.00 0.00 H ATOM 327 N ASN A 24 21.433 5.269 22.775 1.00 14.71 N ATOM 328 CA ASN A 24 20.454 5.554 21.713 1.00 16.83 C ATOM 329 C ASN A 24 20.470 6.961 21.078 1.00 14.30 C ATOM 330 O ASN A 24 19.775 7.153 20.088 1.00 12.83 O ATOM 331 CB ASN A 24 19.023 5.233 22.134 1.00 19.26 C ATOM 332 CG ASN A 24 18.773 3.897 21.434 1.00 22.52 C ATOM 333 OD1 ASN A 24 18.966 3.663 20.210 1.00 23.83 O ATOM 334 ND2 ASN A 24 18.389 2.923 22.276 1.00 24.79 N ATOM 335 HA ASN A 24 20.804 4.878 20.933 1.00 0.00 H ATOM 336 HB2 ASN A 24 18.942 5.134 23.216 1.00 0.00 H ATOM 337 HB3 ASN A 24 18.328 5.997 21.787 1.00 0.00 H ATOM 338 HD22 ASN A 24 18.235 3.136 23.282 1.00 0.00 H ATOM 339 HD21 ASN A 24 18.246 1.956 21.922 1.00 0.00 H ATOM 340 H ASN A 24 21.120 5.391 23.759 1.00 0.00 H ATOM 341 N TYR A 25 21.241 7.884 21.611 1.00 13.01 N ATOM 342 CA TYR A 25 21.318 9.256 21.074 1.00 11.97 C ATOM 343 C TYR A 25 21.369 9.392 19.575 1.00 11.22 C ATOM 344 O TYR A 25 20.602 10.106 18.843 1.00 13.11 O ATOM 345 CB TYR A 25 22.514 9.912 21.747 1.00 11.15 C ATOM 346 CG TYR A 25 22.686 11.336 21.282 1.00 10.32 C ATOM 347 CD1 TYR A 25 21.977 12.413 21.886 1.00 10.59 C ATOM 348 CD2 TYR A 25 23.650 11.597 20.306 1.00 9.62 C ATOM 349 CE1 TYR A 25 22.231 13.700 21.453 1.00 10.98 C ATOM 350 CE2 TYR A 25 23.874 12.876 19.835 1.00 9.25 C ATOM 351 CZ TYR A 25 23.161 13.895 20.386 1.00 10.74 C ATOM 352 OH TYR A 25 23.454 15.171 19.946 1.00 12.22 O ATOM 353 HA TYR A 25 20.378 9.756 21.305 1.00 0.00 H ATOM 354 HB3 TYR A 25 23.414 9.347 21.504 1.00 0.00 H ATOM 355 HB2 TYR A 25 22.363 9.906 22.826 1.00 0.00 H ATOM 356 HD2 TYR A 25 24.240 10.772 19.906 1.00 0.00 H ATOM 357 HE2 TYR A 25 24.601 13.063 19.045 1.00 0.00 H ATOM 358 HE1 TYR A 25 21.731 14.551 21.917 1.00 0.00 H ATOM 359 HD1 TYR A 25 21.248 12.226 22.675 1.00 0.00 H ATOM 360 HH TYR A 25 22.875 15.822 20.416 1.00 0.00 H ATOM 361 H TYR A 25 21.817 7.638 22.441 1.00 0.00 H ATOM 362 N CYS A 26 22.319 8.717 19.016 1.00 10.59 N ATOM 363 CA CYS A 26 22.713 8.704 17.608 1.00 10.16 C ATOM 364 C CYS A 26 21.649 8.197 16.710 1.00 10.89 C ATOM 365 O CYS A 26 21.384 8.874 15.704 1.00 11.86 O ATOM 366 CB CYS A 26 23.979 7.968 17.296 1.00 10.14 C ATOM 367 SG CYS A 26 25.458 8.859 17.771 1.00 10.92 S ATOM 368 HA CYS A 26 22.895 9.762 17.418 1.00 0.00 H ATOM 369 HB2 CYS A 26 24.016 7.784 16.222 1.00 0.00 H ATOM 370 HB3 CYS A 26 23.964 7.016 17.826 1.00 0.00 H ATOM 371 H CYS A 26 22.874 8.105 19.648 1.00 0.00 H ATOM 372 N ASN A 27 21.038 7.084 17.014 1.00 11.88 N ATOM 373 CA ASN A 27 19.930 6.602 16.175 1.00 11.78 C ATOM 374 C ASN A 27 18.803 7.609 16.223 1.00 11.56 C ATOM 375 O ASN A 27 18.021 7.838 15.286 1.00 12.66 O ATOM 376 CB ASN A 27 19.477 5.269 16.790 1.00 11.71 C ATOM 377 CG ASN A 27 20.532 4.159 16.540 1.00 11.89 C ATOM 378 OD1 ASN A 27 21.349 4.227 15.675 1.00 10.58 O ATOM 379 ND2 ASN A 27 20.352 3.119 17.367 1.00 12.72 N ATOM 380 HA ASN A 27 20.228 6.471 15.135 1.00 0.00 H ATOM 381 HB2 ASN A 27 19.342 5.398 17.864 1.00 0.00 H ATOM 382 HB3 ASN A 27 18.530 4.971 16.339 1.00 0.00 H ATOM 383 HD22 ASN A 27 19.609 3.155 18.093 1.00 0.00 H ATOM 384 HD21 ASN A 27 20.956 2.276 17.282 1.00 0.00 H ATOM 385 H ASN A 27 21.334 6.539 17.849 1.00 0.00 H ATOM 386 N GLN A 28 18.598 8.182 17.362 1.00 11.63 N ATOM 387 CA GLN A 28 17.478 9.149 17.543 1.00 13.72 C ATOM 388 C GLN A 28 17.798 10.409 16.716 1.00 12.72 C ATOM 389 O GLN A 28 17.058 10.998 15.950 1.00 13.29 O ATOM 390 CB GLN A 28 17.163 9.525 18.953 1.00 16.03 C ATOM 391 CG GLN A 28 16.073 8.812 19.731 1.00 19.41 C ATOM 392 CD GLN A 28 16.222 8.290 21.164 1.00 22.37 C ATOM 393 OE1 GLN A 28 16.971 8.701 22.128 1.00 23.94 O ATOM 394 NE2 GLN A 28 15.412 7.221 21.497 1.00 24.38 N ATOM 395 HA GLN A 28 16.577 8.642 17.198 1.00 0.00 H ATOM 396 HB2 GLN A 28 18.084 9.395 19.521 1.00 0.00 H ATOM 397 HB3 GLN A 28 16.893 10.581 18.939 1.00 0.00 H ATOM 398 HG2 GLN A 28 15.232 9.505 19.759 1.00 0.00 H ATOM 399 HG3 GLN A 28 15.806 7.943 19.130 1.00 0.00 H ATOM 400 HE22 GLN A 28 14.769 6.815 20.787 1.00 0.00 H ATOM 401 HE21 GLN A 28 15.445 6.823 22.457 1.00 0.00 H ATOM 402 H GLN A 28 19.223 7.966 18.164 1.00 0.00 H ATOM 403 N MET A 29 18.966 10.909 16.918 1.00 11.83 N ATOM 404 CA MET A 29 19.413 12.159 16.291 1.00 11.44 C ATOM 405 C MET A 29 19.624 12.063 14.793 1.00 10.88 C ATOM 406 O MET A 29 19.139 12.956 14.088 1.00 10.07 O ATOM 407 CB MET A 29 20.697 12.660 16.976 1.00 11.37 C ATOM 408 CG MET A 29 20.513 13.264 18.324 1.00 12.15 C ATOM 409 SD MET A 29 19.358 14.673 18.318 1.00 13.09 S ATOM 410 CE MET A 29 20.506 15.868 17.753 1.00 10.87 C ATOM 411 HA MET A 29 18.602 12.873 16.432 1.00 0.00 H ATOM 412 HB2 MET A 29 21.376 11.813 17.077 1.00 0.00 H ATOM 413 HB3 MET A 29 21.150 13.412 16.330 1.00 0.00 H ATOM 414 HG2 MET A 29 21.481 13.609 18.686 1.00 0.00 H ATOM 415 HG3 MET A 29 20.126 12.500 18.998 1.00 0.00 H ATOM 416 HE1 MET A 29 21.331 15.940 18.461 1.00 0.00 H ATOM 417 HE2 MET A 29 20.888 15.570 16.777 1.00 0.00 H ATOM 418 HE3 MET A 29 20.011 16.835 17.671 1.00 0.00 H ATOM 419 H MET A 29 19.620 10.407 17.552 1.00 0.00 H ATOM 420 N MET A 30 20.319 11.013 14.369 1.00 11.02 N ATOM 421 CA MET A 30 20.596 10.769 12.959 1.00 11.18 C ATOM 422 C MET A 30 19.303 10.707 12.141 1.00 12.34 C ATOM 423 O MET A 30 19.037 11.233 11.037 1.00 12.33 O ATOM 424 CB MET A 30 21.382 9.457 12.843 1.00 10.76 C ATOM 425 CG MET A 30 22.808 9.599 13.168 1.00 10.44 C ATOM 426 SD MET A 30 23.882 10.747 12.291 1.00 10.86 S ATOM 427 CE MET A 30 24.092 10.050 10.640 1.00 8.79 C ATOM 428 HA MET A 30 21.186 11.592 12.555 1.00 0.00 H ATOM 429 HB2 MET A 30 20.943 8.729 13.526 1.00 0.00 H ATOM 430 HB3 MET A 30 21.295 9.092 11.820 1.00 0.00 H ATOM 431 HG2 MET A 30 23.249 8.611 13.040 1.00 0.00 H ATOM 432 HG3 MET A 30 22.854 9.882 14.220 1.00 0.00 H ATOM 433 HE1 MET A 30 24.546 9.062 10.719 1.00 0.00 H ATOM 434 HE2 MET A 30 23.119 9.967 10.156 1.00 0.00 H ATOM 435 HE3 MET A 30 24.738 10.702 10.051 1.00 0.00 H ATOM 436 H MET A 30 20.680 10.337 15.072 1.00 0.00 H ATOM 437 N LYS A 31 18.318 10.133 12.783 1.00 12.58 N ATOM 438 CA LYS A 31 17.016 10.018 12.202 1.00 15.02 C ATOM 439 C LYS A 31 16.251 11.345 12.126 1.00 14.44 C ATOM 440 O LYS A 31 15.758 11.758 11.067 1.00 14.35 O ATOM 441 CB LYS A 31 16.139 9.128 13.033 1.00 17.23 C ATOM 442 CG LYS A 31 14.746 9.125 12.375 1.00 19.65 C ATOM 443 CD LYS A 31 14.798 7.937 11.405 1.00 22.30 C ATOM 444 CE LYS A 31 13.841 8.214 10.240 1.00 24.79 C ATOM 445 NZ LYS A 31 13.253 6.935 9.716 1.00 26.28 N ATOM 446 HA LYS A 31 17.206 9.630 11.201 1.00 0.00 H ATOM 447 HB2 LYS A 31 16.545 8.117 13.055 1.00 0.00 H ATOM 448 HB3 LYS A 31 16.072 9.513 14.051 1.00 0.00 H ATOM 449 HG2 LYS A 31 13.965 8.983 13.121 1.00 0.00 H ATOM 450 HG3 LYS A 31 14.568 10.057 11.838 1.00 0.00 H ATOM 451 HD2 LYS A 31 15.813 7.816 11.026 1.00 0.00 H ATOM 452 HD3 LYS A 31 14.494 7.027 11.922 1.00 0.00 H ATOM 453 HE2 LYS A 31 14.388 8.711 9.439 1.00 0.00 H ATOM 454 HE3 LYS A 31 13.036 8.863 10.585 1.00 0.00 H ATOM 455 HZ1 LYS A 31 14.018 6.315 9.382 1.00 0.00 H ATOM 456 HZ2 LYS A 31 12.727 6.460 10.477 1.00 0.00 H ATOM 457 HZ3 LYS A 31 12.609 7.148 8.928 1.00 0.00 H ATOM 458 H LYS A 31 18.485 9.752 13.736 1.00 0.00 H ATOM 459 N SER A 32 16.145 11.979 13.288 1.00 13.83 N ATOM 460 CA SER A 32 15.361 13.231 13.397 1.00 13.67 C ATOM 461 C SER A 32 15.898 14.425 12.657 1.00 12.54 C ATOM 462 O SER A 32 15.014 15.280 12.431 1.00 12.45 O ATOM 463 CB SER A 32 14.893 13.547 14.831 1.00 14.52 C ATOM 464 OG SER A 32 15.938 13.946 15.638 1.00 16.27 O ATOM 465 HA SER A 32 14.459 12.993 12.833 1.00 0.00 H ATOM 466 HB2 SER A 32 14.439 12.653 15.259 1.00 0.00 H ATOM 467 HB3 SER A 32 14.153 14.346 14.792 1.00 0.00 H ATOM 468 HG SER A 32 16.613 13.223 15.684 1.00 0.00 H ATOM 469 H SER A 32 16.617 11.593 14.130 1.00 0.00 H ATOM 470 N ARG A 33 17.165 14.450 12.334 1.00 10.93 N ATOM 471 CA ARG A 33 17.886 15.471 11.571 1.00 10.44 C ATOM 472 C ARG A 33 17.801 15.115 10.080 1.00 11.79 C ATOM 473 O ARG A 33 18.465 15.768 9.256 1.00 11.93 O ATOM 474 CB ARG A 33 19.341 15.670 12.074 1.00 9.12 C ATOM 475 CG ARG A 33 19.474 16.309 13.430 1.00 8.43 C ATOM 476 CD ARG A 33 18.691 17.582 13.489 1.00 8.99 C ATOM 477 NE ARG A 33 18.736 18.173 14.834 1.00 9.71 N ATOM 478 CZ ARG A 33 19.773 18.824 15.345 1.00 9.44 C ATOM 479 NH1 ARG A 33 20.885 19.125 14.751 1.00 9.57 N ATOM 480 NH2 ARG A 33 19.658 19.288 16.632 1.00 10.28 N ATOM 481 HA ARG A 33 17.414 16.441 11.724 1.00 0.00 H ATOM 482 HB2 ARG A 33 19.820 14.692 12.115 1.00 0.00 H ATOM 483 HB3 ARG A 33 19.863 16.299 11.353 1.00 0.00 H ATOM 484 HG2 ARG A 33 19.100 15.622 14.189 1.00 0.00 H ATOM 485 HG3 ARG A 33 20.525 16.525 13.624 1.00 0.00 H ATOM 486 HD2 ARG A 33 17.654 17.374 13.226 1.00 0.00 H ATOM 487 HD3 ARG A 33 19.110 18.291 12.775 1.00 0.00 H ATOM 488 HE ARG A 33 17.890 18.073 15.431 1.00 0.00 H ATOM 489 HH12 ARG A 33 21.626 19.642 15.266 1.00 0.00 H ATOM 490 HH11 ARG A 33 21.036 18.849 13.760 1.00 0.00 H ATOM 491 HH22 ARG A 33 20.447 19.804 17.071 1.00 0.00 H ATOM 492 HH21 ARG A 33 18.782 19.124 17.168 1.00 0.00 H ATOM 493 H ARG A 33 17.733 13.642 12.661 1.00 0.00 H ATOM 494 N ASN A 34 17.069 14.056 9.708 1.00 13.62 N ATOM 495 CA ASN A 34 16.856 13.594 8.376 1.00 16.00 C ATOM 496 C ASN A 34 18.097 13.026 7.696 1.00 15.27 C ATOM 497 O ASN A 34 18.083 13.100 6.468 1.00 14.32 O ATOM 498 CB ASN A 34 16.470 14.874 7.592 1.00 18.70 C ATOM 499 CG ASN A 34 15.051 14.817 7.042 1.00 22.39 C ATOM 500 OD1 ASN A 34 14.119 15.206 7.821 1.00 24.62 O ATOM 501 ND2 ASN A 34 14.858 14.415 5.756 1.00 23.32 N ATOM 502 HA ASN A 34 16.119 12.791 8.394 1.00 0.00 H ATOM 503 HB2 ASN A 34 16.552 15.731 8.260 1.00 0.00 H ATOM 504 HB3 ASN A 34 17.163 14.996 6.760 1.00 0.00 H ATOM 505 HD22 ASN A 34 15.668 14.110 5.179 1.00 0.00 H ATOM 506 HD21 ASN A 34 13.900 14.412 5.350 1.00 0.00 H ATOM 507 H ASN A 34 16.609 13.516 10.469 1.00 0.00 H ATOM 508 N LEU A 35 19.055 12.548 8.496 1.00 14.76 N ATOM 509 CA LEU A 35 20.314 12.000 7.918 1.00 15.14 C ATOM 510 C LEU A 35 20.303 10.550 7.406 1.00 15.63 C ATOM 511 O LEU A 35 21.348 10.154 6.846 1.00 15.87 O ATOM 512 CB LEU A 35 21.539 12.305 8.829 1.00 14.01 C ATOM 513 CG LEU A 35 21.589 13.762 9.234 1.00 13.85 C ATOM 514 CD1 LEU A 35 22.418 13.953 10.458 1.00 13.68 C ATOM 515 CD2 LEU A 35 22.208 14.684 8.242 1.00 13.73 C ATOM 516 HA LEU A 35 20.409 12.553 6.984 1.00 0.00 H ATOM 517 HB2 LEU A 35 21.473 11.691 9.727 1.00 0.00 H ATOM 518 HB3 LEU A 35 22.452 12.057 8.288 1.00 0.00 H ATOM 519 HG LEU A 35 20.534 14.004 9.361 1.00 0.00 H ATOM 520 HD21 LEU A 35 23.239 14.380 8.059 1.00 0.00 H ATOM 521 HD22 LEU A 35 21.645 14.643 7.309 1.00 0.00 H ATOM 522 HD23 LEU A 35 22.192 15.701 8.634 1.00 0.00 H ATOM 523 HD11 LEU A 35 21.990 13.378 11.279 1.00 0.00 H ATOM 524 HD12 LEU A 35 23.434 13.610 10.264 1.00 0.00 H ATOM 525 HD13 LEU A 35 22.434 15.010 10.723 1.00 0.00 H ATOM 526 H LEU A 35 18.921 12.559 9.527 1.00 0.00 H ATOM 527 N THR A 36 19.209 9.865 7.568 1.00 15.96 N ATOM 528 CA THR A 36 19.037 8.475 7.161 1.00 17.29 C ATOM 529 C THR A 36 17.934 8.376 6.096 1.00 19.23 C ATOM 530 O THR A 36 17.380 7.263 6.025 1.00 19.37 O ATOM 531 CB THR A 36 18.612 7.718 8.427 1.00 16.36 C ATOM 532 OG1 THR A 36 17.330 8.190 8.791 1.00 16.93 O ATOM 533 CG2 THR A 36 19.610 7.968 9.569 1.00 15.99 C ATOM 534 HA THR A 36 19.951 8.063 6.733 1.00 0.00 H ATOM 535 HB THR A 36 18.591 6.645 8.236 1.00 0.00 H ATOM 536 HG1 THR A 36 16.694 8.017 8.053 1.00 0.00 H ATOM 537 HG23 THR A 36 20.594 7.600 9.277 1.00 0.00 H ATOM 538 HG21 THR A 36 19.666 9.037 9.773 1.00 0.00 H ATOM 539 HG22 THR A 36 19.275 7.443 10.464 1.00 0.00 H ATOM 540 H THR A 36 18.402 10.341 8.019 1.00 0.00 H ATOM 541 N LYS A 37 17.741 9.440 5.374 1.00 21.36 N ATOM 542 CA LYS A 37 16.622 9.513 4.422 1.00 22.71 C ATOM 543 C LYS A 37 16.784 8.767 3.108 1.00 22.28 C ATOM 544 O LYS A 37 15.926 7.900 2.713 1.00 22.28 O ATOM 545 CB LYS A 37 16.063 10.928 4.260 1.00 24.03 C ATOM 546 CG LYS A 37 14.595 10.862 4.827 1.00 25.82 C ATOM 547 CD LYS A 37 14.657 10.611 6.360 1.00 27.57 C ATOM 548 CE LYS A 37 13.357 10.762 7.124 1.00 28.54 C ATOM 549 NZ LYS A 37 13.334 11.289 8.538 1.00 29.92 N ATOM 550 HA LYS A 37 15.851 8.923 4.918 1.00 0.00 H ATOM 551 HB2 LYS A 37 16.660 11.642 4.827 1.00 0.00 H ATOM 552 HB3 LYS A 37 16.054 11.217 3.209 1.00 0.00 H ATOM 553 HG2 LYS A 37 14.084 11.805 4.631 1.00 0.00 H ATOM 554 HG3 LYS A 37 14.053 10.049 4.345 1.00 0.00 H ATOM 555 HD2 LYS A 37 15.016 9.594 6.515 1.00 0.00 H ATOM 556 HD3 LYS A 37 15.373 11.316 6.782 1.00 0.00 H ATOM 557 HE2 LYS A 37 12.901 9.772 7.156 1.00 0.00 H ATOM 558 HE3 LYS A 37 12.729 11.431 6.535 1.00 0.00 H ATOM 559 HZ1 LYS A 37 13.899 10.665 9.149 1.00 0.00 H ATOM 560 HZ2 LYS A 37 13.735 12.249 8.556 1.00 0.00 H ATOM 561 HZ3 LYS A 37 12.353 11.315 8.881 1.00 0.00 H ATOM 562 H LYS A 37 18.386 10.250 5.471 1.00 0.00 H ATOM 563 N ASP A 38 17.881 9.061 2.474 1.00 21.81 N ATOM 564 CA ASP A 38 18.170 8.359 1.230 1.00 21.41 C ATOM 565 C ASP A 38 19.103 7.175 1.467 1.00 19.84 C ATOM 566 O ASP A 38 19.025 6.222 0.698 1.00 19.25 O ATOM 567 CB ASP A 38 18.758 9.324 0.259 1.00 23.48 C ATOM 568 CG ASP A 38 17.779 10.460 0.183 1.00 25.96 C ATOM 569 OD1 ASP A 38 18.403 11.538 0.155 1.00 28.41 O ATOM 570 OD2 ASP A 38 16.563 10.235 0.230 1.00 27.59 O ATOM 571 HA ASP A 38 17.244 7.954 0.821 1.00 0.00 H ATOM 572 HB2 ASP A 38 19.727 9.678 0.612 1.00 0.00 H ATOM 573 HB3 ASP A 38 18.877 8.857 -0.719 1.00 0.00 H ATOM 574 H ASP A 38 18.535 9.779 2.845 1.00 0.00 H ATOM 575 N ARG A 39 19.902 7.228 2.468 1.00 18.71 N ATOM 576 CA ARG A 39 20.840 6.164 2.777 1.00 19.38 C ATOM 577 C ARG A 39 21.310 6.453 4.189 1.00 16.83 C ATOM 578 O ARG A 39 20.913 7.468 4.752 1.00 16.77 O ATOM 579 CB ARG A 39 22.046 6.177 1.827 1.00 22.48 C ATOM 580 CG ARG A 39 23.018 7.305 2.138 1.00 25.74 C ATOM 581 CD ARG A 39 24.228 7.629 1.388 1.00 28.49 C ATOM 582 NE ARG A 39 24.877 8.963 1.611 1.00 31.64 N ATOM 583 CZ ARG A 39 26.121 9.070 2.109 1.00 33.81 C ATOM 584 NH1 ARG A 39 26.821 7.951 2.392 1.00 34.55 N ATOM 585 NH2 ARG A 39 26.683 10.275 2.242 1.00 34.39 N ATOM 586 HA ARG A 39 20.369 5.187 2.672 1.00 0.00 H ATOM 587 HB2 ARG A 39 22.572 5.227 1.916 1.00 0.00 H ATOM 588 HB3 ARG A 39 21.686 6.297 0.805 1.00 0.00 H ATOM 589 HG2 ARG A 39 22.417 8.214 2.117 1.00 0.00 H ATOM 590 HG3 ARG A 39 23.355 7.118 3.157 1.00 0.00 H ATOM 591 HD2 ARG A 39 23.976 7.567 0.329 1.00 0.00 H ATOM 592 HD3 ARG A 39 24.969 6.867 1.629 1.00 0.00 H ATOM 593 HE ARG A 39 24.350 9.828 1.374 1.00 0.00 H ATOM 594 HH12 ARG A 39 27.784 8.024 2.778 1.00 0.00 H ATOM 595 HH11 ARG A 39 26.397 7.016 2.224 1.00 0.00 H ATOM 596 HH22 ARG A 39 27.645 10.360 2.627 1.00 0.00 H ATOM 597 HH21 ARG A 39 26.158 11.128 1.960 1.00 0.00 H ATOM 598 H ARG A 39 19.877 8.066 3.083 1.00 0.00 H ATOM 599 N CYS A 40 22.155 5.618 4.693 1.00 13.86 N ATOM 600 CA CYS A 40 22.665 5.824 6.079 1.00 11.82 C ATOM 601 C CYS A 40 23.995 6.503 5.940 1.00 11.15 C ATOM 602 O CYS A 40 24.922 5.839 5.499 1.00 10.38 O ATOM 603 CB CYS A 40 22.827 4.493 6.793 1.00 11.52 C ATOM 604 SG CYS A 40 21.542 3.289 6.844 1.00 10.40 S ATOM 605 HA CYS A 40 21.970 6.423 6.668 1.00 0.00 H ATOM 606 HB2 CYS A 40 23.061 4.731 7.830 1.00 0.00 H ATOM 607 HB3 CYS A 40 23.684 4.003 6.331 1.00 0.00 H ATOM 608 H CYS A 40 22.480 4.803 4.134 1.00 0.00 H ATOM 609 N LYS A 41 23.994 7.776 6.391 1.00 10.55 N ATOM 610 CA LYS A 41 25.270 8.503 6.434 1.00 10.53 C ATOM 611 C LYS A 41 26.066 7.655 7.460 1.00 11.69 C ATOM 612 O LYS A 41 25.572 7.396 8.583 1.00 12.59 O ATOM 613 CB LYS A 41 25.099 9.960 6.877 1.00 9.61 C ATOM 614 CG LYS A 41 26.410 10.725 6.809 1.00 9.74 C ATOM 615 CD LYS A 41 26.325 12.200 7.265 1.00 9.25 C ATOM 616 CE LYS A 41 27.656 12.904 6.992 1.00 7.87 C ATOM 617 NZ LYS A 41 27.472 14.234 7.673 1.00 8.40 N ATOM 618 HA LYS A 41 25.761 8.598 5.465 1.00 0.00 H ATOM 619 HB2 LYS A 41 24.372 10.445 6.225 1.00 0.00 H ATOM 620 HB3 LYS A 41 24.733 9.977 7.903 1.00 0.00 H ATOM 621 HG2 LYS A 41 27.134 10.215 7.444 1.00 0.00 H ATOM 622 HG3 LYS A 41 26.759 10.709 5.777 1.00 0.00 H ATOM 623 HD2 LYS A 41 25.529 12.704 6.716 1.00 0.00 H ATOM 624 HD3 LYS A 41 26.108 12.237 8.332 1.00 0.00 H ATOM 625 HE2 LYS A 41 27.823 13.029 5.922 1.00 0.00 H ATOM 626 HE3 LYS A 41 28.490 12.352 7.426 1.00 0.00 H ATOM 627 HZ1 LYS A 41 26.661 14.729 7.251 1.00 0.00 H ATOM 628 HZ2 LYS A 41 27.297 14.082 8.687 1.00 0.00 H ATOM 629 HZ3 LYS A 41 28.331 14.807 7.550 1.00 0.00 H ATOM 630 H LYS A 41 23.111 8.231 6.700 1.00 0.00 H ATOM 631 N PRO A 42 27.245 7.216 7.051 1.00 12.72 N ATOM 632 CA PRO A 42 28.120 6.399 7.807 1.00 12.31 C ATOM 633 C PRO A 42 28.709 7.019 9.072 1.00 12.59 C ATOM 634 O PRO A 42 28.814 6.312 10.061 1.00 12.91 O ATOM 635 CB PRO A 42 29.251 5.967 6.878 1.00 12.46 C ATOM 636 CG PRO A 42 29.189 6.865 5.704 1.00 13.16 C ATOM 637 CD PRO A 42 27.791 7.476 5.696 1.00 12.66 C ATOM 638 HA PRO A 42 27.518 5.570 8.179 1.00 0.00 H ATOM 639 HD3 PRO A 42 27.843 8.548 5.504 1.00 0.00 H ATOM 640 HD2 PRO A 42 27.170 7.001 4.936 1.00 0.00 H ATOM 641 HG3 PRO A 42 29.358 6.299 4.788 1.00 0.00 H ATOM 642 HG2 PRO A 42 29.942 7.649 5.789 1.00 0.00 H ATOM 643 HB2 PRO A 42 30.213 6.068 7.381 1.00 0.00 H ATOM 644 HB3 PRO A 42 29.111 4.931 6.569 1.00 0.00 H ATOM 645 N VAL A 43 29.192 8.230 8.999 1.00 13.31 N ATOM 646 CA VAL A 43 29.808 8.913 10.135 1.00 12.53 C ATOM 647 C VAL A 43 29.278 10.325 10.269 1.00 11.87 C ATOM 648 O VAL A 43 29.384 11.069 9.277 1.00 13.00 O ATOM 649 CB VAL A 43 31.316 9.097 9.899 1.00 12.45 C ATOM 650 CG1 VAL A 43 31.854 9.849 11.120 1.00 13.05 C ATOM 651 CG2 VAL A 43 31.853 7.749 9.749 1.00 12.64 C ATOM 652 HA VAL A 43 29.590 8.304 11.012 1.00 0.00 H ATOM 653 HB VAL A 43 31.589 9.673 9.015 1.00 0.00 H ATOM 654 HG11 VAL A 43 31.350 10.812 11.203 1.00 0.00 H ATOM 655 HG12 VAL A 43 31.667 9.261 12.019 1.00 0.00 H ATOM 656 HG13 VAL A 43 32.926 10.007 11.004 1.00 0.00 H ATOM 657 HG21 VAL A 43 31.658 7.178 10.657 1.00 0.00 H ATOM 658 HG22 VAL A 43 31.373 7.260 8.901 1.00 0.00 H ATOM 659 HG23 VAL A 43 32.928 7.805 9.577 1.00 0.00 H ATOM 660 H VAL A 43 29.136 8.732 8.090 1.00 0.00 H ATOM 661 N ASN A 44 28.905 10.639 11.477 1.00 10.85 N ATOM 662 CA ASN A 44 28.484 12.014 11.721 1.00 8.72 C ATOM 663 C ASN A 44 28.770 12.527 13.116 1.00 9.21 C ATOM 664 O ASN A 44 28.360 11.784 14.019 1.00 9.85 O ATOM 665 CB ASN A 44 26.995 12.087 11.382 1.00 7.77 C ATOM 666 CG ASN A 44 26.553 13.544 11.260 1.00 7.20 C ATOM 667 OD1 ASN A 44 26.883 14.342 10.382 1.00 6.66 O ATOM 668 ND2 ASN A 44 25.730 13.940 12.208 1.00 7.37 N ATOM 669 HA ASN A 44 29.075 12.676 11.087 1.00 0.00 H ATOM 670 HB2 ASN A 44 26.815 11.575 10.436 1.00 0.00 H ATOM 671 HB3 ASN A 44 26.421 11.601 12.171 1.00 0.00 H ATOM 672 HD22 ASN A 44 25.442 13.278 12.957 1.00 0.00 H ATOM 673 HD21 ASN A 44 25.368 14.915 12.208 1.00 0.00 H ATOM 674 H ASN A 44 28.907 9.934 12.241 1.00 0.00 H ATOM 675 N THR A 45 29.347 13.731 13.253 1.00 8.61 N ATOM 676 CA THR A 45 29.578 14.368 14.519 1.00 7.51 C ATOM 677 C THR A 45 28.589 15.493 14.897 1.00 7.30 C ATOM 678 O THR A 45 28.229 16.464 14.135 1.00 7.02 O ATOM 679 CB THR A 45 30.973 14.997 14.580 1.00 7.19 C ATOM 680 OG1 THR A 45 31.858 14.023 14.061 1.00 7.84 O ATOM 681 CG2 THR A 45 31.363 15.309 16.033 1.00 7.35 C ATOM 682 HA THR A 45 29.448 13.547 15.224 1.00 0.00 H ATOM 683 HB THR A 45 31.006 15.931 14.018 1.00 0.00 H ATOM 684 HG1 THR A 45 31.808 13.204 14.616 1.00 0.00 H ATOM 685 HG23 THR A 45 30.683 16.059 16.437 1.00 0.00 H ATOM 686 HG21 THR A 45 31.297 14.399 16.629 1.00 0.00 H ATOM 687 HG22 THR A 45 32.384 15.689 16.060 1.00 0.00 H ATOM 688 H THR A 45 29.644 14.232 12.392 1.00 0.00 H ATOM 689 N PHE A 46 28.111 15.409 16.110 1.00 5.51 N ATOM 690 CA PHE A 46 27.259 16.360 16.799 1.00 6.21 C ATOM 691 C PHE A 46 28.163 17.128 17.815 1.00 7.17 C ATOM 692 O PHE A 46 29.149 16.528 18.396 1.00 8.02 O ATOM 693 CB PHE A 46 26.009 15.907 17.588 1.00 6.66 C ATOM 694 CG PHE A 46 24.981 15.412 16.623 1.00 7.04 C ATOM 695 CD1 PHE A 46 24.205 16.349 15.963 1.00 6.78 C ATOM 696 CD2 PHE A 46 24.936 14.046 16.311 1.00 7.48 C ATOM 697 CE1 PHE A 46 23.290 15.891 15.004 1.00 8.04 C ATOM 698 CE2 PHE A 46 24.054 13.574 15.330 1.00 8.26 C ATOM 699 CZ PHE A 46 23.205 14.512 14.680 1.00 7.96 C ATOM 700 HA PHE A 46 26.825 16.914 15.967 1.00 0.00 H ATOM 701 HB2 PHE A 46 26.281 15.107 18.276 1.00 0.00 H ATOM 702 HB3 PHE A 46 25.607 16.749 18.152 1.00 0.00 H ATOM 703 HD2 PHE A 46 25.590 13.348 16.834 1.00 0.00 H ATOM 704 HE2 PHE A 46 24.019 12.516 15.072 1.00 0.00 H ATOM 705 HZ PHE A 46 22.489 14.171 13.932 1.00 0.00 H ATOM 706 HE1 PHE A 46 22.636 16.603 14.501 1.00 0.00 H ATOM 707 HD1 PHE A 46 24.302 17.412 16.182 1.00 0.00 H ATOM 708 H PHE A 46 28.373 14.557 16.647 1.00 0.00 H ATOM 709 N VAL A 47 27.897 18.434 17.914 1.00 7.02 N ATOM 710 CA VAL A 47 28.640 19.399 18.721 1.00 6.89 C ATOM 711 C VAL A 47 27.577 20.107 19.635 1.00 8.65 C ATOM 712 O VAL A 47 26.539 20.750 19.303 1.00 7.94 O ATOM 713 CB VAL A 47 29.538 20.374 17.944 1.00 6.24 C ATOM 714 CG1 VAL A 47 30.596 21.157 18.834 1.00 5.60 C ATOM 715 CG2 VAL A 47 30.244 19.848 16.728 1.00 5.53 C ATOM 716 HA VAL A 47 29.387 18.871 19.313 1.00 0.00 H ATOM 717 HB VAL A 47 28.769 21.060 17.588 1.00 0.00 H ATOM 718 HG11 VAL A 47 30.071 21.744 19.588 1.00 0.00 H ATOM 719 HG12 VAL A 47 31.257 20.442 19.324 1.00 0.00 H ATOM 720 HG13 VAL A 47 31.183 21.820 18.199 1.00 0.00 H ATOM 721 HG21 VAL A 47 30.895 19.023 17.016 1.00 0.00 H ATOM 722 HG22 VAL A 47 29.508 19.496 16.006 1.00 0.00 H ATOM 723 HG23 VAL A 47 30.840 20.645 16.282 1.00 0.00 H ATOM 724 H VAL A 47 27.089 18.796 17.368 1.00 0.00 H ATOM 725 N HIS A 48 27.880 19.903 20.892 1.00 10.75 N ATOM 726 CA HIS A 48 27.140 20.345 22.095 1.00 12.06 C ATOM 727 C HIS A 48 27.701 21.593 22.779 1.00 12.99 C ATOM 728 O HIS A 48 28.078 21.685 23.965 1.00 14.13 O ATOM 729 CB HIS A 48 27.088 19.247 23.163 1.00 11.91 C ATOM 730 CG HIS A 48 26.754 17.890 22.730 1.00 12.22 C ATOM 731 ND1 HIS A 48 25.435 17.573 22.589 1.00 13.89 N ATOM 732 CD2 HIS A 48 27.544 16.810 22.453 1.00 12.67 C ATOM 733 CE1 HIS A 48 25.435 16.280 22.222 1.00 13.57 C ATOM 734 NE2 HIS A 48 26.670 15.804 22.146 1.00 13.58 N ATOM 735 HA HIS A 48 26.151 20.582 21.702 1.00 0.00 H ATOM 736 HB2 HIS A 48 28.069 19.206 23.635 1.00 0.00 H ATOM 737 HB3 HIS A 48 26.343 19.546 23.901 1.00 0.00 H ATOM 738 HD2 HIS A 48 28.633 16.761 22.472 1.00 0.00 H ATOM 739 HE1 HIS A 48 24.537 15.699 22.014 1.00 0.00 H ATOM 740 H HIS A 48 28.751 19.362 21.067 1.00 0.00 H ATOM 741 N GLU A 49 27.784 22.619 22.006 1.00 13.22 N ATOM 742 CA GLU A 49 28.242 23.957 22.263 1.00 13.49 C ATOM 743 C GLU A 49 27.292 24.949 21.599 1.00 14.05 C ATOM 744 O GLU A 49 26.427 24.715 20.688 1.00 14.88 O ATOM 745 CB GLU A 49 29.641 24.062 21.707 1.00 13.08 C ATOM 746 CG GLU A 49 30.830 23.314 22.246 1.00 13.35 C ATOM 747 CD GLU A 49 31.090 23.290 23.720 1.00 13.12 C ATOM 748 OE1 GLU A 49 31.508 22.365 24.376 1.00 12.25 O ATOM 749 OE2 GLU A 49 30.748 24.339 24.274 1.00 14.32 O ATOM 750 HA GLU A 49 28.258 24.186 23.329 1.00 0.00 H ATOM 751 HB2 GLU A 49 29.563 23.773 20.659 1.00 0.00 H ATOM 752 HB3 GLU A 49 29.904 25.118 21.772 1.00 0.00 H ATOM 753 HG2 GLU A 49 30.721 22.277 21.928 1.00 0.00 H ATOM 754 HG3 GLU A 49 31.714 23.746 21.777 1.00 0.00 H ATOM 755 H GLU A 49 27.466 22.451 21.030 1.00 0.00 H ATOM 756 N SER A 50 27.521 26.198 22.048 1.00 13.53 N ATOM 757 CA SER A 50 26.666 27.240 21.447 1.00 12.98 C ATOM 758 C SER A 50 27.062 27.514 20.013 1.00 11.61 C ATOM 759 O SER A 50 28.210 27.264 19.697 1.00 10.99 O ATOM 760 CB SER A 50 26.534 28.405 22.399 1.00 13.65 C ATOM 761 OG SER A 50 27.214 29.440 21.927 1.00 13.93 O ATOM 762 HA SER A 50 25.637 26.903 21.325 1.00 0.00 H ATOM 763 HB2 SER A 50 26.930 28.124 23.375 1.00 0.00 H ATOM 764 HB3 SER A 50 25.483 28.676 22.499 1.00 0.00 H ATOM 765 HG SER A 50 27.127 30.203 22.552 1.00 0.00 H ATOM 766 H SER A 50 28.245 26.412 22.763 1.00 0.00 H ATOM 767 N LEU A 51 26.098 27.924 19.239 1.00 11.08 N ATOM 768 CA LEU A 51 26.335 28.173 17.830 1.00 12.39 C ATOM 769 C LEU A 51 27.348 29.215 17.644 1.00 13.47 C ATOM 770 O LEU A 51 28.262 28.947 16.841 1.00 15.73 O ATOM 771 CB LEU A 51 24.950 28.351 17.226 1.00 12.58 C ATOM 772 CG LEU A 51 25.086 28.771 15.776 1.00 13.59 C ATOM 773 CD1 LEU A 51 25.779 27.722 14.962 1.00 13.12 C ATOM 774 CD2 LEU A 51 23.654 29.114 15.362 1.00 14.25 C ATOM 775 HA LEU A 51 26.808 27.361 17.277 1.00 0.00 H ATOM 776 HB2 LEU A 51 24.404 27.409 17.283 1.00 0.00 H ATOM 777 HB3 LEU A 51 24.407 29.118 17.778 1.00 0.00 H ATOM 778 HG LEU A 51 25.731 29.634 15.613 1.00 0.00 H ATOM 779 HD21 LEU A 51 23.022 28.234 15.480 1.00 0.00 H ATOM 780 HD22 LEU A 51 23.278 29.920 15.992 1.00 0.00 H ATOM 781 HD23 LEU A 51 23.645 29.432 14.320 1.00 0.00 H ATOM 782 HD11 LEU A 51 26.776 27.550 15.367 1.00 0.00 H ATOM 783 HD12 LEU A 51 25.205 26.796 15.001 1.00 0.00 H ATOM 784 HD13 LEU A 51 25.858 28.059 13.928 1.00 0.00 H ATOM 785 H LEU A 51 25.148 28.074 19.635 1.00 0.00 H ATOM 786 N ALA A 52 27.365 30.310 18.386 1.00 13.67 N ATOM 787 CA ALA A 52 28.447 31.300 18.348 1.00 13.08 C ATOM 788 C ALA A 52 29.886 30.838 18.678 1.00 12.31 C ATOM 789 O ALA A 52 30.857 31.417 18.186 1.00 13.04 O ATOM 790 CB ALA A 52 28.061 32.479 19.265 1.00 12.42 C ATOM 791 HA ALA A 52 28.520 31.565 17.293 1.00 0.00 H ATOM 792 HB1 ALA A 52 27.133 32.926 18.909 1.00 0.00 H ATOM 793 HB2 ALA A 52 27.923 32.116 20.283 1.00 0.00 H ATOM 794 HB3 ALA A 52 28.855 33.225 19.249 1.00 0.00 H ATOM 795 H ALA A 52 26.567 30.478 19.032 1.00 0.00 H ATOM 796 N ASP A 53 30.121 29.885 19.537 1.00 10.72 N ATOM 797 CA ASP A 53 31.324 29.315 19.989 1.00 10.73 C ATOM 798 C ASP A 53 31.729 28.402 18.781 1.00 8.56 C ATOM 799 O ASP A 53 32.932 28.360 18.577 1.00 9.29 O ATOM 800 CB ASP A 53 31.401 28.461 21.239 1.00 11.42 C ATOM 801 CG ASP A 53 30.969 29.046 22.537 1.00 13.54 C ATOM 802 OD1 ASP A 53 31.176 30.216 22.506 1.00 14.77 O ATOM 803 OD2 ASP A 53 30.428 28.370 23.451 1.00 15.57 O ATOM 804 HA ASP A 53 31.946 30.157 20.293 1.00 0.00 H ATOM 805 HB2 ASP A 53 30.784 27.580 21.063 1.00 0.00 H ATOM 806 HB3 ASP A 53 32.441 28.157 21.355 1.00 0.00 H ATOM 807 H ASP A 53 29.266 29.474 19.963 1.00 0.00 H ATOM 808 N VAL A 54 30.784 27.849 18.137 1.00 7.70 N ATOM 809 CA VAL A 54 31.145 26.993 16.928 1.00 7.54 C ATOM 810 C VAL A 54 31.403 27.898 15.743 1.00 7.32 C ATOM 811 O VAL A 54 32.405 27.640 15.007 1.00 8.14 O ATOM 812 CB VAL A 54 30.207 25.815 16.759 1.00 7.20 C ATOM 813 CG1 VAL A 54 30.400 25.287 15.328 1.00 6.57 C ATOM 814 CG2 VAL A 54 30.280 24.687 17.818 1.00 6.94 C ATOM 815 HA VAL A 54 32.089 26.467 17.068 1.00 0.00 H ATOM 816 HB VAL A 54 29.198 26.190 16.932 1.00 0.00 H ATOM 817 HG11 VAL A 54 30.160 26.076 14.615 1.00 0.00 H ATOM 818 HG12 VAL A 54 31.436 24.977 15.193 1.00 0.00 H ATOM 819 HG13 VAL A 54 29.740 24.435 15.164 1.00 0.00 H ATOM 820 HG21 VAL A 54 31.283 24.260 17.824 1.00 0.00 H ATOM 821 HG22 VAL A 54 30.053 25.099 18.802 1.00 0.00 H ATOM 822 HG23 VAL A 54 29.555 23.911 17.571 1.00 0.00 H ATOM 823 H VAL A 54 29.793 27.976 18.426 1.00 0.00 H ATOM 824 N GLN A 55 30.709 28.945 15.466 1.00 9.14 N ATOM 825 CA GLN A 55 30.961 29.938 14.394 1.00 10.29 C ATOM 826 C GLN A 55 32.287 30.694 14.566 1.00 11.09 C ATOM 827 O GLN A 55 32.887 31.083 13.540 1.00 12.01 O ATOM 828 CB GLN A 55 29.918 30.983 14.318 1.00 11.02 C ATOM 829 CG GLN A 55 28.611 30.357 13.976 1.00 12.45 C ATOM 830 CD GLN A 55 27.504 31.333 13.895 1.00 14.27 C ATOM 831 OE1 GLN A 55 27.306 32.288 14.640 1.00 15.91 O ATOM 832 NE2 GLN A 55 26.651 31.080 12.910 1.00 16.26 N ATOM 833 HA GLN A 55 30.975 29.328 13.491 1.00 0.00 H ATOM 834 HB2 GLN A 55 29.838 31.488 15.281 1.00 0.00 H ATOM 835 HB3 GLN A 55 30.186 31.709 13.550 1.00 0.00 H ATOM 836 HG2 GLN A 55 28.706 29.859 13.011 1.00 0.00 H ATOM 837 HG3 GLN A 55 28.368 29.620 14.741 1.00 0.00 H ATOM 838 HE22 GLN A 55 26.814 30.272 12.276 1.00 0.00 H ATOM 839 HE21 GLN A 55 25.820 31.690 12.773 1.00 0.00 H ATOM 840 H GLN A 55 29.875 29.115 16.063 1.00 0.00 H ATOM 841 N ALA A 56 32.735 30.900 15.800 1.00 11.58 N ATOM 842 CA ALA A 56 33.957 31.538 16.136 1.00 11.23 C ATOM 843 C ALA A 56 35.166 30.717 15.734 1.00 10.64 C ATOM 844 O ALA A 56 36.242 31.309 15.624 1.00 9.41 O ATOM 845 CB ALA A 56 33.984 31.803 17.677 1.00 11.81 C ATOM 846 HA ALA A 56 34.010 32.476 15.584 1.00 0.00 H ATOM 847 HB1 ALA A 56 33.146 32.445 17.949 1.00 0.00 H ATOM 848 HB2 ALA A 56 33.905 30.855 18.209 1.00 0.00 H ATOM 849 HB3 ALA A 56 34.920 32.293 17.944 1.00 0.00 H ATOM 850 H ALA A 56 32.140 30.566 16.585 1.00 0.00 H ATOM 851 N VAL A 57 35.031 29.424 15.578 1.00 11.07 N ATOM 852 CA VAL A 57 36.248 28.693 15.201 1.00 11.00 C ATOM 853 C VAL A 57 36.768 29.238 13.849 1.00 10.85 C ATOM 854 O VAL A 57 38.006 29.160 13.650 1.00 11.46 O ATOM 855 CB VAL A 57 35.881 27.233 15.276 1.00 10.27 C ATOM 856 CG1 VAL A 57 36.915 26.451 14.504 1.00 10.99 C ATOM 857 CG2 VAL A 57 35.571 26.625 16.611 1.00 10.19 C ATOM 858 HA VAL A 57 37.104 28.831 15.861 1.00 0.00 H ATOM 859 HB VAL A 57 34.891 27.171 14.825 1.00 0.00 H ATOM 860 HG11 VAL A 57 36.921 26.785 13.466 1.00 0.00 H ATOM 861 HG12 VAL A 57 37.898 26.616 14.946 1.00 0.00 H ATOM 862 HG13 VAL A 57 36.670 25.390 14.544 1.00 0.00 H ATOM 863 HG21 VAL A 57 36.439 26.721 17.263 1.00 0.00 H ATOM 864 HG22 VAL A 57 34.721 27.143 17.056 1.00 0.00 H ATOM 865 HG23 VAL A 57 35.328 25.570 16.481 1.00 0.00 H ATOM 866 H VAL A 57 34.118 28.944 15.713 1.00 0.00 H ATOM 867 N CYS A 58 35.923 29.843 13.028 1.00 11.14 N ATOM 868 CA CYS A 58 36.341 30.362 11.719 1.00 11.41 C ATOM 869 C CYS A 58 37.294 31.545 11.819 1.00 11.66 C ATOM 870 O CYS A 58 37.583 31.987 10.733 1.00 11.88 O ATOM 871 CB CYS A 58 35.298 30.772 10.696 1.00 11.52 C ATOM 872 SG CYS A 58 34.230 29.327 10.386 1.00 12.70 S ATOM 873 HA CYS A 58 36.798 29.446 11.346 1.00 0.00 H ATOM 874 HB2 CYS A 58 35.785 31.079 9.771 1.00 0.00 H ATOM 875 HB3 CYS A 58 34.702 31.598 11.083 1.00 0.00 H ATOM 876 H CYS A 58 34.931 29.954 13.320 1.00 0.00 H ATOM 877 N SER A 59 37.746 31.863 12.991 1.00 13.25 N ATOM 878 CA SER A 59 38.755 32.862 13.307 1.00 14.90 C ATOM 879 C SER A 59 39.859 32.360 14.271 1.00 14.93 C ATOM 880 O SER A 59 40.639 33.179 14.801 1.00 16.47 O ATOM 881 CB SER A 59 38.392 34.223 13.833 1.00 15.78 C ATOM 882 OG SER A 59 37.261 34.317 14.629 1.00 17.30 O ATOM 883 HA SER A 59 39.060 33.007 12.271 1.00 0.00 H ATOM 884 HB2 SER A 59 38.243 34.877 12.974 1.00 0.00 H ATOM 885 HB3 SER A 59 39.237 34.583 14.420 1.00 0.00 H ATOM 886 HG SER A 59 37.133 35.258 14.908 1.00 0.00 H ATOM 887 H SER A 59 37.341 31.345 13.797 1.00 0.00 H ATOM 888 N GLN A 60 39.944 31.099 14.485 1.00 14.80 N ATOM 889 CA GLN A 60 40.953 30.474 15.354 1.00 13.96 C ATOM 890 C GLN A 60 42.039 29.953 14.435 1.00 14.62 C ATOM 891 O GLN A 60 42.396 30.634 13.433 1.00 15.17 O ATOM 892 CB GLN A 60 40.249 29.458 16.190 1.00 13.59 C ATOM 893 CG GLN A 60 39.063 30.137 16.834 1.00 14.06 C ATOM 894 CD GLN A 60 38.339 29.538 17.979 1.00 14.43 C ATOM 895 OE1 GLN A 60 38.433 28.359 18.268 1.00 15.12 O ATOM 896 NE2 GLN A 60 37.564 30.352 18.727 1.00 15.29 N ATOM 897 HA GLN A 60 41.443 31.141 16.063 1.00 0.00 H ATOM 898 HB2 GLN A 60 39.910 28.632 15.565 1.00 0.00 H ATOM 899 HB3 GLN A 60 40.922 29.078 16.958 1.00 0.00 H ATOM 900 HG2 GLN A 60 39.416 31.111 17.172 1.00 0.00 H ATOM 901 HG3 GLN A 60 38.324 30.274 16.044 1.00 0.00 H ATOM 902 HE22 GLN A 60 37.481 31.360 18.483 1.00 0.00 H ATOM 903 HE21 GLN A 60 37.050 29.971 19.547 1.00 0.00 H ATOM 904 H GLN A 60 39.255 30.478 14.014 1.00 0.00 H ATOM 905 N LYS A 61 42.595 28.814 14.756 1.00 14.72 N ATOM 906 CA LYS A 61 43.734 28.275 14.046 1.00 15.62 C ATOM 907 C LYS A 61 43.467 27.770 12.642 1.00 14.72 C ATOM 908 O LYS A 61 42.758 26.791 12.523 1.00 14.35 O ATOM 909 CB LYS A 61 44.328 27.176 14.981 1.00 16.83 C ATOM 910 CG LYS A 61 45.616 26.530 14.599 1.00 18.67 C ATOM 911 CD LYS A 61 46.765 27.508 14.659 1.00 20.92 C ATOM 912 CE LYS A 61 48.108 26.937 14.163 1.00 22.22 C ATOM 913 NZ LYS A 61 49.039 28.124 14.140 1.00 23.70 N ATOM 914 HA LYS A 61 44.441 29.081 13.847 1.00 0.00 H ATOM 915 HB2 LYS A 61 44.476 27.633 15.960 1.00 0.00 H ATOM 916 HB3 LYS A 61 43.583 26.384 15.060 1.00 0.00 H ATOM 917 HG2 LYS A 61 45.816 25.706 15.284 1.00 0.00 H ATOM 918 HG3 LYS A 61 45.531 26.144 13.583 1.00 0.00 H ATOM 919 HD2 LYS A 61 46.512 28.371 14.043 1.00 0.00 H ATOM 920 HD3 LYS A 61 46.890 27.826 15.694 1.00 0.00 H ATOM 921 HE2 LYS A 61 48.001 26.512 13.165 1.00 0.00 H ATOM 922 HE3 LYS A 61 48.477 26.171 14.845 1.00 0.00 H ATOM 923 HZ1 LYS A 61 48.662 28.846 13.494 1.00 0.00 H ATOM 924 HZ2 LYS A 61 49.116 28.521 15.098 1.00 0.00 H ATOM 925 HZ3 LYS A 61 49.978 27.820 13.812 1.00 0.00 H ATOM 926 H LYS A 61 42.203 28.274 15.554 1.00 0.00 H ATOM 927 N ASN A 62 44.075 28.361 11.671 1.00 14.66 N ATOM 928 CA ASN A 62 44.021 27.906 10.265 1.00 15.58 C ATOM 929 C ASN A 62 45.000 26.701 10.067 1.00 15.56 C ATOM 930 O ASN A 62 46.231 26.686 10.270 1.00 17.14 O ATOM 931 CB ASN A 62 44.268 29.089 9.322 1.00 15.33 C ATOM 932 CG ASN A 62 44.263 28.879 7.808 1.00 14.84 C ATOM 933 OD1 ASN A 62 45.214 29.273 7.125 1.00 14.22 O ATOM 934 ND2 ASN A 62 43.233 28.178 7.358 1.00 15.11 N ATOM 935 HA ASN A 62 43.028 27.533 10.013 1.00 0.00 H ATOM 936 HB2 ASN A 62 43.498 29.830 9.539 1.00 0.00 H ATOM 937 HB3 ASN A 62 45.246 29.497 9.579 1.00 0.00 H ATOM 938 HD22 ASN A 62 42.476 27.889 8.010 1.00 0.00 H ATOM 939 HD21 ASN A 62 43.181 27.916 6.353 1.00 0.00 H ATOM 940 H ASN A 62 44.637 29.208 11.889 1.00 0.00 H ATOM 941 N VAL A 63 44.418 25.621 9.582 1.00 14.05 N ATOM 942 CA VAL A 63 44.986 24.295 9.248 1.00 13.80 C ATOM 943 C VAL A 63 44.440 23.759 7.868 1.00 13.23 C ATOM 944 O VAL A 63 43.249 23.957 7.455 1.00 14.49 O ATOM 945 CB VAL A 63 44.723 23.369 10.492 1.00 13.46 C ATOM 946 CG1 VAL A 63 45.288 23.851 11.810 1.00 13.27 C ATOM 947 CG2 VAL A 63 43.182 23.119 10.620 1.00 13.59 C ATOM 948 HA VAL A 63 46.062 24.334 9.078 1.00 0.00 H ATOM 949 HB VAL A 63 45.269 22.447 10.292 1.00 0.00 H ATOM 950 HG11 VAL A 63 46.371 23.946 11.727 1.00 0.00 H ATOM 951 HG12 VAL A 63 44.855 24.820 12.057 1.00 0.00 H ATOM 952 HG13 VAL A 63 45.044 23.133 12.593 1.00 0.00 H ATOM 953 HG21 VAL A 63 42.670 24.072 10.754 1.00 0.00 H ATOM 954 HG22 VAL A 63 42.817 22.634 9.715 1.00 0.00 H ATOM 955 HG23 VAL A 63 42.989 22.478 11.480 1.00 0.00 H ATOM 956 H VAL A 63 43.397 25.716 9.406 1.00 0.00 H ATOM 957 N ALA A 64 45.289 23.065 7.137 1.00 12.17 N ATOM 958 CA ALA A 64 44.832 22.409 5.877 1.00 12.14 C ATOM 959 C ALA A 64 43.737 21.420 6.238 1.00 12.66 C ATOM 960 O ALA A 64 43.777 20.645 7.243 1.00 11.93 O ATOM 961 CB ALA A 64 46.027 21.811 5.206 1.00 10.38 C ATOM 962 HA ALA A 64 44.396 23.103 5.158 1.00 0.00 H ATOM 963 HB1 ALA A 64 46.747 22.598 4.981 1.00 0.00 H ATOM 964 HB2 ALA A 64 46.484 21.076 5.869 1.00 0.00 H ATOM 965 HB3 ALA A 64 45.717 21.325 4.281 1.00 0.00 H ATOM 966 H ALA A 64 46.280 22.974 7.439 1.00 0.00 H ATOM 967 N CYS A 65 42.702 21.310 5.441 1.00 13.48 N ATOM 968 CA CYS A 65 41.701 20.229 5.633 1.00 13.43 C ATOM 969 C CYS A 65 42.414 18.909 5.224 1.00 13.95 C ATOM 970 O CYS A 65 43.499 18.804 4.584 1.00 12.26 O ATOM 971 CB CYS A 65 40.529 20.563 4.726 1.00 14.01 C ATOM 972 SG CYS A 65 39.867 22.174 4.938 1.00 14.46 S ATOM 973 HA CYS A 65 41.329 20.127 6.653 1.00 0.00 H ATOM 974 HB2 CYS A 65 39.735 19.842 4.919 1.00 0.00 H ATOM 975 HB3 CYS A 65 40.862 20.467 3.693 1.00 0.00 H ATOM 976 H CYS A 65 42.580 21.989 4.663 1.00 0.00 H ATOM 977 N LYS A 66 41.811 17.807 5.639 1.00 14.73 N ATOM 978 CA LYS A 66 42.284 16.464 5.328 1.00 16.82 C ATOM 979 C LYS A 66 42.551 16.335 3.804 1.00 17.35 C ATOM 980 O LYS A 66 43.626 15.791 3.341 1.00 17.47 O ATOM 981 CB LYS A 66 41.206 15.496 5.766 1.00 18.67 C ATOM 982 CG LYS A 66 41.193 14.959 7.167 1.00 21.83 C ATOM 983 CD LYS A 66 39.757 14.399 7.538 1.00 24.84 C ATOM 984 CE LYS A 66 39.341 13.340 6.555 1.00 27.21 C ATOM 985 NZ LYS A 66 38.329 12.242 6.883 1.00 28.85 N ATOM 986 HA LYS A 66 43.219 16.249 5.846 1.00 0.00 H ATOM 987 HB2 LYS A 66 40.252 16.001 5.615 1.00 0.00 H ATOM 988 HB3 LYS A 66 41.269 14.635 5.101 1.00 0.00 H ATOM 989 HG2 LYS A 66 41.924 14.154 7.249 1.00 0.00 H ATOM 990 HG3 LYS A 66 41.456 15.759 7.860 1.00 0.00 H ATOM 991 HD2 LYS A 66 39.786 13.969 8.539 1.00 0.00 H ATOM 992 HD3 LYS A 66 39.035 15.215 7.515 1.00 0.00 H ATOM 993 HE2 LYS A 66 40.257 12.826 6.264 1.00 0.00 H ATOM 994 HE3 LYS A 66 38.936 13.873 5.695 1.00 0.00 H ATOM 995 HZ1 LYS A 66 38.680 11.676 7.682 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.419 12.676 7.138 1.00 0.00 H ATOM 997 HZ3 LYS A 66 38.202 11.630 6.052 1.00 0.00 H ATOM 998 H LYS A 66 40.953 17.904 6.219 1.00 0.00 H ATOM 999 N ASN A 67 41.609 16.872 2.991 1.00 17.10 N ATOM 1000 CA ASN A 67 41.727 16.921 1.535 1.00 17.64 C ATOM 1001 C ASN A 67 42.770 17.941 0.995 1.00 16.71 C ATOM 1002 O ASN A 67 42.925 17.865 -0.275 1.00 15.77 O ATOM 1003 CB ASN A 67 40.401 17.137 0.811 1.00 19.25 C ATOM 1004 CG ASN A 67 39.879 18.599 0.830 1.00 21.52 C ATOM 1005 OD1 ASN A 67 40.224 19.534 1.625 1.00 22.04 O ATOM 1006 ND2 ASN A 67 39.011 18.940 -0.199 1.00 22.48 N ATOM 1007 HA ASN A 67 42.093 15.920 1.306 1.00 0.00 H ATOM 1008 HB2 ASN A 67 40.529 16.836 -0.229 1.00 0.00 H ATOM 1009 HB3 ASN A 67 39.650 16.502 1.282 1.00 0.00 H ATOM 1010 HD22 ASN A 67 38.697 18.216 -0.876 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.675 19.920 -0.292 1.00 0.00 H ATOM 1012 H ASN A 67 40.754 17.272 3.428 1.00 0.00 H ATOM 1013 N GLY A 68 43.409 18.794 1.781 1.00 15.86 N ATOM 1014 CA GLY A 68 44.438 19.723 1.229 1.00 16.12 C ATOM 1015 C GLY A 68 43.962 21.164 1.134 1.00 15.98 C ATOM 1016 O GLY A 68 44.794 22.049 0.851 1.00 17.37 O ATOM 1017 HA3 GLY A 68 44.711 19.382 0.230 1.00 0.00 H ATOM 1018 HA2 GLY A 68 45.315 19.691 1.875 1.00 0.00 H ATOM 1019 H GLY A 68 43.191 18.817 2.798 1.00 0.00 H ATOM 1020 N GLN A 69 42.712 21.488 1.359 1.00 15.89 N ATOM 1021 CA GLN A 69 42.100 22.788 1.285 1.00 15.39 C ATOM 1022 C GLN A 69 42.592 23.588 2.463 1.00 14.41 C ATOM 1023 O GLN A 69 42.865 22.964 3.422 1.00 14.63 O ATOM 1024 CB GLN A 69 40.585 22.806 1.329 1.00 16.87 C ATOM 1025 CG GLN A 69 40.136 22.575 -0.097 1.00 17.99 C ATOM 1026 CD GLN A 69 38.636 22.366 -0.044 1.00 20.25 C ATOM 1027 OE1 GLN A 69 38.125 21.495 -0.772 1.00 21.55 O ATOM 1028 NE2 GLN A 69 37.957 23.122 0.849 1.00 20.78 N ATOM 1029 HA GLN A 69 42.379 23.195 0.313 1.00 0.00 H ATOM 1030 HB2 GLN A 69 40.213 22.014 1.979 1.00 0.00 H ATOM 1031 HB3 GLN A 69 40.226 23.769 1.690 1.00 0.00 H ATOM 1032 HG2 GLN A 69 40.375 23.442 -0.713 1.00 0.00 H ATOM 1033 HG3 GLN A 69 40.626 21.692 -0.509 1.00 0.00 H ATOM 1034 HE22 GLN A 69 38.461 23.830 1.420 1.00 0.00 H ATOM 1035 HE21 GLN A 69 36.931 22.995 0.964 1.00 0.00 H ATOM 1036 H GLN A 69 42.082 20.705 1.625 1.00 0.00 H ATOM 1037 N THR A 70 42.708 24.832 2.244 1.00 13.76 N ATOM 1038 CA THR A 70 43.335 25.816 3.123 1.00 14.32 C ATOM 1039 C THR A 70 42.343 26.604 3.906 1.00 13.77 C ATOM 1040 O THR A 70 42.762 27.366 4.784 1.00 13.43 O ATOM 1041 CB THR A 70 44.284 26.475 2.086 1.00 15.40 C ATOM 1042 OG1 THR A 70 45.619 26.350 2.591 1.00 17.05 O ATOM 1043 CG2 THR A 70 43.955 27.831 1.604 1.00 14.22 C ATOM 1044 HA THR A 70 43.902 25.488 3.994 1.00 0.00 H ATOM 1045 HB THR A 70 44.153 25.928 1.153 1.00 0.00 H ATOM 1046 HG1 THR A 70 46.252 26.762 1.951 1.00 0.00 H ATOM 1047 HG23 THR A 70 42.929 27.846 1.238 1.00 0.00 H ATOM 1048 HG21 THR A 70 44.060 28.542 2.424 1.00 0.00 H ATOM 1049 HG22 THR A 70 44.634 28.103 0.796 1.00 0.00 H ATOM 1050 H THR A 70 42.317 25.187 1.348 1.00 0.00 H ATOM 1051 N ASN A 71 41.073 26.361 3.667 1.00 13.52 N ATOM 1052 CA ASN A 71 39.977 26.990 4.474 1.00 13.17 C ATOM 1053 C ASN A 71 39.443 26.178 5.687 1.00 12.10 C ATOM 1054 O ASN A 71 38.216 26.256 5.961 1.00 11.34 O ATOM 1055 CB ASN A 71 38.808 27.453 3.617 1.00 12.72 C ATOM 1056 CG ASN A 71 37.976 26.337 3.080 1.00 12.35 C ATOM 1057 OD1 ASN A 71 38.444 25.215 2.768 1.00 12.92 O ATOM 1058 ND2 ASN A 71 36.710 26.610 2.886 1.00 12.51 N ATOM 1059 HA ASN A 71 40.490 27.849 4.906 1.00 0.00 H ATOM 1060 HB2 ASN A 71 38.170 28.096 4.223 1.00 0.00 H ATOM 1061 HB3 ASN A 71 39.203 28.023 2.776 1.00 0.00 H ATOM 1062 HD22 ASN A 71 36.333 27.543 3.148 1.00 0.00 H ATOM 1063 HD21 ASN A 71 36.081 25.894 2.470 1.00 0.00 H ATOM 1064 H ASN A 71 40.821 25.712 2.894 1.00 0.00 H ATOM 1065 N CYS A 72 40.368 25.527 6.396 1.00 12.08 N ATOM 1066 CA CYS A 72 39.991 24.794 7.630 1.00 12.31 C ATOM 1067 C CYS A 72 40.653 25.519 8.864 1.00 10.88 C ATOM 1068 O CYS A 72 41.668 26.200 8.778 1.00 9.92 O ATOM 1069 CB CYS A 72 40.249 23.302 7.652 1.00 12.52 C ATOM 1070 SG CYS A 72 39.087 22.279 6.761 1.00 11.97 S ATOM 1071 HA CYS A 72 38.903 24.835 7.674 1.00 0.00 H ATOM 1072 HB2 CYS A 72 40.243 22.980 8.693 1.00 0.00 H ATOM 1073 HB3 CYS A 72 41.237 23.130 7.225 1.00 0.00 H ATOM 1074 H CYS A 72 41.359 25.534 6.081 1.00 0.00 H ATOM 1075 N TYR A 73 39.966 25.352 9.970 1.00 11.71 N ATOM 1076 CA TYR A 73 40.244 25.997 11.274 1.00 11.57 C ATOM 1077 C TYR A 73 40.030 25.005 12.426 1.00 12.72 C ATOM 1078 O TYR A 73 39.000 24.336 12.562 1.00 12.57 O ATOM 1079 CB TYR A 73 39.387 27.291 11.555 1.00 12.17 C ATOM 1080 CG TYR A 73 39.610 28.325 10.494 1.00 12.40 C ATOM 1081 CD1 TYR A 73 40.587 29.298 10.532 1.00 13.28 C ATOM 1082 CD2 TYR A 73 38.883 28.182 9.302 1.00 13.06 C ATOM 1083 CE1 TYR A 73 40.753 30.185 9.470 1.00 13.94 C ATOM 1084 CE2 TYR A 73 39.010 29.036 8.231 1.00 13.40 C ATOM 1085 CZ TYR A 73 39.979 29.983 8.334 1.00 14.31 C ATOM 1086 OH TYR A 73 40.116 30.784 7.168 1.00 16.74 O ATOM 1087 HA TYR A 73 41.287 26.310 11.216 1.00 0.00 H ATOM 1088 HB3 TYR A 73 39.673 27.705 12.522 1.00 0.00 H ATOM 1089 HB2 TYR A 73 38.331 27.022 11.574 1.00 0.00 H ATOM 1090 HD2 TYR A 73 38.182 27.352 9.221 1.00 0.00 H ATOM 1091 HE2 TYR A 73 38.371 28.958 7.352 1.00 0.00 H ATOM 1092 HE1 TYR A 73 41.465 31.008 9.529 1.00 0.00 H ATOM 1093 HD1 TYR A 73 41.237 29.374 11.403 1.00 0.00 H ATOM 1094 HH TYR A 73 39.262 31.252 6.988 1.00 0.00 H ATOM 1095 H TYR A 73 39.151 24.707 9.927 1.00 0.00 H ATOM 1096 N GLN A 74 40.959 24.983 13.312 1.00 13.07 N ATOM 1097 CA GLN A 74 40.944 24.152 14.493 1.00 15.27 C ATOM 1098 C GLN A 74 40.677 25.077 15.694 1.00 14.85 C ATOM 1099 O GLN A 74 41.207 26.164 15.837 1.00 15.51 O ATOM 1100 CB GLN A 74 42.219 23.364 14.622 1.00 16.08 C ATOM 1101 CG GLN A 74 42.028 22.534 15.903 1.00 17.62 C ATOM 1102 CD GLN A 74 43.391 22.314 16.418 1.00 20.28 C ATOM 1103 OE1 GLN A 74 44.186 21.734 15.680 1.00 22.77 O ATOM 1104 NE2 GLN A 74 43.720 22.908 17.574 1.00 22.26 N ATOM 1105 HA GLN A 74 40.156 23.401 14.438 1.00 0.00 H ATOM 1106 HB2 GLN A 74 42.360 22.714 13.758 1.00 0.00 H ATOM 1107 HB3 GLN A 74 43.076 24.030 14.718 1.00 0.00 H ATOM 1108 HG2 GLN A 74 41.427 23.081 16.629 1.00 0.00 H ATOM 1109 HG3 GLN A 74 41.545 21.583 15.676 1.00 0.00 H ATOM 1110 HE22 GLN A 74 42.988 23.379 18.143 1.00 0.00 H ATOM 1111 HE21 GLN A 74 44.707 22.898 17.901 1.00 0.00 H ATOM 1112 H GLN A 74 41.779 25.607 13.169 1.00 0.00 H ATOM 1113 N SER A 75 39.802 24.619 16.538 1.00 16.04 N ATOM 1114 CA SER A 75 39.306 25.298 17.717 1.00 15.49 C ATOM 1115 C SER A 75 40.457 25.419 18.677 1.00 16.02 C ATOM 1116 O SER A 75 41.114 24.417 18.817 1.00 16.40 O ATOM 1117 CB SER A 75 38.158 24.554 18.349 1.00 15.49 C ATOM 1118 OG SER A 75 38.326 23.185 18.515 1.00 15.64 O ATOM 1119 HA SER A 75 38.920 26.281 17.446 1.00 0.00 H ATOM 1120 HB2 SER A 75 37.279 24.707 17.723 1.00 0.00 H ATOM 1121 HB3 SER A 75 37.982 24.989 19.333 1.00 0.00 H ATOM 1122 HG SER A 75 39.111 23.018 19.095 1.00 0.00 H ATOM 1123 H SER A 75 39.420 23.671 16.348 1.00 0.00 H ATOM 1124 N TYR A 76 40.558 26.547 19.287 1.00 17.16 N ATOM 1125 CA TYR A 76 41.620 26.681 20.294 1.00 18.87 C ATOM 1126 C TYR A 76 41.294 25.779 21.485 1.00 18.83 C ATOM 1127 O TYR A 76 42.257 25.249 22.092 1.00 20.84 O ATOM 1128 CB TYR A 76 41.695 28.145 20.743 1.00 19.26 C ATOM 1129 CG TYR A 76 42.368 29.025 19.716 1.00 20.09 C ATOM 1130 CD1 TYR A 76 43.457 28.537 19.032 1.00 20.86 C ATOM 1131 CD2 TYR A 76 41.952 30.344 19.530 1.00 20.72 C ATOM 1132 CE1 TYR A 76 44.125 29.352 18.113 1.00 21.37 C ATOM 1133 CE2 TYR A 76 42.588 31.171 18.605 1.00 21.33 C ATOM 1134 CZ TYR A 76 43.638 30.635 17.904 1.00 21.68 C ATOM 1135 OH TYR A 76 44.318 31.430 17.043 1.00 23.57 O ATOM 1136 HA TYR A 76 42.581 26.384 19.875 1.00 0.00 H ATOM 1137 HB3 TYR A 76 42.259 28.198 21.674 1.00 0.00 H ATOM 1138 HB2 TYR A 76 40.683 28.513 20.911 1.00 0.00 H ATOM 1139 HD2 TYR A 76 41.119 30.733 20.116 1.00 0.00 H ATOM 1140 HE2 TYR A 76 42.265 32.200 18.446 1.00 0.00 H ATOM 1141 HE1 TYR A 76 45.002 28.991 17.577 1.00 0.00 H ATOM 1142 HD1 TYR A 76 43.799 27.517 19.206 1.00 0.00 H ATOM 1143 HH TYR A 76 45.042 30.908 16.615 1.00 0.00 H ATOM 1144 H TYR A 76 39.912 27.334 19.076 1.00 0.00 H ATOM 1145 N SER A 77 40.049 25.538 21.797 1.00 18.51 N ATOM 1146 CA SER A 77 39.632 24.722 22.930 1.00 18.43 C ATOM 1147 C SER A 77 38.955 23.412 22.528 1.00 17.34 C ATOM 1148 O SER A 77 38.522 23.278 21.397 1.00 15.90 O ATOM 1149 CB SER A 77 38.666 25.548 23.804 1.00 19.71 C ATOM 1150 OG SER A 77 38.683 25.003 25.132 1.00 21.34 O ATOM 1151 HA SER A 77 40.534 24.447 23.476 1.00 0.00 H ATOM 1152 HB2 SER A 77 37.657 25.491 23.395 1.00 0.00 H ATOM 1153 HB3 SER A 77 38.989 26.589 23.828 1.00 0.00 H ATOM 1154 HG SER A 77 38.067 25.522 25.708 1.00 0.00 H ATOM 1155 H SER A 77 39.308 25.955 21.199 1.00 0.00 H ATOM 1156 N THR A 78 38.910 22.526 23.517 1.00 17.06 N ATOM 1157 CA THR A 78 38.249 21.191 23.367 1.00 15.13 C ATOM 1158 C THR A 78 36.767 21.499 23.465 1.00 13.23 C ATOM 1159 O THR A 78 36.361 22.485 24.087 1.00 11.45 O ATOM 1160 CB THR A 78 38.777 20.018 24.181 1.00 15.86 C ATOM 1161 OG1 THR A 78 38.745 20.241 25.570 1.00 16.88 O ATOM 1162 CG2 THR A 78 40.231 19.636 24.060 1.00 15.47 C ATOM 1163 HA THR A 78 38.508 20.746 22.406 1.00 0.00 H ATOM 1164 HB THR A 78 38.112 19.262 23.764 1.00 0.00 H ATOM 1165 HG1 THR A 78 39.100 19.445 26.039 1.00 0.00 H ATOM 1166 HG23 THR A 78 40.462 19.417 23.018 1.00 0.00 H ATOM 1167 HG21 THR A 78 40.852 20.462 24.405 1.00 0.00 H ATOM 1168 HG22 THR A 78 40.426 18.754 24.670 1.00 0.00 H ATOM 1169 H THR A 78 39.350 22.768 24.428 1.00 0.00 H ATOM 1170 N MET A 79 35.971 20.702 22.746 1.00 12.17 N ATOM 1171 CA MET A 79 34.532 20.883 22.768 1.00 11.63 C ATOM 1172 C MET A 79 33.866 19.562 23.098 1.00 10.17 C ATOM 1173 O MET A 79 34.529 18.581 22.818 1.00 10.47 O ATOM 1174 CB MET A 79 33.954 21.461 21.458 1.00 12.34 C ATOM 1175 CG MET A 79 34.408 22.846 21.200 1.00 13.18 C ATOM 1176 SD MET A 79 33.608 23.508 19.734 1.00 14.90 S ATOM 1177 CE MET A 79 34.319 25.123 19.770 1.00 14.91 C ATOM 1178 HA MET A 79 34.319 21.625 23.538 1.00 0.00 H ATOM 1179 HB2 MET A 79 34.269 20.829 20.628 1.00 0.00 H ATOM 1180 HB3 MET A 79 32.866 21.456 21.524 1.00 0.00 H ATOM 1181 HG2 MET A 79 35.488 22.848 21.052 1.00 0.00 H ATOM 1182 HG3 MET A 79 34.159 23.471 22.058 1.00 0.00 H ATOM 1183 HE1 MET A 79 34.047 25.618 20.703 1.00 0.00 H ATOM 1184 HE2 MET A 79 35.404 25.043 19.703 1.00 0.00 H ATOM 1185 HE3 MET A 79 33.943 25.703 18.927 1.00 0.00 H ATOM 1186 H MET A 79 36.387 19.946 22.166 1.00 0.00 H ATOM 1187 N SER A 80 32.700 19.529 23.655 1.00 9.71 N ATOM 1188 CA SER A 80 31.934 18.301 23.963 1.00 9.56 C ATOM 1189 C SER A 80 31.281 17.875 22.633 1.00 10.30 C ATOM 1190 O SER A 80 30.520 18.650 22.042 1.00 9.83 O ATOM 1191 CB SER A 80 30.898 18.611 24.951 1.00 9.59 C ATOM 1192 OG SER A 80 29.867 17.623 24.901 1.00 10.58 O ATOM 1193 HA SER A 80 32.566 17.512 24.371 1.00 0.00 H ATOM 1194 HB2 SER A 80 30.472 19.590 24.733 1.00 0.00 H ATOM 1195 HB3 SER A 80 31.340 18.622 25.947 1.00 0.00 H ATOM 1196 HG SER A 80 29.171 17.840 25.571 1.00 0.00 H ATOM 1197 H SER A 80 32.265 20.439 23.907 1.00 0.00 H ATOM 1198 N ILE A 81 31.609 16.686 22.106 1.00 10.13 N ATOM 1199 CA ILE A 81 31.161 16.157 20.845 1.00 9.20 C ATOM 1200 C ILE A 81 30.674 14.727 21.035 1.00 9.72 C ATOM 1201 O ILE A 81 31.031 13.972 21.912 1.00 10.20 O ATOM 1202 CB ILE A 81 32.209 16.118 19.740 1.00 7.73 C ATOM 1203 CG1 ILE A 81 33.361 15.235 20.139 1.00 7.09 C ATOM 1204 CG2 ILE A 81 32.604 17.578 19.455 1.00 7.73 C ATOM 1205 CD1 ILE A 81 34.474 15.144 19.090 1.00 6.92 C ATOM 1206 HA ILE A 81 30.378 16.845 20.527 1.00 0.00 H ATOM 1207 HB ILE A 81 31.827 15.675 18.820 1.00 0.00 H ATOM 1208 HG12 ILE A 81 33.790 15.628 21.061 1.00 0.00 H ATOM 1209 HG13 ILE A 81 32.977 14.231 20.318 1.00 0.00 H ATOM 1210 HD11 ILE A 81 34.066 14.740 18.163 1.00 0.00 H ATOM 1211 HD12 ILE A 81 34.881 16.138 18.906 1.00 0.00 H ATOM 1212 HD13 ILE A 81 35.264 14.489 19.457 1.00 0.00 H ATOM 1213 HG21 ILE A 81 31.723 18.136 19.136 1.00 0.00 H ATOM 1214 HG22 ILE A 81 33.011 18.026 20.361 1.00 0.00 H ATOM 1215 HG23 ILE A 81 33.356 17.602 18.667 1.00 0.00 H ATOM 1216 H ILE A 81 32.251 16.087 22.664 1.00 0.00 H ATOM 1217 N THR A 82 29.835 14.358 20.052 1.00 9.66 N ATOM 1218 CA THR A 82 29.311 13.024 20.015 1.00 9.58 C ATOM 1219 C THR A 82 29.612 12.498 18.570 1.00 9.39 C ATOM 1220 O THR A 82 29.122 13.111 17.613 1.00 9.63 O ATOM 1221 CB THR A 82 27.852 12.818 20.353 1.00 8.94 C ATOM 1222 OG1 THR A 82 27.444 13.423 21.530 1.00 8.50 O ATOM 1223 CG2 THR A 82 27.586 11.314 20.506 1.00 8.53 C ATOM 1224 HA THR A 82 29.799 12.475 20.820 1.00 0.00 H ATOM 1225 HB THR A 82 27.293 13.275 19.537 1.00 0.00 H ATOM 1226 HG1 THR A 82 27.590 14.400 21.465 1.00 0.00 H ATOM 1227 HG23 THR A 82 27.894 10.797 19.597 1.00 0.00 H ATOM 1228 HG21 THR A 82 28.154 10.930 21.354 1.00 0.00 H ATOM 1229 HG22 THR A 82 26.522 11.150 20.675 1.00 0.00 H ATOM 1230 H THR A 82 29.565 15.042 19.316 1.00 0.00 H ATOM 1231 N ASP A 83 30.384 11.443 18.500 1.00 9.40 N ATOM 1232 CA ASP A 83 30.506 10.794 17.207 1.00 11.13 C ATOM 1233 C ASP A 83 29.535 9.650 17.022 1.00 10.00 C ATOM 1234 O ASP A 83 29.486 8.763 17.880 1.00 9.61 O ATOM 1235 CB ASP A 83 31.846 10.099 17.067 1.00 13.71 C ATOM 1236 CG ASP A 83 32.705 11.151 16.411 1.00 16.59 C ATOM 1237 OD1 ASP A 83 33.889 10.993 16.257 1.00 18.12 O ATOM 1238 OD2 ASP A 83 32.177 12.218 16.054 1.00 18.87 O ATOM 1239 HA ASP A 83 30.340 11.603 16.495 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.246 9.818 18.041 1.00 0.00 H ATOM 1241 HB3 ASP A 83 31.764 9.212 16.439 1.00 0.00 H ATOM 1242 H ASP A 83 30.889 11.085 19.336 1.00 0.00 H ATOM 1243 N CYS A 84 28.836 9.590 15.933 1.00 10.12 N ATOM 1244 CA CYS A 84 27.901 8.538 15.539 1.00 12.34 C ATOM 1245 C CYS A 84 28.448 7.739 14.342 1.00 13.79 C ATOM 1246 O CYS A 84 28.666 8.302 13.298 1.00 13.81 O ATOM 1247 CB CYS A 84 26.615 9.172 15.030 1.00 12.43 C ATOM 1248 SG CYS A 84 25.811 10.183 16.325 1.00 12.16 S ATOM 1249 HA CYS A 84 27.746 7.900 16.409 1.00 0.00 H ATOM 1250 HB2 CYS A 84 25.930 8.384 14.719 1.00 0.00 H ATOM 1251 HB3 CYS A 84 26.847 9.808 14.176 1.00 0.00 H ATOM 1252 H CYS A 84 28.953 10.378 15.265 1.00 0.00 H ATOM 1253 N ARG A 85 28.692 6.486 14.549 1.00 15.49 N ATOM 1254 CA ARG A 85 29.237 5.609 13.514 1.00 17.26 C ATOM 1255 C ARG A 85 28.317 4.423 13.314 1.00 15.89 C ATOM 1256 O ARG A 85 27.805 3.830 14.256 1.00 16.48 O ATOM 1257 CB ARG A 85 30.511 5.025 14.040 1.00 20.36 C ATOM 1258 CG ARG A 85 31.371 4.362 12.978 1.00 24.02 C ATOM 1259 CD ARG A 85 32.202 5.594 12.653 1.00 27.50 C ATOM 1260 NE ARG A 85 32.944 5.785 13.902 1.00 30.56 N ATOM 1261 CZ ARG A 85 33.949 6.661 14.027 1.00 33.55 C ATOM 1262 NH1 ARG A 85 34.328 7.436 12.997 1.00 34.27 N ATOM 1263 NH2 ARG A 85 34.626 6.733 15.199 1.00 34.74 N ATOM 1264 HA ARG A 85 29.365 6.178 12.593 1.00 0.00 H ATOM 1265 HB2 ARG A 85 31.091 5.825 14.501 1.00 0.00 H ATOM 1266 HB3 ARG A 85 30.261 4.279 14.794 1.00 0.00 H ATOM 1267 HG2 ARG A 85 31.970 3.542 13.373 1.00 0.00 H ATOM 1268 HG3 ARG A 85 30.790 4.009 12.126 1.00 0.00 H ATOM 1269 HD2 ARG A 85 31.570 6.453 12.430 1.00 0.00 H ATOM 1270 HD3 ARG A 85 32.874 5.411 11.814 1.00 0.00 H ATOM 1271 HE ARG A 85 32.678 5.214 14.729 1.00 0.00 H ATOM 1272 HH12 ARG A 85 35.111 8.110 13.114 1.00 0.00 H ATOM 1273 HH11 ARG A 85 33.838 7.362 12.083 1.00 0.00 H ATOM 1274 HH22 ARG A 85 35.408 7.410 15.307 1.00 0.00 H ATOM 1275 HH21 ARG A 85 34.363 6.111 15.990 1.00 0.00 H ATOM 1276 H ARG A 85 28.493 6.087 15.488 1.00 0.00 H ATOM 1277 N GLU A 86 28.108 4.107 12.056 1.00 15.79 N ATOM 1278 CA GLU A 86 27.246 3.010 11.631 1.00 15.29 C ATOM 1279 C GLU A 86 27.832 1.692 12.124 1.00 15.63 C ATOM 1280 O GLU A 86 29.037 1.427 12.074 1.00 15.58 O ATOM 1281 CB GLU A 86 27.064 3.145 10.101 1.00 14.38 C ATOM 1282 CG GLU A 86 25.960 2.300 9.544 1.00 14.19 C ATOM 1283 CD GLU A 86 25.796 2.306 8.013 1.00 13.28 C ATOM 1284 OE1 GLU A 86 24.744 1.919 7.634 1.00 12.57 O ATOM 1285 OE2 GLU A 86 26.762 2.666 7.406 1.00 13.52 O ATOM 1286 HA GLU A 86 26.247 3.039 12.067 1.00 0.00 H ATOM 1287 HB2 GLU A 86 26.847 4.188 9.872 1.00 0.00 H ATOM 1288 HB3 GLU A 86 27.996 2.854 9.617 1.00 0.00 H ATOM 1289 HG2 GLU A 86 26.142 1.271 9.854 1.00 0.00 H ATOM 1290 HG3 GLU A 86 25.024 2.649 9.979 1.00 0.00 H ATOM 1291 H GLU A 86 28.584 4.670 11.323 1.00 0.00 H ATOM 1292 N THR A 87 26.949 0.884 12.661 1.00 15.72 N ATOM 1293 CA THR A 87 27.069 -0.458 13.251 1.00 17.05 C ATOM 1294 C THR A 87 26.863 -1.566 12.212 1.00 17.12 C ATOM 1295 O THR A 87 26.217 -1.343 11.190 1.00 16.40 O ATOM 1296 CB THR A 87 25.962 -0.386 14.306 1.00 17.66 C ATOM 1297 OG1 THR A 87 26.630 -0.108 15.532 1.00 18.73 O ATOM 1298 CG2 THR A 87 25.010 -1.518 14.454 1.00 18.32 C ATOM 1299 HA THR A 87 28.050 -0.705 13.658 1.00 0.00 H ATOM 1300 HB THR A 87 25.269 0.384 13.965 1.00 0.00 H ATOM 1301 HG1 THR A 87 25.965 -0.048 16.263 1.00 0.00 H ATOM 1302 HG23 THR A 87 24.517 -1.704 13.500 1.00 0.00 H ATOM 1303 HG21 THR A 87 25.554 -2.410 14.763 1.00 0.00 H ATOM 1304 HG22 THR A 87 24.263 -1.267 15.207 1.00 0.00 H ATOM 1305 H THR A 87 25.981 1.264 12.672 1.00 0.00 H ATOM 1306 N GLY A 88 27.406 -2.742 12.500 1.00 17.39 N ATOM 1307 CA GLY A 88 27.344 -3.928 11.653 1.00 17.82 C ATOM 1308 C GLY A 88 25.911 -4.406 11.581 1.00 18.26 C ATOM 1309 O GLY A 88 25.551 -5.252 10.726 1.00 20.94 O ATOM 1310 HA3 GLY A 88 27.971 -4.713 12.076 1.00 0.00 H ATOM 1311 HA2 GLY A 88 27.698 -3.682 10.652 1.00 0.00 H ATOM 1312 H GLY A 88 27.917 -2.825 13.402 1.00 0.00 H ATOM 1313 N SER A 89 25.046 -3.961 12.400 1.00 17.50 N ATOM 1314 CA SER A 89 23.628 -4.271 12.459 1.00 18.06 C ATOM 1315 C SER A 89 22.749 -3.290 11.585 1.00 17.83 C ATOM 1316 O SER A 89 21.506 -3.407 11.486 1.00 16.82 O ATOM 1317 CB SER A 89 23.102 -4.097 13.885 1.00 18.93 C ATOM 1318 OG SER A 89 23.241 -5.244 14.701 1.00 20.56 O ATOM 1319 HA SER A 89 23.546 -5.295 12.093 1.00 0.00 H ATOM 1320 HB2 SER A 89 22.043 -3.843 13.830 1.00 0.00 H ATOM 1321 HB3 SER A 89 23.647 -3.277 14.353 1.00 0.00 H ATOM 1322 HG SER A 89 22.880 -5.052 15.602 1.00 0.00 H ATOM 1323 H SER A 89 25.397 -3.293 13.116 1.00 0.00 H ATOM 1324 N SER A 90 23.425 -2.296 11.012 1.00 17.79 N ATOM 1325 CA SER A 90 22.831 -1.223 10.186 1.00 18.10 C ATOM 1326 C SER A 90 22.430 -1.739 8.768 1.00 18.81 C ATOM 1327 O SER A 90 23.218 -2.276 7.992 1.00 18.93 O ATOM 1328 CB SER A 90 23.823 -0.095 10.122 1.00 17.35 C ATOM 1329 OG SER A 90 23.081 1.039 9.703 1.00 18.56 O ATOM 1330 HA SER A 90 21.904 -0.871 10.638 1.00 0.00 H ATOM 1331 HB2 SER A 90 24.612 -0.321 9.404 1.00 0.00 H ATOM 1332 HB3 SER A 90 24.265 0.080 11.103 1.00 0.00 H ATOM 1333 HG SER A 90 23.684 1.822 9.641 1.00 0.00 H ATOM 1334 H SER A 90 24.455 -2.272 11.157 1.00 0.00 H ATOM 1335 N LYS A 91 21.147 -1.571 8.500 1.00 19.67 N ATOM 1336 CA LYS A 91 20.464 -1.967 7.264 1.00 20.50 C ATOM 1337 C LYS A 91 19.342 -1.007 6.841 1.00 17.44 C ATOM 1338 O LYS A 91 18.271 -1.148 7.413 1.00 15.95 O ATOM 1339 CB LYS A 91 19.795 -3.316 7.477 1.00 23.43 C ATOM 1340 CG LYS A 91 18.749 -4.035 6.629 1.00 25.97 C ATOM 1341 CD LYS A 91 19.060 -3.918 5.146 1.00 28.21 C ATOM 1342 CE LYS A 91 18.939 -5.242 4.400 1.00 30.30 C ATOM 1343 NZ LYS A 91 17.670 -5.996 4.664 1.00 32.21 N ATOM 1344 HA LYS A 91 21.233 -1.976 6.492 1.00 0.00 H ATOM 1345 HB2 LYS A 91 20.625 -4.020 7.530 1.00 0.00 H ATOM 1346 HB3 LYS A 91 19.330 -3.231 8.459 1.00 0.00 H ATOM 1347 HG2 LYS A 91 18.732 -5.089 6.906 1.00 0.00 H ATOM 1348 HG3 LYS A 91 17.771 -3.594 6.822 1.00 0.00 H ATOM 1349 HD2 LYS A 91 18.366 -3.205 4.701 1.00 0.00 H ATOM 1350 HD3 LYS A 91 20.079 -3.549 5.034 1.00 0.00 H ATOM 1351 HE2 LYS A 91 19.777 -5.875 4.692 1.00 0.00 H ATOM 1352 HE3 LYS A 91 18.996 -5.036 3.331 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 17.603 -6.215 5.679 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 16.857 -5.414 4.379 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 17.674 -6.881 4.117 1.00 0.00 H ATOM 1356 H LYS A 91 20.568 -1.116 9.234 1.00 0.00 H ATOM 1357 N TYR A 92 19.709 -0.190 5.880 1.00 16.08 N ATOM 1358 CA TYR A 92 18.786 0.815 5.302 1.00 14.50 C ATOM 1359 C TYR A 92 17.468 0.160 4.972 1.00 14.54 C ATOM 1360 O TYR A 92 17.457 -0.900 4.368 1.00 14.67 O ATOM 1361 CB TYR A 92 19.459 1.499 4.113 1.00 13.47 C ATOM 1362 CG TYR A 92 18.525 2.571 3.604 1.00 12.90 C ATOM 1363 CD1 TYR A 92 18.600 3.884 4.028 1.00 12.28 C ATOM 1364 CD2 TYR A 92 17.535 2.205 2.667 1.00 12.62 C ATOM 1365 CE1 TYR A 92 17.671 4.790 3.562 1.00 12.77 C ATOM 1366 CE2 TYR A 92 16.573 3.063 2.229 1.00 12.56 C ATOM 1367 CZ TYR A 92 16.661 4.395 2.648 1.00 13.92 C ATOM 1368 OH TYR A 92 15.747 5.295 2.098 1.00 14.01 O ATOM 1369 HA TYR A 92 18.561 1.603 6.021 1.00 0.00 H ATOM 1370 HB3 TYR A 92 19.650 0.770 3.326 1.00 0.00 H ATOM 1371 HB2 TYR A 92 20.401 1.947 4.428 1.00 0.00 H ATOM 1372 HD2 TYR A 92 17.541 1.188 2.276 1.00 0.00 H ATOM 1373 HE2 TYR A 92 15.766 2.726 1.578 1.00 0.00 H ATOM 1374 HE1 TYR A 92 17.713 5.825 3.901 1.00 0.00 H ATOM 1375 HD1 TYR A 92 19.381 4.199 4.720 1.00 0.00 H ATOM 1376 HH TYR A 92 15.910 6.198 2.470 1.00 0.00 H ATOM 1377 H TYR A 92 20.680 -0.251 5.512 1.00 0.00 H ATOM 1378 N PRO A 93 16.350 0.746 5.374 1.00 15.02 N ATOM 1379 CA PRO A 93 16.184 2.021 6.037 1.00 14.99 C ATOM 1380 C PRO A 93 16.411 2.104 7.537 1.00 15.55 C ATOM 1381 O PRO A 93 16.258 3.187 8.159 1.00 15.66 O ATOM 1382 CB PRO A 93 14.752 2.377 5.685 1.00 15.02 C ATOM 1383 CG PRO A 93 14.004 1.051 5.450 1.00 15.15 C ATOM 1384 CD PRO A 93 15.055 0.067 4.996 1.00 15.09 C ATOM 1385 HA PRO A 93 16.965 2.701 5.696 1.00 0.00 H ATOM 1386 HD3 PRO A 93 14.948 -0.886 5.513 1.00 0.00 H ATOM 1387 HD2 PRO A 93 14.999 -0.097 3.920 1.00 0.00 H ATOM 1388 HG3 PRO A 93 13.241 1.175 4.681 1.00 0.00 H ATOM 1389 HG2 PRO A 93 13.536 0.709 6.373 1.00 0.00 H ATOM 1390 HB2 PRO A 93 14.290 2.928 6.505 1.00 0.00 H ATOM 1391 HB3 PRO A 93 14.728 2.986 4.781 1.00 0.00 H ATOM 1392 N ASN A 94 16.738 0.992 8.141 1.00 15.79 N ATOM 1393 CA ASN A 94 16.976 0.949 9.591 1.00 17.09 C ATOM 1394 C ASN A 94 18.474 1.167 9.857 1.00 15.32 C ATOM 1395 O ASN A 94 19.171 0.169 9.937 1.00 15.88 O ATOM 1396 CB ASN A 94 16.470 -0.261 10.368 1.00 18.53 C ATOM 1397 CG ASN A 94 15.079 -0.700 10.015 1.00 21.31 C ATOM 1398 OD1 ASN A 94 14.083 -0.143 10.471 1.00 23.28 O ATOM 1399 ND2 ASN A 94 14.959 -1.769 9.190 1.00 23.62 N ATOM 1400 HA ASN A 94 16.354 1.754 9.983 1.00 0.00 H ATOM 1401 HB2 ASN A 94 17.147 -1.094 10.178 1.00 0.00 H ATOM 1402 HB3 ASN A 94 16.489 -0.014 11.430 1.00 0.00 H ATOM 1403 HD22 ASN A 94 15.810 -2.231 8.811 1.00 0.00 H ATOM 1404 HD21 ASN A 94 14.016 -2.127 8.936 1.00 0.00 H ATOM 1405 H ASN A 94 16.832 0.119 7.584 1.00 0.00 H ATOM 1406 N CYS A 95 18.880 2.389 9.868 1.00 13.96 N ATOM 1407 CA CYS A 95 20.295 2.749 10.105 1.00 13.57 C ATOM 1408 C CYS A 95 20.456 2.450 11.592 1.00 13.06 C ATOM 1409 O CYS A 95 19.503 2.551 12.384 1.00 13.38 O ATOM 1410 CB CYS A 95 20.549 4.130 9.527 1.00 12.96 C ATOM 1411 SG CYS A 95 20.005 4.188 7.755 1.00 13.40 S ATOM 1412 HA CYS A 95 21.091 2.202 9.600 1.00 0.00 H ATOM 1413 HB2 CYS A 95 21.614 4.355 9.585 1.00 0.00 H ATOM 1414 HB3 CYS A 95 19.990 4.870 10.101 1.00 0.00 H ATOM 1415 H CYS A 95 18.189 3.149 9.705 1.00 0.00 H ATOM 1416 N ALA A 96 21.674 2.011 11.954 1.00 12.04 N ATOM 1417 CA ALA A 96 21.887 1.691 13.387 1.00 11.69 C ATOM 1418 C ALA A 96 23.252 2.345 13.568 1.00 11.68 C ATOM 1419 O ALA A 96 23.938 2.124 12.548 1.00 11.41 O ATOM 1420 CB ALA A 96 21.898 0.208 13.721 1.00 10.77 C ATOM 1421 HA ALA A 96 21.091 2.038 14.045 1.00 0.00 H ATOM 1422 HB1 ALA A 96 20.941 -0.233 13.441 1.00 0.00 H ATOM 1423 HB2 ALA A 96 22.700 -0.281 13.169 1.00 0.00 H ATOM 1424 HB3 ALA A 96 22.060 0.079 14.791 1.00 0.00 H ATOM 1425 H ALA A 96 22.437 1.900 11.257 1.00 0.00 H ATOM 1426 N TYR A 97 23.511 3.035 14.652 1.00 12.11 N ATOM 1427 CA TYR A 97 24.777 3.741 14.953 1.00 11.81 C ATOM 1428 C TYR A 97 25.269 3.522 16.414 1.00 12.08 C ATOM 1429 O TYR A 97 24.454 3.219 17.234 1.00 11.89 O ATOM 1430 CB TYR A 97 24.666 5.295 14.831 1.00 10.80 C ATOM 1431 CG TYR A 97 24.284 5.718 13.422 1.00 9.22 C ATOM 1432 CD1 TYR A 97 25.326 6.124 12.544 1.00 8.09 C ATOM 1433 CD2 TYR A 97 22.943 5.708 13.015 1.00 8.73 C ATOM 1434 CE1 TYR A 97 24.997 6.495 11.250 1.00 7.72 C ATOM 1435 CE2 TYR A 97 22.688 6.089 11.649 1.00 8.99 C ATOM 1436 CZ TYR A 97 23.733 6.471 10.798 1.00 7.63 C ATOM 1437 OH TYR A 97 23.364 6.869 9.544 1.00 8.14 O ATOM 1438 HA TYR A 97 25.461 3.319 14.217 1.00 0.00 H ATOM 1439 HB3 TYR A 97 25.628 5.740 15.086 1.00 0.00 H ATOM 1440 HB2 TYR A 97 23.906 5.652 15.526 1.00 0.00 H ATOM 1441 HD2 TYR A 97 22.138 5.428 13.694 1.00 0.00 H ATOM 1442 HE2 TYR A 97 21.665 6.080 11.272 1.00 0.00 H ATOM 1443 HE1 TYR A 97 25.791 6.817 10.576 1.00 0.00 H ATOM 1444 HD1 TYR A 97 26.362 6.143 12.882 1.00 0.00 H ATOM 1445 HH TYR A 97 24.171 7.116 9.027 1.00 0.00 H ATOM 1446 H TYR A 97 22.758 3.092 15.367 1.00 0.00 H ATOM 1447 N LYS A 98 26.533 3.642 16.567 1.00 12.68 N ATOM 1448 CA LYS A 98 27.240 3.527 17.842 1.00 14.31 C ATOM 1449 C LYS A 98 27.434 5.006 18.269 1.00 13.22 C ATOM 1450 O LYS A 98 27.921 5.744 17.368 1.00 12.97 O ATOM 1451 CB LYS A 98 28.559 2.758 17.654 1.00 15.93 C ATOM 1452 CG LYS A 98 29.636 2.514 18.732 1.00 18.26 C ATOM 1453 CD LYS A 98 29.037 2.294 20.126 1.00 20.68 C ATOM 1454 CE LYS A 98 29.258 1.012 20.846 1.00 23.24 C ATOM 1455 NZ LYS A 98 28.158 0.535 21.804 1.00 25.04 N ATOM 1456 HA LYS A 98 26.709 2.961 18.607 1.00 0.00 H ATOM 1457 HB2 LYS A 98 28.263 1.764 17.317 1.00 0.00 H ATOM 1458 HB3 LYS A 98 29.077 3.275 16.846 1.00 0.00 H ATOM 1459 HG2 LYS A 98 30.212 1.631 18.456 1.00 0.00 H ATOM 1460 HG3 LYS A 98 30.296 3.380 18.768 1.00 0.00 H ATOM 1461 HD2 LYS A 98 29.432 3.084 20.765 1.00 0.00 H ATOM 1462 HD3 LYS A 98 27.958 2.415 20.026 1.00 0.00 H ATOM 1463 HE2 LYS A 98 30.174 1.118 21.428 1.00 0.00 H ATOM 1464 HE3 LYS A 98 29.395 0.235 20.094 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 28.016 1.247 22.549 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 27.272 0.403 21.275 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 28.443 -0.367 22.235 1.00 0.00 H ATOM 1468 H LYS A 98 27.102 3.836 15.719 1.00 0.00 H ATOM 1469 N THR A 99 27.132 5.377 19.470 1.00 11.97 N ATOM 1470 CA THR A 99 27.309 6.696 20.087 1.00 12.50 C ATOM 1471 C THR A 99 28.578 6.782 20.896 1.00 13.78 C ATOM 1472 O THR A 99 28.766 5.983 21.826 1.00 14.21 O ATOM 1473 CB THR A 99 26.116 6.868 21.051 1.00 12.16 C ATOM 1474 OG1 THR A 99 24.991 6.695 20.260 1.00 11.97 O ATOM 1475 CG2 THR A 99 26.050 8.205 21.710 1.00 12.47 C ATOM 1476 HA THR A 99 27.363 7.461 19.312 1.00 0.00 H ATOM 1477 HB THR A 99 26.206 6.152 21.868 1.00 0.00 H ATOM 1478 HG1 THR A 99 24.985 7.378 19.543 1.00 0.00 H ATOM 1479 HG23 THR A 99 26.933 8.345 22.333 1.00 0.00 H ATOM 1480 HG21 THR A 99 26.014 8.983 20.948 1.00 0.00 H ATOM 1481 HG22 THR A 99 25.154 8.260 22.329 1.00 0.00 H ATOM 1482 H THR A 99 26.709 4.646 20.077 1.00 0.00 H ATOM 1483 N THR A 100 29.539 7.609 20.608 1.00 14.62 N ATOM 1484 CA THR A 100 30.755 7.850 21.362 1.00 15.54 C ATOM 1485 C THR A 100 30.777 9.319 21.820 1.00 15.77 C ATOM 1486 O THR A 100 30.787 10.248 21.006 1.00 15.88 O ATOM 1487 CB THR A 100 31.992 7.507 20.517 1.00 16.12 C ATOM 1488 OG1 THR A 100 31.718 6.169 20.129 1.00 17.03 O ATOM 1489 CG2 THR A 100 33.215 7.482 21.372 1.00 16.39 C ATOM 1490 HA THR A 100 30.776 7.206 22.241 1.00 0.00 H ATOM 1491 HB THR A 100 32.163 8.212 19.703 1.00 0.00 H ATOM 1492 HG1 THR A 100 32.460 5.831 19.568 1.00 0.00 H ATOM 1493 HG23 THR A 100 33.456 8.497 21.689 1.00 0.00 H ATOM 1494 HG21 THR A 100 33.032 6.860 22.248 1.00 0.00 H ATOM 1495 HG22 THR A 100 34.048 7.071 20.801 1.00 0.00 H ATOM 1496 H THR A 100 29.423 8.162 19.735 1.00 0.00 H ATOM 1497 N GLN A 101 30.861 9.602 23.099 1.00 16.36 N ATOM 1498 CA GLN A 101 30.916 10.934 23.728 1.00 16.36 C ATOM 1499 C GLN A 101 32.354 11.296 23.977 1.00 16.88 C ATOM 1500 O GLN A 101 33.161 10.391 24.422 1.00 17.36 O ATOM 1501 CB GLN A 101 29.924 10.899 24.880 1.00 17.20 C ATOM 1502 CG GLN A 101 29.688 12.193 25.647 1.00 18.43 C ATOM 1503 CD GLN A 101 29.582 13.525 24.923 1.00 18.29 C ATOM 1504 OE1 GLN A 101 28.637 13.675 24.092 1.00 19.24 O ATOM 1505 NE2 GLN A 101 30.489 14.484 25.203 1.00 17.40 N ATOM 1506 HA GLN A 101 30.589 11.776 23.118 1.00 0.00 H ATOM 1507 HB2 GLN A 101 28.964 10.580 24.474 1.00 0.00 H ATOM 1508 HB3 GLN A 101 30.280 10.156 25.594 1.00 0.00 H ATOM 1509 HG2 GLN A 101 28.755 12.063 26.195 1.00 0.00 H ATOM 1510 HG3 GLN A 101 30.512 12.289 26.354 1.00 0.00 H ATOM 1511 HE22 GLN A 101 31.243 14.301 25.896 1.00 0.00 H ATOM 1512 HE21 GLN A 101 30.434 15.407 24.726 1.00 0.00 H ATOM 1513 H GLN A 101 30.893 8.789 23.746 1.00 0.00 H ATOM 1514 N ALA A 102 32.821 12.490 23.585 1.00 15.80 N ATOM 1515 CA ALA A 102 34.207 12.916 23.850 1.00 16.00 C ATOM 1516 C ALA A 102 34.293 14.448 23.901 1.00 16.57 C ATOM 1517 O ALA A 102 33.319 15.166 23.644 1.00 15.97 O ATOM 1518 CB ALA A 102 35.277 12.428 22.905 1.00 15.51 C ATOM 1519 HA ALA A 102 34.424 12.439 24.806 1.00 0.00 H ATOM 1520 HB1 ALA A 102 35.302 11.338 22.918 1.00 0.00 H ATOM 1521 HB2 ALA A 102 35.055 12.776 21.896 1.00 0.00 H ATOM 1522 HB3 ALA A 102 36.244 12.818 23.221 1.00 0.00 H ATOM 1523 H ALA A 102 32.184 13.137 23.077 1.00 0.00 H ATOM 1524 N ASN A 103 35.420 14.966 24.274 1.00 17.47 N ATOM 1525 CA ASN A 103 35.899 16.328 24.416 1.00 18.34 C ATOM 1526 C ASN A 103 37.169 16.397 23.555 1.00 17.43 C ATOM 1527 O ASN A 103 38.168 15.817 24.039 1.00 18.34 O ATOM 1528 CB ASN A 103 36.199 16.815 25.837 1.00 19.29 C ATOM 1529 CG ASN A 103 34.917 17.085 26.576 1.00 21.34 C ATOM 1530 OD1 ASN A 103 34.201 16.152 26.929 1.00 22.52 O ATOM 1531 ND2 ASN A 103 34.571 18.365 26.834 1.00 23.02 N ATOM 1532 HA ASN A 103 35.096 16.996 24.104 1.00 0.00 H ATOM 1533 HB2 ASN A 103 36.766 16.050 26.368 1.00 0.00 H ATOM 1534 HB3 ASN A 103 36.786 17.732 25.787 1.00 0.00 H ATOM 1535 HD22 ASN A 103 35.190 19.143 26.528 1.00 0.00 H ATOM 1536 HD21 ASN A 103 33.686 18.573 27.339 1.00 0.00 H ATOM 1537 H ASN A 103 36.134 14.253 24.525 1.00 0.00 H ATOM 1538 N LYS A 104 37.147 17.080 22.464 1.00 16.16 N ATOM 1539 CA LYS A 104 38.214 17.145 21.511 1.00 15.14 C ATOM 1540 C LYS A 104 38.096 18.459 20.781 1.00 12.78 C ATOM 1541 O LYS A 104 37.012 19.054 20.808 1.00 11.67 O ATOM 1542 CB LYS A 104 37.950 16.136 20.388 1.00 16.77 C ATOM 1543 CG LYS A 104 37.714 14.682 20.750 1.00 18.68 C ATOM 1544 CD LYS A 104 38.993 13.894 20.687 1.00 20.86 C ATOM 1545 CE LYS A 104 38.911 12.678 19.720 1.00 23.01 C ATOM 1546 NZ LYS A 104 40.019 11.657 19.973 1.00 24.49 N ATOM 1547 HA LYS A 104 39.157 16.986 22.033 1.00 0.00 H ATOM 1548 HB2 LYS A 104 37.066 16.480 19.850 1.00 0.00 H ATOM 1549 HB3 LYS A 104 38.813 16.164 19.723 1.00 0.00 H ATOM 1550 HG2 LYS A 104 37.311 14.627 21.761 1.00 0.00 H ATOM 1551 HG3 LYS A 104 36.996 14.253 20.051 1.00 0.00 H ATOM 1552 HD2 LYS A 104 39.792 14.554 20.349 1.00 0.00 H ATOM 1553 HD3 LYS A 104 39.225 13.528 21.687 1.00 0.00 H ATOM 1554 HE2 LYS A 104 38.995 13.039 18.695 1.00 0.00 H ATOM 1555 HE3 LYS A 104 37.946 12.188 19.854 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 40.945 12.112 19.840 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 39.944 11.299 20.947 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 39.920 10.867 19.304 1.00 0.00 H ATOM 1559 H LYS A 104 36.287 17.627 22.259 1.00 0.00 H ATOM 1560 N HIS A 105 39.199 18.754 20.181 1.00 11.58 N ATOM 1561 CA HIS A 105 39.205 19.983 19.391 1.00 11.71 C ATOM 1562 C HIS A 105 38.527 19.637 18.107 1.00 10.12 C ATOM 1563 O HIS A 105 38.639 18.518 17.727 1.00 11.00 O ATOM 1564 CB HIS A 105 40.589 20.398 19.033 1.00 12.08 C ATOM 1565 CG HIS A 105 41.473 20.609 20.237 1.00 13.58 C ATOM 1566 ND1 HIS A 105 41.814 21.841 20.661 1.00 15.06 N ATOM 1567 CD2 HIS A 105 42.154 19.723 21.033 1.00 14.58 C ATOM 1568 CE1 HIS A 105 42.668 21.709 21.656 1.00 15.08 C ATOM 1569 NE2 HIS A 105 42.907 20.443 21.911 1.00 15.45 N ATOM 1570 HA HIS A 105 38.729 20.784 19.956 1.00 0.00 H ATOM 1571 HB2 HIS A 105 41.033 19.624 18.408 1.00 0.00 H ATOM 1572 HB3 HIS A 105 40.538 21.331 18.472 1.00 0.00 H ATOM 1573 HD2 HIS A 105 42.102 18.636 20.974 1.00 0.00 H ATOM 1574 HE1 HIS A 105 43.117 22.542 22.197 1.00 0.00 H ATOM 1575 H HIS A 105 40.041 18.148 20.256 1.00 0.00 H ATOM 1576 N ILE A 106 37.860 20.586 17.498 1.00 9.39 N ATOM 1577 CA ILE A 106 37.185 20.268 16.218 1.00 7.65 C ATOM 1578 C ILE A 106 37.878 21.091 15.128 1.00 7.25 C ATOM 1579 O ILE A 106 38.480 22.159 15.287 1.00 6.96 O ATOM 1580 CB ILE A 106 35.681 20.540 16.166 1.00 6.20 C ATOM 1581 CG1 ILE A 106 35.364 22.010 16.288 1.00 6.32 C ATOM 1582 CG2 ILE A 106 34.893 19.770 17.164 1.00 5.58 C ATOM 1583 CD1 ILE A 106 33.923 22.441 15.952 1.00 7.24 C ATOM 1584 HA ILE A 106 37.272 19.190 16.081 1.00 0.00 H ATOM 1585 HB ILE A 106 35.376 20.191 15.180 1.00 0.00 H ATOM 1586 HG12 ILE A 106 35.566 22.307 17.317 1.00 0.00 H ATOM 1587 HG13 ILE A 106 36.034 22.549 15.618 1.00 0.00 H ATOM 1588 HD11 ILE A 106 33.697 22.175 14.919 1.00 0.00 H ATOM 1589 HD12 ILE A 106 33.228 21.933 16.620 1.00 0.00 H ATOM 1590 HD13 ILE A 106 33.829 23.519 16.080 1.00 0.00 H ATOM 1591 HG21 ILE A 106 35.034 18.703 16.991 1.00 0.00 H ATOM 1592 HG22 ILE A 106 35.232 20.025 18.168 1.00 0.00 H ATOM 1593 HG23 ILE A 106 33.837 20.019 17.062 1.00 0.00 H ATOM 1594 H ILE A 106 37.806 21.542 17.904 1.00 0.00 H ATOM 1595 N ILE A 107 37.760 20.573 13.939 1.00 7.46 N ATOM 1596 CA ILE A 107 38.218 21.130 12.634 1.00 8.01 C ATOM 1597 C ILE A 107 37.034 21.094 11.667 1.00 7.91 C ATOM 1598 O ILE A 107 36.365 20.162 11.190 1.00 7.17 O ATOM 1599 CB ILE A 107 39.425 20.444 12.085 1.00 7.35 C ATOM 1600 CG1 ILE A 107 40.453 20.238 13.153 1.00 7.55 C ATOM 1601 CG2 ILE A 107 40.171 20.998 10.860 1.00 8.04 C ATOM 1602 CD1 ILE A 107 41.762 19.614 12.668 1.00 7.26 C ATOM 1603 HA ILE A 107 38.546 22.159 12.784 1.00 0.00 H ATOM 1604 HB ILE A 107 38.944 19.541 11.708 1.00 0.00 H ATOM 1605 HG12 ILE A 107 40.682 21.207 13.596 1.00 0.00 H ATOM 1606 HG13 ILE A 107 40.026 19.584 13.914 1.00 0.00 H ATOM 1607 HD11 ILE A 107 41.558 18.635 12.234 1.00 0.00 H ATOM 1608 HD12 ILE A 107 42.214 20.260 11.915 1.00 0.00 H ATOM 1609 HD13 ILE A 107 42.444 19.503 13.511 1.00 0.00 H ATOM 1610 HG21 ILE A 107 39.492 21.032 10.008 1.00 0.00 H ATOM 1611 HG22 ILE A 107 40.532 22.003 11.080 1.00 0.00 H ATOM 1612 HG23 ILE A 107 41.016 20.350 10.627 1.00 0.00 H ATOM 1613 H ILE A 107 37.284 19.650 13.894 1.00 0.00 H ATOM 1614 N VAL A 108 36.680 22.334 11.230 1.00 9.92 N ATOM 1615 CA VAL A 108 35.615 22.763 10.305 1.00 9.30 C ATOM 1616 C VAL A 108 36.228 23.609 9.190 1.00 10.41 C ATOM 1617 O VAL A 108 37.296 24.215 9.284 1.00 11.98 O ATOM 1618 CB VAL A 108 34.501 23.473 11.045 1.00 8.72 C ATOM 1619 CG1 VAL A 108 33.855 22.671 12.193 1.00 8.10 C ATOM 1620 CG2 VAL A 108 35.089 24.781 11.684 1.00 9.06 C ATOM 1621 HA VAL A 108 35.152 21.890 9.844 1.00 0.00 H ATOM 1622 HB VAL A 108 33.724 23.648 10.301 1.00 0.00 H ATOM 1623 HG11 VAL A 108 33.426 21.751 11.795 1.00 0.00 H ATOM 1624 HG12 VAL A 108 34.614 22.427 12.936 1.00 0.00 H ATOM 1625 HG13 VAL A 108 33.070 23.269 12.656 1.00 0.00 H ATOM 1626 HG21 VAL A 108 35.889 24.518 12.375 1.00 0.00 H ATOM 1627 HG22 VAL A 108 35.484 25.423 10.896 1.00 0.00 H ATOM 1628 HG23 VAL A 108 34.301 25.307 12.222 1.00 0.00 H ATOM 1629 H VAL A 108 37.258 23.109 11.613 1.00 0.00 H ATOM 1630 N ALA A 109 35.543 23.608 8.065 1.00 11.45 N ATOM 1631 CA ALA A 109 35.811 24.360 6.811 1.00 11.70 C ATOM 1632 C ALA A 109 34.764 25.490 6.819 1.00 12.10 C ATOM 1633 O ALA A 109 33.556 25.357 7.094 1.00 12.42 O ATOM 1634 CB ALA A 109 35.777 23.538 5.504 1.00 11.28 C ATOM 1635 HA ALA A 109 36.841 24.716 6.808 1.00 0.00 H ATOM 1636 HB1 ALA A 109 36.530 22.752 5.551 1.00 0.00 H ATOM 1637 HB2 ALA A 109 34.790 23.091 5.383 1.00 0.00 H ATOM 1638 HB3 ALA A 109 35.987 24.193 4.659 1.00 0.00 H ATOM 1639 H ALA A 109 34.700 22.998 8.052 1.00 0.00 H ATOM 1640 N CYS A 110 35.256 26.687 6.551 1.00 13.61 N ATOM 1641 CA CYS A 110 34.402 27.912 6.535 1.00 14.44 C ATOM 1642 C CYS A 110 34.394 28.541 5.140 1.00 15.15 C ATOM 1643 O CYS A 110 35.367 28.349 4.370 1.00 14.96 O ATOM 1644 CB CYS A 110 34.947 28.932 7.539 1.00 13.94 C ATOM 1645 SG CYS A 110 35.330 28.223 9.170 1.00 13.69 S ATOM 1646 HA CYS A 110 33.385 27.629 6.806 1.00 0.00 H ATOM 1647 HB2 CYS A 110 34.202 29.717 7.671 1.00 0.00 H ATOM 1648 HB3 CYS A 110 35.860 29.365 7.129 1.00 0.00 H ATOM 1649 H CYS A 110 36.271 26.779 6.344 1.00 0.00 H ATOM 1650 N GLU A 111 33.302 29.242 5.017 1.00 16.17 N ATOM 1651 CA GLU A 111 33.028 29.957 3.771 1.00 18.21 C ATOM 1652 C GLU A 111 31.887 30.970 3.903 1.00 18.99 C ATOM 1653 O GLU A 111 31.054 30.715 4.746 1.00 18.08 O ATOM 1654 CB GLU A 111 32.481 29.049 2.700 1.00 18.77 C ATOM 1655 CG GLU A 111 33.496 28.127 2.054 1.00 19.96 C ATOM 1656 CD GLU A 111 32.726 27.230 1.094 1.00 21.36 C ATOM 1657 OE1 GLU A 111 33.221 26.152 0.727 1.00 22.54 O ATOM 1658 OE2 GLU A 111 31.612 27.739 0.890 1.00 21.69 O ATOM 1659 HA GLU A 111 33.992 30.407 3.533 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.701 28.432 3.147 1.00 0.00 H ATOM 1661 HB3 GLU A 111 32.046 29.673 1.919 1.00 0.00 H ATOM 1662 HG2 GLU A 111 34.240 28.709 1.510 1.00 0.00 H ATOM 1663 HG3 GLU A 111 33.993 27.524 2.814 1.00 0.00 H ATOM 1664 H GLU A 111 32.625 29.293 5.805 1.00 0.00 H ATOM 1665 N GLY A 112 31.959 31.951 2.961 1.00 20.41 N ATOM 1666 CA GLY A 112 30.890 32.950 2.803 1.00 20.66 C ATOM 1667 C GLY A 112 31.099 34.270 3.517 1.00 20.75 C ATOM 1668 O GLY A 112 32.205 34.478 3.962 1.00 18.94 O ATOM 1669 HA3 GLY A 112 29.966 32.511 3.178 1.00 0.00 H ATOM 1670 HA2 GLY A 112 30.785 33.160 1.739 1.00 0.00 H ATOM 1671 H GLY A 112 32.790 31.995 2.338 1.00 0.00 H ATOM 1672 N ASN A 113 30.045 35.065 3.483 1.00 22.38 N ATOM 1673 CA ASN A 113 30.046 36.388 4.195 1.00 24.14 C ATOM 1674 C ASN A 113 28.683 36.502 4.913 1.00 23.43 C ATOM 1675 O ASN A 113 27.631 36.644 4.232 1.00 23.25 O ATOM 1676 CB ASN A 113 30.472 37.508 3.247 1.00 26.61 C ATOM 1677 CG ASN A 113 30.488 38.843 4.009 1.00 29.01 C ATOM 1678 OD1 ASN A 113 29.541 39.626 3.772 1.00 30.27 O ATOM 1679 ND2 ASN A 113 31.521 39.023 4.890 1.00 30.20 N ATOM 1680 HA ASN A 113 30.798 36.480 4.979 1.00 0.00 H ATOM 1681 HB2 ASN A 113 31.469 37.298 2.860 1.00 0.00 H ATOM 1682 HB3 ASN A 113 29.767 37.571 2.418 1.00 0.00 H ATOM 1683 HD22 ASN A 113 32.250 38.289 4.993 1.00 0.00 H ATOM 1684 HD21 ASN A 113 31.576 39.894 5.456 1.00 0.00 H ATOM 1685 H ASN A 113 29.199 34.770 2.954 1.00 0.00 H ATOM 1686 N PRO A 114 28.537 36.368 6.257 1.00 21.15 N ATOM 1687 CA PRO A 114 29.596 36.144 7.229 1.00 20.30 C ATOM 1688 C PRO A 114 30.291 34.800 7.002 1.00 19.25 C ATOM 1689 O PRO A 114 29.530 33.901 6.484 1.00 20.18 O ATOM 1690 CB PRO A 114 28.832 36.243 8.550 1.00 20.72 C ATOM 1691 CG PRO A 114 27.383 35.904 8.259 1.00 20.74 C ATOM 1692 CD PRO A 114 27.172 36.432 6.839 1.00 20.67 C ATOM 1693 HA PRO A 114 30.424 36.851 7.178 1.00 0.00 H ATOM 1694 HD3 PRO A 114 26.478 35.800 6.284 1.00 0.00 H ATOM 1695 HD2 PRO A 114 26.798 37.456 6.852 1.00 0.00 H ATOM 1696 HG3 PRO A 114 26.717 36.402 8.963 1.00 0.00 H ATOM 1697 HG2 PRO A 114 27.218 34.828 8.304 1.00 0.00 H ATOM 1698 HB2 PRO A 114 29.243 35.538 9.273 1.00 0.00 H ATOM 1699 HB3 PRO A 114 28.906 37.255 8.949 1.00 0.00 H ATOM 1700 N TYR A 115 31.558 34.630 7.305 1.00 17.14 N ATOM 1701 CA TYR A 115 32.372 33.422 7.120 1.00 15.67 C ATOM 1702 C TYR A 115 32.021 32.454 8.225 1.00 14.42 C ATOM 1703 O TYR A 115 32.424 32.777 9.352 1.00 13.13 O ATOM 1704 CB TYR A 115 33.807 33.939 7.197 1.00 16.16 C ATOM 1705 CG TYR A 115 34.942 33.069 6.697 1.00 16.01 C ATOM 1706 CD1 TYR A 115 35.019 32.591 5.390 1.00 15.57 C ATOM 1707 CD2 TYR A 115 36.026 32.818 7.570 1.00 16.82 C ATOM 1708 CE1 TYR A 115 36.048 31.771 4.952 1.00 15.63 C ATOM 1709 CE2 TYR A 115 37.095 32.006 7.141 1.00 16.53 C ATOM 1710 CZ TYR A 115 37.083 31.495 5.847 1.00 16.21 C ATOM 1711 OH TYR A 115 38.158 30.722 5.533 1.00 16.54 O ATOM 1712 HA TYR A 115 32.214 32.886 6.184 1.00 0.00 H ATOM 1713 HB3 TYR A 115 34.011 34.154 8.246 1.00 0.00 H ATOM 1714 HB2 TYR A 115 33.841 34.866 6.624 1.00 0.00 H ATOM 1715 HD2 TYR A 115 36.035 33.251 8.570 1.00 0.00 H ATOM 1716 HE2 TYR A 115 37.921 31.781 7.815 1.00 0.00 H ATOM 1717 HE1 TYR A 115 36.049 31.356 3.944 1.00 0.00 H ATOM 1718 HD1 TYR A 115 34.239 32.873 4.683 1.00 0.00 H ATOM 1719 HH TYR A 115 38.986 31.258 5.623 1.00 0.00 H ATOM 1720 H TYR A 115 32.042 35.449 7.726 1.00 0.00 H ATOM 1721 N VAL A 116 31.237 31.419 7.980 1.00 12.24 N ATOM 1722 CA VAL A 116 30.787 30.442 8.978 1.00 10.13 C ATOM 1723 C VAL A 116 31.138 29.041 8.511 1.00 10.10 C ATOM 1724 O VAL A 116 31.626 28.705 7.422 1.00 10.86 O ATOM 1725 CB VAL A 116 29.305 30.697 9.081 1.00 9.64 C ATOM 1726 CG1 VAL A 116 29.011 32.101 9.527 1.00 9.13 C ATOM 1727 CG2 VAL A 116 28.523 30.551 7.725 1.00 9.74 C ATOM 1728 HA VAL A 116 31.260 30.535 9.955 1.00 0.00 H ATOM 1729 HB VAL A 116 28.979 29.940 9.794 1.00 0.00 H ATOM 1730 HG11 VAL A 116 29.457 32.271 10.507 1.00 0.00 H ATOM 1731 HG12 VAL A 116 29.431 32.805 8.808 1.00 0.00 H ATOM 1732 HG13 VAL A 116 27.932 32.243 9.588 1.00 0.00 H ATOM 1733 HG21 VAL A 116 28.918 31.263 7.001 1.00 0.00 H ATOM 1734 HG22 VAL A 116 28.645 29.537 7.344 1.00 0.00 H ATOM 1735 HG23 VAL A 116 27.465 30.752 7.894 1.00 0.00 H ATOM 1736 H VAL A 116 30.913 31.286 7.001 1.00 0.00 H ATOM 1737 N PRO A 117 31.009 28.088 9.438 1.00 9.60 N ATOM 1738 CA PRO A 117 31.314 26.680 9.103 1.00 9.03 C ATOM 1739 C PRO A 117 30.356 26.101 8.087 1.00 9.19 C ATOM 1740 O PRO A 117 29.117 26.221 8.131 1.00 9.21 O ATOM 1741 CB PRO A 117 31.164 26.039 10.487 1.00 8.49 C ATOM 1742 CG PRO A 117 31.342 27.133 11.530 1.00 8.25 C ATOM 1743 CD PRO A 117 30.542 28.238 10.856 1.00 8.44 C ATOM 1744 HA PRO A 117 32.284 26.524 8.630 1.00 0.00 H ATOM 1745 HD3 PRO A 117 29.469 28.071 10.946 1.00 0.00 H ATOM 1746 HD2 PRO A 117 30.791 29.219 11.260 1.00 0.00 H ATOM 1747 HG3 PRO A 117 32.389 27.407 11.660 1.00 0.00 H ATOM 1748 HG2 PRO A 117 30.919 26.852 12.494 1.00 0.00 H ATOM 1749 HB2 PRO A 117 30.174 25.592 10.583 1.00 0.00 H ATOM 1750 HB3 PRO A 117 31.924 25.269 10.624 1.00 0.00 H ATOM 1751 N VAL A 118 30.920 25.297 7.205 1.00 9.63 N ATOM 1752 CA VAL A 118 30.138 24.634 6.109 1.00 9.73 C ATOM 1753 C VAL A 118 30.342 23.155 6.027 1.00 10.08 C ATOM 1754 O VAL A 118 29.514 22.458 5.426 1.00 10.61 O ATOM 1755 CB VAL A 118 30.598 25.585 4.960 1.00 8.81 C ATOM 1756 CG1 VAL A 118 31.643 25.025 4.069 1.00 8.55 C ATOM 1757 CG2 VAL A 118 29.471 26.474 4.577 1.00 8.56 C ATOM 1758 HA VAL A 118 29.052 24.563 6.178 1.00 0.00 H ATOM 1759 HB VAL A 118 31.307 26.375 5.209 1.00 0.00 H ATOM 1760 HG11 VAL A 118 32.531 24.789 4.656 1.00 0.00 H ATOM 1761 HG12 VAL A 118 31.267 24.118 3.595 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.897 25.758 3.303 1.00 0.00 H ATOM 1763 HG21 VAL A 118 28.632 25.868 4.236 1.00 0.00 H ATOM 1764 HG22 VAL A 118 29.167 27.065 5.441 1.00 0.00 H ATOM 1765 HG23 VAL A 118 29.791 27.139 3.775 1.00 0.00 H ATOM 1766 H VAL A 118 31.942 25.117 7.272 1.00 0.00 H ATOM 1767 N HIS A 119 31.386 22.642 6.638 1.00 9.84 N ATOM 1768 CA HIS A 119 31.777 21.232 6.738 1.00 9.15 C ATOM 1769 C HIS A 119 32.605 20.919 7.956 1.00 7.06 C ATOM 1770 O HIS A 119 33.516 21.642 8.286 1.00 6.70 O ATOM 1771 CB HIS A 119 32.580 20.937 5.493 1.00 9.38 C ATOM 1772 CG HIS A 119 33.492 19.800 5.447 1.00 10.42 C ATOM 1773 ND1 HIS A 119 33.097 18.503 5.093 1.00 11.58 N ATOM 1774 CD2 HIS A 119 34.843 19.790 5.639 1.00 10.64 C ATOM 1775 CE1 HIS A 119 34.172 17.786 5.092 1.00 10.68 C ATOM 1776 NE2 HIS A 119 35.264 18.513 5.367 1.00 11.56 N ATOM 1777 HA HIS A 119 30.881 20.618 6.830 1.00 0.00 H ATOM 1778 HB2 HIS A 119 31.862 20.793 4.686 1.00 0.00 H ATOM 1779 HB3 HIS A 119 33.179 21.825 5.291 1.00 0.00 H ATOM 1780 HD2 HIS A 119 35.465 20.630 5.947 1.00 0.00 H ATOM 1781 HE1 HIS A 119 34.189 16.715 4.891 1.00 0.00 H ATOM 1782 H HIS A 119 32.015 23.322 7.111 1.00 0.00 H ATOM 1783 N PHE A 120 32.281 19.796 8.555 1.00 5.68 N ATOM 1784 CA PHE A 120 32.966 19.210 9.695 1.00 5.01 C ATOM 1785 C PHE A 120 33.983 18.283 9.098 1.00 6.29 C ATOM 1786 O PHE A 120 33.568 17.329 8.400 1.00 7.99 O ATOM 1787 CB PHE A 120 31.911 18.516 10.569 1.00 4.64 C ATOM 1788 CG PHE A 120 32.476 18.197 11.898 1.00 4.60 C ATOM 1789 CD1 PHE A 120 33.470 17.220 12.017 1.00 4.69 C ATOM 1790 CD2 PHE A 120 32.060 18.914 12.981 1.00 4.93 C ATOM 1791 CE1 PHE A 120 34.097 16.961 13.198 1.00 4.51 C ATOM 1792 CE2 PHE A 120 32.690 18.604 14.231 1.00 5.00 C ATOM 1793 CZ PHE A 120 33.627 17.607 14.332 1.00 3.90 C ATOM 1794 HA PHE A 120 33.477 19.919 10.347 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.053 19.177 10.692 1.00 0.00 H ATOM 1796 HB3 PHE A 120 31.591 17.594 10.083 1.00 0.00 H ATOM 1797 HD2 PHE A 120 31.290 19.681 12.901 1.00 0.00 H ATOM 1798 HE2 PHE A 120 32.419 19.173 15.120 1.00 0.00 H ATOM 1799 HZ PHE A 120 34.006 17.320 15.313 1.00 0.00 H ATOM 1800 HE1 PHE A 120 34.939 16.270 13.250 1.00 0.00 H ATOM 1801 HD1 PHE A 120 33.752 16.646 11.134 1.00 0.00 H ATOM 1802 H PHE A 120 31.460 19.279 8.180 1.00 0.00 H ATOM 1803 N ASP A 121 35.216 18.550 9.386 1.00 6.41 N ATOM 1804 CA ASP A 121 36.333 17.778 8.817 1.00 7.66 C ATOM 1805 C ASP A 121 36.815 16.736 9.781 1.00 8.30 C ATOM 1806 O ASP A 121 36.949 15.597 9.341 1.00 9.53 O ATOM 1807 CB ASP A 121 37.388 18.767 8.416 1.00 8.12 C ATOM 1808 CG ASP A 121 38.314 18.344 7.352 1.00 10.11 C ATOM 1809 OD1 ASP A 121 37.947 17.980 6.242 1.00 10.97 O ATOM 1810 OD2 ASP A 121 39.532 18.352 7.621 1.00 10.75 O ATOM 1811 HA ASP A 121 36.026 17.214 7.936 1.00 0.00 H ATOM 1812 HB2 ASP A 121 36.883 19.671 8.076 1.00 0.00 H ATOM 1813 HB3 ASP A 121 37.982 18.995 9.301 1.00 0.00 H ATOM 1814 H ASP A 121 35.424 19.333 10.038 1.00 0.00 H ATOM 1815 N ALA A 122 37.057 17.002 11.007 1.00 8.47 N ATOM 1816 CA ALA A 122 37.635 16.136 12.003 1.00 8.93 C ATOM 1817 C ALA A 122 37.616 16.688 13.406 1.00 11.07 C ATOM 1818 O ALA A 122 37.277 17.839 13.624 1.00 11.53 O ATOM 1819 CB ALA A 122 39.109 15.949 11.664 1.00 8.47 C ATOM 1820 HA ALA A 122 37.038 15.224 11.985 1.00 0.00 H ATOM 1821 HB1 ALA A 122 39.199 15.500 10.675 1.00 0.00 H ATOM 1822 HB2 ALA A 122 39.608 16.918 11.671 1.00 0.00 H ATOM 1823 HB3 ALA A 122 39.571 15.296 12.404 1.00 0.00 H ATOM 1824 H ALA A 122 36.806 17.960 11.325 1.00 0.00 H ATOM 1825 N SER A 123 37.917 15.783 14.355 1.00 13.48 N ATOM 1826 CA SER A 123 37.978 16.087 15.784 1.00 14.48 C ATOM 1827 C SER A 123 39.387 15.635 16.149 1.00 15.58 C ATOM 1828 O SER A 123 39.823 14.692 15.492 1.00 16.31 O ATOM 1829 CB SER A 123 36.872 15.513 16.637 1.00 14.49 C ATOM 1830 OG SER A 123 36.799 14.146 16.400 1.00 15.61 O ATOM 1831 HA SER A 123 37.799 17.142 15.990 1.00 0.00 H ATOM 1832 HB2 SER A 123 35.924 15.983 16.376 1.00 0.00 H ATOM 1833 HB3 SER A 123 37.088 15.693 17.690 1.00 0.00 H ATOM 1834 HG SER A 123 36.077 13.754 16.953 1.00 0.00 H ATOM 1835 H SER A 123 38.118 14.808 14.054 1.00 0.00 H ATOM 1836 N VAL A 124 40.005 16.330 17.080 1.00 16.67 N ATOM 1837 CA VAL A 124 41.400 16.047 17.469 1.00 17.29 C ATOM 1838 C VAL A 124 41.540 16.264 18.967 1.00 17.94 C ATOM 1839 O VAL A 124 42.560 15.609 19.304 1.00 18.75 O ATOM 1840 CB VAL A 124 42.152 16.826 16.380 1.00 17.49 C ATOM 1841 CG1 VAL A 124 42.802 18.171 16.738 1.00 17.67 C ATOM 1842 CG2 VAL A 124 43.004 15.924 15.513 1.00 17.65 C ATOM 1843 HA VAL A 124 41.832 15.046 17.454 1.00 0.00 H ATOM 1844 OXT VAL A 124 40.739 16.870 19.730 1.00 18.13 O ATOM 1845 HB VAL A 124 41.331 17.202 15.769 1.00 0.00 H ATOM 1846 HG11 VAL A 124 42.035 18.862 17.088 1.00 0.00 H ATOM 1847 HG12 VAL A 124 43.541 18.018 17.524 1.00 0.00 H ATOM 1848 HG13 VAL A 124 43.289 18.584 15.855 1.00 0.00 H ATOM 1849 HG21 VAL A 124 43.741 15.415 16.134 1.00 0.00 H ATOM 1850 HG22 VAL A 124 42.368 15.187 15.023 1.00 0.00 H ATOM 1851 HG23 VAL A 124 43.515 16.523 14.759 1.00 0.00 H ATOM 1852 H VAL A 124 39.495 17.102 17.556 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 N1 UVC A 1 31.969 13.661 9.352 1.00 -0.66 N HETATM 1855 C2 UVC A 1 31.656 13.999 10.612 1.00 0.04 C HETATM 1856 N3 UVC A 1 32.670 13.732 11.468 1.00 -0.26 N HETATM 1857 C4 UVC A 1 33.945 13.283 11.176 1.00 -0.10 C HETATM 1858 C5 UVC A 1 34.175 13.003 9.795 1.00 -0.51 C HETATM 1859 C6 UVC A 1 33.174 13.182 8.937 1.00 -0.55 C HETATM 1860 O4 UVC A 1 34.772 13.201 12.075 1.00 -0.64 O HETATM 1861 O2 UVC A 1 30.578 14.391 10.997 1.00 -0.65 O HETATM 1862 C1 UVC A 1 30.899 13.890 8.308 1.00 -0.40 C HETATM 1863 C2 UVC A 1 31.041 15.368 7.854 1.00 -0.83 C HETATM 1864 O2 UVC A 1 29.722 15.834 7.639 1.00 -1.07 O HETATM 1865 O3 UVC A 1 31.488 16.498 5.719 1.00 -1.08 O HETATM 1866 C3 UVC A 1 31.862 15.373 6.590 1.00 -0.89 C HETATM 1867 C4 UVC A 1 31.472 13.945 6.112 1.00 -0.79 C HETATM 1868 O4 UVC A 1 31.432 13.033 7.258 1.00 -0.80 O HETATM 1869 C5 UVC A 1 32.332 13.231 5.108 1.00 -1.57 C HETATM 1870 O5 UVC A 1 33.514 12.846 5.813 1.00 -1.22 O HETATM 1871 O1V UVC A 1 28.228 17.098 5.741 1.00 -1.00 O HETATM 1872 O2V UVC A 1 30.159 18.258 4.797 1.00 -1.00 O HETATM 1873 O3V UVC A 1 29.927 18.625 7.388 1.00 -1.00 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 1854 1855 1859 1862 CONECT 1855 1854 1856 1861 CONECT 1856 1855 1857 CONECT 1857 1856 1858 1860 CONECT 1858 1857 1859 CONECT 1859 1854 1858 CONECT 1860 1857 CONECT 1861 1855 CONECT 1862 1854 1863 1868 CONECT 1863 1862 1864 1866 CONECT 1864 0 1863 CONECT 1865 0 1866 CONECT 1866 1863 1865 1867 CONECT 1867 1866 1868 1869 CONECT 1868 1862 1867 CONECT 1869 1867 1870 CONECT 1870 1869 MASTER 0 0 0 0 0 0 0 0 1872 1 29 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6rsa
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1afk
RCSB PDB
PDBbind
124aa, >1AFK_1|Chains... at 99%
1afl
RCSB PDB
PDBbind
124aa, >1AFL_1|Chains... at 99%
1dfj
RCSB PDB
PDBbind
124aa, >1DFJ_1|Chain... at 99%
1j7z
RCSB PDB
PDBbind
104aa, >1J7Z_2|Chain... at 99%
1j80
RCSB PDB
PDBbind
104aa, >1J80_2|Chain... at 99%
1j81
RCSB PDB
PDBbind
104aa, >1J81_2|Chain... at 99%
1jn4
RCSB PDB
PDBbind
124aa, >1JN4_1|Chains... at 99%
1jvu
RCSB PDB
PDBbind
124aa, >1JVU_1|Chains... at 99%
1o0f
RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0h
RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
1w4o
RCSB PDB
PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2w5i
RCSB PDB
PDBbind
124aa, >2W5I_1|Chains... at 99%
2xog
RCSB PDB
PDBbind
124aa, >2XOG_1|Chains... at 99%
2xoi
RCSB PDB
PDBbind
124aa, >2XOI_1|Chains... at 99%
3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
RCSB PDB
PDBbind
124aa, >3D6Q_1|Chains... at 99%
3d7b
RCSB PDB
PDBbind
124aa, >3D7B_1|Chains... at 99%
3d8y
RCSB PDB
PDBbind
124aa, >3D8Y_1|Chains... at 99%
3d8z
RCSB PDB
PDBbind
124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
PDBbind
124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
PDBbind
124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
PDBbind
124aa, >3LXO_1|Chain... at 99%
4g8v
RCSB PDB
PDBbind
124aa, >4G8V_1|Chains... at 99%
4g8y
RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
4g90
RCSB PDB
PDBbind
124aa, >4G90_1|Chains... at 99%
4peq
RCSB PDB
PDBbind
124aa, >4PEQ_1|Chains... at 99%
4rsk
RCSB PDB
PDBbind
124aa, >4RSK_1|Chain... at 96%
4wyp
RCSB PDB
PDBbind
125aa, >4WYP_1|Chains... *
4wyz
RCSB PDB
PDBbind
125aa, >4WYZ_1|Chains... at 100%
6pvx
RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
6pvw
RCSB PDB
PDBbind
124aa, >6PVW_1|Chains... at 99%
6pvv
RCSB PDB
PDBbind
124aa, >6PVV_1|Chains... at 99%
6pvu
RCSB PDB
PDBbind
124aa, >6PVU_1|Chains... at 99%
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
6rsa
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ribonuclease a
Ligand Name
UVC
EC.Number
E.C.3.1.27.5
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=40uM
Release Year
1986
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v24 pp. 2058-67, 1985
Ligand Properties
Formula
C
9
H
1
0
N
2
O
9
V
Molecular Weight
341.125
Exact Mass
340.983
No. of atoms
31
No. of bonds
33
Polar Surface Area
153.99
LOGP Value
-3.48 (
Computed with XLOGP3
)
-2.23 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@H]([C@H]2[C@@H]1O[V](=O)(=O)(=O)O2)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C9H10N2O6.3O.V/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;;;;/h1-2,4,6-8,12H,3H2,(H,10,13,16);;;;/q-2;;;;+2/t4-,6-,7-,8-;;;;/m1..../s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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