Browse entries in the PDBbind-CN Database
HEADER 6PVV_COMPLEX COMPND 6PVV_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 MOL A 225 51 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 13.758 -20.087 9.471 1.00 46.11 N ATOM 2 CA LYS A 1 13.811 -19.301 10.697 1.00 38.50 C ATOM 3 C LYS A 1 14.957 -18.293 10.660 1.00 37.82 C ATOM 4 O LYS A 1 16.112 -18.629 10.940 1.00 40.42 O ATOM 5 CB LYS A 1 13.950 -20.215 11.912 1.00 44.03 C ATOM 6 CG LYS A 1 12.652 -20.896 12.316 1.00 47.21 C ATOM 7 CD LYS A 1 12.898 -22.098 13.211 1.00 45.39 C ATOM 8 CE LYS A 1 11.624 -22.492 13.936 1.00 47.87 C ATOM 9 NZ LYS A 1 10.531 -22.931 13.003 1.00 49.45 N ATOM 10 HZ1 LYS A 1 10.298 -22.153 12.353 1.00 0.00 H ATOM 11 HZ2 LYS A 1 10.853 -23.756 12.457 1.00 0.00 H ATOM 12 HZ3 LYS A 1 9.688 -23.187 13.555 1.00 0.00 H ATOM 13 HN3 LYS A 1 14.652 -20.605 9.354 1.00 0.00 H ATOM 14 HN2 LYS A 1 13.615 -19.452 8.660 1.00 0.00 H ATOM 15 HN1 LYS A 1 12.969 -20.762 9.527 1.00 0.00 H ATOM 16 N GLU A 2 14.622 -17.060 10.280 1.00 38.51 N ATOM 17 CA GLU A 2 15.567 -15.948 10.313 1.00 38.06 C ATOM 18 C GLU A 2 15.716 -15.461 11.754 1.00 28.50 C ATOM 19 O GLU A 2 14.721 -15.109 12.403 1.00 33.89 O ATOM 20 CB GLU A 2 15.077 -14.824 9.400 1.00 35.54 C ATOM 21 CG GLU A 2 15.993 -13.604 9.320 1.00 28.92 C ATOM 22 CD GLU A 2 15.472 -12.547 8.348 1.00 25.12 C ATOM 23 OE1 GLU A 2 14.297 -12.155 8.480 1.00 27.30 O ATOM 24 OE2 GLU A 2 16.247 -12.116 7.465 1.00 31.82 O ATOM 25 H GLU A 2 13.652 -16.884 9.948 1.00 0.00 H ATOM 26 N THR A 3 16.948 -15.462 12.263 1.00 32.28 N ATOM 27 CA THR A 3 17.191 -14.927 13.597 1.00 30.21 C ATOM 28 C THR A 3 16.965 -13.419 13.597 1.00 31.36 C ATOM 29 O THR A 3 17.004 -12.759 12.551 1.00 28.42 O ATOM 30 CB THR A 3 18.615 -15.237 14.079 1.00 30.81 C ATOM 31 OG1 THR A 3 19.574 -14.544 13.267 1.00 29.07 O ATOM 32 CG2 THR A 3 18.914 -16.742 14.050 1.00 28.54 C ATOM 33 HG1 THR A 3 20.487 -14.752 13.587 1.00 0.00 H ATOM 34 H THR A 3 17.738 -15.846 11.707 1.00 0.00 H ATOM 35 N ALA A 4 16.700 -12.881 14.793 1.00 29.46 N ATOM 36 CA ALA A 4 16.510 -11.441 14.924 1.00 27.68 C ATOM 37 C ALA A 4 17.767 -10.698 14.504 1.00 22.35 C ATOM 38 O ALA A 4 17.696 -9.630 13.878 1.00 25.46 O ATOM 39 CB ALA A 4 16.119 -11.089 16.361 1.00 21.95 C ATOM 40 H ALA A 4 16.629 -13.492 15.632 1.00 0.00 H ATOM 41 N ALA A 5 18.932 -11.257 14.818 1.00 23.90 N ATOM 42 CA ALA A 5 20.173 -10.628 14.386 1.00 21.15 C ATOM 43 C ALA A 5 20.287 -10.645 12.867 1.00 24.23 C ATOM 44 O ALA A 5 20.649 -9.637 12.259 1.00 19.63 O ATOM 45 CB ALA A 5 21.368 -11.327 15.041 1.00 21.64 C ATOM 46 H ALA A 5 18.957 -12.139 15.369 1.00 0.00 H ATOM 47 N ALA A 6 19.950 -11.774 12.235 1.00 23.19 N ATOM 48 CA ALA A 6 20.015 -11.851 10.777 1.00 26.86 C ATOM 49 C ALA A 6 19.053 -10.855 10.134 1.00 20.12 C ATOM 50 O ALA A 6 19.395 -10.189 9.145 1.00 21.03 O ATOM 51 CB ALA A 6 19.704 -13.279 10.316 1.00 27.41 C ATOM 52 H ALA A 6 19.640 -12.601 12.784 1.00 0.00 H ATOM 53 N LYS A 7 17.867 -10.723 10.729 1.00 23.55 N ATOM 54 CA LYS A 7 16.855 -9.764 10.221 1.00 22.35 C ATOM 55 C LYS A 7 17.431 -8.349 10.333 1.00 21.00 C ATOM 56 O LYS A 7 17.248 -7.566 9.396 1.00 21.53 O ATOM 57 CB LYS A 7 15.539 -9.916 10.987 1.00 24.39 C ATOM 58 CG LYS A 7 14.423 -8.977 10.555 1.00 31.46 C ATOM 59 CD LYS A 7 13.123 -9.261 11.265 1.00 32.15 C ATOM 60 CE LYS A 7 12.108 -8.149 11.119 1.00 41.46 C ATOM 61 NZ LYS A 7 10.761 -8.597 11.545 1.00 49.40 N ATOM 62 HZ1 LYS A 7 10.462 -9.401 10.956 1.00 0.00 H ATOM 63 HZ2 LYS A 7 10.794 -8.890 12.542 1.00 0.00 H ATOM 64 HZ3 LYS A 7 10.085 -7.814 11.434 1.00 0.00 H ATOM 65 H LYS A 7 17.647 -11.303 11.564 1.00 0.00 H ATOM 66 N PHE A 8 18.107 -8.042 11.444 1.00 20.77 N ATOM 67 CA PHE A 8 18.709 -6.717 11.574 1.00 19.22 C ATOM 68 C PHE A 8 19.700 -6.461 10.448 1.00 15.36 C ATOM 69 O PHE A 8 19.755 -5.358 9.889 1.00 14.71 O ATOM 70 CB PHE A 8 19.400 -6.561 12.949 1.00 17.17 C ATOM 71 CG PHE A 8 20.122 -5.248 13.099 1.00 14.77 C ATOM 72 CD1 PHE A 8 21.443 -5.087 12.666 1.00 13.95 C ATOM 73 CD2 PHE A 8 19.452 -4.151 13.634 1.00 16.61 C ATOM 74 CE1 PHE A 8 22.084 -3.843 12.772 1.00 14.92 C ATOM 75 CE2 PHE A 8 20.092 -2.927 13.761 1.00 14.08 C ATOM 76 CZ PHE A 8 21.389 -2.759 13.338 1.00 14.71 C ATOM 77 H PHE A 8 18.204 -8.740 12.209 1.00 0.00 H ATOM 78 N GLU A 9 20.520 -7.468 10.119 1.00 20.45 N ATOM 79 CA GLU A 9 21.482 -7.319 9.031 1.00 20.26 C ATOM 80 C GLU A 9 20.777 -7.121 7.693 1.00 15.31 C ATOM 81 O GLU A 9 21.170 -6.257 6.899 1.00 19.50 O ATOM 82 CB GLU A 9 22.401 -8.544 8.989 1.00 21.96 C ATOM 83 CG GLU A 9 23.183 -8.760 10.291 1.00 20.31 C ATOM 84 CD GLU A 9 24.311 -9.760 10.113 1.00 33.26 C ATOM 85 OE1 GLU A 9 24.611 -10.131 8.950 1.00 36.66 O ATOM 86 OE2 GLU A 9 24.909 -10.160 11.136 1.00 29.04 O ATOM 87 H GLU A 9 20.471 -8.365 10.644 1.00 0.00 H ATOM 88 N ARG A 10 19.722 -7.891 7.445 1.00 19.54 N ATOM 89 CA ARG A 10 18.973 -7.742 6.195 1.00 17.79 C ATOM 90 C ARG A 10 18.283 -6.386 6.126 1.00 20.04 C ATOM 91 O ARG A 10 18.234 -5.760 5.060 1.00 21.71 O ATOM 92 CB ARG A 10 17.947 -8.866 6.064 1.00 23.91 C ATOM 93 CG ARG A 10 16.963 -8.658 4.915 1.00 28.70 C ATOM 94 CD ARG A 10 16.053 -9.849 4.745 1.00 25.95 C ATOM 95 NE ARG A 10 15.212 -10.062 5.912 1.00 25.22 N ATOM 96 CZ ARG A 10 14.083 -9.406 6.163 1.00 25.87 C ATOM 97 NH1 ARG A 10 13.644 -8.475 5.327 1.00 31.25 N ATOM 98 NH2 ARG A 10 13.397 -9.680 7.262 1.00 29.49 N ATOM 99 HE ARG A 10 15.516 -10.780 6.601 1.00 0.00 H ATOM 100 HH12 ARG A 10 12.760 -7.967 5.532 1.00 0.00 H ATOM 101 HH11 ARG A 10 14.184 -8.253 4.466 1.00 0.00 H ATOM 102 HH22 ARG A 10 12.513 -9.170 7.464 1.00 0.00 H ATOM 103 HH21 ARG A 10 13.742 -10.405 7.923 1.00 0.00 H ATOM 104 H ARG A 10 19.427 -8.603 8.143 1.00 0.00 H ATOM 105 N GLN A 11 17.746 -5.914 7.248 1.00 20.64 N ATOM 106 CA GLN A 11 16.997 -4.662 7.226 1.00 19.09 C ATOM 107 C GLN A 11 17.902 -3.439 7.284 1.00 17.80 C ATOM 108 O GLN A 11 17.511 -2.368 6.824 1.00 19.59 O ATOM 109 CB GLN A 11 16.023 -4.636 8.400 1.00 20.26 C ATOM 110 CG GLN A 11 14.908 -5.616 8.264 1.00 23.15 C ATOM 111 CD GLN A 11 13.843 -5.326 9.279 1.00 32.36 C ATOM 112 OE1 GLN A 11 14.156 -4.958 10.400 1.00 30.67 O ATOM 113 NE2 GLN A 11 12.585 -5.476 8.896 1.00 40.13 N ATOM 114 HE22 GLN A 11 12.370 -5.792 7.929 1.00 0.00 H ATOM 115 HE21 GLN A 11 11.811 -5.278 9.562 1.00 0.00 H ATOM 116 H GLN A 11 17.860 -6.437 8.140 1.00 0.00 H ATOM 117 N HIS A 12 19.086 -3.554 7.873 1.00 15.68 N ATOM 118 CA HIS A 12 19.797 -2.331 8.231 1.00 16.77 C ATOM 119 C HIS A 12 21.271 -2.271 7.864 1.00 19.94 C ATOM 120 O HIS A 12 21.851 -1.201 8.018 1.00 21.21 O ATOM 121 CB HIS A 12 19.675 -2.076 9.744 1.00 16.53 C ATOM 122 CG HIS A 12 18.272 -1.860 10.194 1.00 14.54 C ATOM 123 ND1 HIS A 12 17.510 -0.803 9.749 1.00 13.82 N ATOM 124 CD2 HIS A 12 17.476 -2.575 11.027 1.00 17.69 C ATOM 125 CE1 HIS A 12 16.308 -0.869 10.295 1.00 19.86 C ATOM 126 NE2 HIS A 12 16.261 -1.938 11.070 1.00 15.03 N ATOM 127 H HIS A 12 19.495 -4.489 8.074 1.00 0.00 H ATOM 128 N MET A 13 21.909 -3.343 7.422 1.00 15.65 N ATOM 129 CA MET A 13 23.337 -3.304 7.151 1.00 19.36 C ATOM 130 C MET A 13 23.581 -3.145 5.656 1.00 21.28 C ATOM 131 O MET A 13 23.008 -3.880 4.848 1.00 24.23 O ATOM 132 CB MET A 13 24.038 -4.558 7.673 1.00 21.43 C ATOM 133 CG MET A 13 24.123 -4.604 9.208 1.00 18.50 C ATOM 134 SD MET A 13 25.073 -3.273 9.929 1.00 21.27 S ATOM 135 CE MET A 13 26.630 -3.476 9.066 1.00 21.71 C ATOM 136 H MET A 13 21.382 -4.226 7.266 1.00 0.00 H ATOM 137 N ASP A 14 24.425 -2.176 5.296 1.00 25.26 N ATOM 138 CA ASP A 14 24.893 -2.069 3.907 1.00 21.46 C ATOM 139 C ASP A 14 26.337 -1.559 3.921 1.00 17.78 C ATOM 140 O ASP A 14 26.632 -0.401 3.633 1.00 20.25 O ATOM 141 CB ASP A 14 24.015 -1.162 3.053 1.00 24.24 C ATOM 142 CG ASP A 14 24.467 -1.164 1.600 1.00 27.36 C ATOM 143 OD1 ASP A 14 25.094 -2.176 1.212 1.00 28.26 O ATOM 144 OD2 ASP A 14 24.235 -0.165 0.889 1.00 27.75 O ATOM 145 H ASP A 14 24.755 -1.490 6.005 1.00 0.00 H ATOM 146 N SER A 15 27.258 -2.462 4.236 1.00 20.68 N ATOM 147 CA SER A 15 28.674 -2.117 4.342 1.00 23.79 C ATOM 148 C SER A 15 29.346 -1.882 2.986 1.00 32.05 C ATOM 149 O SER A 15 30.479 -1.392 2.962 1.00 33.88 O ATOM 150 CB SER A 15 29.416 -3.243 5.069 1.00 25.81 C ATOM 151 OG SER A 15 28.757 -3.646 6.261 1.00 27.29 O ATOM 152 HG SER A 15 28.692 -2.874 6.878 1.00 0.00 H ATOM 153 H SER A 15 26.963 -3.444 4.412 1.00 0.00 H ATOM 154 N SER A 16 28.679 -2.208 1.871 1.00 30.19 N ATOM 155 CA SER A 16 29.332 -2.203 0.555 1.00 35.07 C ATOM 156 C SER A 16 29.646 -0.802 0.040 1.00 39.44 C ATOM 157 O SER A 16 30.614 -0.625 -0.712 1.00 41.31 O ATOM 158 CB SER A 16 28.462 -2.915 -0.479 1.00 30.13 C ATOM 159 OG SER A 16 28.563 -4.321 -0.360 1.00 38.61 O ATOM 160 HG SER A 16 28.267 -4.597 0.543 1.00 0.00 H ATOM 161 H SER A 16 27.675 -2.471 1.939 1.00 0.00 H ATOM 162 N THR A 17 28.831 0.190 0.369 1.00 36.57 N ATOM 163 CA THR A 17 29.074 1.542 -0.103 1.00 38.86 C ATOM 164 C THR A 17 29.347 2.455 1.085 1.00 40.20 C ATOM 165 O THR A 17 29.068 2.108 2.237 1.00 37.86 O ATOM 166 CB THR A 17 27.892 2.071 -0.927 1.00 41.20 C ATOM 167 OG1 THR A 17 28.276 3.285 -1.594 1.00 43.96 O ATOM 168 CG2 THR A 17 26.684 2.327 -0.029 1.00 33.38 C ATOM 169 HG1 THR A 17 27.512 3.624 -2.125 1.00 0.00 H ATOM 170 H THR A 17 28.007 -0.002 0.973 1.00 0.00 H ATOM 171 N SER A 18 29.911 3.628 0.791 1.00 38.00 N ATOM 172 CA SER A 18 30.256 4.584 1.837 1.00 38.52 C ATOM 173 C SER A 18 29.117 5.548 2.152 1.00 40.40 C ATOM 174 O SER A 18 29.061 6.082 3.266 1.00 35.56 O ATOM 175 CB SER A 18 31.510 5.372 1.438 1.00 43.52 C ATOM 176 OG SER A 18 31.225 6.315 0.420 1.00 44.31 O ATOM 177 HG SER A 18 32.052 6.806 0.185 1.00 0.00 H ATOM 178 H SER A 18 30.108 3.865 -0.202 1.00 0.00 H ATOM 179 N ALA A 19 28.212 5.774 1.199 1.00 36.69 N ATOM 180 CA ALA A 19 27.083 6.682 1.358 1.00 33.59 C ATOM 181 C ALA A 19 26.001 6.264 0.371 1.00 40.99 C ATOM 182 O ALA A 19 26.220 5.408 -0.491 1.00 46.60 O ATOM 183 CB ALA A 19 27.492 8.143 1.129 1.00 36.68 C ATOM 184 H ALA A 19 28.318 5.275 0.293 1.00 0.00 H ATOM 185 N ALA A 20 24.828 6.880 0.504 1.00 38.86 N ATOM 186 CA ALA A 20 23.724 6.563 -0.392 1.00 39.24 C ATOM 187 C ALA A 20 24.140 6.841 -1.825 1.00 47.34 C ATOM 188 O ALA A 20 24.715 7.894 -2.133 1.00 46.64 O ATOM 189 CB ALA A 20 22.487 7.375 -0.036 1.00 36.55 C ATOM 190 H ALA A 20 24.699 7.591 1.252 1.00 0.00 H ATOM 191 N SER A 21 23.872 5.879 -2.696 1.00 48.16 N ATOM 192 CA SER A 21 24.319 5.989 -4.072 1.00 45.43 C ATOM 193 C SER A 21 23.571 7.119 -4.753 1.00 46.87 C ATOM 194 O SER A 21 23.952 8.296 -4.656 1.00 50.03 O ATOM 195 CB SER A 21 24.114 4.661 -4.804 1.00 46.13 C ATOM 196 OG SER A 21 24.519 3.574 -3.986 1.00 49.85 O ATOM 197 HG SER A 21 25.478 3.672 -3.760 1.00 0.00 H ATOM 198 H SER A 21 23.338 5.040 -2.391 1.00 0.00 H ATOM 199 N SER A 22 22.496 6.773 -5.434 1.00 45.66 N ATOM 200 CA SER A 22 21.683 7.767 -6.098 1.00 38.61 C ATOM 201 C SER A 22 20.472 8.101 -5.242 1.00 41.78 C ATOM 202 O SER A 22 20.223 7.503 -4.190 1.00 36.31 O ATOM 203 CB SER A 22 21.255 7.256 -7.471 1.00 43.42 C ATOM 204 OG SER A 22 20.755 5.935 -7.366 1.00 41.48 O ATOM 205 HG SER A 22 20.481 5.615 -8.262 1.00 0.00 H ATOM 206 H SER A 22 22.229 5.770 -5.494 1.00 0.00 H ATOM 207 N SER A 23 19.716 9.088 -5.716 1.00 41.22 N ATOM 208 CA SER A 23 18.335 9.255 -5.294 1.00 35.06 C ATOM 209 C SER A 23 17.553 7.948 -5.392 1.00 33.14 C ATOM 210 O SER A 23 16.510 7.807 -4.745 1.00 39.02 O ATOM 211 CB SER A 23 17.712 10.336 -6.173 1.00 39.46 C ATOM 212 OG SER A 23 18.265 10.227 -7.486 1.00 31.23 O ATOM 213 HG SER A 23 17.869 10.923 -8.068 1.00 0.00 H ATOM 214 H SER A 23 20.122 9.755 -6.403 1.00 0.00 H ATOM 215 N ASN A 24 18.038 6.996 -6.192 1.00 36.84 N ATOM 216 CA ASN A 24 17.419 5.695 -6.432 1.00 39.07 C ATOM 217 C ASN A 24 17.711 4.671 -5.338 1.00 34.41 C ATOM 218 O ASN A 24 17.084 3.605 -5.347 1.00 27.01 O ATOM 219 CB ASN A 24 17.917 5.102 -7.763 1.00 39.07 C ATOM 220 CG ASN A 24 17.128 5.574 -8.965 1.00 49.71 C ATOM 221 OD1 ASN A 24 17.360 5.108 -10.087 1.00 49.77 O ATOM 222 ND2 ASN A 24 16.186 6.486 -8.746 1.00 49.15 N ATOM 223 HD22 ASN A 24 16.027 6.849 -7.784 1.00 0.00 H ATOM 224 HD21 ASN A 24 15.608 6.837 -9.536 1.00 0.00 H ATOM 225 H ASN A 24 18.931 7.197 -6.686 1.00 0.00 H ATOM 226 N TYR A 25 18.639 4.966 -4.417 1.00 31.53 N ATOM 227 CA TYR A 25 19.155 3.941 -3.499 1.00 31.59 C ATOM 228 C TYR A 25 18.025 3.256 -2.723 1.00 25.91 C ATOM 229 O TYR A 25 17.926 2.019 -2.699 1.00 30.49 O ATOM 230 CB TYR A 25 20.184 4.579 -2.554 1.00 32.98 C ATOM 231 CG TYR A 25 20.732 3.659 -1.475 1.00 32.93 C ATOM 232 CD1 TYR A 25 21.852 2.865 -1.710 1.00 33.47 C ATOM 233 CD2 TYR A 25 20.133 3.595 -0.213 1.00 31.45 C ATOM 234 CE1 TYR A 25 22.361 2.022 -0.721 1.00 29.27 C ATOM 235 CE2 TYR A 25 20.635 2.759 0.787 1.00 25.72 C ATOM 236 CZ TYR A 25 21.751 1.978 0.535 1.00 29.82 C ATOM 237 OH TYR A 25 22.241 1.126 1.524 1.00 25.98 O ATOM 238 HH TYR A 25 23.036 0.646 1.180 1.00 0.00 H ATOM 239 H TYR A 25 19.001 5.939 -4.351 1.00 0.00 H ATOM 240 N CYS A 26 17.139 4.039 -2.106 1.00 27.90 N ATOM 241 CA CYS A 26 16.121 3.435 -1.248 1.00 23.25 C ATOM 242 C CYS A 26 15.089 2.654 -2.054 1.00 30.12 C ATOM 243 O CYS A 26 14.587 1.621 -1.595 1.00 26.47 O ATOM 244 CB CYS A 26 15.432 4.501 -0.403 1.00 23.76 C ATOM 245 SG CYS A 26 16.525 5.203 0.818 1.00 24.37 S ATOM 246 H CYS A 26 17.172 5.071 -2.234 1.00 0.00 H ATOM 247 N ASN A 27 14.731 3.142 -3.242 1.00 28.54 N ATOM 248 CA ASN A 27 13.767 2.408 -4.056 1.00 31.72 C ATOM 249 C ASN A 27 14.249 0.988 -4.313 1.00 28.19 C ATOM 250 O ASN A 27 13.507 0.017 -4.114 1.00 33.49 O ATOM 251 CB ASN A 27 13.522 3.151 -5.366 1.00 32.74 C ATOM 252 CG ASN A 27 12.820 4.474 -5.152 1.00 29.48 C ATOM 253 OD1 ASN A 27 12.018 4.617 -4.228 1.00 31.75 O ATOM 254 ND2 ASN A 27 13.110 5.451 -6.014 1.00 36.73 N ATOM 255 HD22 ASN A 27 13.794 5.283 -6.779 1.00 0.00 H ATOM 256 HD21 ASN A 27 12.652 6.380 -5.921 1.00 0.00 H ATOM 257 H ASN A 27 15.135 4.037 -3.585 1.00 0.00 H ATOM 258 N GLN A 28 15.512 0.851 -4.705 1.00 26.94 N ATOM 259 CA GLN A 28 16.104 -0.448 -4.998 1.00 30.95 C ATOM 260 C GLN A 28 16.440 -1.222 -3.725 1.00 31.21 C ATOM 261 O GLN A 28 16.213 -2.436 -3.659 1.00 31.12 O ATOM 262 CB GLN A 28 17.351 -0.256 -5.858 1.00 28.38 C ATOM 263 CG GLN A 28 17.162 0.755 -7.004 1.00 38.53 C ATOM 264 CD GLN A 28 18.474 1.280 -7.582 1.00 46.60 C ATOM 265 OE1 GLN A 28 19.500 1.346 -6.893 1.00 44.62 O ATOM 266 NE2 GLN A 28 18.438 1.675 -8.858 1.00 47.95 N ATOM 267 HE22 GLN A 28 17.554 1.602 -9.400 1.00 0.00 H ATOM 268 HE21 GLN A 28 19.294 2.056 -9.309 1.00 0.00 H ATOM 269 H GLN A 28 16.100 1.703 -4.806 1.00 0.00 H ATOM 270 N MET A 29 16.967 -0.545 -2.698 1.00 25.94 N ATOM 271 CA MET A 29 17.381 -1.280 -1.500 1.00 31.62 C ATOM 272 C MET A 29 16.185 -1.761 -0.692 1.00 26.75 C ATOM 273 O MET A 29 16.207 -2.876 -0.155 1.00 28.75 O ATOM 274 CB MET A 29 18.302 -0.422 -0.631 1.00 27.97 C ATOM 275 CG MET A 29 19.703 -0.308 -1.176 1.00 26.54 C ATOM 276 SD MET A 29 20.626 -1.861 -1.022 1.00 38.44 S ATOM 277 CE MET A 29 20.764 -1.997 0.769 1.00 31.29 C ATOM 278 H MET A 29 17.081 0.487 -2.749 1.00 0.00 H ATOM 279 N MET A 30 15.134 -0.938 -0.562 1.00 25.43 N ATOM 280 CA MET A 30 13.959 -1.405 0.166 1.00 28.26 C ATOM 281 C MET A 30 13.320 -2.606 -0.524 1.00 29.41 C ATOM 282 O MET A 30 12.795 -3.500 0.150 1.00 27.07 O ATOM 283 CB MET A 30 12.946 -0.271 0.334 1.00 27.39 C ATOM 284 CG MET A 30 13.498 0.910 1.128 1.00 23.85 C ATOM 285 SD MET A 30 13.708 0.512 2.878 1.00 22.53 S ATOM 286 CE MET A 30 12.004 0.301 3.394 1.00 29.53 C ATOM 287 H MET A 30 15.156 0.017 -0.973 1.00 0.00 H ATOM 288 N LYS A 31 13.387 -2.647 -1.859 1.00 30.64 N ATOM 289 CA LYS A 31 12.858 -3.769 -2.633 1.00 32.21 C ATOM 290 C LYS A 31 13.672 -5.041 -2.403 1.00 30.21 C ATOM 291 O LYS A 31 13.127 -6.077 -1.998 1.00 35.40 O ATOM 292 CB LYS A 31 12.851 -3.395 -4.118 1.00 36.82 C ATOM 293 CG LYS A 31 12.026 -4.320 -5.014 1.00 44.58 C ATOM 294 CD LYS A 31 11.157 -3.512 -5.979 1.00 42.44 C ATOM 295 CE LYS A 31 10.923 -4.269 -7.276 1.00 54.89 C ATOM 296 NZ LYS A 31 10.165 -5.541 -7.053 1.00 53.91 N ATOM 297 HZ1 LYS A 31 10.703 -6.156 -6.410 1.00 0.00 H ATOM 298 HZ2 LYS A 31 9.240 -5.322 -6.632 1.00 0.00 H ATOM 299 HZ3 LYS A 31 10.027 -6.025 -7.963 1.00 0.00 H ATOM 300 H LYS A 31 13.831 -1.853 -2.364 1.00 0.00 H ATOM 301 N SER A 32 14.987 -4.972 -2.639 1.00 30.33 N ATOM 302 CA SER A 32 15.818 -6.172 -2.633 1.00 31.18 C ATOM 303 C SER A 32 15.978 -6.777 -1.240 1.00 32.07 C ATOM 304 O SER A 32 16.199 -7.987 -1.128 1.00 32.46 O ATOM 305 CB SER A 32 17.186 -5.857 -3.227 1.00 34.85 C ATOM 306 OG SER A 32 17.861 -4.901 -2.437 1.00 36.05 O ATOM 307 HG SER A 32 17.982 -5.257 -1.521 1.00 0.00 H ATOM 308 H SER A 32 15.424 -4.048 -2.830 1.00 0.00 H ATOM 309 N ARG A 33 15.895 -5.976 -0.173 1.00 31.65 N ATOM 310 CA ARG A 33 15.970 -6.516 1.182 1.00 30.15 C ATOM 311 C ARG A 33 14.611 -6.947 1.708 1.00 31.82 C ATOM 312 O ARG A 33 14.466 -7.182 2.912 1.00 30.53 O ATOM 313 CB ARG A 33 16.605 -5.498 2.138 1.00 27.98 C ATOM 314 CG ARG A 33 17.996 -5.059 1.718 1.00 20.28 C ATOM 315 CD ARG A 33 18.983 -6.206 1.766 1.00 20.06 C ATOM 316 NE ARG A 33 20.354 -5.748 1.569 1.00 24.71 N ATOM 317 CZ ARG A 33 21.135 -5.255 2.537 1.00 26.98 C ATOM 318 NH1 ARG A 33 20.688 -5.151 3.785 1.00 22.58 N ATOM 319 NH2 ARG A 33 22.367 -4.876 2.266 1.00 23.33 N ATOM 320 HE ARG A 33 20.752 -5.809 0.610 1.00 0.00 H ATOM 321 HH12 ARG A 33 21.305 -4.766 4.528 1.00 0.00 H ATOM 322 HH11 ARG A 33 19.721 -5.455 4.018 1.00 0.00 H ATOM 323 HH22 ARG A 33 22.971 -4.493 3.021 1.00 0.00 H ATOM 324 HH21 ARG A 33 22.736 -4.960 1.297 1.00 0.00 H ATOM 325 H ARG A 33 15.775 -4.952 -0.310 1.00 0.00 H ATOM 326 N ASN A 34 13.608 -7.023 0.826 1.00 34.92 N ATOM 327 CA ASN A 34 12.288 -7.566 1.140 1.00 36.62 C ATOM 328 C ASN A 34 11.562 -6.740 2.196 1.00 33.40 C ATOM 329 O ASN A 34 10.841 -7.273 3.035 1.00 39.47 O ATOM 330 CB ASN A 34 12.381 -9.031 1.562 1.00 39.22 C ATOM 331 CG ASN A 34 12.245 -9.971 0.395 1.00 43.91 C ATOM 332 OD1 ASN A 34 12.228 -9.547 -0.763 1.00 45.54 O ATOM 333 ND2 ASN A 34 12.139 -11.262 0.688 1.00 46.44 N ATOM 334 HD22 ASN A 34 12.158 -11.573 1.680 1.00 0.00 H ATOM 335 HD21 ASN A 34 12.037 -11.962 -0.075 1.00 0.00 H ATOM 336 H ASN A 34 13.777 -6.675 -0.139 1.00 0.00 H ATOM 337 N LEU A 35 11.746 -5.422 2.142 1.00 32.26 N ATOM 338 CA LEU A 35 11.057 -4.505 3.035 1.00 33.02 C ATOM 339 C LEU A 35 9.797 -3.911 2.416 1.00 33.73 C ATOM 340 O LEU A 35 9.067 -3.190 3.109 1.00 35.80 O ATOM 341 CB LEU A 35 12.004 -3.374 3.454 1.00 32.49 C ATOM 342 CG LEU A 35 13.290 -3.928 4.064 1.00 29.21 C ATOM 343 CD1 LEU A 35 14.295 -2.819 4.372 1.00 23.68 C ATOM 344 CD2 LEU A 35 12.916 -4.732 5.313 1.00 34.77 C ATOM 345 H LEU A 35 12.405 -5.036 1.437 1.00 0.00 H ATOM 346 N THR A 36 9.531 -4.196 1.139 1.00 38.93 N ATOM 347 CA THR A 36 8.332 -3.729 0.452 1.00 42.17 C ATOM 348 C THR A 36 7.379 -4.858 0.071 1.00 47.02 C ATOM 349 O THR A 36 6.471 -4.640 -0.740 1.00 47.74 O ATOM 350 CB THR A 36 8.707 -2.937 -0.803 1.00 35.44 C ATOM 351 OG1 THR A 36 9.275 -3.806 -1.792 1.00 38.84 O ATOM 352 CG2 THR A 36 9.702 -1.854 -0.455 1.00 37.28 C ATOM 353 HG1 THR A 36 8.615 -4.503 -2.035 1.00 0.00 H ATOM 354 H THR A 36 10.211 -4.778 0.609 1.00 0.00 H ATOM 355 N LYS A 37 7.536 -6.051 0.636 1.00 46.75 N ATOM 356 CA LYS A 37 6.908 -7.189 -0.020 1.00 47.53 C ATOM 357 C LYS A 37 5.507 -7.489 0.480 1.00 48.53 C ATOM 358 O LYS A 37 4.658 -7.893 -0.322 1.00 47.69 O ATOM 359 CB LYS A 37 7.819 -8.415 0.073 1.00 46.50 C ATOM 360 CG LYS A 37 8.992 -8.384 -0.946 1.00 50.28 C ATOM 361 CD LYS A 37 8.540 -8.266 -2.436 1.00 51.87 C ATOM 362 CE LYS A 37 8.252 -6.826 -2.939 1.00 49.94 C ATOM 363 NZ LYS A 37 7.610 -6.759 -4.288 1.00 50.00 N ATOM 364 HZ1 LYS A 37 8.233 -7.207 -4.990 1.00 0.00 H ATOM 365 HZ2 LYS A 37 6.699 -7.260 -4.262 1.00 0.00 H ATOM 366 HZ3 LYS A 37 7.453 -5.764 -4.547 1.00 0.00 H ATOM 367 H LYS A 37 8.085 -6.167 1.511 1.00 0.00 H ATOM 368 N ASP A 38 5.225 -7.282 1.764 1.00 47.87 N ATOM 369 CA ASP A 38 3.853 -7.362 2.250 1.00 49.43 C ATOM 370 C ASP A 38 3.168 -6.006 2.253 1.00 52.68 C ATOM 371 O ASP A 38 1.932 -5.939 2.260 1.00 53.81 O ATOM 372 CB ASP A 38 3.826 -7.939 3.666 1.00 54.24 C ATOM 373 CG ASP A 38 4.168 -9.411 3.700 1.00 54.11 C ATOM 374 OD1 ASP A 38 4.644 -9.937 2.668 1.00 55.61 O ATOM 375 OD2 ASP A 38 3.970 -10.036 4.763 1.00 57.71 O ATOM 376 H ASP A 38 5.993 -7.060 2.429 1.00 0.00 H ATOM 377 N ARG A 39 3.956 -4.935 2.244 1.00 49.65 N ATOM 378 CA ARG A 39 3.496 -3.558 2.325 1.00 46.89 C ATOM 379 C ARG A 39 4.716 -2.681 2.111 1.00 50.64 C ATOM 380 O ARG A 39 5.817 -3.203 1.925 1.00 48.69 O ATOM 381 CB ARG A 39 2.855 -3.265 3.678 1.00 47.35 C ATOM 382 CG ARG A 39 3.844 -3.329 4.830 1.00 50.29 C ATOM 383 CD ARG A 39 3.263 -2.738 6.104 1.00 51.38 C ATOM 384 NE ARG A 39 4.294 -2.532 7.116 1.00 50.20 N ATOM 385 CZ ARG A 39 4.334 -1.488 7.936 1.00 49.56 C ATOM 386 NH1 ARG A 39 3.396 -0.553 7.861 1.00 49.37 N ATOM 387 NH2 ARG A 39 5.310 -1.376 8.825 1.00 46.53 N ATOM 388 HE ARG A 39 5.044 -3.247 7.200 1.00 0.00 H ATOM 389 HH12 ARG A 39 3.425 0.265 8.502 1.00 0.00 H ATOM 390 HH11 ARG A 39 2.631 -0.638 7.161 1.00 0.00 H ATOM 391 HH22 ARG A 39 5.338 -0.557 9.466 1.00 0.00 H ATOM 392 HH21 ARG A 39 6.048 -2.107 8.882 1.00 0.00 H ATOM 393 H ARG A 39 4.981 -5.095 2.174 1.00 0.00 H ATOM 394 N CYS A 40 4.559 -1.366 2.149 1.00 47.07 N ATOM 395 CA CYS A 40 5.708 -0.471 2.119 1.00 44.52 C ATOM 396 C CYS A 40 6.114 -0.176 3.557 1.00 40.36 C ATOM 397 O CYS A 40 5.384 0.503 4.285 1.00 39.35 O ATOM 398 CB CYS A 40 5.384 0.815 1.367 1.00 44.48 C ATOM 399 SG CYS A 40 4.751 0.622 -0.322 1.00 50.30 S ATOM 400 H CYS A 40 3.600 -0.966 2.201 1.00 0.00 H ATOM 401 N LYS A 41 7.261 -0.702 3.984 1.00 36.10 N ATOM 402 CA LYS A 41 7.787 -0.277 5.268 1.00 38.08 C ATOM 403 C LYS A 41 7.912 1.239 5.221 1.00 31.07 C ATOM 404 O LYS A 41 8.560 1.769 4.305 1.00 29.72 O ATOM 405 CB LYS A 41 9.137 -0.917 5.580 1.00 32.50 C ATOM 406 CG LYS A 41 9.690 -0.489 6.922 1.00 37.35 C ATOM 407 CD LYS A 41 10.738 -1.445 7.469 1.00 33.02 C ATOM 408 CE LYS A 41 11.162 -1.008 8.871 1.00 38.45 C ATOM 409 NZ LYS A 41 12.304 -1.797 9.397 1.00 42.02 N ATOM 410 HZ1 LYS A 41 12.038 -2.801 9.443 1.00 0.00 H ATOM 411 HZ2 LYS A 41 13.123 -1.682 8.766 1.00 0.00 H ATOM 412 HZ3 LYS A 41 12.549 -1.458 10.349 1.00 0.00 H ATOM 413 H LYS A 41 7.769 -1.403 3.409 1.00 0.00 H ATOM 414 N PRO A 42 7.297 1.964 6.149 1.00 35.32 N ATOM 415 CA PRO A 42 7.251 3.427 6.022 1.00 32.50 C ATOM 416 C PRO A 42 8.612 4.108 6.092 1.00 32.62 C ATOM 417 O PRO A 42 8.852 5.056 5.338 1.00 31.57 O ATOM 418 CB PRO A 42 6.359 3.845 7.199 1.00 32.33 C ATOM 419 CG PRO A 42 5.590 2.647 7.557 1.00 36.46 C ATOM 420 CD PRO A 42 6.462 1.474 7.258 1.00 38.43 C ATOM 421 N VAL A 43 9.482 3.709 7.024 1.00 30.85 N ATOM 422 CA VAL A 43 10.790 4.343 7.201 1.00 26.29 C ATOM 423 C VAL A 43 11.811 3.262 7.544 1.00 26.96 C ATOM 424 O VAL A 43 11.501 2.293 8.239 1.00 25.04 O ATOM 425 CB VAL A 43 10.777 5.438 8.299 1.00 29.47 C ATOM 426 CG1 VAL A 43 11.941 6.395 8.095 1.00 35.15 C ATOM 427 CG2 VAL A 43 9.462 6.219 8.317 1.00 34.34 C ATOM 428 H VAL A 43 9.220 2.919 7.647 1.00 0.00 H ATOM 429 N ASN A 44 13.043 3.432 7.063 1.00 20.63 N ATOM 430 CA ASN A 44 14.072 2.437 7.338 1.00 18.20 C ATOM 431 C ASN A 44 15.420 3.099 7.182 1.00 21.89 C ATOM 432 O ASN A 44 15.571 3.999 6.359 1.00 25.13 O ATOM 433 CB ASN A 44 13.981 1.239 6.391 1.00 17.00 C ATOM 434 CG ASN A 44 14.870 0.109 6.824 1.00 22.64 C ATOM 435 OD1 ASN A 44 14.615 -0.531 7.851 1.00 23.08 O ATOM 436 ND2 ASN A 44 15.929 -0.145 6.058 1.00 19.79 N ATOM 437 HD22 ASN A 44 16.100 0.422 5.203 1.00 0.00 H ATOM 438 HD21 ASN A 44 16.585 -0.910 6.314 1.00 0.00 H ATOM 439 H ASN A 44 13.269 4.272 6.493 1.00 0.00 H ATOM 440 N THR A 45 16.401 2.637 7.965 1.00 17.93 N ATOM 441 CA THR A 45 17.763 3.159 7.903 1.00 19.26 C ATOM 442 C THR A 45 18.752 2.052 7.563 1.00 16.91 C ATOM 443 O THR A 45 18.684 0.947 8.116 1.00 15.48 O ATOM 444 CB THR A 45 18.176 3.808 9.246 1.00 15.67 C ATOM 445 OG1 THR A 45 17.286 4.886 9.527 1.00 20.28 O ATOM 446 CG2 THR A 45 19.617 4.328 9.197 1.00 18.17 C ATOM 447 HG1 THR A 45 17.340 5.555 8.799 1.00 0.00 H ATOM 448 H THR A 45 16.186 1.878 8.643 1.00 0.00 H ATOM 449 N PHE A 46 19.676 2.362 6.661 1.00 15.50 N ATOM 450 CA PHE A 46 20.765 1.470 6.305 1.00 18.53 C ATOM 451 C PHE A 46 22.068 2.068 6.815 1.00 18.69 C ATOM 452 O PHE A 46 22.271 3.282 6.724 1.00 19.27 O ATOM 453 CB PHE A 46 20.829 1.251 4.792 1.00 19.88 C ATOM 454 CG PHE A 46 19.686 0.416 4.257 1.00 18.41 C ATOM 455 CD1 PHE A 46 19.692 -0.961 4.395 1.00 17.82 C ATOM 456 CD2 PHE A 46 18.633 1.004 3.594 1.00 18.36 C ATOM 457 CE1 PHE A 46 18.650 -1.741 3.901 1.00 22.33 C ATOM 458 CE2 PHE A 46 17.582 0.226 3.086 1.00 20.40 C ATOM 459 CZ PHE A 46 17.584 -1.143 3.254 1.00 22.24 C ATOM 460 H PHE A 46 19.617 3.286 6.188 1.00 0.00 H ATOM 461 N VAL A 47 22.933 1.213 7.365 1.00 19.43 N ATOM 462 CA VAL A 47 24.182 1.634 7.988 1.00 17.23 C ATOM 463 C VAL A 47 25.347 1.148 7.128 1.00 17.41 C ATOM 464 O VAL A 47 25.492 -0.061 6.892 1.00 19.01 O ATOM 465 CB VAL A 47 24.313 1.105 9.429 1.00 18.74 C ATOM 466 CG1 VAL A 47 25.584 1.689 10.103 1.00 17.77 C ATOM 467 CG2 VAL A 47 23.054 1.420 10.237 1.00 13.96 C ATOM 468 H VAL A 47 22.705 0.198 7.348 1.00 0.00 H ATOM 469 N HIS A 48 26.182 2.097 6.704 1.00 20.98 N ATOM 470 CA HIS A 48 27.349 1.837 5.853 1.00 24.58 C ATOM 471 C HIS A 48 28.621 1.843 6.694 1.00 25.00 C ATOM 472 O HIS A 48 29.495 2.719 6.573 1.00 23.13 O ATOM 473 CB HIS A 48 27.441 2.875 4.742 1.00 25.86 C ATOM 474 CG HIS A 48 26.137 3.156 4.071 1.00 26.81 C ATOM 475 ND1 HIS A 48 25.403 2.182 3.428 1.00 31.52 N ATOM 476 CD2 HIS A 48 25.423 4.298 3.964 1.00 23.04 C ATOM 477 CE1 HIS A 48 24.298 2.719 2.938 1.00 28.90 C ATOM 478 NE2 HIS A 48 24.295 4.006 3.237 1.00 28.50 N ATOM 479 H HIS A 48 25.995 3.078 6.993 1.00 0.00 H ATOM 480 N GLU A 49 28.684 0.862 7.589 1.00 20.80 N ATOM 481 CA GLU A 49 29.884 0.570 8.361 1.00 18.75 C ATOM 482 C GLU A 49 30.049 -0.944 8.392 1.00 20.63 C ATOM 483 O GLU A 49 29.127 -1.693 8.047 1.00 23.52 O ATOM 484 CB GLU A 49 29.791 1.149 9.793 1.00 21.49 C ATOM 485 CG GLU A 49 29.481 2.626 9.882 1.00 18.46 C ATOM 486 CD GLU A 49 30.616 3.508 9.389 1.00 23.49 C ATOM 487 OE1 GLU A 49 31.752 3.005 9.263 1.00 25.51 O ATOM 488 OE2 GLU A 49 30.368 4.711 9.152 1.00 23.04 O ATOM 489 H GLU A 49 27.838 0.277 7.745 1.00 0.00 H ATOM 490 N SER A 50 31.220 -1.412 8.830 1.00 21.76 N ATOM 491 CA SER A 50 31.409 -2.848 8.949 1.00 22.33 C ATOM 492 C SER A 50 30.408 -3.429 9.938 1.00 25.75 C ATOM 493 O SER A 50 29.868 -2.725 10.791 1.00 21.74 O ATOM 494 CB SER A 50 32.837 -3.186 9.382 1.00 23.65 C ATOM 495 OG SER A 50 33.122 -2.748 10.705 1.00 22.41 O ATOM 496 HG SER A 50 34.054 -2.989 10.938 1.00 0.00 H ATOM 497 H SER A 50 31.987 -0.757 9.083 1.00 0.00 H ATOM 498 N LEU A 51 30.123 -4.721 9.781 1.00 23.99 N ATOM 499 CA LEU A 51 29.304 -5.416 10.772 1.00 26.03 C ATOM 500 C LEU A 51 29.962 -5.374 12.143 1.00 22.32 C ATOM 501 O LEU A 51 29.280 -5.217 13.159 1.00 22.06 O ATOM 502 CB LEU A 51 29.062 -6.867 10.359 1.00 28.45 C ATOM 503 CG LEU A 51 28.250 -7.703 11.364 1.00 25.61 C ATOM 504 CD1 LEU A 51 26.815 -7.191 11.548 1.00 26.10 C ATOM 505 CD2 LEU A 51 28.234 -9.181 10.983 1.00 30.19 C ATOM 506 H LEU A 51 30.484 -5.236 8.952 1.00 0.00 H ATOM 507 N ALA A 52 31.292 -5.519 12.199 1.00 25.23 N ATOM 508 CA ALA A 52 31.957 -5.478 13.500 1.00 22.40 C ATOM 509 C ALA A 52 31.760 -4.120 14.172 1.00 20.68 C ATOM 510 O ALA A 52 31.506 -4.051 15.383 1.00 20.19 O ATOM 511 CB ALA A 52 33.445 -5.812 13.348 1.00 24.35 C ATOM 512 H ALA A 52 31.844 -5.659 11.329 1.00 0.00 H ATOM 513 N ASP A 53 31.817 -3.034 13.400 1.00 19.16 N ATOM 514 CA ASP A 53 31.625 -1.714 13.994 1.00 18.62 C ATOM 515 C ASP A 53 30.205 -1.541 14.512 1.00 20.65 C ATOM 516 O ASP A 53 29.993 -0.913 15.559 1.00 16.64 O ATOM 517 CB ASP A 53 31.940 -0.615 12.984 1.00 22.28 C ATOM 518 CG ASP A 53 33.429 -0.374 12.835 1.00 27.91 C ATOM 519 OD1 ASP A 53 34.218 -1.099 13.483 1.00 31.68 O ATOM 520 OD2 ASP A 53 33.803 0.544 12.081 1.00 26.07 O ATOM 521 H ASP A 53 31.997 -3.127 12.380 1.00 0.00 H ATOM 522 N VAL A 54 29.214 -2.046 13.781 1.00 18.93 N ATOM 523 CA VAL A 54 27.844 -1.888 14.263 1.00 15.36 C ATOM 524 C VAL A 54 27.583 -2.814 15.448 1.00 17.68 C ATOM 525 O VAL A 54 26.969 -2.410 16.446 1.00 14.91 O ATOM 526 CB VAL A 54 26.846 -2.113 13.115 1.00 15.68 C ATOM 527 CG1 VAL A 54 25.413 -2.190 13.658 1.00 15.89 C ATOM 528 CG2 VAL A 54 26.991 -0.994 12.080 1.00 18.05 C ATOM 529 H VAL A 54 29.410 -2.541 12.888 1.00 0.00 H ATOM 530 N GLN A 55 28.082 -4.061 15.390 1.00 16.23 N ATOM 531 CA GLN A 55 27.923 -4.964 16.528 1.00 18.74 C ATOM 532 C GLN A 55 28.529 -4.368 17.790 1.00 14.45 C ATOM 533 O GLN A 55 27.985 -4.536 18.895 1.00 14.91 O ATOM 534 CB GLN A 55 28.561 -6.312 16.204 1.00 16.95 C ATOM 535 CG GLN A 55 27.665 -7.140 15.320 1.00 15.41 C ATOM 536 CD GLN A 55 28.330 -8.436 14.870 1.00 21.98 C ATOM 537 OE1 GLN A 55 29.552 -8.551 14.900 1.00 25.94 O ATOM 538 NE2 GLN A 55 27.525 -9.403 14.463 1.00 22.64 N ATOM 539 HE22 GLN A 55 26.496 -9.255 14.457 1.00 0.00 H ATOM 540 HE21 GLN A 55 27.921 -10.312 14.149 1.00 0.00 H ATOM 541 H GLN A 55 28.581 -4.383 14.536 1.00 0.00 H ATOM 542 N ALA A 56 29.646 -3.656 17.641 1.00 15.69 N ATOM 543 CA ALA A 56 30.344 -3.092 18.792 1.00 16.54 C ATOM 544 C ALA A 56 29.513 -2.051 19.523 1.00 17.03 C ATOM 545 O ALA A 56 29.791 -1.773 20.698 1.00 14.03 O ATOM 546 CB ALA A 56 31.664 -2.435 18.361 1.00 18.74 C ATOM 547 H ALA A 56 30.027 -3.499 16.686 1.00 0.00 H ATOM 548 N VAL A 57 28.523 -1.459 18.853 1.00 14.27 N ATOM 549 CA VAL A 57 27.680 -0.464 19.500 1.00 13.30 C ATOM 550 C VAL A 57 26.948 -1.059 20.695 1.00 12.35 C ATOM 551 O VAL A 57 26.619 -0.326 21.636 1.00 13.90 O ATOM 552 CB VAL A 57 26.733 0.160 18.447 1.00 12.58 C ATOM 553 CG1 VAL A 57 25.777 1.198 19.083 1.00 11.25 C ATOM 554 CG2 VAL A 57 27.572 0.857 17.332 1.00 11.46 C ATOM 555 H VAL A 57 28.352 -1.711 17.859 1.00 0.00 H ATOM 556 N CYS A 58 26.738 -2.390 20.730 1.00 13.36 N ATOM 557 CA CYS A 58 26.077 -3.027 21.871 1.00 15.06 C ATOM 558 C CYS A 58 26.878 -2.928 23.163 1.00 12.93 C ATOM 559 O CYS A 58 26.340 -3.242 24.238 1.00 13.71 O ATOM 560 CB CYS A 58 25.791 -4.506 21.574 1.00 16.75 C ATOM 561 SG CYS A 58 24.550 -4.748 20.268 1.00 18.52 S ATOM 562 H CYS A 58 27.052 -2.976 19.930 1.00 0.00 H ATOM 563 N SER A 59 28.159 -2.520 23.095 1.00 12.76 N ATOM 564 CA SER A 59 28.941 -2.244 24.293 1.00 16.27 C ATOM 565 C SER A 59 29.226 -0.757 24.483 1.00 15.24 C ATOM 566 O SER A 59 30.086 -0.404 25.289 1.00 17.28 O ATOM 567 CB SER A 59 30.265 -3.010 24.241 1.00 21.30 C ATOM 568 OG SER A 59 31.080 -2.438 23.214 1.00 28.30 O ATOM 569 HG SER A 59 30.612 -2.511 22.344 1.00 0.00 H ATOM 570 H SER A 59 28.602 -2.399 22.162 1.00 0.00 H ATOM 571 N GLN A 60 28.510 0.129 23.780 1.00 10.59 N ATOM 572 CA GLN A 60 28.804 1.556 23.816 1.00 10.83 C ATOM 573 C GLN A 60 27.784 2.263 24.715 1.00 13.37 C ATOM 574 O GLN A 60 27.516 1.759 25.805 1.00 17.26 O ATOM 575 CB GLN A 60 28.872 2.085 22.385 1.00 11.57 C ATOM 576 CG GLN A 60 30.164 1.509 21.739 1.00 11.20 C ATOM 577 CD GLN A 60 30.405 1.916 20.291 1.00 12.56 C ATOM 578 OE1 GLN A 60 29.941 2.950 19.823 1.00 15.01 O ATOM 579 NE2 GLN A 60 31.175 1.106 19.584 1.00 16.41 N ATOM 580 HE22 GLN A 60 31.550 0.237 20.015 1.00 0.00 H ATOM 581 HE21 GLN A 60 31.405 1.338 18.597 1.00 0.00 H ATOM 582 H GLN A 60 27.722 -0.210 23.192 1.00 0.00 H ATOM 583 N LYS A 61 27.253 3.425 24.342 1.00 13.33 N ATOM 584 CA LYS A 61 26.593 4.250 25.353 1.00 12.02 C ATOM 585 C LYS A 61 25.165 3.764 25.599 1.00 14.14 C ATOM 586 O LYS A 61 24.308 3.914 24.746 1.00 11.99 O ATOM 587 CB LYS A 61 26.580 5.717 24.951 1.00 12.30 C ATOM 588 CG LYS A 61 25.855 6.550 25.990 1.00 14.68 C ATOM 589 CD LYS A 61 25.823 8.000 25.562 1.00 26.18 C ATOM 590 CE LYS A 61 25.279 8.878 26.663 1.00 31.84 C ATOM 591 NZ LYS A 61 25.057 10.276 26.155 1.00 41.43 N ATOM 592 HZ1 LYS A 61 25.960 10.670 25.821 1.00 0.00 H ATOM 593 HZ2 LYS A 61 24.375 10.254 25.370 1.00 0.00 H ATOM 594 HZ3 LYS A 61 24.683 10.868 26.924 1.00 0.00 H ATOM 595 H LYS A 61 27.306 3.740 23.352 1.00 0.00 H ATOM 596 N ASN A 62 24.890 3.265 26.804 1.00 13.06 N ATOM 597 CA ASN A 62 23.569 2.738 27.134 1.00 12.43 C ATOM 598 C ASN A 62 22.581 3.888 27.316 1.00 12.70 C ATOM 599 O ASN A 62 22.830 4.825 28.102 1.00 13.81 O ATOM 600 CB ASN A 62 23.663 1.889 28.404 1.00 13.74 C ATOM 601 CG ASN A 62 22.396 1.127 28.721 1.00 13.96 C ATOM 602 OD1 ASN A 62 22.102 0.899 29.898 1.00 17.23 O ATOM 603 ND2 ASN A 62 21.664 0.681 27.702 1.00 14.82 N ATOM 604 HD22 ASN A 62 21.947 0.896 26.725 1.00 0.00 H ATOM 605 HD21 ASN A 62 20.809 0.118 27.883 1.00 0.00 H ATOM 606 H ASN A 62 25.636 3.251 27.528 1.00 0.00 H ATOM 607 N VAL A 63 21.464 3.815 26.575 1.00 11.31 N ATOM 608 CA VAL A 63 20.451 4.870 26.544 1.00 10.68 C ATOM 609 C VAL A 63 19.080 4.210 26.530 1.00 10.87 C ATOM 610 O VAL A 63 18.932 3.071 26.096 1.00 12.36 O ATOM 611 CB VAL A 63 20.588 5.824 25.313 1.00 11.53 C ATOM 612 CG1 VAL A 63 21.943 6.593 25.315 1.00 11.49 C ATOM 613 CG2 VAL A 63 20.331 5.104 23.977 1.00 12.29 C ATOM 614 H VAL A 63 21.311 2.966 25.994 1.00 0.00 H ATOM 615 N ALA A 64 18.078 4.932 27.007 1.00 9.15 N ATOM 616 CA ALA A 64 16.720 4.420 26.962 1.00 10.35 C ATOM 617 C ALA A 64 16.245 4.245 25.523 1.00 13.06 C ATOM 618 O ALA A 64 16.549 5.058 24.638 1.00 12.00 O ATOM 619 CB ALA A 64 15.770 5.364 27.728 1.00 12.63 C ATOM 620 H ALA A 64 18.264 5.870 27.416 1.00 0.00 H ATOM 621 N CYS A 65 15.494 3.172 25.299 1.00 10.78 N ATOM 622 CA CYS A 65 14.856 2.905 24.028 1.00 13.35 C ATOM 623 C CYS A 65 13.555 3.666 23.923 1.00 11.18 C ATOM 624 O CYS A 65 12.908 3.936 24.927 1.00 13.81 O ATOM 625 CB CYS A 65 14.510 1.423 23.891 1.00 11.59 C ATOM 626 SG CYS A 65 15.896 0.322 24.032 1.00 15.77 S ATOM 627 H CYS A 65 15.358 2.492 26.074 1.00 0.00 H ATOM 628 N LYS A 66 13.114 3.893 22.675 1.00 11.76 N ATOM 629 CA LYS A 66 11.854 4.578 22.426 1.00 14.87 C ATOM 630 C LYS A 66 10.676 3.878 23.089 1.00 14.06 C ATOM 631 O LYS A 66 9.736 4.547 23.538 1.00 15.72 O ATOM 632 CB LYS A 66 11.623 4.711 20.912 1.00 14.50 C ATOM 633 CG LYS A 66 12.390 5.863 20.293 1.00 13.31 C ATOM 634 CD LYS A 66 12.377 5.760 18.780 1.00 19.12 C ATOM 635 CE LYS A 66 12.990 7.004 18.163 1.00 26.29 C ATOM 636 NZ LYS A 66 12.674 7.122 16.702 1.00 27.63 N ATOM 637 HZ1 LYS A 66 13.048 6.292 16.199 1.00 0.00 H ATOM 638 HZ2 LYS A 66 11.643 7.170 16.574 1.00 0.00 H ATOM 639 HZ3 LYS A 66 13.112 7.985 16.322 1.00 0.00 H ATOM 640 H LYS A 66 13.686 3.572 21.868 1.00 0.00 H ATOM 641 N ASN A 67 10.699 2.549 23.169 1.00 14.71 N ATOM 642 CA ASN A 67 9.610 1.813 23.801 1.00 20.25 C ATOM 643 C ASN A 67 9.747 1.704 25.322 1.00 19.15 C ATOM 644 O ASN A 67 8.920 1.029 25.963 1.00 19.59 O ATOM 645 CB ASN A 67 9.477 0.411 23.174 1.00 17.21 C ATOM 646 CG ASN A 67 10.538 -0.556 23.650 1.00 18.41 C ATOM 647 OD1 ASN A 67 11.562 -0.151 24.186 1.00 15.48 O ATOM 648 ND2 ASN A 67 10.293 -1.857 23.451 1.00 18.47 N ATOM 649 HD22 ASN A 67 9.409 -2.155 22.991 1.00 0.00 H ATOM 650 HD21 ASN A 67 10.987 -2.569 23.756 1.00 0.00 H ATOM 651 H ASN A 67 11.507 2.027 22.774 1.00 0.00 H ATOM 652 N GLY A 68 10.749 2.350 25.921 1.00 14.93 N ATOM 653 CA GLY A 68 10.933 2.308 27.346 1.00 14.05 C ATOM 654 C GLY A 68 11.847 1.220 27.864 1.00 12.16 C ATOM 655 O GLY A 68 12.152 1.215 29.056 1.00 15.03 O ATOM 656 H GLY A 68 11.415 2.899 25.341 1.00 0.00 H ATOM 657 N GLN A 69 12.264 0.282 27.022 1.00 13.19 N ATOM 658 CA GLN A 69 13.212 -0.707 27.477 1.00 12.52 C ATOM 659 C GLN A 69 14.565 -0.052 27.680 1.00 15.99 C ATOM 660 O GLN A 69 14.812 1.076 27.262 1.00 15.63 O ATOM 661 CB GLN A 69 13.338 -1.848 26.466 1.00 12.62 C ATOM 662 CG GLN A 69 12.177 -2.841 26.505 1.00 15.66 C ATOM 663 CD GLN A 69 12.474 -4.012 25.603 1.00 19.60 C ATOM 664 OE1 GLN A 69 11.967 -4.081 24.497 1.00 18.78 O ATOM 665 NE2 GLN A 69 13.355 -4.920 26.065 1.00 21.26 N ATOM 666 HE22 GLN A 69 13.759 -4.815 27.018 1.00 0.00 H ATOM 667 HE21 GLN A 69 13.631 -5.726 25.469 1.00 0.00 H ATOM 668 H GLN A 69 11.911 0.260 26.044 1.00 0.00 H ATOM 669 N THR A 70 15.444 -0.766 28.355 1.00 14.06 N ATOM 670 CA THR A 70 16.750 -0.230 28.687 1.00 14.95 C ATOM 671 C THR A 70 17.876 -0.779 27.828 1.00 12.33 C ATOM 672 O THR A 70 19.044 -0.552 28.157 1.00 15.07 O ATOM 673 CB THR A 70 17.062 -0.504 30.160 1.00 19.58 C ATOM 674 OG1 THR A 70 17.187 -1.920 30.358 1.00 26.25 O ATOM 675 CG2 THR A 70 15.932 0.018 31.021 1.00 25.92 C ATOM 676 HG1 THR A 70 17.920 -2.268 29.791 1.00 0.00 H ATOM 677 H THR A 70 15.196 -1.731 28.655 1.00 0.00 H ATOM 678 N ASN A 71 17.574 -1.525 26.766 1.00 11.59 N ATOM 679 CA ASN A 71 18.623 -2.249 26.051 1.00 10.53 C ATOM 680 C ASN A 71 19.067 -1.522 24.779 1.00 12.72 C ATOM 681 O ASN A 71 19.382 -2.168 23.775 1.00 12.78 O ATOM 682 CB ASN A 71 18.149 -3.671 25.724 1.00 10.94 C ATOM 683 CG ASN A 71 16.943 -3.677 24.820 1.00 13.19 C ATOM 684 OD1 ASN A 71 16.049 -2.855 24.969 1.00 15.75 O ATOM 685 ND2 ASN A 71 16.927 -4.592 23.840 1.00 12.95 N ATOM 686 HD22 ASN A 71 17.709 -5.272 23.751 1.00 0.00 H ATOM 687 HD21 ASN A 71 16.133 -4.622 23.169 1.00 0.00 H ATOM 688 H ASN A 71 16.587 -1.592 26.444 1.00 0.00 H ATOM 689 N CYS A 72 19.100 -0.186 24.790 1.00 9.41 N ATOM 690 CA CYS A 72 19.520 0.548 23.606 1.00 9.21 C ATOM 691 C CYS A 72 20.881 1.172 23.839 1.00 8.78 C ATOM 692 O CYS A 72 21.277 1.474 24.966 1.00 10.74 O ATOM 693 CB CYS A 72 18.549 1.642 23.197 1.00 8.48 C ATOM 694 SG CYS A 72 17.110 0.825 22.402 1.00 14.96 S ATOM 695 H CYS A 72 18.824 0.331 25.649 1.00 0.00 H ATOM 696 N TYR A 73 21.596 1.367 22.740 1.00 9.40 N ATOM 697 CA TYR A 73 22.997 1.775 22.795 1.00 9.39 C ATOM 698 C TYR A 73 23.256 2.735 21.664 1.00 10.75 C ATOM 699 O TYR A 73 22.905 2.462 20.515 1.00 10.57 O ATOM 700 CB TYR A 73 23.945 0.566 22.685 1.00 11.37 C ATOM 701 CG TYR A 73 23.700 -0.397 23.808 1.00 11.71 C ATOM 702 CD1 TYR A 73 22.707 -1.357 23.716 1.00 11.45 C ATOM 703 CD2 TYR A 73 24.418 -0.288 24.985 1.00 14.01 C ATOM 704 CE1 TYR A 73 22.427 -2.200 24.766 1.00 13.39 C ATOM 705 CE2 TYR A 73 24.160 -1.126 26.042 1.00 13.13 C ATOM 706 CZ TYR A 73 23.145 -2.071 25.920 1.00 14.96 C ATOM 707 OH TYR A 73 22.879 -2.914 26.952 1.00 16.57 O ATOM 708 HH TYR A 73 22.135 -3.517 26.701 1.00 0.00 H ATOM 709 H TYR A 73 21.147 1.225 21.813 1.00 0.00 H ATOM 710 N GLN A 74 23.897 3.844 22.001 1.00 10.85 N ATOM 711 CA GLN A 74 24.215 4.903 21.055 1.00 11.35 C ATOM 712 C GLN A 74 25.691 4.847 20.681 1.00 12.09 C ATOM 713 O GLN A 74 26.549 4.673 21.547 1.00 12.56 O ATOM 714 CB GLN A 74 23.894 6.252 21.686 1.00 10.19 C ATOM 715 CG GLN A 74 24.084 7.423 20.737 1.00 15.20 C ATOM 716 CD GLN A 74 23.571 8.698 21.352 1.00 20.82 C ATOM 717 OE1 GLN A 74 22.407 8.782 21.780 1.00 23.10 O ATOM 718 NE2 GLN A 74 24.425 9.706 21.396 1.00 22.90 N ATOM 719 HE22 GLN A 74 25.389 9.587 21.025 1.00 0.00 H ATOM 720 HE21 GLN A 74 24.133 10.618 21.802 1.00 0.00 H ATOM 721 H GLN A 74 24.188 3.964 22.992 1.00 0.00 H ATOM 722 N SER A 75 25.986 4.980 19.396 1.00 14.20 N ATOM 723 CA SER A 75 27.380 4.883 18.971 1.00 11.94 C ATOM 724 C SER A 75 28.161 6.112 19.413 1.00 14.13 C ATOM 725 O SER A 75 27.661 7.230 19.373 1.00 15.03 O ATOM 726 CB SER A 75 27.464 4.706 17.451 1.00 14.15 C ATOM 727 OG SER A 75 26.892 5.811 16.791 1.00 13.30 O ATOM 728 HG SER A 75 27.379 6.634 17.046 1.00 0.00 H ATOM 729 H SER A 75 25.234 5.151 18.698 1.00 0.00 H ATOM 730 N TYR A 76 29.394 5.893 19.863 1.00 12.58 N ATOM 731 CA TYR A 76 30.243 6.998 20.283 1.00 15.07 C ATOM 732 C TYR A 76 30.664 7.831 19.071 1.00 17.73 C ATOM 733 O TYR A 76 30.678 9.064 19.125 1.00 18.28 O ATOM 734 CB TYR A 76 31.457 6.435 21.042 1.00 15.42 C ATOM 735 CG TYR A 76 31.120 5.888 22.415 1.00 14.69 C ATOM 736 CD1 TYR A 76 30.475 6.681 23.357 1.00 14.92 C ATOM 737 CD2 TYR A 76 31.451 4.596 22.779 1.00 14.68 C ATOM 738 CE1 TYR A 76 30.176 6.206 24.599 1.00 13.28 C ATOM 739 CE2 TYR A 76 31.151 4.112 24.039 1.00 14.98 C ATOM 740 CZ TYR A 76 30.508 4.916 24.939 1.00 11.76 C ATOM 741 OH TYR A 76 30.196 4.421 26.192 1.00 15.71 O ATOM 742 HH TYR A 76 29.737 5.123 26.718 1.00 0.00 H ATOM 743 H TYR A 76 29.756 4.919 19.915 1.00 0.00 H ATOM 744 N SER A 77 30.963 7.168 17.967 1.00 19.09 N ATOM 745 CA SER A 77 31.316 7.822 16.713 1.00 22.55 C ATOM 746 C SER A 77 30.087 8.016 15.839 1.00 23.52 C ATOM 747 O SER A 77 29.128 7.253 15.913 1.00 18.67 O ATOM 748 CB SER A 77 32.351 6.978 15.975 1.00 20.25 C ATOM 749 OG SER A 77 33.475 6.773 16.814 1.00 28.86 O ATOM 750 HG SER A 77 34.147 6.225 16.336 1.00 0.00 H ATOM 751 H SER A 77 30.945 6.129 17.995 1.00 0.00 H ATOM 752 N THR A 78 30.125 9.038 14.989 1.00 20.89 N ATOM 753 CA THR A 78 29.119 9.113 13.941 1.00 19.55 C ATOM 754 C THR A 78 29.366 8.013 12.919 1.00 20.30 C ATOM 755 O THR A 78 30.481 7.517 12.753 1.00 22.29 O ATOM 756 CB THR A 78 29.126 10.474 13.250 1.00 25.21 C ATOM 757 OG1 THR A 78 30.435 10.737 12.724 1.00 28.66 O ATOM 758 CG2 THR A 78 28.724 11.576 14.225 1.00 21.47 C ATOM 759 HG1 THR A 78 31.093 10.739 13.464 1.00 0.00 H ATOM 760 H THR A 78 30.860 9.769 15.072 1.00 0.00 H ATOM 761 N MET A 79 28.306 7.611 12.245 1.00 17.29 N ATOM 762 CA MET A 79 28.382 6.562 11.246 1.00 19.99 C ATOM 763 C MET A 79 27.700 7.037 9.981 1.00 20.23 C ATOM 764 O MET A 79 26.760 7.835 10.021 1.00 19.56 O ATOM 765 CB MET A 79 27.715 5.271 11.736 1.00 21.93 C ATOM 766 CG MET A 79 28.428 4.647 12.917 1.00 18.41 C ATOM 767 SD MET A 79 27.767 3.028 13.265 1.00 20.65 S ATOM 768 CE MET A 79 29.003 2.405 14.398 1.00 19.05 C ATOM 769 H MET A 79 27.387 8.060 12.436 1.00 0.00 H ATOM 770 N SER A 80 28.179 6.518 8.861 1.00 23.55 N ATOM 771 CA SER A 80 27.542 6.777 7.577 1.00 24.90 C ATOM 772 C SER A 80 26.264 5.946 7.480 1.00 21.09 C ATOM 773 O SER A 80 26.303 4.719 7.606 1.00 20.85 O ATOM 774 CB SER A 80 28.510 6.438 6.448 1.00 23.85 C ATOM 775 OG SER A 80 27.886 6.635 5.193 1.00 26.42 O ATOM 776 HG SER A 80 28.524 6.412 4.470 1.00 0.00 H ATOM 777 H SER A 80 29.025 5.915 8.899 1.00 0.00 H ATOM 778 N ILE A 81 25.130 6.618 7.280 1.00 19.79 N ATOM 779 CA ILE A 81 23.825 5.973 7.219 1.00 19.91 C ATOM 780 C ILE A 81 23.045 6.523 6.029 1.00 25.71 C ATOM 781 O ILE A 81 23.388 7.552 5.449 1.00 25.21 O ATOM 782 CB ILE A 81 23.021 6.177 8.520 1.00 21.64 C ATOM 783 CG1 ILE A 81 22.657 7.667 8.724 1.00 24.40 C ATOM 784 CG2 ILE A 81 23.809 5.598 9.694 1.00 20.72 C ATOM 785 CD1 ILE A 81 21.613 7.922 9.798 1.00 25.48 C ATOM 786 H ILE A 81 25.179 7.650 7.162 1.00 0.00 H ATOM 787 N THR A 82 21.964 5.830 5.687 1.00 22.52 N ATOM 788 CA THR A 82 21.002 6.323 4.708 1.00 22.35 C ATOM 789 C THR A 82 19.599 6.128 5.255 1.00 24.45 C ATOM 790 O THR A 82 19.215 5.007 5.602 1.00 23.63 O ATOM 791 CB THR A 82 21.143 5.606 3.360 1.00 25.36 C ATOM 792 OG1 THR A 82 22.476 5.784 2.842 1.00 24.11 O ATOM 793 CG2 THR A 82 20.117 6.183 2.389 1.00 26.45 C ATOM 794 HG1 THR A 82 23.131 5.406 3.482 1.00 0.00 H ATOM 795 H THR A 82 21.798 4.905 6.132 1.00 0.00 H ATOM 796 N ASP A 83 18.829 7.212 5.321 1.00 19.05 N ATOM 797 CA ASP A 83 17.436 7.142 5.734 1.00 20.55 C ATOM 798 C ASP A 83 16.562 6.979 4.500 1.00 26.03 C ATOM 799 O ASP A 83 16.739 7.701 3.507 1.00 23.06 O ATOM 800 CB ASP A 83 17.008 8.394 6.493 1.00 25.41 C ATOM 801 CG ASP A 83 17.508 8.416 7.924 1.00 33.89 C ATOM 802 OD1 ASP A 83 17.603 7.338 8.573 1.00 31.03 O ATOM 803 OD2 ASP A 83 17.808 9.530 8.399 1.00 34.76 O ATOM 804 H ASP A 83 19.235 8.136 5.070 1.00 0.00 H ATOM 805 N CYS A 84 15.626 6.035 4.564 1.00 20.45 N ATOM 806 CA CYS A 84 14.633 5.834 3.525 1.00 22.57 C ATOM 807 C CYS A 84 13.258 6.176 4.086 1.00 26.64 C ATOM 808 O CYS A 84 12.852 5.642 5.125 1.00 24.96 O ATOM 809 CB CYS A 84 14.675 4.395 3.019 1.00 23.87 C ATOM 810 SG CYS A 84 16.285 3.905 2.395 1.00 22.69 S ATOM 811 H CYS A 84 15.605 5.413 5.397 1.00 0.00 H ATOM 812 N ARG A 85 12.539 7.065 3.401 1.00 23.39 N ATOM 813 CA ARG A 85 11.237 7.535 3.868 1.00 29.53 C ATOM 814 C ARG A 85 10.242 7.437 2.726 1.00 33.06 C ATOM 815 O ARG A 85 10.462 8.014 1.654 1.00 31.37 O ATOM 816 CB ARG A 85 11.316 8.972 4.389 1.00 32.10 C ATOM 817 CG ARG A 85 9.962 9.617 4.591 1.00 36.33 C ATOM 818 CD ARG A 85 10.041 10.795 5.541 1.00 39.30 C ATOM 819 NE ARG A 85 9.797 10.413 6.931 1.00 46.95 N ATOM 820 CZ ARG A 85 10.748 10.206 7.840 1.00 39.15 C ATOM 821 NH1 ARG A 85 12.030 10.333 7.517 1.00 44.99 N ATOM 822 NH2 ARG A 85 10.412 9.869 9.078 1.00 43.44 N ATOM 823 HE ARG A 85 8.809 10.294 7.232 1.00 0.00 H ATOM 824 HH12 ARG A 85 12.766 10.169 8.234 1.00 0.00 H ATOM 825 HH11 ARG A 85 12.298 10.596 6.547 1.00 0.00 H ATOM 826 HH22 ARG A 85 11.151 9.706 9.791 1.00 0.00 H ATOM 827 HH21 ARG A 85 9.409 9.767 9.335 1.00 0.00 H ATOM 828 H ARG A 85 12.917 7.436 2.506 1.00 0.00 H ATOM 829 N GLU A 86 9.151 6.711 2.956 1.00 33.55 N ATOM 830 CA GLU A 86 8.148 6.533 1.917 1.00 34.62 C ATOM 831 C GLU A 86 7.562 7.880 1.498 1.00 35.02 C ATOM 832 O GLU A 86 7.334 8.761 2.331 1.00 36.08 O ATOM 833 CB GLU A 86 7.043 5.596 2.412 1.00 34.19 C ATOM 834 CG GLU A 86 6.072 5.219 1.326 1.00 41.52 C ATOM 835 CD GLU A 86 4.960 4.313 1.806 1.00 40.25 C ATOM 836 OE1 GLU A 86 4.381 3.603 0.960 1.00 42.10 O ATOM 837 OE2 GLU A 86 4.672 4.314 3.025 1.00 43.77 O ATOM 838 H GLU A 86 9.014 6.267 3.886 1.00 0.00 H ATOM 839 N THR A 87 7.354 8.050 0.192 1.00 37.64 N ATOM 840 CA THR A 87 6.754 9.270 -0.338 1.00 39.98 C ATOM 841 C THR A 87 5.229 9.203 -0.253 1.00 42.23 C ATOM 842 O THR A 87 4.638 8.168 0.069 1.00 43.65 O ATOM 843 CB THR A 87 7.172 9.498 -1.793 1.00 38.78 C ATOM 844 OG1 THR A 87 6.693 8.416 -2.607 1.00 35.62 O ATOM 845 CG2 THR A 87 8.691 9.598 -1.909 1.00 35.66 C ATOM 846 HG1 THR A 87 7.080 7.564 -2.283 1.00 0.00 H ATOM 847 H THR A 87 7.627 7.293 -0.467 1.00 0.00 H ATOM 848 N GLY A 88 4.588 10.330 -0.570 1.00 41.42 N ATOM 849 CA GLY A 88 3.132 10.358 -0.608 1.00 45.58 C ATOM 850 C GLY A 88 2.563 9.686 -1.845 1.00 46.20 C ATOM 851 O GLY A 88 1.518 9.032 -1.781 1.00 52.03 O ATOM 852 H GLY A 88 5.129 11.190 -0.790 1.00 0.00 H ATOM 853 N SER A 89 3.241 9.833 -2.986 1.00 47.15 N ATOM 854 CA SER A 89 2.822 9.158 -4.211 1.00 46.58 C ATOM 855 C SER A 89 3.107 7.660 -4.183 1.00 49.48 C ATOM 856 O SER A 89 2.692 6.938 -5.100 1.00 48.60 O ATOM 857 CB SER A 89 3.514 9.798 -5.415 1.00 49.79 C ATOM 858 OG SER A 89 4.828 9.288 -5.573 1.00 59.36 O ATOM 859 HG SER A 89 4.786 8.309 -5.712 1.00 0.00 H ATOM 860 H SER A 89 4.085 10.441 -3.002 1.00 0.00 H ATOM 861 N SER A 90 3.816 7.185 -3.168 1.00 45.96 N ATOM 862 CA SER A 90 4.071 5.761 -3.016 1.00 45.30 C ATOM 863 C SER A 90 2.776 5.029 -2.686 1.00 45.63 C ATOM 864 O SER A 90 2.144 5.309 -1.662 1.00 45.06 O ATOM 865 CB SER A 90 5.100 5.541 -1.912 1.00 45.13 C ATOM 866 OG SER A 90 5.382 4.165 -1.722 1.00 45.56 O ATOM 867 HG SER A 90 4.550 3.690 -1.471 1.00 0.00 H ATOM 868 H SER A 90 4.199 7.847 -2.463 1.00 0.00 H ATOM 869 N LYS A 91 2.388 4.086 -3.543 1.00 45.70 N ATOM 870 CA LYS A 91 1.285 3.178 -3.255 1.00 48.67 C ATOM 871 C LYS A 91 1.777 1.757 -3.468 1.00 44.05 C ATOM 872 O LYS A 91 2.221 1.411 -4.567 1.00 48.23 O ATOM 873 CB LYS A 91 0.053 3.444 -4.137 1.00 46.57 C ATOM 874 CG LYS A 91 -0.370 4.903 -4.343 1.00 46.87 C ATOM 875 CD LYS A 91 -0.644 5.678 -3.052 1.00 44.79 C ATOM 876 CE LYS A 91 -1.510 4.929 -2.050 1.00 48.29 C ATOM 877 NZ LYS A 91 -1.916 5.829 -0.911 1.00 46.91 N ATOM 878 HZ1 LYS A 91 -1.065 6.176 -0.424 1.00 0.00 H ATOM 879 HZ2 LYS A 91 -2.457 6.635 -1.284 1.00 0.00 H ATOM 880 HZ3 LYS A 91 -2.506 5.294 -0.242 1.00 0.00 H ATOM 881 H LYS A 91 2.890 3.994 -4.449 1.00 0.00 H ATOM 882 N TYR A 92 1.697 0.946 -2.423 1.00 46.51 N ATOM 883 CA TYR A 92 2.022 -0.466 -2.543 1.00 50.04 C ATOM 884 C TYR A 92 1.225 -1.082 -3.693 1.00 51.11 C ATOM 885 O TYR A 92 0.036 -0.775 -3.850 1.00 53.94 O ATOM 886 CB TYR A 92 1.706 -1.192 -1.232 1.00 49.24 C ATOM 887 CG TYR A 92 1.848 -2.687 -1.339 1.00 52.23 C ATOM 888 CD1 TYR A 92 3.088 -3.295 -1.203 1.00 50.34 C ATOM 889 CD2 TYR A 92 0.745 -3.493 -1.595 1.00 53.76 C ATOM 890 CE1 TYR A 92 3.231 -4.661 -1.314 1.00 51.84 C ATOM 891 CE2 TYR A 92 0.877 -4.862 -1.704 1.00 54.58 C ATOM 892 CZ TYR A 92 2.124 -5.444 -1.559 1.00 56.46 C ATOM 893 OH TYR A 92 2.269 -6.812 -1.667 1.00 52.92 O ATOM 894 HH TYR A 92 3.220 -7.053 -1.537 1.00 0.00 H ATOM 895 H TYR A 92 1.397 1.326 -1.502 1.00 0.00 H ATOM 896 N PRO A 93 1.831 -1.954 -4.513 1.00 50.76 N ATOM 897 CA PRO A 93 3.190 -2.501 -4.477 1.00 51.61 C ATOM 898 C PRO A 93 4.218 -1.687 -5.265 1.00 52.24 C ATOM 899 O PRO A 93 5.235 -2.234 -5.693 1.00 51.23 O ATOM 900 CB PRO A 93 3.005 -3.868 -5.121 1.00 52.89 C ATOM 901 CG PRO A 93 2.020 -3.580 -6.206 1.00 50.95 C ATOM 902 CD PRO A 93 1.068 -2.531 -5.633 1.00 48.64 C ATOM 903 N ASN A 94 3.951 -0.404 -5.475 1.00 50.62 N ATOM 904 CA ASN A 94 4.931 0.500 -6.058 1.00 51.03 C ATOM 905 C ASN A 94 5.474 1.402 -4.955 1.00 48.18 C ATOM 906 O ASN A 94 5.241 2.612 -4.916 1.00 46.61 O ATOM 907 CB ASN A 94 4.318 1.293 -7.197 1.00 50.07 C ATOM 908 CG ASN A 94 4.402 0.560 -8.510 1.00 56.58 C ATOM 909 OD1 ASN A 94 3.530 -0.245 -8.840 1.00 59.75 O ATOM 910 ND2 ASN A 94 5.466 0.818 -9.266 1.00 60.70 N ATOM 911 HD22 ASN A 94 6.177 1.506 -8.946 1.00 0.00 H ATOM 912 HD21 ASN A 94 5.587 0.331 -10.177 1.00 0.00 H ATOM 913 H ASN A 94 3.014 -0.034 -5.215 1.00 0.00 H ATOM 914 N CYS A 95 6.202 0.786 -4.034 1.00 47.16 N ATOM 915 CA CYS A 95 6.805 1.542 -2.953 1.00 41.81 C ATOM 916 C CYS A 95 7.900 2.442 -3.510 1.00 41.00 C ATOM 917 O CYS A 95 8.808 1.981 -4.211 1.00 43.09 O ATOM 918 CB CYS A 95 7.349 0.586 -1.896 1.00 40.65 C ATOM 919 SG CYS A 95 6.075 -0.574 -1.276 1.00 41.77 S ATOM 920 H CYS A 95 6.341 -0.243 -4.087 1.00 0.00 H ATOM 921 N ALA A 96 7.793 3.735 -3.227 1.00 41.71 N ATOM 922 CA ALA A 96 8.799 4.706 -3.621 1.00 36.62 C ATOM 923 C ALA A 96 9.256 5.461 -2.381 1.00 30.24 C ATOM 924 O ALA A 96 8.487 5.667 -1.435 1.00 34.73 O ATOM 925 CB ALA A 96 8.265 5.674 -4.702 1.00 34.79 C ATOM 926 H ALA A 96 6.957 4.065 -2.703 1.00 0.00 H ATOM 927 N TYR A 97 10.526 5.863 -2.392 1.00 27.11 N ATOM 928 CA TYR A 97 11.187 6.331 -1.189 1.00 26.91 C ATOM 929 C TYR A 97 12.079 7.519 -1.503 1.00 30.76 C ATOM 930 O TYR A 97 12.683 7.600 -2.577 1.00 29.05 O ATOM 931 CB TYR A 97 12.037 5.225 -0.546 1.00 28.61 C ATOM 932 CG TYR A 97 11.226 4.117 0.071 1.00 25.34 C ATOM 933 CD1 TYR A 97 10.773 4.216 1.380 1.00 22.61 C ATOM 934 CD2 TYR A 97 10.900 2.982 -0.664 1.00 30.70 C ATOM 935 CE1 TYR A 97 10.015 3.223 1.945 1.00 24.74 C ATOM 936 CE2 TYR A 97 10.157 1.976 -0.104 1.00 28.48 C ATOM 937 CZ TYR A 97 9.713 2.102 1.199 1.00 30.29 C ATOM 938 OH TYR A 97 8.959 1.097 1.761 1.00 32.78 O ATOM 939 HH TYR A 97 8.725 1.342 2.691 1.00 0.00 H ATOM 940 H TYR A 97 11.057 5.841 -3.286 1.00 0.00 H ATOM 941 N LYS A 98 12.149 8.438 -0.546 1.00 32.89 N ATOM 942 CA LYS A 98 13.143 9.501 -0.541 1.00 32.82 C ATOM 943 C LYS A 98 14.408 8.991 0.134 1.00 29.99 C ATOM 944 O LYS A 98 14.338 8.338 1.178 1.00 30.84 O ATOM 945 CB LYS A 98 12.611 10.727 0.203 1.00 31.18 C ATOM 946 CG LYS A 98 13.655 11.800 0.445 1.00 35.97 C ATOM 947 CD LYS A 98 13.385 12.571 1.744 1.00 41.25 C ATOM 948 CE LYS A 98 13.139 11.649 2.960 1.00 42.43 C ATOM 949 NZ LYS A 98 14.315 10.818 3.435 1.00 34.64 N ATOM 950 HZ1 LYS A 98 14.630 10.193 2.666 1.00 0.00 H ATOM 951 HZ2 LYS A 98 15.094 11.449 3.712 1.00 0.00 H ATOM 952 HZ3 LYS A 98 14.025 10.244 4.253 1.00 0.00 H ATOM 953 H LYS A 98 11.463 8.396 0.234 1.00 0.00 H ATOM 954 N THR A 99 15.562 9.296 -0.463 1.00 27.02 N ATOM 955 CA THR A 99 16.864 8.815 -0.005 1.00 28.28 C ATOM 956 C THR A 99 17.654 9.972 0.595 1.00 35.38 C ATOM 957 O THR A 99 17.965 10.938 -0.105 1.00 34.50 O ATOM 958 CB THR A 99 17.642 8.196 -1.166 1.00 27.03 C ATOM 959 OG1 THR A 99 16.991 7.001 -1.618 1.00 26.37 O ATOM 960 CG2 THR A 99 19.078 7.878 -0.762 1.00 28.27 C ATOM 961 HG1 THR A 99 16.946 6.350 -0.874 1.00 0.00 H ATOM 962 H THR A 99 15.533 9.911 -1.301 1.00 0.00 H ATOM 963 N THR A 100 17.995 9.873 1.881 1.00 28.84 N ATOM 964 CA THR A 100 18.744 10.923 2.564 1.00 29.23 C ATOM 965 C THR A 100 19.997 10.327 3.185 1.00 32.05 C ATOM 966 O THR A 100 19.905 9.482 4.077 1.00 27.92 O ATOM 967 CB THR A 100 17.914 11.604 3.653 1.00 28.67 C ATOM 968 OG1 THR A 100 16.645 12.015 3.131 1.00 33.75 O ATOM 969 CG2 THR A 100 18.677 12.818 4.222 1.00 27.72 C ATOM 970 HG1 THR A 100 16.121 12.453 3.848 1.00 0.00 H ATOM 971 H THR A 100 17.719 9.023 2.412 1.00 0.00 H ATOM 972 N GLN A 101 21.154 10.788 2.738 1.00 29.80 N ATOM 973 CA GLN A 101 22.428 10.397 3.314 1.00 30.04 C ATOM 974 C GLN A 101 22.736 11.285 4.511 1.00 28.82 C ATOM 975 O GLN A 101 22.337 12.452 4.553 1.00 29.27 O ATOM 976 CB GLN A 101 23.540 10.511 2.270 1.00 32.22 C ATOM 977 CG GLN A 101 24.909 10.214 2.809 1.00 35.87 C ATOM 978 CD GLN A 101 25.007 8.809 3.356 1.00 31.57 C ATOM 979 OE1 GLN A 101 24.307 7.905 2.893 1.00 35.37 O ATOM 980 NE2 GLN A 101 25.878 8.612 4.338 1.00 32.20 N ATOM 981 HE22 GLN A 101 26.447 9.406 4.696 1.00 0.00 H ATOM 982 HE21 GLN A 101 25.992 7.664 4.750 1.00 0.00 H ATOM 983 H GLN A 101 21.151 11.457 1.942 1.00 0.00 H ATOM 984 N ALA A 102 23.426 10.715 5.501 1.00 25.48 N ATOM 985 CA ALA A 102 23.788 11.469 6.695 1.00 28.80 C ATOM 986 C ALA A 102 24.901 10.744 7.436 1.00 21.78 C ATOM 987 O ALA A 102 25.157 9.557 7.218 1.00 23.44 O ATOM 988 CB ALA A 102 22.578 11.678 7.611 1.00 32.28 C ATOM 989 H ALA A 102 23.710 9.718 5.419 1.00 0.00 H ATOM 990 N ASN A 103 25.578 11.484 8.303 1.00 25.20 N ATOM 991 CA ASN A 103 26.534 10.903 9.234 1.00 26.73 C ATOM 992 C ASN A 103 26.021 11.249 10.615 1.00 25.13 C ATOM 993 O ASN A 103 25.947 12.429 10.976 1.00 25.62 O ATOM 994 CB ASN A 103 27.963 11.401 8.984 1.00 27.77 C ATOM 995 CG ASN A 103 28.527 10.856 7.678 1.00 25.94 C ATOM 996 OD1 ASN A 103 28.010 11.166 6.604 1.00 40.90 O ATOM 997 ND2 ASN A 103 29.540 10.003 7.765 1.00 32.11 N ATOM 998 HD22 ASN A 103 29.946 9.770 8.694 1.00 0.00 H ATOM 999 HD21 ASN A 103 29.928 9.567 6.904 1.00 0.00 H ATOM 1000 H ASN A 103 25.421 12.512 8.318 1.00 0.00 H ATOM 1001 N LYS A 104 25.605 10.219 11.356 1.00 20.56 N ATOM 1002 CA LYS A 104 24.912 10.437 12.616 1.00 19.11 C ATOM 1003 C LYS A 104 25.288 9.329 13.585 1.00 15.81 C ATOM 1004 O LYS A 104 25.790 8.275 13.198 1.00 18.00 O ATOM 1005 CB LYS A 104 23.387 10.471 12.425 1.00 23.92 C ATOM 1006 CG LYS A 104 22.869 11.682 11.643 1.00 20.97 C ATOM 1007 CD LYS A 104 21.373 11.845 11.823 1.00 29.26 C ATOM 1008 CE LYS A 104 20.851 12.974 10.958 1.00 36.42 C ATOM 1009 NZ LYS A 104 19.367 13.023 10.979 1.00 36.63 N ATOM 1010 HZ1 LYS A 104 18.987 12.125 10.619 1.00 0.00 H ATOM 1011 HZ2 LYS A 104 19.040 13.173 11.955 1.00 0.00 H ATOM 1012 HZ3 LYS A 104 19.039 13.806 10.378 1.00 0.00 H ATOM 1013 H LYS A 104 25.779 9.248 11.028 1.00 0.00 H ATOM 1014 N HIS A 105 25.066 9.595 14.865 1.00 17.75 N ATOM 1015 CA HIS A 105 25.182 8.540 15.866 1.00 15.90 C ATOM 1016 C HIS A 105 23.971 7.638 15.732 1.00 15.02 C ATOM 1017 O HIS A 105 22.852 8.130 15.586 1.00 18.70 O ATOM 1018 CB HIS A 105 25.243 9.139 17.278 1.00 16.77 C ATOM 1019 CG HIS A 105 26.362 10.120 17.462 1.00 17.75 C ATOM 1020 ND1 HIS A 105 27.642 9.730 17.794 1.00 22.85 N ATOM 1021 CD2 HIS A 105 26.408 11.464 17.298 1.00 21.28 C ATOM 1022 CE1 HIS A 105 28.426 10.796 17.849 1.00 19.83 C ATOM 1023 NE2 HIS A 105 27.703 11.858 17.547 1.00 22.09 N ATOM 1024 H HIS A 105 24.808 10.559 15.156 1.00 0.00 H ATOM 1025 N ILE A 106 24.188 6.322 15.717 1.00 13.97 N ATOM 1026 CA ILE A 106 23.046 5.412 15.618 1.00 14.47 C ATOM 1027 C ILE A 106 22.676 4.878 16.989 1.00 12.23 C ATOM 1028 O ILE A 106 23.502 4.827 17.911 1.00 12.55 O ATOM 1029 CB ILE A 106 23.315 4.263 14.634 1.00 13.22 C ATOM 1030 CG1 ILE A 106 24.415 3.317 15.147 1.00 15.41 C ATOM 1031 CG2 ILE A 106 23.605 4.853 13.297 1.00 16.02 C ATOM 1032 CD1 ILE A 106 24.440 1.970 14.370 1.00 14.18 C ATOM 1033 H ILE A 106 25.156 5.947 15.775 1.00 0.00 H ATOM 1034 N ILE A 107 21.412 4.486 17.135 1.00 9.07 N ATOM 1035 CA ILE A 107 20.953 3.913 18.399 1.00 8.35 C ATOM 1036 C ILE A 107 20.286 2.592 18.059 1.00 9.85 C ATOM 1037 O ILE A 107 19.311 2.571 17.309 1.00 13.12 O ATOM 1038 CB ILE A 107 19.981 4.826 19.175 1.00 12.58 C ATOM 1039 CG1 ILE A 107 20.639 6.185 19.529 1.00 13.61 C ATOM 1040 CG2 ILE A 107 19.518 4.110 20.427 1.00 13.99 C ATOM 1041 CD1 ILE A 107 19.667 7.171 20.195 1.00 15.75 C ATOM 1042 H ILE A 107 20.746 4.588 16.343 1.00 0.00 H ATOM 1043 N VAL A 108 20.852 1.491 18.555 1.00 11.80 N ATOM 1044 CA VAL A 108 20.312 0.164 18.288 1.00 9.72 C ATOM 1045 C VAL A 108 19.951 -0.495 19.614 1.00 12.81 C ATOM 1046 O VAL A 108 20.545 -0.218 20.658 1.00 12.54 O ATOM 1047 CB VAL A 108 21.321 -0.726 17.514 1.00 9.53 C ATOM 1048 CG1 VAL A 108 21.629 -0.102 16.150 1.00 13.51 C ATOM 1049 CG2 VAL A 108 22.603 -0.895 18.341 1.00 13.27 C ATOM 1050 H VAL A 108 21.701 1.582 19.148 1.00 0.00 H ATOM 1051 N ALA A 109 18.935 -1.355 19.570 1.00 8.76 N ATOM 1052 CA ALA A 109 18.607 -2.227 20.698 1.00 10.08 C ATOM 1053 C ALA A 109 19.285 -3.568 20.483 1.00 14.13 C ATOM 1054 O ALA A 109 19.300 -4.080 19.368 1.00 12.86 O ATOM 1055 CB ALA A 109 17.097 -2.438 20.842 1.00 14.02 C ATOM 1056 H ALA A 109 18.357 -1.408 18.707 1.00 0.00 H ATOM 1057 N CYS A 110 19.837 -4.127 21.559 1.00 11.12 N ATOM 1058 CA CYS A 110 20.589 -5.370 21.500 1.00 13.62 C ATOM 1059 C CYS A 110 19.962 -6.408 22.419 1.00 13.16 C ATOM 1060 O CYS A 110 19.368 -6.091 23.456 1.00 11.84 O ATOM 1061 CB CYS A 110 22.055 -5.148 21.890 1.00 11.33 C ATOM 1062 SG CYS A 110 22.851 -3.845 20.879 1.00 14.25 S ATOM 1063 H CYS A 110 19.725 -3.655 22.479 1.00 0.00 H ATOM 1064 N GLU A 111 20.139 -7.666 22.030 1.00 11.53 N ATOM 1065 CA GLU A 111 19.551 -8.793 22.728 1.00 10.58 C ATOM 1066 C GLU A 111 20.417 -10.011 22.478 1.00 14.98 C ATOM 1067 O GLU A 111 21.101 -10.117 21.459 1.00 15.43 O ATOM 1068 CB GLU A 111 18.148 -9.131 22.220 1.00 12.27 C ATOM 1069 CG GLU A 111 17.087 -8.114 22.613 1.00 12.56 C ATOM 1070 CD GLU A 111 15.660 -8.568 22.308 1.00 19.97 C ATOM 1071 OE1 GLU A 111 15.439 -9.304 21.312 1.00 26.55 O ATOM 1072 OE2 GLU A 111 14.763 -8.168 23.075 1.00 24.10 O ATOM 1073 H GLU A 111 20.724 -7.850 21.190 1.00 0.00 H ATOM 1074 N GLY A 112 20.296 -10.970 23.367 1.00 15.26 N ATOM 1075 CA GLY A 112 20.781 -12.301 23.077 1.00 14.87 C ATOM 1076 C GLY A 112 22.127 -12.579 23.700 1.00 16.41 C ATOM 1077 O GLY A 112 22.776 -11.738 24.330 1.00 15.19 O ATOM 1078 H GLY A 112 19.849 -10.771 24.285 1.00 0.00 H ATOM 1079 N ASN A 113 22.540 -13.827 23.508 1.00 19.73 N ATOM 1080 CA ASN A 113 23.879 -14.273 23.871 1.00 19.01 C ATOM 1081 C ASN A 113 24.377 -15.074 22.676 1.00 22.21 C ATOM 1082 O ASN A 113 23.971 -16.229 22.487 1.00 23.13 O ATOM 1083 CB ASN A 113 23.871 -15.107 25.147 1.00 19.59 C ATOM 1084 CG ASN A 113 25.268 -15.422 25.615 1.00 25.49 C ATOM 1085 OD1 ASN A 113 26.225 -14.963 25.012 1.00 21.73 O ATOM 1086 ND2 ASN A 113 25.393 -16.183 26.700 1.00 32.59 N ATOM 1087 HD22 ASN A 113 24.546 -16.550 27.178 1.00 0.00 H ATOM 1088 HD21 ASN A 113 26.338 -16.410 27.070 1.00 0.00 H ATOM 1089 H ASN A 113 21.883 -14.512 23.083 1.00 0.00 H ATOM 1090 N PRO A 114 25.242 -14.495 21.839 1.00 18.88 N ATOM 1091 CA PRO A 114 25.920 -13.197 21.967 1.00 17.23 C ATOM 1092 C PRO A 114 24.983 -11.973 21.831 1.00 14.20 C ATOM 1093 O PRO A 114 23.955 -12.030 21.169 1.00 17.48 O ATOM 1094 CB PRO A 114 26.919 -13.210 20.814 1.00 22.33 C ATOM 1095 CG PRO A 114 26.251 -14.084 19.790 1.00 25.43 C ATOM 1096 CD PRO A 114 25.531 -15.149 20.554 1.00 26.11 C ATOM 1097 N TYR A 115 25.383 -10.897 22.500 1.00 14.44 N ATOM 1098 CA TYR A 115 24.587 -9.667 22.594 1.00 15.10 C ATOM 1099 C TYR A 115 24.793 -8.856 21.328 1.00 14.90 C ATOM 1100 O TYR A 115 25.860 -8.271 21.130 1.00 17.62 O ATOM 1101 CB TYR A 115 25.023 -8.865 23.812 1.00 13.95 C ATOM 1102 CG TYR A 115 24.034 -7.855 24.365 1.00 13.10 C ATOM 1103 CD1 TYR A 115 22.753 -8.243 24.755 1.00 12.66 C ATOM 1104 CD2 TYR A 115 24.408 -6.519 24.549 1.00 11.94 C ATOM 1105 CE1 TYR A 115 21.860 -7.319 25.315 1.00 14.99 C ATOM 1106 CE2 TYR A 115 23.524 -5.612 25.117 1.00 13.03 C ATOM 1107 CZ TYR A 115 22.266 -6.016 25.493 1.00 14.62 C ATOM 1108 OH TYR A 115 21.388 -5.100 26.068 1.00 13.54 O ATOM 1109 HH TYR A 115 21.786 -4.741 26.901 1.00 0.00 H ATOM 1110 H TYR A 115 26.305 -10.928 22.980 1.00 0.00 H ATOM 1111 N VAL A 116 23.775 -8.799 20.476 1.00 15.01 N ATOM 1112 CA VAL A 116 23.936 -8.270 19.122 1.00 12.81 C ATOM 1113 C VAL A 116 22.761 -7.373 18.795 1.00 13.70 C ATOM 1114 O VAL A 116 21.689 -7.479 19.404 1.00 13.12 O ATOM 1115 CB VAL A 116 24.036 -9.394 18.071 1.00 15.37 C ATOM 1116 CG1 VAL A 116 25.385 -10.110 18.228 1.00 19.66 C ATOM 1117 CG2 VAL A 116 22.847 -10.340 18.194 1.00 14.57 C ATOM 1118 H VAL A 116 22.840 -9.139 20.780 1.00 0.00 H ATOM 1119 N PRO A 117 22.916 -6.506 17.788 1.00 14.50 N ATOM 1120 CA PRO A 117 21.809 -5.610 17.421 1.00 12.44 C ATOM 1121 C PRO A 117 20.627 -6.381 16.845 1.00 13.79 C ATOM 1122 O PRO A 117 20.799 -7.256 15.982 1.00 16.01 O ATOM 1123 CB PRO A 117 22.440 -4.688 16.365 1.00 15.78 C ATOM 1124 CG PRO A 117 23.903 -4.723 16.680 1.00 17.27 C ATOM 1125 CD PRO A 117 24.161 -6.146 17.082 1.00 14.52 C ATOM 1126 N VAL A 118 19.419 -6.014 17.281 1.00 12.97 N ATOM 1127 CA VAL A 118 18.208 -6.670 16.790 1.00 14.25 C ATOM 1128 C VAL A 118 17.168 -5.649 16.368 1.00 16.81 C ATOM 1129 O VAL A 118 16.185 -5.998 15.713 1.00 18.45 O ATOM 1130 CB VAL A 118 17.600 -7.626 17.838 1.00 17.15 C ATOM 1131 CG1 VAL A 118 18.566 -8.739 18.201 1.00 16.98 C ATOM 1132 CG2 VAL A 118 17.156 -6.869 19.102 1.00 15.17 C ATOM 1133 H VAL A 118 19.338 -5.249 17.981 1.00 0.00 H ATOM 1134 N HIS A 119 17.360 -4.385 16.725 1.00 12.49 N ATOM 1135 CA HIS A 119 16.384 -3.377 16.308 1.00 15.72 C ATOM 1136 C HIS A 119 17.131 -2.066 16.096 1.00 13.91 C ATOM 1137 O HIS A 119 18.055 -1.757 16.846 1.00 15.77 O ATOM 1138 CB HIS A 119 15.272 -3.261 17.364 1.00 16.79 C ATOM 1139 CG HIS A 119 14.440 -2.014 17.275 1.00 16.14 C ATOM 1140 ND1 HIS A 119 13.425 -1.845 16.354 1.00 23.63 N ATOM 1141 CD2 HIS A 119 14.438 -0.895 18.044 1.00 17.39 C ATOM 1142 CE1 HIS A 119 12.859 -0.663 16.532 1.00 21.23 C ATOM 1143 NE2 HIS A 119 13.453 -0.068 17.555 1.00 20.14 N ATOM 1144 H HIS A 119 18.190 -4.115 17.291 1.00 0.00 H ATOM 1145 N PHE A 120 16.766 -1.316 15.055 1.00 11.27 N ATOM 1146 CA PHE A 120 17.345 0.006 14.844 1.00 12.03 C ATOM 1147 C PHE A 120 16.396 1.028 15.446 1.00 14.93 C ATOM 1148 O PHE A 120 15.259 1.143 15.000 1.00 13.66 O ATOM 1149 CB PHE A 120 17.550 0.300 13.357 1.00 13.02 C ATOM 1150 CG PHE A 120 18.341 1.542 13.118 1.00 11.93 C ATOM 1151 CD1 PHE A 120 17.737 2.792 13.216 1.00 15.59 C ATOM 1152 CD2 PHE A 120 19.690 1.455 12.857 1.00 14.74 C ATOM 1153 CE1 PHE A 120 18.490 3.953 13.033 1.00 13.89 C ATOM 1154 CE2 PHE A 120 20.453 2.619 12.678 1.00 16.76 C ATOM 1155 CZ PHE A 120 19.836 3.852 12.748 1.00 15.82 C ATOM 1156 H PHE A 120 16.059 -1.679 14.384 1.00 0.00 H ATOM 1157 N ASP A 121 16.846 1.760 16.465 1.00 13.33 N ATOM 1158 CA ASP A 121 15.907 2.580 17.222 1.00 13.29 C ATOM 1159 C ASP A 121 15.865 4.022 16.763 1.00 11.64 C ATOM 1160 O ASP A 121 14.783 4.620 16.733 1.00 15.49 O ATOM 1161 CB ASP A 121 16.239 2.544 18.717 1.00 13.22 C ATOM 1162 CG ASP A 121 14.994 2.699 19.605 1.00 17.87 C ATOM 1163 OD1 ASP A 121 13.982 1.993 19.361 1.00 17.54 O ATOM 1164 OD2 ASP A 121 15.043 3.500 20.570 1.00 13.95 O ATOM 1165 H ASP A 121 17.855 1.747 16.717 1.00 0.00 H ATOM 1166 N ALA A 122 17.010 4.621 16.489 1.00 14.66 N ATOM 1167 CA ALA A 122 17.039 6.041 16.173 1.00 18.49 C ATOM 1168 C ALA A 122 18.418 6.400 15.645 1.00 16.89 C ATOM 1169 O ALA A 122 19.366 5.621 15.728 1.00 13.48 O ATOM 1170 CB ALA A 122 16.697 6.875 17.406 1.00 15.89 C ATOM 1171 H ALA A 122 17.895 4.075 16.499 1.00 0.00 H ATOM 1172 N SER A 123 18.514 7.581 15.059 1.00 19.36 N ATOM 1173 CA SER A 123 19.811 8.194 14.818 1.00 20.98 C ATOM 1174 C SER A 123 19.732 9.615 15.351 1.00 21.63 C ATOM 1175 O SER A 123 18.672 10.240 15.312 1.00 24.45 O ATOM 1176 CB SER A 123 20.201 8.202 13.330 1.00 21.14 C ATOM 1177 OG SER A 123 19.296 9.010 12.597 1.00 27.38 O ATOM 1178 HG SER A 123 18.380 8.647 12.693 1.00 0.00 H ATOM 1179 H SER A 123 17.649 8.079 14.766 1.00 0.00 H ATOM 1180 N VAL A 124 20.842 10.102 15.893 1.00 21.28 N ATOM 1181 CA VAL A 124 20.856 11.433 16.492 1.00 22.58 C ATOM 1182 C VAL A 124 22.136 12.178 16.159 1.00 27.14 C ATOM 1183 O VAL A 124 23.119 11.613 15.668 1.00 26.20 O ATOM 1184 CB VAL A 124 20.678 11.371 18.020 1.00 25.47 C ATOM 1185 CG1 VAL A 124 19.319 10.790 18.385 1.00 27.84 C ATOM 1186 CG2 VAL A 124 21.799 10.569 18.651 1.00 25.15 C ATOM 1187 OXT VAL A 124 22.195 13.385 16.409 1.00 30.37 O ATOM 1188 H VAL A 124 21.710 9.529 15.891 1.00 0.00 H TER 1189 VAL A 124 HETATM 1190 O HOH 1 32.461 -2.152 21.747 1.00 29.27 O HETATM 1191 O HOH 2 26.736 3.237 -4.220 1.00 45.64 O HETATM 1192 O HOH 3 -1.586 0.263 -2.619 1.00 44.17 O HETATM 1193 O HOH 4 24.568 9.650 -0.674 1.00 44.30 O HETATM 1194 O HOH 5 7.503 -0.863 26.386 1.00 33.25 O HETATM 1195 O HOH 6 20.575 10.185 22.589 1.00 19.70 O HETATM 1196 O HOH 7 23.939 10.743 -4.495 1.00 26.91 O HETATM 1197 O HOH 8 18.004 7.442 11.163 1.00 32.13 O HETATM 1198 O HOH 9 26.463 8.354 -4.832 1.00 38.17 O HETATM 1199 O HOH 10 18.370 -13.240 6.667 1.00 33.93 O HETATM 1200 O HOH 11 9.218 -5.463 21.844 1.00 27.18 O HETATM 1201 O HOH 12 19.790 -6.093 -1.239 1.00 38.21 O HETATM 1202 O HOH 13 29.511 6.102 28.027 1.00 15.97 O HETATM 1203 O HOH 14 19.106 -3.422 29.502 1.00 24.27 O HETATM 1204 O HOH 15 31.611 6.973 8.966 1.00 34.98 O HETATM 1205 O HOH 16 22.504 15.009 5.031 1.00 37.31 O HETATM 1206 O HOH 17 1.440 1.885 0.001 1.00 46.16 O HETATM 1207 O HOH 18 35.581 -3.479 11.237 1.00 38.65 O HETATM 1208 O HOH 19 15.099 5.955 -3.542 1.00 29.03 O HETATM 1209 O HOH 20 22.507 -13.676 19.721 1.00 21.16 O HETATM 1210 O HOH 21 15.790 -5.192 12.445 1.00 26.00 O HETATM 1211 O HOH 22 15.531 9.830 -3.358 1.00 34.18 O HETATM 1212 O HOH 23 12.257 0.987 21.106 1.00 16.21 O HETATM 1213 O HOH 24 15.488 -7.864 13.960 1.00 25.13 O HETATM 1214 O HOH 25 26.995 -4.268 26.601 1.00 25.83 O HETATM 1215 O HOH 26 30.724 8.809 9.824 1.00 33.98 O HETATM 1216 O HOH 27 28.159 -8.050 22.452 1.00 29.44 O HETATM 1217 O HOH 28 19.170 15.636 10.477 1.00 32.54 O HETATM 1218 O HOH 29 26.379 -4.509 1.375 1.00 32.63 O HETATM 1219 O HOH 30 24.241 0.419 31.445 1.00 21.00 O HETATM 1220 O HOH 31 14.002 9.450 16.460 1.00 35.50 O HETATM 1221 O HOH 32 33.009 0.626 9.413 1.00 23.04 O HETATM 1222 O HOH 33 19.126 11.345 -2.504 1.00 39.48 O HETATM 1223 O HOH 34 3.157 2.019 4.127 1.00 45.43 O HETATM 1224 O HOH 35 20.595 -11.633 7.203 1.00 26.64 O HETATM 1225 O HOH 36 27.098 9.425 21.123 1.00 30.59 O HETATM 1226 O HOH 37 32.662 -5.831 17.074 1.00 24.05 O HETATM 1227 O HOH 38 17.684 12.611 14.427 1.00 36.50 O HETATM 1228 O HOH 39 27.567 -0.515 27.301 1.00 27.65 O HETATM 1229 O HOH 40 11.039 -6.126 22.946 1.00 26.97 O HETATM 1230 O HOH 41 29.877 10.874 21.008 1.00 35.21 O HETATM 1231 O HOH 42 31.750 0.812 16.746 1.00 19.16 O HETATM 1232 O HOH 43 24.952 5.647 29.632 1.00 29.14 O HETATM 1233 O HOH 44 27.395 -7.611 18.948 1.00 33.16 O HETATM 1234 O HOH 45 22.536 -8.184 14.060 1.00 17.81 O HETATM 1235 O HOH 46 27.963 -10.773 23.485 1.00 34.23 O HETATM 1236 O HOH 47 16.541 5.559 21.651 1.00 15.65 O HETATM 1237 O HOH 48 17.404 7.688 24.841 1.00 12.40 O HETATM 1238 O HOH 49 10.770 -0.121 -3.672 1.00 39.59 O HETATM 1239 O HOH 50 18.199 -6.830 25.872 1.00 13.01 O HETATM 1240 O HOH 51 31.515 4.325 17.983 1.00 18.03 O HETATM 1241 O HOH 52 11.892 7.856 -5.316 1.00 40.34 O HETATM 1242 O HOH 53 24.229 -11.904 26.714 1.00 22.73 O HETATM 1243 O HOH 54 24.737 -9.648 14.167 1.00 27.10 O HETATM 1244 O HOH 55 28.867 -5.380 21.456 1.00 30.46 O HETATM 1245 O HOH 56 8.570 6.896 22.450 1.00 23.83 O HETATM 1246 O HOH 57 22.308 -18.037 23.912 1.00 40.17 O HETATM 1247 O HOH 58 12.276 -7.965 21.697 1.00 23.81 O HETATM 1248 O HOH 59 20.134 3.888 -9.519 1.00 41.28 O HETATM 1249 O HOH 60 11.068 -9.651 4.833 1.00 44.19 O HETATM 1250 O HOH 61 31.648 -0.177 5.300 1.00 32.28 O HETATM 1251 O HOH 62 7.896 -2.576 21.979 1.00 25.57 O HETATM 1252 O HOH 63 8.836 1.701 9.238 1.00 38.26 O HETATM 1253 O HOH 64 18.917 7.142 28.725 1.00 19.30 O HETATM 1254 O HOH 65 19.177 -13.164 17.023 1.00 31.72 O HETATM 1255 O HOH 66 13.410 -7.066 18.056 1.00 31.48 O HETATM 1256 O HOH 67 32.868 -6.825 10.106 1.00 31.50 O HETATM 1257 O HOH 68 21.509 7.114 29.365 1.00 21.98 O HETATM 1258 O HOH 69 34.447 -1.024 16.405 1.00 31.26 O HETATM 1259 O HOH 70 32.361 10.912 15.357 1.00 36.15 O HETATM 1260 O HOH 71 19.951 -12.050 19.528 1.00 26.50 O HETATM 1261 O HOH 72 15.875 8.783 14.434 1.00 30.22 O HETATM 1262 O HOH 73 16.776 -3.748 32.693 1.00 32.58 O HETATM 1263 O HOH 74 24.920 14.383 7.848 1.00 39.80 O HETATM 1264 O HOH 75 0.651 0.583 7.119 1.00 53.50 O HETATM 1265 O HOH 76 20.424 -15.940 22.688 1.00 29.33 O HETATM 1266 O HOH 77 15.090 1.942 10.713 1.00 24.50 O HETATM 1267 O HOH 78 27.640 10.473 27.952 1.00 27.90 O HETATM 1268 O HOH 79 28.650 -12.065 13.169 1.00 26.85 O HETATM 1269 O HOH 80 24.135 -12.875 12.615 1.00 37.41 O HETATM 1270 O HOH 81 9.520 -22.926 16.079 1.00 42.24 O HETATM 1271 O HOH 82 32.965 -2.053 5.999 1.00 39.37 O HETATM 1272 O HOH 83 8.123 2.721 20.946 1.00 31.95 O HETATM 1273 O HOH 84 13.116 -12.276 13.580 1.00 39.93 O HETATM 1274 O HOH 85 4.982 12.259 -7.362 1.00 52.29 O HETATM 1275 O HOH 86 5.855 2.610 26.361 1.00 38.56 O HETATM 1276 O HOH 87 23.017 9.361 28.948 1.00 31.40 O HETATM 1277 O HOH 88 9.888 1.530 19.743 1.00 23.21 O HETATM 1278 O HOH 89 13.377 10.789 -4.425 1.00 40.92 O HETATM 1279 O HOH 90 29.009 -9.535 18.613 1.00 36.64 O HETATM 1280 O HOH 91 24.839 -12.166 15.112 1.00 24.14 O HETATM 1281 O HOH 92 32.409 3.253 15.339 1.00 24.24 O HETATM 1282 O HOH 93 27.587 -12.814 16.507 1.00 39.79 O HETATM 1283 O HOH 94 31.774 3.024 -3.700 1.00 40.82 O HETATM 1284 O HOH 95 8.061 -1.052 19.740 1.00 40.99 O HETATM 1285 O HOH 96 28.943 9.689 24.426 1.00 31.59 O HETATM 1286 O HOH 97 6.023 -1.571 23.994 1.00 33.48 O HETATM 1287 O HOH 98 23.472 -0.575 34.029 1.00 39.94 O HETATM 1288 O HOH 99 23.328 -13.947 16.991 1.00 29.00 O HETATM 1289 O HOH 100 5.920 0.598 21.825 1.00 42.12 O HETATM 1290 N9 MOL A 101 11.704 -3.427 19.281 1.00 -0.19 N HETATM 1291 C8 MOL A 101 11.425 -2.185 19.693 1.00 0.11 C HETATM 1292 N7 MOL A 101 12.139 -1.846 20.668 1.00 -0.30 N HETATM 1293 C5 MOL A 101 12.920 -2.876 20.993 1.00 0.10 C HETATM 1294 C6 MOL A 101 13.869 -3.138 21.976 1.00 0.13 C HETATM 1295 N6 MOL A 101 14.116 -2.176 22.858 1.00 -0.32 N HETATM 1296 H2 MOL A 101 14.811 -2.326 23.603 1.00 0.18 H HETATM 1297 H3 MOL A 101 13.613 -1.280 22.797 1.00 0.18 H HETATM 1298 N1 MOL A 101 14.466 -4.337 21.985 1.00 -0.27 N HETATM 1299 C2 MOL A 101 14.181 -5.243 21.085 1.00 0.05 C HETATM 1300 N3 MOL A 101 13.286 -5.038 20.163 1.00 -0.27 N HETATM 1301 C4 MOL A 101 12.639 -3.916 20.083 1.00 0.16 C HETATM 1302 H4 MOL A 101 14.705 -6.191 21.108 1.00 0.10 H HETATM 1303 H1 MOL A 101 10.670 -1.546 19.238 1.00 0.13 H HETATM 1304 C1' MOL A 101 11.104 -4.129 18.174 1.00 0.20 C HETATM 1305 O4' MOL A 101 10.996 -3.237 17.070 1.00 -0.34 O HETATM 1306 C4' MOL A 101 9.800 -3.472 16.341 1.00 0.12 C HETATM 1307 C5' MOL A 101 9.087 -2.144 16.612 1.00 0.11 C HETATM 1308 O5' MOL A 101 8.317 -1.600 15.561 1.00 -0.25 O HETATM 1309 PA MOL A 101 8.764 -0.185 14.880 1.00 0.32 P HETATM 1310 O1A MOL A 101 7.985 0.895 15.381 1.00 -0.58 O HETATM 1311 O2A MOL A 101 10.244 0.327 15.000 1.00 -0.58 O HETATM 1312 O3A MOL A 101 8.790 -0.533 13.301 1.00 -0.12 O HETATM 1313 PB MOL A 101 7.778 -1.544 12.555 1.00 0.35 P HETATM 1314 O1B MOL A 101 8.296 -1.499 11.214 1.00 -0.58 O HETATM 1315 O2B MOL A 101 6.421 -0.799 12.532 1.00 -0.58 O HETATM 1316 O3B MOL A 101 7.540 -3.050 12.998 1.00 -0.11 O HETATM 1317 PG MOL A 101 8.655 -3.939 12.253 1.00 0.36 P HETATM 1318 O2G MOL A 101 8.405 -4.089 10.839 1.00 -0.58 O HETATM 1319 O1G MOL A 101 8.689 -5.328 13.024 1.00 -0.58 O HETATM 1320 O3G MOL A 101 9.955 -3.082 12.355 1.00 -0.12 O HETATM 1321 PD MOL A 101 11.060 -4.120 12.698 1.00 0.35 P HETATM 1322 O1D MOL A 101 10.921 -4.610 14.060 1.00 -0.58 O HETATM 1323 O2D MOL A 101 10.888 -5.437 11.792 1.00 -0.58 O HETATM 1324 O3D MOL A 101 12.482 -3.530 12.249 1.00 -0.16 O HETATM 1325 PE MOL A 101 13.242 -2.763 13.324 1.00 0.17 P HETATM 1326 O1E MOL A 101 13.128 -3.463 14.618 1.00 -0.63 O HETATM 1327 O2E MOL A 101 12.401 -1.400 13.305 1.00 -0.63 O HETATM 1328 O3E MOL A 101 14.785 -2.403 13.084 1.00 -0.63 O HETATM 1329 H5 MOL A 101 8.415 -2.298 17.469 1.00 0.06 H HETATM 1330 H6 MOL A 101 9.856 -1.403 16.877 1.00 0.06 H HETATM 1331 C3' MOL A 101 9.113 -4.675 17.064 1.00 0.11 C HETATM 1332 O3' MOL A 101 9.521 -5.951 16.632 1.00 -0.39 O HETATM 1333 H9 MOL A 101 9.053 -6.615 17.124 1.00 0.21 H HETATM 1334 C2' MOL A 101 9.654 -4.504 18.496 1.00 0.14 C HETATM 1335 O2' MOL A 101 9.592 -5.644 19.341 1.00 -0.38 O HETATM 1336 H11 MOL A 101 9.950 -5.425 20.193 1.00 0.21 H HETATM 1337 H10 MOL A 101 9.131 -3.679 19.002 1.00 0.07 H HETATM 1338 H8 MOL A 101 8.017 -4.594 17.009 1.00 0.06 H HETATM 1339 H7 MOL A 101 9.948 -3.669 15.269 1.00 0.07 H HETATM 1340 H12 MOL A 101 11.698 -5.019 17.919 1.00 0.10 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 245 244 810 CONECT 399 398 919 CONECT 561 560 1062 CONECT 626 625 694 CONECT 694 626 693 CONECT 810 245 809 CONECT 919 399 918 CONECT 1062 561 1061 CONECT 1290 1291 1301 1304 CONECT 1291 1290 1292 1303 CONECT 1292 1291 1293 CONECT 1293 1292 1294 1301 CONECT 1294 1293 1295 1298 CONECT 1295 1294 1296 1297 CONECT 1296 1295 CONECT 1297 1295 CONECT 1298 1294 1299 CONECT 1299 1298 1300 1302 CONECT 1300 1299 1301 CONECT 1301 1290 1293 1300 CONECT 1302 1299 CONECT 1303 1291 CONECT 1304 1290 1305 1334 1340 CONECT 1305 1304 1306 CONECT 1306 1305 1307 1331 1339 CONECT 1307 1306 1308 1329 1330 CONECT 1308 1307 1309 CONECT 1309 1308 1310 1311 1312 CONECT 1310 1309 CONECT 1311 1309 CONECT 1312 1309 1313 CONECT 1313 1312 1314 1315 1316 CONECT 1314 1313 CONECT 1315 1313 CONECT 1316 1313 1317 CONECT 1317 1316 1318 1319 1320 CONECT 1318 1317 CONECT 1319 1317 CONECT 1320 1317 1321 CONECT 1321 1320 1322 1323 1324 CONECT 1322 1321 CONECT 1323 1321 CONECT 1324 1321 1325 CONECT 1325 1324 1326 1327 1328 CONECT 1326 1325 CONECT 1327 1325 CONECT 1328 1325 CONECT 1329 1307 CONECT 1330 1307 CONECT 1331 1306 1332 1334 1338 CONECT 1332 1331 1333 CONECT 1333 1332 CONECT 1334 1304 1331 1335 1337 CONECT 1335 1334 1336 CONECT 1336 1335 CONECT 1337 1334 CONECT 1338 1331 CONECT 1339 1306 CONECT 1340 1304 MASTER 0 0 0 0 0 0 0 0 1339 1 63 10 END
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Related entries of code: 6pvv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
124aa, >1AFK_1|Chains... at 99%
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1j80
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1jn4
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PDBbind
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RCSB PDB
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RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0h
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PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
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PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
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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
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RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
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PDBbind
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PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
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PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
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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
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
124aa, >2XOI_1|Chains... at 99%
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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%
6rsa
RCSB PDB
PDBbind
124aa, >6RSA_1|Chain... at 99%
6pvx
RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
6pvw
RCSB PDB
PDBbind
124aa, >6PVW_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
6pvv
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
RNase A
Ligand Name
5FA
EC.Number
E.C.4.6.1.18
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Ki=1.4uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Am.Chem.Soc. Vol. 141: pp. 18400-18404
Ligand Properties
Formula
C
1
0
H
2
3
N
5
O
1
9
P
5
Molecular Weight
672.181
Exact Mass
671.968
No. of atoms
62
No. of bonds
64
Polar Surface Area
455.94
LOGP Value
-8.42 (
Computed with XLOGP3
)
-3.00 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(OP(OP(OP(O)(O)O)(O)O)(O)O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H28N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(30-10)1-29-36(21,22)32-38(25,26)34-39(27,28)33-37(23,24)31-35(18,19)20/h2-4,6-7,10,16-28,35-39H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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