Browse entries in the PDBbind-CN Database
HEADER 2W5G_COMPLEX COMPND 2W5G_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 ATP A 174 43 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 38.525 -20.408 25.553 1.00 48.66 N ATOM 2 CA LYS A 1 38.670 -18.943 25.323 1.00 47.75 C ATOM 3 C LYS A 1 37.326 -18.216 25.406 1.00 46.74 C ATOM 4 O LYS A 1 36.281 -18.754 25.019 1.00 47.81 O ATOM 5 CB LYS A 1 39.333 -18.668 23.967 1.00 48.06 C ATOM 6 HA LYS A 1 39.309 -18.556 26.117 1.00 0.00 H ATOM 7 HB2 LYS A 1 40.321 -19.127 23.948 1.00 0.00 H ATOM 8 HB3 LYS A 1 38.719 -19.090 23.172 1.00 0.00 H ATOM 9 HN3 LYS A 1 37.892 -20.810 24.832 1.00 0.00 H ATOM 10 HN2 LYS A 1 38.124 -20.571 26.499 1.00 0.00 H ATOM 11 HN1 LYS A 1 39.458 -20.862 25.488 1.00 0.00 H ATOM 12 N GLU A 2 37.374 -16.990 25.925 1.00 44.96 N ATOM 13 CA GLU A 2 36.237 -16.083 25.938 1.00 41.50 C ATOM 14 C GLU A 2 35.975 -15.639 24.503 1.00 38.94 C ATOM 15 O GLU A 2 36.914 -15.246 23.793 1.00 38.43 O ATOM 16 CB GLU A 2 36.580 -14.869 26.808 1.00 42.09 C ATOM 17 CG GLU A 2 35.398 -14.011 27.185 1.00 41.43 C ATOM 18 CD GLU A 2 35.810 -12.758 27.939 1.00 38.43 C ATOM 19 OE1 GLU A 2 36.878 -12.181 27.621 1.00 41.74 O ATOM 20 OE2 GLU A 2 35.070 -12.356 28.854 1.00 40.70 O ATOM 21 HA GLU A 2 35.351 -16.571 26.344 1.00 0.00 H ATOM 22 HB2 GLU A 2 37.045 -15.229 27.726 1.00 0.00 H ATOM 23 HB3 GLU A 2 37.290 -14.248 26.261 1.00 0.00 H ATOM 24 HG2 GLU A 2 34.874 -13.717 26.276 1.00 0.00 H ATOM 25 HG3 GLU A 2 34.728 -14.595 27.816 1.00 0.00 H ATOM 26 H GLU A 2 38.270 -16.665 26.342 1.00 0.00 H ATOM 27 N THR A 3 34.720 -15.706 24.061 1.00 36.78 N ATOM 28 CA THR A 3 34.399 -15.245 22.696 1.00 35.37 C ATOM 29 C THR A 3 34.456 -13.719 22.668 1.00 34.08 C ATOM 30 O THR A 3 34.336 -13.065 23.716 1.00 30.60 O ATOM 31 CB THR A 3 33.019 -15.725 22.168 1.00 35.29 C ATOM 32 OG1 THR A 3 31.957 -15.074 22.878 1.00 38.15 O ATOM 33 CG2 THR A 3 32.870 -17.257 22.284 1.00 37.90 C ATOM 34 HA THR A 3 35.141 -15.688 22.032 1.00 0.00 H ATOM 35 HB THR A 3 32.960 -15.459 21.113 1.00 0.00 H ATOM 36 HG1 THR A 3 31.086 -15.391 22.530 1.00 0.00 H ATOM 37 HG23 THR A 3 33.682 -17.742 21.741 1.00 0.00 H ATOM 38 HG21 THR A 3 32.910 -17.546 23.334 1.00 0.00 H ATOM 39 HG22 THR A 3 31.914 -17.561 21.858 1.00 0.00 H ATOM 40 H THR A 3 33.969 -16.082 24.675 1.00 0.00 H ATOM 41 N ALA A 4 34.642 -13.164 21.471 1.00 33.86 N ATOM 42 CA ALA A 4 34.707 -11.703 21.286 1.00 32.37 C ATOM 43 C ALA A 4 33.393 -11.048 21.709 1.00 30.45 C ATOM 44 O ALA A 4 33.414 -9.974 22.303 1.00 31.10 O ATOM 45 CB ALA A 4 35.048 -11.350 19.847 1.00 32.58 C ATOM 46 HA ALA A 4 35.503 -11.316 21.923 1.00 0.00 H ATOM 47 HB1 ALA A 4 36.016 -11.779 19.589 1.00 0.00 H ATOM 48 HB2 ALA A 4 34.282 -11.753 19.184 1.00 0.00 H ATOM 49 HB3 ALA A 4 35.089 -10.266 19.740 1.00 0.00 H ATOM 50 H ALA A 4 34.745 -13.781 20.640 1.00 0.00 H ATOM 51 N ALA A 5 32.266 -11.695 21.418 1.00 29.19 N ATOM 52 CA ALA A 5 30.953 -11.189 21.866 1.00 28.51 C ATOM 53 C ALA A 5 30.823 -11.175 23.372 1.00 28.17 C ATOM 54 O ALA A 5 30.312 -10.200 23.955 1.00 26.42 O ATOM 55 CB ALA A 5 29.792 -11.986 21.239 1.00 28.65 C ATOM 56 HA ALA A 5 30.892 -10.158 21.519 1.00 0.00 H ATOM 57 HB1 ALA A 5 29.841 -11.903 20.153 1.00 0.00 H ATOM 58 HB2 ALA A 5 29.874 -13.034 21.529 1.00 0.00 H ATOM 59 HB3 ALA A 5 28.843 -11.583 21.593 1.00 0.00 H ATOM 60 H ALA A 5 32.311 -12.574 20.864 1.00 0.00 H ATOM 61 N ALA A 6 31.260 -12.265 24.018 1.00 26.66 N ATOM 62 CA ALA A 6 31.251 -12.320 25.488 1.00 26.94 C ATOM 63 C ALA A 6 32.172 -11.273 26.079 1.00 24.52 C ATOM 64 O ALA A 6 31.856 -10.662 27.107 1.00 26.72 O ATOM 65 CB ALA A 6 31.654 -13.734 26.013 1.00 27.23 C ATOM 66 HA ALA A 6 30.230 -12.113 25.807 1.00 0.00 H ATOM 67 HB1 ALA A 6 30.949 -14.475 25.636 1.00 0.00 H ATOM 68 HB2 ALA A 6 32.658 -13.977 25.665 1.00 0.00 H ATOM 69 HB3 ALA A 6 31.636 -13.734 27.103 1.00 0.00 H ATOM 70 H ALA A 6 31.609 -13.080 23.475 1.00 0.00 H ATOM 71 N LYS A 7 33.312 -11.054 25.435 1.00 25.17 N ATOM 72 CA LYS A 7 34.260 -10.057 25.897 1.00 24.47 C ATOM 73 C LYS A 7 33.610 -8.672 25.859 1.00 24.17 C ATOM 74 O LYS A 7 33.782 -7.892 26.785 1.00 24.19 O ATOM 75 CB LYS A 7 35.533 -10.068 25.058 1.00 25.40 C ATOM 76 CG LYS A 7 36.574 -9.115 25.627 1.00 29.44 C ATOM 77 CD LYS A 7 37.990 -9.397 25.124 1.00 39.48 C ATOM 78 CE LYS A 7 38.370 -8.499 23.966 1.00 48.27 C ATOM 79 NZ LYS A 7 39.858 -8.501 23.747 1.00 49.67 N ATOM 80 HA LYS A 7 34.539 -10.299 26.923 1.00 0.00 H ATOM 81 HB2 LYS A 7 35.943 -11.078 25.047 1.00 0.00 H ATOM 82 HB3 LYS A 7 35.291 -9.764 24.040 1.00 0.00 H ATOM 83 HG2 LYS A 7 36.303 -8.097 25.346 1.00 0.00 H ATOM 84 HG3 LYS A 7 36.568 -9.204 26.713 1.00 0.00 H ATOM 85 HD2 LYS A 7 38.693 -9.234 25.941 1.00 0.00 H ATOM 86 HD3 LYS A 7 38.048 -10.436 24.798 1.00 0.00 H ATOM 87 HE2 LYS A 7 38.043 -7.482 24.181 1.00 0.00 H ATOM 88 HE3 LYS A 7 37.876 -8.855 23.062 1.00 0.00 H ATOM 89 HZ1 LYS A 7 40.334 -8.158 24.606 1.00 0.00 H ATOM 90 HZ2 LYS A 7 40.175 -9.469 23.537 1.00 0.00 H ATOM 91 HZ3 LYS A 7 40.090 -7.878 22.948 1.00 0.00 H ATOM 92 H LYS A 7 33.530 -11.608 24.582 1.00 0.00 H ATOM 93 N PHE A 8 32.881 -8.370 24.784 1.00 23.54 N ATOM 94 CA PHE A 8 32.147 -7.081 24.709 1.00 21.69 C ATOM 95 C PHE A 8 31.122 -6.920 25.834 1.00 21.74 C ATOM 96 O PHE A 8 31.030 -5.859 26.437 1.00 22.72 O ATOM 97 CB PHE A 8 31.489 -6.929 23.344 1.00 23.06 C ATOM 98 CG PHE A 8 30.718 -5.646 23.189 1.00 21.54 C ATOM 99 CD1 PHE A 8 31.351 -4.501 22.666 1.00 22.09 C ATOM 100 CD2 PHE A 8 29.389 -5.560 23.617 1.00 21.33 C ATOM 101 CE1 PHE A 8 30.626 -3.310 22.543 1.00 25.45 C ATOM 102 CE2 PHE A 8 28.670 -4.370 23.508 1.00 22.54 C ATOM 103 CZ PHE A 8 29.283 -3.247 22.962 1.00 23.63 C ATOM 104 HA PHE A 8 32.878 -6.284 24.842 1.00 0.00 H ATOM 105 HB2 PHE A 8 32.266 -6.959 22.581 1.00 0.00 H ATOM 106 HB3 PHE A 8 30.804 -7.764 23.196 1.00 0.00 H ATOM 107 HD2 PHE A 8 28.906 -6.439 24.044 1.00 0.00 H ATOM 108 HE2 PHE A 8 27.636 -4.320 23.848 1.00 0.00 H ATOM 109 HZ PHE A 8 28.723 -2.317 22.858 1.00 0.00 H ATOM 110 HE1 PHE A 8 31.104 -2.426 22.120 1.00 0.00 H ATOM 111 HD1 PHE A 8 32.396 -4.542 22.360 1.00 0.00 H ATOM 112 H PHE A 8 32.826 -9.042 23.992 1.00 0.00 H ATOM 113 N GLU A 9 30.344 -7.971 26.123 1.00 22.29 N ATOM 114 CA GLU A 9 29.395 -7.902 27.236 1.00 23.61 C ATOM 115 C GLU A 9 30.115 -7.660 28.563 1.00 23.62 C ATOM 116 O GLU A 9 29.669 -6.842 29.371 1.00 24.54 O ATOM 117 CB GLU A 9 28.549 -9.173 27.305 1.00 23.96 C ATOM 118 CG GLU A 9 27.735 -9.375 26.047 1.00 28.92 C ATOM 119 CD GLU A 9 26.711 -10.466 26.212 1.00 39.63 C ATOM 120 OE1 GLU A 9 26.255 -10.665 27.375 1.00 39.95 O ATOM 121 OE2 GLU A 9 26.368 -11.093 25.182 1.00 39.27 O ATOM 122 HA GLU A 9 28.731 -7.056 27.056 1.00 0.00 H ATOM 123 HB2 GLU A 9 29.209 -10.030 27.440 1.00 0.00 H ATOM 124 HB3 GLU A 9 27.872 -9.101 28.156 1.00 0.00 H ATOM 125 HG2 GLU A 9 27.223 -8.444 25.805 1.00 0.00 H ATOM 126 HG3 GLU A 9 28.407 -9.642 25.231 1.00 0.00 H ATOM 127 H GLU A 9 30.414 -8.839 25.555 1.00 0.00 H ATOM 128 N ARG A 10 31.228 -8.363 28.790 1.00 22.62 N ATOM 129 CA ARG A 10 31.970 -8.178 30.052 1.00 23.08 C ATOM 130 C ARG A 10 32.559 -6.774 30.178 1.00 22.90 C ATOM 131 O ARG A 10 32.530 -6.149 31.251 1.00 25.01 O ATOM 132 CB ARG A 10 33.127 -9.180 30.130 1.00 22.87 C ATOM 133 CG ARG A 10 34.017 -8.974 31.337 1.00 26.91 C ATOM 134 CD ARG A 10 35.014 -10.100 31.524 1.00 33.56 C ATOM 135 NE ARG A 10 35.871 -10.300 30.365 1.00 32.03 N ATOM 136 CZ ARG A 10 36.993 -9.620 30.129 1.00 35.43 C ATOM 137 NH1 ARG A 10 37.399 -8.663 30.961 1.00 36.50 N ATOM 138 NH2 ARG A 10 37.706 -9.891 29.051 1.00 36.64 N ATOM 139 HA ARG A 10 31.256 -8.335 30.860 1.00 0.00 H ATOM 140 HB2 ARG A 10 32.711 -10.187 30.174 1.00 0.00 H ATOM 141 HB3 ARG A 10 33.734 -9.078 29.231 1.00 0.00 H ATOM 142 HG2 ARG A 10 34.564 -8.040 31.212 1.00 0.00 H ATOM 143 HG3 ARG A 10 33.390 -8.911 32.227 1.00 0.00 H ATOM 144 HD2 ARG A 10 34.465 -11.022 31.714 1.00 0.00 H ATOM 145 HD3 ARG A 10 35.642 -9.869 32.385 1.00 0.00 H ATOM 146 HE ARG A 10 35.589 -11.023 29.673 1.00 0.00 H ATOM 147 HH12 ARG A 10 38.277 -8.141 30.764 1.00 0.00 H ATOM 148 HH11 ARG A 10 36.839 -8.438 31.808 1.00 0.00 H ATOM 149 HH22 ARG A 10 38.582 -9.364 28.861 1.00 0.00 H ATOM 150 HH21 ARG A 10 37.391 -10.631 28.392 1.00 0.00 H ATOM 151 H ARG A 10 31.571 -9.040 28.078 1.00 0.00 H ATOM 152 N GLN A 11 33.107 -6.275 29.083 1.00 22.63 N ATOM 153 CA GLN A 11 33.830 -5.012 29.143 1.00 21.92 C ATOM 154 C GLN A 11 32.913 -3.798 29.063 1.00 23.96 C ATOM 155 O GLN A 11 33.292 -2.717 29.541 1.00 26.26 O ATOM 156 CB GLN A 11 34.850 -4.940 27.999 1.00 22.33 C ATOM 157 CG GLN A 11 36.047 -5.846 28.143 1.00 26.91 C ATOM 158 CD GLN A 11 37.189 -5.351 27.292 1.00 38.80 C ATOM 159 OE1 GLN A 11 38.262 -5.040 27.792 1.00 47.07 O ATOM 160 NE2 GLN A 11 36.942 -5.218 26.007 1.00 35.56 N ATOM 161 HA GLN A 11 34.330 -4.985 30.111 1.00 0.00 H ATOM 162 HB2 GLN A 11 34.338 -5.204 27.074 1.00 0.00 H ATOM 163 HB3 GLN A 11 35.211 -3.913 27.933 1.00 0.00 H ATOM 164 HG2 GLN A 11 36.359 -5.865 29.187 1.00 0.00 H ATOM 165 HG3 GLN A 11 35.775 -6.853 27.828 1.00 0.00 H ATOM 166 HE22 GLN A 11 36.016 -5.495 25.624 1.00 0.00 H ATOM 167 HE21 GLN A 11 37.673 -4.836 25.374 1.00 0.00 H ATOM 168 H GLN A 11 33.022 -6.784 28.180 1.00 0.00 H ATOM 169 N HIS A 12 31.726 -3.951 28.467 1.00 22.71 N ATOM 170 CA HIS A 12 30.912 -2.766 28.081 1.00 22.91 C ATOM 171 C HIS A 12 29.442 -2.727 28.412 1.00 24.51 C ATOM 172 O HIS A 12 28.824 -1.681 28.194 1.00 25.40 O ATOM 173 CB HIS A 12 31.027 -2.493 26.592 1.00 22.49 C ATOM 174 CG HIS A 12 32.435 -2.263 26.142 1.00 20.97 C ATOM 175 ND1 HIS A 12 33.163 -1.163 26.537 1.00 20.89 N ATOM 176 CD2 HIS A 12 33.242 -2.977 25.318 1.00 20.44 C ATOM 177 CE1 HIS A 12 34.360 -1.208 25.976 1.00 24.37 C ATOM 178 NE2 HIS A 12 34.437 -2.304 25.236 1.00 23.51 N ATOM 179 HA HIS A 12 31.364 -2.010 28.724 1.00 0.00 H ATOM 180 HB2 HIS A 12 30.625 -3.349 26.050 1.00 0.00 H ATOM 181 HB3 HIS A 12 30.438 -1.607 26.356 1.00 0.00 H ATOM 182 HD2 HIS A 12 32.990 -3.910 24.815 1.00 0.00 H ATOM 183 HE1 HIS A 12 35.150 -0.468 26.101 1.00 0.00 H ATOM 184 H HIS A 12 31.368 -4.908 28.271 1.00 0.00 H ATOM 185 N MET A 13 28.875 -3.828 28.906 1.00 24.54 N ATOM 186 CA MET A 13 27.454 -3.834 29.182 1.00 25.04 C ATOM 187 C MET A 13 27.218 -3.798 30.683 1.00 26.59 C ATOM 188 O MET A 13 27.767 -4.631 31.406 1.00 28.20 O ATOM 189 CB MET A 13 26.780 -5.091 28.643 1.00 24.80 C ATOM 190 CG MET A 13 26.665 -5.219 27.137 1.00 26.22 C ATOM 191 SD MET A 13 25.779 -3.837 26.398 1.00 28.51 S ATOM 192 CE MET A 13 24.186 -3.921 27.252 1.00 32.54 C ATOM 193 HA MET A 13 27.031 -2.956 28.693 1.00 0.00 H ATOM 194 HB2 MET A 13 27.347 -5.949 29.004 1.00 0.00 H ATOM 195 HB3 MET A 13 25.771 -5.125 29.054 1.00 0.00 H ATOM 196 HG2 MET A 13 26.134 -6.141 26.903 1.00 0.00 H ATOM 197 HG3 MET A 13 27.667 -5.261 26.711 1.00 0.00 H ATOM 198 HE1 MET A 13 23.719 -4.886 27.054 1.00 0.00 H ATOM 199 HE2 MET A 13 24.344 -3.806 28.324 1.00 0.00 H ATOM 200 HE3 MET A 13 23.539 -3.122 26.891 1.00 0.00 H ATOM 201 H MET A 13 29.449 -4.675 29.091 1.00 0.00 H ATOM 202 N ASP A 14 26.378 -2.859 31.112 1.00 27.26 N ATOM 203 CA ASP A 14 25.873 -2.814 32.500 1.00 29.61 C ATOM 204 C ASP A 14 24.412 -2.375 32.518 1.00 31.03 C ATOM 205 O ASP A 14 24.087 -1.207 32.796 1.00 30.26 O ATOM 206 CB ASP A 14 26.703 -1.901 33.383 1.00 30.18 C ATOM 207 CG ASP A 14 26.168 -1.835 34.836 1.00 32.17 C ATOM 208 OD1 ASP A 14 25.435 -2.765 35.251 1.00 35.47 O ATOM 209 OD2 ASP A 14 26.475 -0.849 35.536 1.00 36.33 O ATOM 210 HA ASP A 14 25.954 -3.822 32.906 1.00 0.00 H ATOM 211 HB2 ASP A 14 27.728 -2.271 33.404 1.00 0.00 H ATOM 212 HB3 ASP A 14 26.689 -0.897 32.959 1.00 0.00 H ATOM 213 H ASP A 14 26.064 -2.127 30.443 1.00 0.00 H ATOM 214 N SER A 15 23.544 -3.330 32.223 1.00 34.33 N ATOM 215 CA SER A 15 22.103 -3.099 32.171 1.00 39.31 C ATOM 216 C SER A 15 21.487 -2.923 33.572 1.00 42.79 C ATOM 217 O SER A 15 20.397 -2.365 33.695 1.00 43.86 O ATOM 218 CB SER A 15 21.414 -4.263 31.443 1.00 39.54 C ATOM 219 OG SER A 15 22.037 -4.567 30.204 1.00 39.94 O ATOM 220 HA SER A 15 21.943 -2.169 31.625 1.00 0.00 H ATOM 221 HB2 SER A 15 20.374 -3.994 31.256 1.00 0.00 H ATOM 222 HB3 SER A 15 21.451 -5.146 32.080 1.00 0.00 H ATOM 223 HG SER A 15 22.002 -3.772 29.615 1.00 0.00 H ATOM 224 H SER A 15 23.903 -4.285 32.020 1.00 0.00 H ATOM 225 N SER A 16 22.190 -3.377 34.615 1.00 45.78 N ATOM 226 CA SER A 16 21.673 -3.308 36.008 1.00 49.29 C ATOM 227 C SER A 16 21.405 -1.892 36.564 1.00 51.99 C ATOM 228 O SER A 16 20.511 -1.708 37.403 1.00 52.59 O ATOM 229 CB SER A 16 22.579 -4.074 36.973 1.00 49.11 C ATOM 230 OG SER A 16 22.765 -5.426 36.566 1.00 49.86 O ATOM 231 HA SER A 16 20.693 -3.780 35.938 1.00 0.00 H ATOM 232 HB2 SER A 16 22.127 -4.063 37.965 1.00 0.00 H ATOM 233 HB3 SER A 16 23.550 -3.581 37.012 1.00 0.00 H ATOM 234 HG SER A 16 23.355 -5.886 37.214 1.00 0.00 H ATOM 235 H SER A 16 23.129 -3.792 34.447 1.00 0.00 H ATOM 236 N THR A 17 22.184 -0.904 36.125 1.00 53.91 N ATOM 237 CA THR A 17 21.919 0.489 36.492 1.00 55.95 C ATOM 238 C THR A 17 21.530 1.305 35.256 1.00 57.12 C ATOM 239 O THR A 17 21.981 1.016 34.147 1.00 57.45 O ATOM 240 CB THR A 17 23.110 1.167 37.234 1.00 56.25 C ATOM 241 OG1 THR A 17 24.197 1.407 36.326 1.00 56.38 O ATOM 242 CG2 THR A 17 23.590 0.311 38.412 1.00 57.79 C ATOM 243 HA THR A 17 21.085 0.469 37.194 1.00 0.00 H ATOM 244 HB THR A 17 22.757 2.121 37.626 1.00 0.00 H ATOM 245 HG1 THR A 17 24.503 0.546 35.945 1.00 0.00 H ATOM 246 HG23 THR A 17 22.758 0.135 39.094 1.00 0.00 H ATOM 247 HG21 THR A 17 23.963 -0.643 38.038 1.00 0.00 H ATOM 248 HG22 THR A 17 24.389 0.834 38.938 1.00 0.00 H ATOM 249 H THR A 17 22.994 -1.126 35.511 1.00 0.00 H ATOM 250 N SER A 18 20.681 2.311 35.462 1.00 58.04 N ATOM 251 CA SER A 18 20.199 3.171 34.381 1.00 58.62 C ATOM 252 C SER A 18 21.175 4.310 34.073 1.00 58.89 C ATOM 253 O SER A 18 21.178 4.852 32.965 1.00 58.28 O ATOM 254 CB SER A 18 18.808 3.728 34.718 1.00 58.67 C ATOM 255 HA SER A 18 20.127 2.556 33.484 1.00 0.00 H ATOM 256 HB2 SER A 18 18.110 2.902 34.853 1.00 0.00 H ATOM 257 HB3 SER A 18 18.864 4.311 35.637 1.00 0.00 H ATOM 258 H SER A 18 20.347 2.492 36.430 1.00 0.00 H ATOM 259 N ALA A 19 21.983 4.680 35.064 1.00 59.52 N ATOM 260 CA ALA A 19 23.002 5.719 34.910 1.00 60.44 C ATOM 261 C ALA A 19 24.172 5.436 35.844 1.00 61.27 C ATOM 262 O ALA A 19 24.197 4.400 36.528 1.00 61.55 O ATOM 263 CB ALA A 19 22.409 7.112 35.187 1.00 60.42 C ATOM 264 HA ALA A 19 23.361 5.708 33.881 1.00 0.00 H ATOM 265 HB1 ALA A 19 21.599 7.307 34.484 1.00 0.00 H ATOM 266 HB2 ALA A 19 22.024 7.145 36.206 1.00 0.00 H ATOM 267 HB3 ALA A 19 23.186 7.867 35.066 1.00 0.00 H ATOM 268 H ALA A 19 21.886 4.211 35.987 1.00 0.00 H ATOM 269 N ALA A 20 25.142 6.351 35.858 1.00 61.83 N ATOM 270 CA ALA A 20 26.272 6.270 36.772 1.00 62.21 C ATOM 271 C ALA A 20 25.747 6.216 38.200 1.00 62.43 C ATOM 272 O ALA A 20 25.161 7.189 38.695 1.00 62.53 O ATOM 273 CB ALA A 20 27.198 7.463 36.583 1.00 62.23 C ATOM 274 HA ALA A 20 26.847 5.368 36.563 1.00 0.00 H ATOM 275 HB1 ALA A 20 27.571 7.473 35.559 1.00 0.00 H ATOM 276 HB2 ALA A 20 26.648 8.383 36.780 1.00 0.00 H ATOM 277 HB3 ALA A 20 28.036 7.384 37.275 1.00 0.00 H ATOM 278 H ALA A 20 25.089 7.149 35.194 1.00 0.00 H ATOM 279 N SER A 21 25.941 5.061 38.838 1.00 62.58 N ATOM 280 CA SER A 21 25.467 4.813 40.202 1.00 62.43 C ATOM 281 C SER A 21 25.933 5.907 41.168 1.00 61.81 C ATOM 282 O SER A 21 25.110 6.584 41.794 1.00 62.80 O ATOM 283 CB SER A 21 25.901 3.420 40.690 1.00 62.43 C ATOM 284 HA SER A 21 24.378 4.839 40.182 1.00 0.00 H ATOM 285 HB2 SER A 21 25.484 2.659 40.030 1.00 0.00 H ATOM 286 HB3 SER A 21 26.989 3.355 40.680 1.00 0.00 H ATOM 287 H SER A 21 26.452 4.301 38.345 1.00 0.00 H ATOM 288 N SER A 22 27.250 6.084 41.263 1.00 60.60 N ATOM 289 CA SER A 22 27.862 7.097 42.135 1.00 58.94 C ATOM 290 C SER A 22 29.244 7.496 41.619 1.00 57.49 C ATOM 291 O SER A 22 29.681 7.032 40.556 1.00 57.18 O ATOM 292 CB SER A 22 27.970 6.582 43.582 1.00 59.07 C ATOM 293 HA SER A 22 27.218 7.976 42.125 1.00 0.00 H ATOM 294 HB2 SER A 22 26.974 6.349 43.959 1.00 0.00 H ATOM 295 HB3 SER A 22 28.586 5.683 43.601 1.00 0.00 H ATOM 296 H SER A 22 27.874 5.477 40.694 1.00 0.00 H ATOM 297 N SER A 23 29.920 8.359 42.382 1.00 55.67 N ATOM 298 CA SER A 23 31.324 8.731 42.136 1.00 53.03 C ATOM 299 C SER A 23 32.279 7.526 42.187 1.00 51.31 C ATOM 300 O SER A 23 33.331 7.541 41.544 1.00 50.87 O ATOM 301 CB SER A 23 31.781 9.826 43.121 1.00 53.39 C ATOM 302 OG SER A 23 31.320 9.585 44.449 1.00 52.19 O ATOM 303 HA SER A 23 31.368 9.125 41.121 1.00 0.00 H ATOM 304 HB2 SER A 23 31.392 10.787 42.783 1.00 0.00 H ATOM 305 HB3 SER A 23 32.870 9.859 43.128 1.00 0.00 H ATOM 306 HG SER A 23 31.674 8.717 44.768 1.00 0.00 H ATOM 307 H SER A 23 29.430 8.791 43.191 1.00 0.00 H ATOM 308 N ASN A 24 31.900 6.489 42.941 1.00 48.97 N ATOM 309 CA ASN A 24 32.725 5.280 43.069 1.00 46.75 C ATOM 310 C ASN A 24 32.530 4.246 41.947 1.00 44.57 C ATOM 311 O ASN A 24 33.306 3.284 41.857 1.00 42.70 O ATOM 312 CB ASN A 24 32.522 4.619 44.442 1.00 46.61 C ATOM 313 HA ASN A 24 33.753 5.630 42.973 1.00 0.00 H ATOM 314 HB2 ASN A 24 32.804 5.321 45.227 1.00 0.00 H ATOM 315 HB3 ASN A 24 31.474 4.343 44.559 1.00 0.00 H ATOM 316 H ASN A 24 30.995 6.540 43.452 1.00 0.00 H ATOM 317 N TYR A 25 31.509 4.458 41.106 1.00 42.81 N ATOM 318 CA TYR A 25 31.089 3.482 40.074 1.00 40.76 C ATOM 319 C TYR A 25 32.229 2.866 39.250 1.00 39.64 C ATOM 320 O TYR A 25 32.357 1.637 39.177 1.00 38.96 O ATOM 321 CB TYR A 25 30.056 4.099 39.125 1.00 41.34 C ATOM 322 CG TYR A 25 29.613 3.182 37.986 1.00 39.50 C ATOM 323 CD1 TYR A 25 28.584 2.270 38.173 1.00 36.05 C ATOM 324 CD2 TYR A 25 30.216 3.248 36.713 1.00 35.47 C ATOM 325 CE1 TYR A 25 28.156 1.429 37.144 1.00 37.30 C ATOM 326 CE2 TYR A 25 29.794 2.397 35.670 1.00 34.29 C ATOM 327 CZ TYR A 25 28.763 1.497 35.896 1.00 36.21 C ATOM 328 OH TYR A 25 28.305 0.639 34.909 1.00 34.83 O ATOM 329 HA TYR A 25 30.652 2.662 40.644 1.00 0.00 H ATOM 330 HB3 TYR A 25 30.489 4.999 38.689 1.00 0.00 H ATOM 331 HB2 TYR A 25 29.175 4.367 39.708 1.00 0.00 H ATOM 332 HD2 TYR A 25 31.017 3.965 36.533 1.00 0.00 H ATOM 333 HE2 TYR A 25 30.275 2.446 34.693 1.00 0.00 H ATOM 334 HE1 TYR A 25 27.347 0.720 37.319 1.00 0.00 H ATOM 335 HD1 TYR A 25 28.098 2.209 39.147 1.00 0.00 H ATOM 336 HH TYR A 25 27.571 0.083 35.272 1.00 0.00 H ATOM 337 H TYR A 25 30.985 5.353 41.182 1.00 0.00 H ATOM 338 N CYS A 26 33.035 3.718 38.621 1.00 38.37 N ATOM 339 CA CYS A 26 34.131 3.258 37.763 1.00 37.09 C ATOM 340 C CYS A 26 35.213 2.468 38.510 1.00 38.56 C ATOM 341 O CYS A 26 35.676 1.435 38.019 1.00 37.20 O ATOM 342 CB CYS A 26 34.744 4.426 36.992 1.00 37.17 C ATOM 343 SG CYS A 26 33.690 5.010 35.622 1.00 34.55 S ATOM 344 HA CYS A 26 33.685 2.558 37.057 1.00 0.00 H ATOM 345 HB2 CYS A 26 35.702 4.107 36.581 1.00 0.00 H ATOM 346 HB3 CYS A 26 34.904 5.253 37.684 1.00 0.00 H ATOM 347 H CYS A 26 32.883 4.740 38.742 1.00 0.00 H ATOM 348 N ASN A 27 35.598 2.935 39.700 1.00 38.15 N ATOM 349 CA ASN A 27 36.568 2.186 40.497 1.00 39.28 C ATOM 350 C ASN A 27 36.115 0.755 40.769 1.00 39.46 C ATOM 351 O ASN A 27 36.898 -0.171 40.622 1.00 39.69 O ATOM 352 CB ASN A 27 36.888 2.901 41.810 1.00 39.88 C ATOM 353 CG ASN A 27 37.636 4.182 41.596 1.00 39.90 C ATOM 354 OD1 ASN A 27 38.421 4.307 40.653 1.00 42.06 O ATOM 355 ND2 ASN A 27 37.410 5.152 42.477 1.00 43.46 N ATOM 356 HA ASN A 27 37.479 2.135 39.901 1.00 0.00 H ATOM 357 HB2 ASN A 27 35.953 3.123 42.325 1.00 0.00 H ATOM 358 HB3 ASN A 27 37.495 2.241 42.430 1.00 0.00 H ATOM 359 HD22 ASN A 27 36.739 5.000 43.257 1.00 0.00 H ATOM 360 HD21 ASN A 27 37.905 6.062 42.387 1.00 0.00 H ATOM 361 H ASN A 27 35.209 3.830 40.059 1.00 0.00 H ATOM 362 N GLN A 28 34.846 0.591 41.142 1.00 39.31 N ATOM 363 CA GLN A 28 34.288 -0.715 41.440 1.00 39.79 C ATOM 364 C GLN A 28 34.137 -1.566 40.180 1.00 38.72 C ATOM 365 O GLN A 28 34.531 -2.728 40.165 1.00 38.61 O ATOM 366 CB GLN A 28 32.930 -0.578 42.135 1.00 41.10 C ATOM 367 CG GLN A 28 32.411 -1.877 42.753 1.00 44.36 C ATOM 368 CD GLN A 28 31.348 -2.577 41.923 1.00 53.14 C ATOM 369 OE1 GLN A 28 31.561 -3.690 41.427 1.00 55.29 O ATOM 370 NE2 GLN A 28 30.179 -1.943 41.795 1.00 55.00 N ATOM 371 HA GLN A 28 34.986 -1.217 42.109 1.00 0.00 H ATOM 372 HB2 GLN A 28 33.024 0.165 42.927 1.00 0.00 H ATOM 373 HB3 GLN A 28 32.202 -0.233 41.400 1.00 0.00 H ATOM 374 HG2 GLN A 28 33.253 -2.558 42.876 1.00 0.00 H ATOM 375 HG3 GLN A 28 31.986 -1.646 43.730 1.00 0.00 H ATOM 376 HE22 GLN A 28 30.044 -1.008 42.229 1.00 0.00 H ATOM 377 HE21 GLN A 28 29.404 -2.385 41.261 1.00 0.00 H ATOM 378 H GLN A 28 34.234 1.428 41.222 1.00 0.00 H ATOM 379 N MET A 29 33.557 -0.973 39.137 1.00 37.41 N ATOM 380 CA MET A 29 33.229 -1.711 37.906 1.00 36.16 C ATOM 381 C MET A 29 34.449 -2.136 37.085 1.00 34.94 C ATOM 382 O MET A 29 34.462 -3.216 36.504 1.00 34.05 O ATOM 383 CB MET A 29 32.260 -0.900 37.026 1.00 35.39 C ATOM 384 CG MET A 29 30.857 -0.778 37.590 1.00 40.00 C ATOM 385 SD MET A 29 29.974 -2.350 37.662 1.00 49.55 S ATOM 386 CE MET A 29 30.111 -2.921 35.972 1.00 47.05 C ATOM 387 HA MET A 29 32.750 -2.632 38.239 1.00 0.00 H ATOM 388 HB2 MET A 29 32.668 0.104 36.904 1.00 0.00 H ATOM 389 HB3 MET A 29 32.196 -1.385 36.052 1.00 0.00 H ATOM 390 HG2 MET A 29 30.290 -0.091 36.961 1.00 0.00 H ATOM 391 HG3 MET A 29 30.924 -0.373 38.600 1.00 0.00 H ATOM 392 HE1 MET A 29 29.644 -2.196 35.306 1.00 0.00 H ATOM 393 HE2 MET A 29 31.164 -3.031 35.711 1.00 0.00 H ATOM 394 HE3 MET A 29 29.609 -3.883 35.873 1.00 0.00 H ATOM 395 H MET A 29 33.330 0.040 39.194 1.00 0.00 H ATOM 396 N MET A 30 35.467 -1.282 37.030 1.00 34.01 N ATOM 397 CA MET A 30 36.675 -1.595 36.258 1.00 34.35 C ATOM 398 C MET A 30 37.397 -2.784 36.884 1.00 35.21 C ATOM 399 O MET A 30 37.952 -3.622 36.189 1.00 34.79 O ATOM 400 CB MET A 30 37.616 -0.390 36.206 1.00 33.95 C ATOM 401 CG MET A 30 37.055 0.778 35.404 1.00 34.39 C ATOM 402 SD MET A 30 36.859 0.404 33.649 1.00 30.88 S ATOM 403 CE MET A 30 38.572 0.203 33.134 1.00 35.10 C ATOM 404 HA MET A 30 36.376 -1.845 35.240 1.00 0.00 H ATOM 405 HB2 MET A 30 37.803 -0.052 37.225 1.00 0.00 H ATOM 406 HB3 MET A 30 38.555 -0.703 35.751 1.00 0.00 H ATOM 407 HG2 MET A 30 37.733 1.626 35.505 1.00 0.00 H ATOM 408 HG3 MET A 30 36.080 1.044 35.813 1.00 0.00 H ATOM 409 HE1 MET A 30 39.117 1.128 33.320 1.00 0.00 H ATOM 410 HE2 MET A 30 39.028 -0.609 33.701 1.00 0.00 H ATOM 411 HE3 MET A 30 38.605 -0.032 32.070 1.00 0.00 H ATOM 412 H MET A 30 35.406 -0.379 37.542 1.00 0.00 H ATOM 413 N LYS A 31 37.386 -2.819 38.213 1.00 36.54 N ATOM 414 CA LYS A 31 37.932 -3.937 38.970 1.00 37.64 C ATOM 415 C LYS A 31 37.123 -5.219 38.764 1.00 36.77 C ATOM 416 O LYS A 31 37.679 -6.263 38.399 1.00 36.86 O ATOM 417 CB LYS A 31 37.971 -3.592 40.458 1.00 37.75 C ATOM 418 CG LYS A 31 38.830 -4.551 41.284 1.00 41.81 C ATOM 419 CD LYS A 31 39.040 -4.028 42.696 1.00 48.71 C ATOM 420 CE LYS A 31 39.605 -5.116 43.611 1.00 51.21 C ATOM 421 NZ LYS A 31 39.927 -4.611 44.989 1.00 54.69 N ATOM 422 HA LYS A 31 38.942 -4.116 38.602 1.00 0.00 H ATOM 423 HB2 LYS A 31 38.374 -2.585 40.569 1.00 0.00 H ATOM 424 HB3 LYS A 31 36.953 -3.619 40.846 1.00 0.00 H ATOM 425 HG2 LYS A 31 38.333 -5.520 41.334 1.00 0.00 H ATOM 426 HG3 LYS A 31 39.800 -4.666 40.800 1.00 0.00 H ATOM 427 HD2 LYS A 31 39.738 -3.191 42.665 1.00 0.00 H ATOM 428 HD3 LYS A 31 38.084 -3.688 43.095 1.00 0.00 H ATOM 429 HE2 LYS A 31 40.517 -5.509 43.162 1.00 0.00 H ATOM 430 HE3 LYS A 31 38.869 -5.916 43.696 1.00 0.00 H ATOM 431 HZ1 LYS A 31 40.636 -3.853 44.922 1.00 0.00 H ATOM 432 HZ2 LYS A 31 39.062 -4.241 45.432 1.00 0.00 H ATOM 433 HZ3 LYS A 31 40.306 -5.391 45.563 1.00 0.00 H ATOM 434 H LYS A 31 36.972 -2.018 38.731 1.00 0.00 H ATOM 435 N SER A 32 35.814 -5.136 38.994 1.00 36.46 N ATOM 436 CA SER A 32 34.981 -6.326 39.025 1.00 36.05 C ATOM 437 C SER A 32 34.849 -7.004 37.663 1.00 34.65 C ATOM 438 O SER A 32 34.653 -8.229 37.595 1.00 33.23 O ATOM 439 CB SER A 32 33.610 -6.042 39.634 1.00 37.13 C ATOM 440 OG SER A 32 32.950 -4.984 38.971 1.00 41.05 O ATOM 441 HA SER A 32 35.499 -7.033 39.673 1.00 0.00 H ATOM 442 HB2 SER A 32 33.738 -5.776 40.683 1.00 0.00 H ATOM 443 HB3 SER A 32 32.998 -6.941 39.561 1.00 0.00 H ATOM 444 HG SER A 32 33.497 -4.162 39.039 1.00 0.00 H ATOM 445 H SER A 32 35.381 -4.204 39.154 1.00 0.00 H ATOM 446 N ARG A 33 34.954 -6.208 36.594 1.00 33.18 N ATOM 447 CA ARG A 33 34.935 -6.726 35.212 1.00 33.81 C ATOM 448 C ARG A 33 36.305 -7.162 34.664 1.00 34.55 C ATOM 449 O ARG A 33 36.435 -7.428 33.462 1.00 34.62 O ATOM 450 CB ARG A 33 34.276 -5.721 34.252 1.00 33.14 C ATOM 451 CG ARG A 33 32.822 -5.355 34.611 1.00 29.29 C ATOM 452 CD ARG A 33 31.944 -6.597 34.594 1.00 31.39 C ATOM 453 NE ARG A 33 30.540 -6.257 34.813 1.00 34.55 N ATOM 454 CZ ARG A 33 29.710 -5.887 33.845 1.00 31.00 C ATOM 455 NH1 ARG A 33 30.143 -5.799 32.585 1.00 26.47 N ATOM 456 NH2 ARG A 33 28.453 -5.596 34.137 1.00 34.19 N ATOM 457 HA ARG A 33 34.336 -7.635 35.267 1.00 0.00 H ATOM 458 HB2 ARG A 33 34.869 -4.806 34.256 1.00 0.00 H ATOM 459 HB3 ARG A 33 34.282 -6.152 33.251 1.00 0.00 H ATOM 460 HG2 ARG A 33 32.798 -4.911 35.606 1.00 0.00 H ATOM 461 HG3 ARG A 33 32.442 -4.636 33.885 1.00 0.00 H ATOM 462 HD2 ARG A 33 32.272 -7.275 35.381 1.00 0.00 H ATOM 463 HD3 ARG A 33 32.044 -7.090 33.627 1.00 0.00 H ATOM 464 HE ARG A 33 30.169 -6.308 35.783 1.00 0.00 H ATOM 465 HH12 ARG A 33 29.490 -5.509 31.830 1.00 0.00 H ATOM 466 HH11 ARG A 33 31.134 -6.021 32.359 1.00 0.00 H ATOM 467 HH22 ARG A 33 27.798 -5.306 33.383 1.00 0.00 H ATOM 468 HH21 ARG A 33 28.120 -5.658 35.120 1.00 0.00 H ATOM 469 H ARG A 33 35.053 -5.183 36.742 1.00 0.00 H ATOM 470 N ASN A 34 37.311 -7.233 35.538 1.00 35.85 N ATOM 471 CA ASN A 34 38.662 -7.706 35.177 1.00 37.65 C ATOM 472 C ASN A 34 39.407 -6.818 34.192 1.00 38.07 C ATOM 473 O ASN A 34 40.202 -7.309 33.377 1.00 39.03 O ATOM 474 CB ASN A 34 38.612 -9.133 34.631 1.00 38.52 C ATOM 475 CG ASN A 34 38.699 -10.180 35.723 1.00 44.73 C ATOM 476 OD1 ASN A 34 38.003 -10.107 36.744 1.00 54.20 O ATOM 477 ND2 ASN A 34 39.558 -11.170 35.512 1.00 53.49 N ATOM 478 HA ASN A 34 39.224 -7.670 36.110 1.00 0.00 H ATOM 479 HB2 ASN A 34 37.674 -9.268 34.092 1.00 0.00 H ATOM 480 HB3 ASN A 34 39.447 -9.274 33.945 1.00 0.00 H ATOM 481 HD22 ASN A 34 40.123 -11.191 34.639 1.00 0.00 H ATOM 482 HD21 ASN A 34 39.666 -11.924 36.220 1.00 0.00 H ATOM 483 H ASN A 34 37.135 -6.941 36.521 1.00 0.00 H ATOM 484 N LEU A 35 39.164 -5.513 34.278 1.00 37.63 N ATOM 485 CA LEU A 35 39.770 -4.555 33.360 1.00 38.11 C ATOM 486 C LEU A 35 41.004 -3.880 33.963 1.00 39.73 C ATOM 487 O LEU A 35 41.616 -3.008 33.342 1.00 39.83 O ATOM 488 CB LEU A 35 38.734 -3.508 32.930 1.00 37.79 C ATOM 489 CG LEU A 35 37.438 -4.103 32.360 1.00 37.09 C ATOM 490 CD1 LEU A 35 36.426 -3.044 32.044 1.00 33.86 C ATOM 491 CD2 LEU A 35 37.773 -4.913 31.132 1.00 35.65 C ATOM 492 HA LEU A 35 40.106 -5.106 32.482 1.00 0.00 H ATOM 493 HB2 LEU A 35 38.479 -2.902 33.799 1.00 0.00 H ATOM 494 HB3 LEU A 35 39.185 -2.874 32.166 1.00 0.00 H ATOM 495 HG LEU A 35 36.987 -4.747 33.115 1.00 0.00 H ATOM 496 HD21 LEU A 35 38.241 -4.267 30.389 1.00 0.00 H ATOM 497 HD22 LEU A 35 38.460 -5.715 31.403 1.00 0.00 H ATOM 498 HD23 LEU A 35 36.859 -5.340 30.719 1.00 0.00 H ATOM 499 HD11 LEU A 35 36.179 -2.496 32.954 1.00 0.00 H ATOM 500 HD12 LEU A 35 36.839 -2.357 31.306 1.00 0.00 H ATOM 501 HD13 LEU A 35 35.526 -3.511 31.644 1.00 0.00 H ATOM 502 H LEU A 35 38.524 -5.166 35.021 1.00 0.00 H ATOM 503 N THR A 36 41.352 -4.267 35.183 1.00 41.52 N ATOM 504 CA THR A 36 42.548 -3.721 35.822 1.00 42.66 C ATOM 505 C THR A 36 43.535 -4.828 36.204 1.00 45.11 C ATOM 506 O THR A 36 44.489 -4.587 36.944 1.00 45.73 O ATOM 507 CB THR A 36 42.198 -2.874 37.058 1.00 41.76 C ATOM 508 OG1 THR A 36 41.556 -3.694 38.043 1.00 41.20 O ATOM 509 CG2 THR A 36 41.279 -1.695 36.679 1.00 42.50 C ATOM 510 HA THR A 36 43.026 -3.071 35.089 1.00 0.00 H ATOM 511 HB THR A 36 43.123 -2.468 37.468 1.00 0.00 H ATOM 512 HG1 THR A 36 41.334 -3.143 38.835 1.00 0.00 H ATOM 513 HG23 THR A 36 41.774 -1.077 35.930 1.00 0.00 H ATOM 514 HG21 THR A 36 40.344 -2.081 36.273 1.00 0.00 H ATOM 515 HG22 THR A 36 41.072 -1.097 37.567 1.00 0.00 H ATOM 516 H THR A 36 40.769 -4.964 35.689 1.00 0.00 H ATOM 517 N LYS A 37 43.305 -6.031 35.676 1.00 46.60 N ATOM 518 CA LYS A 37 44.073 -7.221 36.059 1.00 49.10 C ATOM 519 C LYS A 37 45.555 -7.194 35.651 1.00 49.62 C ATOM 520 O LYS A 37 46.420 -7.521 36.470 1.00 50.60 O ATOM 521 CB LYS A 37 43.391 -8.485 35.517 1.00 49.50 C ATOM 522 CG LYS A 37 43.759 -9.753 36.255 1.00 52.13 C ATOM 523 CD LYS A 37 43.075 -10.961 35.644 1.00 56.16 C ATOM 524 CE LYS A 37 43.217 -12.172 36.553 1.00 58.37 C ATOM 525 NZ LYS A 37 42.474 -13.353 36.027 1.00 59.11 N ATOM 526 HA LYS A 37 44.078 -7.228 37.149 1.00 0.00 H ATOM 527 HB2 LYS A 37 42.312 -8.349 35.588 1.00 0.00 H ATOM 528 HB3 LYS A 37 43.673 -8.604 34.471 1.00 0.00 H ATOM 529 HG2 LYS A 37 44.839 -9.893 36.206 1.00 0.00 H ATOM 530 HG3 LYS A 37 43.453 -9.660 37.297 1.00 0.00 H ATOM 531 HD2 LYS A 37 42.017 -10.741 35.503 1.00 0.00 H ATOM 532 HD3 LYS A 37 43.531 -11.181 34.679 1.00 0.00 H ATOM 533 HE2 LYS A 37 42.827 -11.920 37.539 1.00 0.00 H ATOM 534 HE3 LYS A 37 44.273 -12.428 36.636 1.00 0.00 H ATOM 535 HZ1 LYS A 37 41.463 -13.119 35.951 1.00 0.00 H ATOM 536 HZ2 LYS A 37 42.845 -13.604 35.088 1.00 0.00 H ATOM 537 HZ3 LYS A 37 42.597 -14.156 36.676 1.00 0.00 H ATOM 538 H LYS A 37 42.552 -6.129 34.965 1.00 0.00 H ATOM 539 N ASP A 38 45.833 -6.814 34.399 1.00 50.38 N ATOM 540 CA ASP A 38 47.200 -6.796 33.833 1.00 51.12 C ATOM 541 C ASP A 38 47.800 -5.396 33.707 1.00 50.64 C ATOM 542 O ASP A 38 48.981 -5.230 33.379 1.00 51.00 O ATOM 543 CB ASP A 38 47.200 -7.440 32.448 1.00 51.51 C ATOM 544 CG ASP A 38 46.816 -8.904 32.480 1.00 56.06 C ATOM 545 OD1 ASP A 38 46.686 -9.477 33.590 1.00 62.20 O ATOM 546 OD2 ASP A 38 46.649 -9.482 31.382 1.00 61.47 O ATOM 547 HA ASP A 38 47.816 -7.355 34.537 1.00 0.00 H ATOM 548 HB2 ASP A 38 46.489 -6.907 31.816 1.00 0.00 H ATOM 549 HB3 ASP A 38 48.200 -7.351 32.023 1.00 0.00 H ATOM 550 H ASP A 38 45.045 -6.515 33.790 1.00 0.00 H ATOM 551 N ARG A 39 46.959 -4.395 33.931 1.00 49.60 N ATOM 552 CA ARG A 39 47.336 -2.990 33.908 1.00 49.20 C ATOM 553 C ARG A 39 46.045 -2.229 34.123 1.00 48.53 C ATOM 554 O ARG A 39 44.963 -2.827 34.073 1.00 48.41 O ATOM 555 CB ARG A 39 47.992 -2.585 32.576 1.00 49.51 C ATOM 556 CG ARG A 39 47.055 -2.424 31.388 1.00 51.63 C ATOM 557 CD ARG A 39 47.792 -1.777 30.225 1.00 57.96 C ATOM 558 NE ARG A 39 46.894 -1.022 29.355 1.00 61.13 N ATOM 559 CZ ARG A 39 46.464 -1.437 28.166 1.00 64.31 C ATOM 560 NH1 ARG A 39 46.853 -2.608 27.675 1.00 66.95 N ATOM 561 NH2 ARG A 39 45.645 -0.673 27.460 1.00 65.11 N ATOM 562 HA ARG A 39 48.079 -2.773 34.675 1.00 0.00 H ATOM 563 HB2 ARG A 39 48.500 -1.633 32.731 1.00 0.00 H ATOM 564 HB3 ARG A 39 48.726 -3.349 32.320 1.00 0.00 H ATOM 565 HG2 ARG A 39 46.688 -3.404 31.082 1.00 0.00 H ATOM 566 HG3 ARG A 39 46.212 -1.795 31.676 1.00 0.00 H ATOM 567 HD2 ARG A 39 48.276 -2.557 29.638 1.00 0.00 H ATOM 568 HD3 ARG A 39 48.549 -1.100 30.621 1.00 0.00 H ATOM 569 HE ARG A 39 46.567 -0.093 29.689 1.00 0.00 H ATOM 570 HH12 ARG A 39 46.510 -2.921 26.745 1.00 0.00 H ATOM 571 HH11 ARG A 39 47.501 -3.212 28.221 1.00 0.00 H ATOM 572 HH22 ARG A 39 45.307 -0.994 26.530 1.00 0.00 H ATOM 573 HH21 ARG A 39 45.340 0.248 27.835 1.00 0.00 H ATOM 574 H ARG A 39 45.967 -4.629 34.136 1.00 0.00 H ATOM 575 N CYS A 40 46.145 -0.925 34.362 1.00 46.75 N ATOM 576 CA CYS A 40 44.950 -0.100 34.431 1.00 45.03 C ATOM 577 C CYS A 40 44.541 0.221 32.998 1.00 44.01 C ATOM 578 O CYS A 40 45.240 0.964 32.310 1.00 43.55 O ATOM 579 CB CYS A 40 45.210 1.195 35.210 1.00 45.14 C ATOM 580 SG CYS A 40 45.984 1.021 36.859 1.00 44.24 S ATOM 581 HA CYS A 40 44.158 -0.634 34.956 1.00 0.00 H ATOM 582 HB2 CYS A 40 44.252 1.697 35.346 1.00 0.00 H ATOM 583 HB3 CYS A 40 45.864 1.821 34.602 1.00 0.00 H ATOM 584 H CYS A 40 47.081 -0.494 34.500 1.00 0.00 H ATOM 585 N LYS A 41 43.438 -0.358 32.523 1.00 42.99 N ATOM 586 CA LYS A 41 42.915 0.081 31.233 1.00 41.54 C ATOM 587 C LYS A 41 42.636 1.575 31.394 1.00 40.85 C ATOM 588 O LYS A 41 41.932 1.966 32.324 1.00 41.77 O ATOM 589 CB LYS A 41 41.648 -0.682 30.826 1.00 41.47 C ATOM 590 CG LYS A 41 41.086 -0.241 29.478 1.00 40.22 C ATOM 591 CD LYS A 41 39.986 -1.187 28.974 1.00 42.25 C ATOM 592 CE LYS A 41 39.546 -0.798 27.559 1.00 42.64 C ATOM 593 NZ LYS A 41 38.439 -1.647 27.007 1.00 44.40 N ATOM 594 HA LYS A 41 43.631 -0.117 30.436 1.00 0.00 H ATOM 595 HB2 LYS A 41 41.886 -1.744 30.771 1.00 0.00 H ATOM 596 HB3 LYS A 41 40.886 -0.520 31.589 1.00 0.00 H ATOM 597 HG2 LYS A 41 40.669 0.761 29.581 1.00 0.00 H ATOM 598 HG3 LYS A 41 41.896 -0.222 28.748 1.00 0.00 H ATOM 599 HD2 LYS A 41 40.369 -2.208 28.963 1.00 0.00 H ATOM 600 HD3 LYS A 41 39.129 -1.129 29.645 1.00 0.00 H ATOM 601 HE2 LYS A 41 40.407 -0.885 26.896 1.00 0.00 H ATOM 602 HE3 LYS A 41 39.207 0.238 27.578 1.00 0.00 H ATOM 603 HZ1 LYS A 41 38.750 -2.639 26.970 1.00 0.00 H ATOM 604 HZ2 LYS A 41 37.603 -1.567 27.621 1.00 0.00 H ATOM 605 HZ3 LYS A 41 38.199 -1.322 26.049 1.00 0.00 H ATOM 606 H LYS A 41 42.959 -1.108 33.061 1.00 0.00 H ATOM 607 N PRO A 42 43.215 2.409 30.517 1.00 39.76 N ATOM 608 CA PRO A 42 43.154 3.863 30.690 1.00 38.99 C ATOM 609 C PRO A 42 41.768 4.484 30.470 1.00 37.76 C ATOM 610 O PRO A 42 41.427 5.448 31.160 1.00 37.80 O ATOM 611 CB PRO A 42 44.165 4.392 29.661 1.00 39.46 C ATOM 612 CG PRO A 42 44.392 3.290 28.720 1.00 39.71 C ATOM 613 CD PRO A 42 44.100 2.015 29.406 1.00 40.22 C ATOM 614 HA PRO A 42 43.380 4.132 31.722 1.00 0.00 H ATOM 615 HD3 PRO A 42 43.596 1.319 28.735 1.00 0.00 H ATOM 616 HD2 PRO A 42 45.015 1.557 29.782 1.00 0.00 H ATOM 617 HG3 PRO A 42 45.430 3.299 28.388 1.00 0.00 H ATOM 618 HG2 PRO A 42 43.735 3.402 27.858 1.00 0.00 H ATOM 619 HB2 PRO A 42 43.758 5.259 29.140 1.00 0.00 H ATOM 620 HB3 PRO A 42 45.097 4.670 30.153 1.00 0.00 H ATOM 621 N VAL A 43 40.990 3.946 29.525 1.00 35.20 N ATOM 622 CA VAL A 43 39.626 4.432 29.278 1.00 32.69 C ATOM 623 C VAL A 43 38.700 3.268 28.955 1.00 30.64 C ATOM 624 O VAL A 43 39.095 2.331 28.260 1.00 29.64 O ATOM 625 CB VAL A 43 39.521 5.398 28.067 1.00 33.89 C ATOM 626 CG1 VAL A 43 38.232 6.226 28.181 1.00 36.96 C ATOM 627 CG2 VAL A 43 40.743 6.338 27.957 1.00 35.09 C ATOM 628 HA VAL A 43 39.346 4.957 30.191 1.00 0.00 H ATOM 629 HB VAL A 43 39.499 4.791 27.162 1.00 0.00 H ATOM 630 HG11 VAL A 43 37.371 5.557 28.188 1.00 0.00 H ATOM 631 HG12 VAL A 43 38.253 6.803 29.106 1.00 0.00 H ATOM 632 HG13 VAL A 43 38.160 6.903 27.330 1.00 0.00 H ATOM 633 HG21 VAL A 43 40.820 6.939 28.863 1.00 0.00 H ATOM 634 HG22 VAL A 43 41.648 5.743 27.837 1.00 0.00 H ATOM 635 HG23 VAL A 43 40.620 6.993 27.094 1.00 0.00 H ATOM 636 H VAL A 43 41.360 3.163 28.950 1.00 0.00 H ATOM 637 N ASN A 44 37.458 3.353 29.430 1.00 28.60 N ATOM 638 CA ASN A 44 36.461 2.331 29.112 1.00 26.58 C ATOM 639 C ASN A 44 35.072 2.916 29.256 1.00 26.68 C ATOM 640 O ASN A 44 34.830 3.710 30.185 1.00 27.65 O ATOM 641 CB ASN A 44 36.580 1.138 30.055 1.00 25.74 C ATOM 642 CG ASN A 44 35.799 -0.072 29.553 1.00 28.33 C ATOM 643 OD1 ASN A 44 36.134 -0.629 28.506 1.00 32.33 O ATOM 644 ND2 ASN A 44 34.759 -0.476 30.291 1.00 26.71 N ATOM 645 HA ASN A 44 36.634 1.998 28.089 1.00 0.00 H ATOM 646 HB2 ASN A 44 37.631 0.865 30.145 1.00 0.00 H ATOM 647 HB3 ASN A 44 36.195 1.424 31.034 1.00 0.00 H ATOM 648 HD22 ASN A 44 34.516 0.028 31.168 1.00 0.00 H ATOM 649 HD21 ASN A 44 34.193 -1.294 29.988 1.00 0.00 H ATOM 650 H ASN A 44 37.194 4.157 30.035 1.00 0.00 H ATOM 651 N THR A 45 34.157 2.488 28.379 1.00 23.77 N ATOM 652 CA THR A 45 32.756 2.945 28.432 1.00 24.68 C ATOM 653 C THR A 45 31.800 1.760 28.748 1.00 23.78 C ATOM 654 O THR A 45 31.927 0.675 28.180 1.00 22.40 O ATOM 655 CB THR A 45 32.365 3.574 27.094 1.00 24.56 C ATOM 656 OG1 THR A 45 33.188 4.724 26.841 1.00 28.60 O ATOM 657 CG2 THR A 45 30.902 3.960 27.089 1.00 27.94 C ATOM 658 HA THR A 45 32.667 3.686 29.226 1.00 0.00 H ATOM 659 HB THR A 45 32.522 2.841 26.303 1.00 0.00 H ATOM 660 HG1 THR A 45 33.060 5.386 27.566 1.00 0.00 H ATOM 661 HG23 THR A 45 30.294 3.076 27.282 1.00 0.00 H ATOM 662 HG21 THR A 45 30.721 4.704 27.865 1.00 0.00 H ATOM 663 HG22 THR A 45 30.641 4.377 26.116 1.00 0.00 H ATOM 664 H THR A 45 34.442 1.814 27.639 1.00 0.00 H ATOM 665 N PHE A 46 30.871 1.992 29.679 1.00 22.99 N ATOM 666 CA PHE A 46 29.793 1.065 29.990 1.00 23.72 C ATOM 667 C PHE A 46 28.473 1.625 29.473 1.00 23.45 C ATOM 668 O PHE A 46 28.203 2.828 29.593 1.00 24.51 O ATOM 669 CB PHE A 46 29.690 0.833 31.496 1.00 24.32 C ATOM 670 CG PHE A 46 30.850 0.056 32.057 1.00 25.50 C ATOM 671 CD1 PHE A 46 30.923 -1.323 31.916 1.00 28.07 C ATOM 672 CD2 PHE A 46 31.880 0.735 32.705 1.00 23.01 C ATOM 673 CE1 PHE A 46 32.017 -2.035 32.425 1.00 30.58 C ATOM 674 CE2 PHE A 46 32.969 0.032 33.216 1.00 25.41 C ATOM 675 CZ PHE A 46 33.024 -1.346 33.083 1.00 25.82 C ATOM 676 HA PHE A 46 30.008 0.112 29.506 1.00 0.00 H ATOM 677 HB2 PHE A 46 29.648 1.802 31.994 1.00 0.00 H ATOM 678 HB3 PHE A 46 28.772 0.281 31.700 1.00 0.00 H ATOM 679 HD2 PHE A 46 31.834 1.819 32.812 1.00 0.00 H ATOM 680 HE2 PHE A 46 33.776 0.565 33.719 1.00 0.00 H ATOM 681 HZ PHE A 46 33.868 -1.894 33.500 1.00 0.00 H ATOM 682 HE1 PHE A 46 32.076 -3.117 32.305 1.00 0.00 H ATOM 683 HD1 PHE A 46 30.122 -1.857 31.405 1.00 0.00 H ATOM 684 H PHE A 46 30.921 2.884 30.211 1.00 0.00 H ATOM 685 N VAL A 47 27.657 0.738 28.932 1.00 24.47 N ATOM 686 CA VAL A 47 26.378 1.113 28.341 1.00 24.01 C ATOM 687 C VAL A 47 25.243 0.572 29.220 1.00 24.79 C ATOM 688 O VAL A 47 25.199 -0.632 29.506 1.00 25.32 O ATOM 689 CB VAL A 47 26.224 0.547 26.916 1.00 24.93 C ATOM 690 CG1 VAL A 47 24.924 1.014 26.318 1.00 23.59 C ATOM 691 CG2 VAL A 47 27.429 0.946 26.016 1.00 26.46 C ATOM 692 HA VAL A 47 26.336 2.201 28.281 1.00 0.00 H ATOM 693 HB VAL A 47 26.212 -0.541 26.975 1.00 0.00 H ATOM 694 HG11 VAL A 47 24.096 0.666 26.935 1.00 0.00 H ATOM 695 HG12 VAL A 47 24.915 2.103 26.276 1.00 0.00 H ATOM 696 HG13 VAL A 47 24.823 0.610 25.311 1.00 0.00 H ATOM 697 HG21 VAL A 47 27.490 2.032 25.954 1.00 0.00 H ATOM 698 HG22 VAL A 47 28.349 0.553 26.448 1.00 0.00 H ATOM 699 HG23 VAL A 47 27.289 0.531 25.018 1.00 0.00 H ATOM 700 H VAL A 47 27.937 -0.264 28.928 1.00 0.00 H ATOM 701 N HIS A 48 24.343 1.469 29.632 1.00 27.11 N ATOM 702 CA HIS A 48 23.204 1.126 30.510 1.00 28.15 C ATOM 703 C HIS A 48 21.928 0.998 29.717 1.00 29.13 C ATOM 704 O HIS A 48 20.998 1.841 29.829 1.00 31.29 O ATOM 705 CB HIS A 48 23.028 2.185 31.605 1.00 29.71 C ATOM 706 CG HIS A 48 24.301 2.540 32.303 1.00 30.24 C ATOM 707 ND1 HIS A 48 25.020 1.630 33.048 1.00 36.45 N ATOM 708 CD2 HIS A 48 24.992 3.701 32.358 1.00 32.60 C ATOM 709 CE1 HIS A 48 26.091 2.220 33.546 1.00 36.01 C ATOM 710 NE2 HIS A 48 26.096 3.478 33.142 1.00 34.93 N ATOM 711 HA HIS A 48 23.423 0.165 30.975 1.00 0.00 H ATOM 712 HB2 HIS A 48 22.621 3.088 31.150 1.00 0.00 H ATOM 713 HB3 HIS A 48 22.324 1.803 32.344 1.00 0.00 H ATOM 714 HD2 HIS A 48 24.723 4.638 31.871 1.00 0.00 H ATOM 715 HE1 HIS A 48 26.842 1.750 34.181 1.00 0.00 H ATOM 716 H HIS A 48 24.449 2.456 29.320 1.00 0.00 H ATOM 717 N GLU A 49 21.890 -0.029 28.880 1.00 26.97 N ATOM 718 CA GLU A 49 20.735 -0.327 28.051 1.00 28.34 C ATOM 719 C GLU A 49 20.650 -1.833 28.028 1.00 26.99 C ATOM 720 O GLU A 49 21.601 -2.508 28.435 1.00 28.44 O ATOM 721 CB GLU A 49 20.898 0.225 26.619 1.00 27.83 C ATOM 722 CG GLU A 49 21.102 1.749 26.500 1.00 30.19 C ATOM 723 CD GLU A 49 19.890 2.596 26.937 1.00 32.66 C ATOM 724 OE1 GLU A 49 18.768 2.067 27.064 1.00 35.69 O ATOM 725 OE2 GLU A 49 20.073 3.811 27.165 1.00 31.15 O ATOM 726 HA GLU A 49 19.833 0.138 28.449 1.00 0.00 H ATOM 727 HB2 GLU A 49 21.763 -0.263 26.170 1.00 0.00 H ATOM 728 HB3 GLU A 49 20.002 -0.036 26.057 1.00 0.00 H ATOM 729 HG2 GLU A 49 21.953 2.028 27.121 1.00 0.00 H ATOM 730 HG3 GLU A 49 21.322 1.982 25.458 1.00 0.00 H ATOM 731 H GLU A 49 22.723 -0.648 28.814 1.00 0.00 H ATOM 732 N SER A 50 19.521 -2.383 27.586 1.00 27.27 N ATOM 733 CA SER A 50 19.415 -3.846 27.531 1.00 26.38 C ATOM 734 C SER A 50 20.343 -4.395 26.448 1.00 27.15 C ATOM 735 O SER A 50 20.681 -3.681 25.484 1.00 25.56 O ATOM 736 CB SER A 50 17.996 -4.276 27.211 1.00 27.98 C ATOM 737 OG SER A 50 17.622 -3.909 25.887 1.00 29.21 O ATOM 738 HA SER A 50 19.698 -4.238 28.508 1.00 0.00 H ATOM 739 HB2 SER A 50 17.315 -3.800 27.916 1.00 0.00 H ATOM 740 HB3 SER A 50 17.923 -5.359 27.312 1.00 0.00 H ATOM 741 HG SER A 50 16.693 -4.205 25.714 1.00 0.00 H ATOM 742 H SER A 50 18.726 -1.785 27.284 1.00 0.00 H ATOM 743 N LEU A 51 20.722 -5.665 26.579 1.00 26.21 N ATOM 744 CA LEU A 51 21.544 -6.301 25.556 1.00 27.20 C ATOM 745 C LEU A 51 20.864 -6.260 24.193 1.00 27.35 C ATOM 746 O LEU A 51 21.527 -6.040 23.164 1.00 25.17 O ATOM 747 CB LEU A 51 21.848 -7.758 25.922 1.00 27.87 C ATOM 748 CG LEU A 51 22.805 -8.518 25.029 1.00 32.06 C ATOM 749 CD1 LEU A 51 24.158 -7.803 24.972 1.00 28.78 C ATOM 750 CD2 LEU A 51 22.946 -9.936 25.581 1.00 30.83 C ATOM 751 HA LEU A 51 22.477 -5.740 25.503 1.00 0.00 H ATOM 752 HB2 LEU A 51 22.267 -7.761 26.928 1.00 0.00 H ATOM 753 HB3 LEU A 51 20.902 -8.299 25.922 1.00 0.00 H ATOM 754 HG LEU A 51 22.422 -8.564 24.010 1.00 0.00 H ATOM 755 HD21 LEU A 51 23.336 -9.892 26.598 1.00 0.00 H ATOM 756 HD22 LEU A 51 21.970 -10.421 25.585 1.00 0.00 H ATOM 757 HD23 LEU A 51 23.632 -10.503 24.952 1.00 0.00 H ATOM 758 HD11 LEU A 51 24.020 -6.798 24.574 1.00 0.00 H ATOM 759 HD12 LEU A 51 24.578 -7.743 25.976 1.00 0.00 H ATOM 760 HD13 LEU A 51 24.836 -8.361 24.326 1.00 0.00 H ATOM 761 H LEU A 51 20.430 -6.207 27.417 1.00 0.00 H ATOM 762 N ALA A 52 19.545 -6.488 24.156 1.00 27.35 N ATOM 763 CA ALA A 52 18.846 -6.503 22.882 1.00 27.24 C ATOM 764 C ALA A 52 18.954 -5.155 22.165 1.00 25.53 C ATOM 765 O ALA A 52 19.163 -5.126 20.937 1.00 25.96 O ATOM 766 CB ALA A 52 17.349 -6.935 23.057 1.00 27.28 C ATOM 767 HA ALA A 52 19.334 -7.248 22.253 1.00 0.00 H ATOM 768 HB1 ALA A 52 17.309 -7.936 23.486 1.00 0.00 H ATOM 769 HB2 ALA A 52 16.845 -6.233 23.721 1.00 0.00 H ATOM 770 HB3 ALA A 52 16.856 -6.935 22.085 1.00 0.00 H ATOM 771 H ALA A 52 19.021 -6.654 25.039 1.00 0.00 H ATOM 772 N ASP A 53 18.864 -4.054 22.917 1.00 24.42 N ATOM 773 CA ASP A 53 18.910 -2.728 22.338 1.00 24.61 C ATOM 774 C ASP A 53 20.324 -2.446 21.775 1.00 24.14 C ATOM 775 O ASP A 53 20.457 -1.831 20.723 1.00 25.10 O ATOM 776 CB ASP A 53 18.500 -1.668 23.360 1.00 26.17 C ATOM 777 CG ASP A 53 16.990 -1.603 23.554 1.00 29.63 C ATOM 778 OD1 ASP A 53 16.271 -2.325 22.835 1.00 34.45 O ATOM 779 OD2 ASP A 53 16.544 -0.825 24.422 1.00 36.01 O ATOM 780 HA ASP A 53 18.195 -2.681 21.517 1.00 0.00 H ATOM 781 HB2 ASP A 53 18.966 -1.904 24.316 1.00 0.00 H ATOM 782 HB3 ASP A 53 18.851 -0.695 23.016 1.00 0.00 H ATOM 783 H ASP A 53 18.758 -4.153 23.947 1.00 0.00 H ATOM 784 N VAL A 54 21.357 -2.943 22.454 1.00 25.04 N ATOM 785 CA VAL A 54 22.740 -2.707 21.980 1.00 23.04 C ATOM 786 C VAL A 54 23.030 -3.632 20.784 1.00 21.60 C ATOM 787 O VAL A 54 23.617 -3.218 19.777 1.00 19.90 O ATOM 788 CB VAL A 54 23.766 -2.875 23.117 1.00 25.61 C ATOM 789 CG1 VAL A 54 25.217 -2.746 22.583 1.00 21.08 C ATOM 790 CG2 VAL A 54 23.522 -1.809 24.185 1.00 25.41 C ATOM 791 HA VAL A 54 22.835 -1.674 21.646 1.00 0.00 H ATOM 792 HB VAL A 54 23.643 -3.870 23.546 1.00 0.00 H ATOM 793 HG11 VAL A 54 25.397 -3.517 21.833 1.00 0.00 H ATOM 794 HG12 VAL A 54 25.351 -1.762 22.134 1.00 0.00 H ATOM 795 HG13 VAL A 54 25.919 -2.869 23.408 1.00 0.00 H ATOM 796 HG21 VAL A 54 23.630 -0.820 23.740 1.00 0.00 H ATOM 797 HG22 VAL A 54 22.514 -1.921 24.585 1.00 0.00 H ATOM 798 HG23 VAL A 54 24.248 -1.929 24.989 1.00 0.00 H ATOM 799 H VAL A 54 21.192 -3.498 23.318 1.00 0.00 H ATOM 800 N GLN A 55 22.601 -4.893 20.863 1.00 21.20 N ATOM 801 CA GLN A 55 22.749 -5.763 19.682 1.00 21.10 C ATOM 802 C GLN A 55 22.035 -5.201 18.424 1.00 21.10 C ATOM 803 O GLN A 55 22.535 -5.369 17.269 1.00 21.61 O ATOM 804 CB GLN A 55 22.275 -7.192 20.013 1.00 21.76 C ATOM 805 CG GLN A 55 23.167 -7.913 21.042 1.00 22.73 C ATOM 806 CD GLN A 55 22.556 -9.260 21.440 1.00 30.75 C ATOM 807 OE1 GLN A 55 21.359 -9.466 21.272 1.00 34.26 O ATOM 808 NE2 GLN A 55 23.374 -10.168 21.956 1.00 30.86 N ATOM 809 HA GLN A 55 23.809 -5.794 19.431 1.00 0.00 H ATOM 810 HB2 GLN A 55 21.263 -7.136 20.413 1.00 0.00 H ATOM 811 HB3 GLN A 55 22.269 -7.776 19.092 1.00 0.00 H ATOM 812 HG2 GLN A 55 24.152 -8.081 20.606 1.00 0.00 H ATOM 813 HG3 GLN A 55 23.266 -7.288 21.930 1.00 0.00 H ATOM 814 HE22 GLN A 55 24.383 -9.948 22.080 1.00 0.00 H ATOM 815 HE21 GLN A 55 23.006 -11.100 22.237 1.00 0.00 H ATOM 816 H GLN A 55 22.172 -5.254 21.739 1.00 0.00 H ATOM 817 N ALA A 56 20.913 -4.496 18.614 1.00 20.26 N ATOM 818 CA ALA A 56 20.137 -3.919 17.512 1.00 21.20 C ATOM 819 C ALA A 56 20.919 -2.843 16.720 1.00 19.85 C ATOM 820 O ALA A 56 20.603 -2.575 15.565 1.00 20.37 O ATOM 821 CB ALA A 56 18.862 -3.318 18.043 1.00 22.69 C ATOM 822 HA ALA A 56 19.918 -4.734 16.822 1.00 0.00 H ATOM 823 HB1 ALA A 56 18.272 -4.094 18.532 1.00 0.00 H ATOM 824 HB2 ALA A 56 19.103 -2.535 18.763 1.00 0.00 H ATOM 825 HB3 ALA A 56 18.292 -2.892 17.218 1.00 0.00 H ATOM 826 H ALA A 56 20.577 -4.351 19.587 1.00 0.00 H ATOM 827 N VAL A 57 21.940 -2.284 17.348 1.00 19.60 N ATOM 828 CA VAL A 57 22.740 -1.215 16.739 1.00 19.43 C ATOM 829 C VAL A 57 23.488 -1.781 15.509 1.00 18.33 C ATOM 830 O VAL A 57 23.782 -1.041 14.569 1.00 18.16 O ATOM 831 CB VAL A 57 23.719 -0.553 17.770 1.00 18.15 C ATOM 832 CG1 VAL A 57 24.604 0.516 17.097 1.00 18.29 C ATOM 833 CG2 VAL A 57 22.938 0.092 18.952 1.00 19.60 C ATOM 834 HA VAL A 57 22.073 -0.418 16.410 1.00 0.00 H ATOM 835 HB VAL A 57 24.358 -1.346 18.157 1.00 0.00 H ATOM 836 HG11 VAL A 57 25.194 0.052 16.307 1.00 0.00 H ATOM 837 HG12 VAL A 57 23.971 1.294 16.671 1.00 0.00 H ATOM 838 HG13 VAL A 57 25.270 0.954 17.840 1.00 0.00 H ATOM 839 HG21 VAL A 57 22.267 0.859 18.566 1.00 0.00 H ATOM 840 HG22 VAL A 57 22.358 -0.676 19.465 1.00 0.00 H ATOM 841 HG23 VAL A 57 23.644 0.543 19.650 1.00 0.00 H ATOM 842 H VAL A 57 22.184 -2.613 18.304 1.00 0.00 H ATOM 843 N CYS A 58 23.712 -3.096 15.491 1.00 18.05 N ATOM 844 CA CYS A 58 24.353 -3.737 14.306 1.00 19.67 C ATOM 845 C CYS A 58 23.512 -3.682 13.020 1.00 20.08 C ATOM 846 O CYS A 58 24.031 -4.025 11.955 1.00 21.31 O ATOM 847 CB CYS A 58 24.797 -5.194 14.605 1.00 21.67 C ATOM 848 SG CYS A 58 25.977 -5.408 15.931 1.00 20.46 S ATOM 849 HA CYS A 58 25.238 -3.131 14.113 1.00 0.00 H ATOM 850 HB2 CYS A 58 25.242 -5.599 13.696 1.00 0.00 H ATOM 851 HB3 CYS A 58 23.905 -5.768 14.858 1.00 0.00 H ATOM 852 H CYS A 58 23.438 -3.678 16.308 1.00 0.00 H ATOM 853 N SER A 59 22.231 -3.256 13.097 1.00 20.58 N ATOM 854 CA SER A 59 21.413 -3.014 11.915 1.00 21.69 C ATOM 855 C SER A 59 21.022 -1.543 11.729 1.00 20.88 C ATOM 856 O SER A 59 20.156 -1.214 10.934 1.00 21.03 O ATOM 857 CB SER A 59 20.183 -3.919 11.943 1.00 22.97 C ATOM 858 OG SER A 59 19.650 -3.999 13.235 1.00 25.07 O ATOM 859 HA SER A 59 22.025 -3.260 11.047 1.00 0.00 H ATOM 860 HB2 SER A 59 20.467 -4.918 11.611 1.00 0.00 H ATOM 861 HB3 SER A 59 19.427 -3.515 11.269 1.00 0.00 H ATOM 862 HG SER A 59 19.387 -3.094 13.539 1.00 0.00 H ATOM 863 H SER A 59 21.813 -3.095 14.036 1.00 0.00 H ATOM 864 N GLN A 60 21.732 -0.662 12.439 1.00 18.32 N ATOM 865 CA GLN A 60 21.470 0.776 12.394 1.00 17.43 C ATOM 866 C GLN A 60 22.456 1.488 11.462 1.00 18.44 C ATOM 867 O GLN A 60 22.718 0.954 10.400 1.00 19.37 O ATOM 868 CB GLN A 60 21.382 1.348 13.821 1.00 17.45 C ATOM 869 CG GLN A 60 20.137 0.718 14.477 1.00 18.46 C ATOM 870 CD GLN A 60 19.876 1.108 15.917 1.00 20.41 C ATOM 871 OE1 GLN A 60 20.252 2.190 16.372 1.00 23.08 O ATOM 872 NE2 GLN A 60 19.199 0.218 16.646 1.00 25.18 N ATOM 873 HA GLN A 60 20.493 0.964 11.948 1.00 0.00 H ATOM 874 HB2 GLN A 60 22.277 1.087 14.386 1.00 0.00 H ATOM 875 HB3 GLN A 60 21.280 2.433 13.785 1.00 0.00 H ATOM 876 HG2 GLN A 60 19.267 1.009 13.889 1.00 0.00 H ATOM 877 HG3 GLN A 60 20.252 -0.365 14.440 1.00 0.00 H ATOM 878 HE22 GLN A 60 18.901 -0.683 16.221 1.00 0.00 H ATOM 879 HE21 GLN A 60 18.969 0.426 17.639 1.00 0.00 H ATOM 880 H GLN A 60 22.500 -1.012 13.047 1.00 0.00 H ATOM 881 N LYS A 61 22.917 2.697 11.803 1.00 19.28 N ATOM 882 CA LYS A 61 23.568 3.536 10.777 1.00 19.21 C ATOM 883 C LYS A 61 25.003 3.116 10.514 1.00 19.79 C ATOM 884 O LYS A 61 25.813 3.218 11.377 1.00 20.66 O ATOM 885 CB LYS A 61 23.552 5.004 11.200 1.00 19.78 C ATOM 886 CG LYS A 61 24.188 5.880 10.159 1.00 23.45 C ATOM 887 CD LYS A 61 24.137 7.298 10.644 1.00 28.20 C ATOM 888 CE LYS A 61 24.931 8.202 9.746 1.00 34.93 C ATOM 889 NZ LYS A 61 24.727 9.606 10.177 1.00 44.02 N ATOM 890 HA LYS A 61 22.999 3.402 9.857 1.00 0.00 H ATOM 891 HB2 LYS A 61 22.519 5.320 11.347 1.00 0.00 H ATOM 892 HB3 LYS A 61 24.100 5.110 12.136 1.00 0.00 H ATOM 893 HG2 LYS A 61 25.224 5.579 10.006 1.00 0.00 H ATOM 894 HG3 LYS A 61 23.643 5.792 9.219 1.00 0.00 H ATOM 895 HD2 LYS A 61 23.100 7.633 10.660 1.00 0.00 H ATOM 896 HD3 LYS A 61 24.549 7.345 11.652 1.00 0.00 H ATOM 897 HE2 LYS A 61 24.595 8.082 8.716 1.00 0.00 H ATOM 898 HE3 LYS A 61 25.989 7.948 9.813 1.00 0.00 H ATOM 899 HZ1 LYS A 61 23.717 9.844 10.112 1.00 0.00 H ATOM 900 HZ2 LYS A 61 25.048 9.716 11.160 1.00 0.00 H ATOM 901 HZ3 LYS A 61 25.274 10.240 9.560 1.00 0.00 H ATOM 902 H LYS A 61 22.818 3.042 12.779 1.00 0.00 H ATOM 903 N ASN A 62 25.297 2.652 9.304 1.00 20.91 N ATOM 904 CA ASN A 62 26.648 2.183 9.023 1.00 20.56 C ATOM 905 C ASN A 62 27.588 3.405 8.893 1.00 21.50 C ATOM 906 O ASN A 62 27.271 4.376 8.161 1.00 23.01 O ATOM 907 CB ASN A 62 26.618 1.333 7.732 1.00 22.15 C ATOM 908 CG ASN A 62 27.943 0.684 7.408 1.00 24.61 C ATOM 909 OD1 ASN A 62 28.276 0.542 6.224 1.00 34.66 O ATOM 910 ND2 ASN A 62 28.684 0.246 8.415 1.00 24.11 N ATOM 911 HA ASN A 62 27.025 1.557 9.832 1.00 0.00 H ATOM 912 HB2 ASN A 62 25.870 0.550 7.851 1.00 0.00 H ATOM 913 HB3 ASN A 62 26.337 1.978 6.900 1.00 0.00 H ATOM 914 HD22 ASN A 62 28.365 0.387 9.395 1.00 0.00 H ATOM 915 HD21 ASN A 62 29.584 -0.239 8.226 1.00 0.00 H ATOM 916 H ASN A 62 24.568 2.624 8.563 1.00 0.00 H ATOM 917 N VAL A 63 28.695 3.377 9.636 1.00 19.70 N ATOM 918 CA VAL A 63 29.689 4.459 9.633 1.00 19.03 C ATOM 919 C VAL A 63 31.097 3.896 9.574 1.00 20.71 C ATOM 920 O VAL A 63 31.311 2.718 9.873 1.00 20.08 O ATOM 921 CB VAL A 63 29.548 5.363 10.856 1.00 18.99 C ATOM 922 CG1 VAL A 63 28.177 6.058 10.807 1.00 19.65 C ATOM 923 CG2 VAL A 63 29.778 4.604 12.177 1.00 20.17 C ATOM 924 HA VAL A 63 29.504 5.060 8.743 1.00 0.00 H ATOM 925 HB VAL A 63 30.329 6.123 10.826 1.00 0.00 H ATOM 926 HG11 VAL A 63 28.106 6.654 9.897 1.00 0.00 H ATOM 927 HG12 VAL A 63 27.389 5.305 10.812 1.00 0.00 H ATOM 928 HG13 VAL A 63 28.068 6.706 11.677 1.00 0.00 H ATOM 929 HG21 VAL A 63 29.046 3.801 12.265 1.00 0.00 H ATOM 930 HG22 VAL A 63 30.784 4.183 12.183 1.00 0.00 H ATOM 931 HG23 VAL A 63 29.666 5.293 13.014 1.00 0.00 H ATOM 932 H VAL A 63 28.862 2.551 10.246 1.00 0.00 H ATOM 933 N ALA A 64 32.045 4.706 9.119 1.00 20.02 N ATOM 934 CA ALA A 64 33.429 4.200 9.078 1.00 20.84 C ATOM 935 C ALA A 64 33.979 4.005 10.484 1.00 19.68 C ATOM 936 O ALA A 64 33.755 4.819 11.390 1.00 20.43 O ATOM 937 CB ALA A 64 34.341 5.153 8.226 1.00 23.03 C ATOM 938 HA ALA A 64 33.425 3.224 8.593 1.00 0.00 H ATOM 939 HB1 ALA A 64 33.955 5.209 7.208 1.00 0.00 H ATOM 940 HB2 ALA A 64 34.341 6.148 8.672 1.00 0.00 H ATOM 941 HB3 ALA A 64 35.358 4.761 8.209 1.00 0.00 H ATOM 942 H ALA A 64 31.818 5.670 8.801 1.00 0.00 H ATOM 943 N CYS A 65 34.719 2.914 10.674 1.00 19.55 N ATOM 944 CA CYS A 65 35.357 2.663 11.945 1.00 19.42 C ATOM 945 C CYS A 65 36.650 3.490 12.043 1.00 18.79 C ATOM 946 O CYS A 65 37.251 3.828 11.012 1.00 19.52 O ATOM 947 CB CYS A 65 35.768 1.202 12.076 1.00 18.52 C ATOM 948 SG CYS A 65 34.452 0.062 11.958 1.00 21.16 S ATOM 949 HA CYS A 65 34.643 2.927 12.725 1.00 0.00 H ATOM 950 HB2 CYS A 65 36.247 1.069 13.046 1.00 0.00 H ATOM 951 HB3 CYS A 65 36.484 0.978 11.285 1.00 0.00 H ATOM 952 H CYS A 65 34.839 2.234 9.897 1.00 0.00 H ATOM 953 N LYS A 66 37.069 3.762 13.269 1.00 18.09 N ATOM 954 CA LYS A 66 38.370 4.466 13.529 1.00 19.65 C ATOM 955 C LYS A 66 39.565 3.769 12.878 1.00 23.19 C ATOM 956 O LYS A 66 40.531 4.430 12.495 1.00 25.35 O ATOM 957 CB LYS A 66 38.622 4.610 15.030 1.00 21.61 C ATOM 958 CG LYS A 66 37.849 5.754 15.667 1.00 23.88 C ATOM 959 CD LYS A 66 37.998 5.768 17.160 1.00 30.27 C ATOM 960 CE LYS A 66 37.260 6.975 17.755 1.00 39.29 C ATOM 961 NZ LYS A 66 37.295 7.018 19.263 1.00 40.38 N ATOM 962 HA LYS A 66 38.275 5.452 13.074 1.00 0.00 H ATOM 963 HB2 LYS A 66 38.330 3.681 15.520 1.00 0.00 H ATOM 964 HB3 LYS A 66 39.687 4.783 15.186 1.00 0.00 H ATOM 965 HG2 LYS A 66 38.221 6.697 15.267 1.00 0.00 H ATOM 966 HG3 LYS A 66 36.793 5.647 15.419 1.00 0.00 H ATOM 967 HD2 LYS A 66 37.579 4.850 17.573 1.00 0.00 H ATOM 968 HD3 LYS A 66 39.056 5.830 17.416 1.00 0.00 H ATOM 969 HE2 LYS A 66 36.219 6.935 17.435 1.00 0.00 H ATOM 970 HE3 LYS A 66 37.722 7.885 17.373 1.00 0.00 H ATOM 971 HZ1 LYS A 66 36.847 6.160 19.644 1.00 0.00 H ATOM 972 HZ2 LYS A 66 38.283 7.067 19.584 1.00 0.00 H ATOM 973 HZ3 LYS A 66 36.779 7.857 19.597 1.00 0.00 H ATOM 974 H LYS A 66 36.479 3.479 14.077 1.00 0.00 H ATOM 975 N ASN A 67 39.503 2.444 12.754 1.00 23.25 N ATOM 976 CA ASN A 67 40.616 1.687 12.127 1.00 24.56 C ATOM 977 C ASN A 67 40.504 1.573 10.600 1.00 24.45 C ATOM 978 O ASN A 67 41.320 0.885 9.935 1.00 26.34 O ATOM 979 CB ASN A 67 40.747 0.299 12.794 1.00 25.65 C ATOM 980 CG ASN A 67 39.744 -0.707 12.293 1.00 24.70 C ATOM 981 OD1 ASN A 67 38.741 -0.366 11.687 1.00 21.54 O ATOM 982 ND2 ASN A 67 40.027 -2.015 12.556 1.00 29.12 N ATOM 983 HA ASN A 67 41.528 2.259 12.301 1.00 0.00 H ATOM 984 HB2 ASN A 67 41.748 -0.085 12.598 1.00 0.00 H ATOM 985 HB3 ASN A 67 40.609 0.418 13.869 1.00 0.00 H ATOM 986 HD22 ASN A 67 40.892 -2.266 13.076 1.00 0.00 H ATOM 987 HD21 ASN A 67 39.377 -2.762 12.237 1.00 0.00 H ATOM 988 H ASN A 67 38.665 1.934 13.100 1.00 0.00 H ATOM 989 N GLY A 68 39.492 2.213 10.024 1.00 22.59 N ATOM 990 CA GLY A 68 39.276 2.146 8.588 1.00 22.25 C ATOM 991 C GLY A 68 38.393 1.037 8.037 1.00 21.90 C ATOM 992 O GLY A 68 38.027 1.070 6.870 1.00 24.44 O ATOM 993 HA3 GLY A 68 40.255 2.041 8.120 1.00 0.00 H ATOM 994 HA2 GLY A 68 38.830 3.093 8.285 1.00 0.00 H ATOM 995 H GLY A 68 38.842 2.773 10.612 1.00 0.00 H ATOM 996 N GLN A 69 38.007 0.065 8.874 1.00 21.91 N ATOM 997 CA GLN A 69 37.059 -0.956 8.441 1.00 22.71 C ATOM 998 C GLN A 69 35.658 -0.354 8.321 1.00 23.19 C ATOM 999 O GLN A 69 35.426 0.755 8.822 1.00 23.92 O ATOM 1000 CB GLN A 69 37.058 -2.114 9.428 1.00 23.29 C ATOM 1001 CG GLN A 69 38.211 -3.063 9.259 1.00 29.80 C ATOM 1002 CD GLN A 69 37.965 -4.332 10.048 1.00 30.64 C ATOM 1003 OE1 GLN A 69 38.401 -4.435 11.182 1.00 27.93 O ATOM 1004 NE2 GLN A 69 37.230 -5.279 9.468 1.00 36.35 N ATOM 1005 HA GLN A 69 37.360 -1.331 7.463 1.00 0.00 H ATOM 1006 HB2 GLN A 69 37.096 -1.704 10.437 1.00 0.00 H ATOM 1007 HB3 GLN A 69 36.132 -2.674 9.299 1.00 0.00 H ATOM 1008 HG2 GLN A 69 38.322 -3.311 8.203 1.00 0.00 H ATOM 1009 HG3 GLN A 69 39.124 -2.588 9.617 1.00 0.00 H ATOM 1010 HE22 GLN A 69 36.881 -5.145 8.498 1.00 0.00 H ATOM 1011 HE21 GLN A 69 37.005 -6.153 9.985 1.00 0.00 H ATOM 1012 H GLN A 69 38.387 0.038 9.842 1.00 0.00 H ATOM 1013 N THR A 70 34.752 -1.046 7.639 1.00 21.68 N ATOM 1014 CA THR A 70 33.423 -0.519 7.383 1.00 24.62 C ATOM 1015 C THR A 70 32.344 -1.216 8.213 1.00 23.53 C ATOM 1016 O THR A 70 31.161 -1.095 7.870 1.00 25.28 O ATOM 1017 CB THR A 70 33.031 -0.671 5.890 1.00 26.83 C ATOM 1018 OG1 THR A 70 32.913 -2.071 5.581 1.00 36.10 O ATOM 1019 CG2 THR A 70 34.086 -0.036 5.014 1.00 32.79 C ATOM 1020 HA THR A 70 33.473 0.533 7.663 1.00 0.00 H ATOM 1021 HB THR A 70 32.079 -0.173 5.706 1.00 0.00 H ATOM 1022 HG1 THR A 70 32.215 -2.477 6.154 1.00 0.00 H ATOM 1023 HG23 THR A 70 34.168 1.024 5.256 1.00 0.00 H ATOM 1024 HG21 THR A 70 35.044 -0.525 5.189 1.00 0.00 H ATOM 1025 HG22 THR A 70 33.804 -0.151 3.967 1.00 0.00 H ATOM 1026 H THR A 70 35.001 -1.989 7.279 1.00 0.00 H ATOM 1027 N ASN A 71 32.735 -1.922 9.286 1.00 19.31 N ATOM 1028 CA ASN A 71 31.766 -2.754 10.038 1.00 17.05 C ATOM 1029 C ASN A 71 31.346 -2.063 11.337 1.00 19.24 C ATOM 1030 O ASN A 71 31.086 -2.711 12.332 1.00 18.11 O ATOM 1031 CB ASN A 71 32.326 -4.170 10.341 1.00 17.98 C ATOM 1032 CG ASN A 71 33.547 -4.142 11.227 1.00 18.19 C ATOM 1033 OD1 ASN A 71 34.449 -3.322 11.037 1.00 22.09 O ATOM 1034 ND2 ASN A 71 33.609 -5.053 12.202 1.00 19.03 N ATOM 1035 HA ASN A 71 30.889 -2.874 9.402 1.00 0.00 H ATOM 1036 HB2 ASN A 71 31.550 -4.753 10.837 1.00 0.00 H ATOM 1037 HB3 ASN A 71 32.591 -4.648 9.398 1.00 0.00 H ATOM 1038 HD22 ASN A 71 32.829 -5.729 12.333 1.00 0.00 H ATOM 1039 HD21 ASN A 71 34.437 -5.086 12.831 1.00 0.00 H ATOM 1040 H ASN A 71 33.728 -1.885 9.593 1.00 0.00 H ATOM 1041 N CYS A 72 31.298 -0.726 11.308 1.00 16.36 N ATOM 1042 CA CYS A 72 30.807 0.041 12.475 1.00 15.86 C ATOM 1043 C CYS A 72 29.425 0.638 12.245 1.00 13.99 C ATOM 1044 O CYS A 72 29.027 0.896 11.123 1.00 16.17 O ATOM 1045 CB CYS A 72 31.787 1.162 12.860 1.00 16.41 C ATOM 1046 SG CYS A 72 33.305 0.433 13.573 1.00 19.89 S ATOM 1047 HA CYS A 72 30.734 -0.675 13.294 1.00 0.00 H ATOM 1048 HB2 CYS A 72 31.319 1.817 13.595 1.00 0.00 H ATOM 1049 HB3 CYS A 72 32.044 1.740 11.972 1.00 0.00 H ATOM 1050 H CYS A 72 31.610 -0.219 10.455 1.00 0.00 H ATOM 1051 N TYR A 73 28.699 0.781 13.353 1.00 15.28 N ATOM 1052 CA TYR A 73 27.282 1.214 13.301 1.00 16.59 C ATOM 1053 C TYR A 73 27.065 2.140 14.434 1.00 16.63 C ATOM 1054 O TYR A 73 27.531 1.881 15.572 1.00 16.59 O ATOM 1055 CB TYR A 73 26.352 -0.009 13.455 1.00 18.64 C ATOM 1056 CG TYR A 73 26.606 -1.001 12.339 1.00 17.72 C ATOM 1057 CD1 TYR A 73 27.635 -1.962 12.464 1.00 18.89 C ATOM 1058 CD2 TYR A 73 25.903 -0.915 11.154 1.00 23.91 C ATOM 1059 CE1 TYR A 73 27.923 -2.822 11.393 1.00 19.78 C ATOM 1060 CE2 TYR A 73 26.156 -1.775 10.109 1.00 21.85 C ATOM 1061 CZ TYR A 73 27.165 -2.727 10.251 1.00 19.10 C ATOM 1062 OH TYR A 73 27.476 -3.579 9.226 1.00 24.40 O ATOM 1063 HA TYR A 73 27.063 1.698 12.349 1.00 0.00 H ATOM 1064 HB3 TYR A 73 25.314 0.320 13.415 1.00 0.00 H ATOM 1065 HB2 TYR A 73 26.543 -0.489 14.415 1.00 0.00 H ATOM 1066 HD2 TYR A 73 25.133 -0.152 11.044 1.00 0.00 H ATOM 1067 HE2 TYR A 73 25.578 -1.713 9.187 1.00 0.00 H ATOM 1068 HE1 TYR A 73 28.731 -3.550 11.466 1.00 0.00 H ATOM 1069 HD1 TYR A 73 28.204 -2.035 13.391 1.00 0.00 H ATOM 1070 HH TYR A 73 28.211 -4.179 9.509 1.00 0.00 H ATOM 1071 H TYR A 73 29.136 0.584 14.276 1.00 0.00 H ATOM 1072 N GLN A 74 26.351 3.216 14.127 1.00 17.84 N ATOM 1073 CA GLN A 74 26.022 4.258 15.103 1.00 17.30 C ATOM 1074 C GLN A 74 24.522 4.146 15.487 1.00 18.51 C ATOM 1075 O GLN A 74 23.672 3.979 14.622 1.00 18.75 O ATOM 1076 CB GLN A 74 26.325 5.615 14.474 1.00 17.13 C ATOM 1077 CG GLN A 74 26.087 6.781 15.428 1.00 19.99 C ATOM 1078 CD GLN A 74 26.477 8.118 14.792 1.00 28.45 C ATOM 1079 OE1 GLN A 74 27.616 8.299 14.352 1.00 33.66 O ATOM 1080 NE2 GLN A 74 25.554 9.054 14.776 1.00 30.19 N ATOM 1081 HA GLN A 74 26.615 4.142 16.010 1.00 0.00 H ATOM 1082 HB2 GLN A 74 27.369 5.628 14.163 1.00 0.00 H ATOM 1083 HB3 GLN A 74 25.685 5.744 13.601 1.00 0.00 H ATOM 1084 HG2 GLN A 74 25.030 6.810 15.694 1.00 0.00 H ATOM 1085 HG3 GLN A 74 26.683 6.630 16.328 1.00 0.00 H ATOM 1086 HE22 GLN A 74 24.607 8.857 15.158 1.00 0.00 H ATOM 1087 HE21 GLN A 74 25.771 9.991 14.381 1.00 0.00 H ATOM 1088 H GLN A 74 26.010 3.324 13.150 1.00 0.00 H ATOM 1089 N SER A 75 24.211 4.209 16.782 1.00 17.74 N ATOM 1090 CA SER A 75 22.814 4.096 17.224 1.00 18.46 C ATOM 1091 C SER A 75 22.025 5.342 16.752 1.00 19.22 C ATOM 1092 O SER A 75 22.526 6.490 16.800 1.00 19.23 O ATOM 1093 CB SER A 75 22.756 3.923 18.749 1.00 19.94 C ATOM 1094 OG SER A 75 23.241 5.083 19.408 1.00 19.33 O ATOM 1095 HA SER A 75 22.352 3.214 16.780 1.00 0.00 H ATOM 1096 HB2 SER A 75 23.368 3.067 19.035 1.00 0.00 H ATOM 1097 HB3 SER A 75 21.723 3.747 19.050 1.00 0.00 H ATOM 1098 HG SER A 75 22.686 5.862 19.154 1.00 0.00 H ATOM 1099 H SER A 75 24.965 4.339 17.487 1.00 0.00 H ATOM 1100 N TYR A 76 20.782 5.138 16.325 1.00 19.21 N ATOM 1101 CA TYR A 76 19.971 6.301 15.926 1.00 20.71 C ATOM 1102 C TYR A 76 19.521 7.105 17.121 1.00 22.44 C ATOM 1103 O TYR A 76 19.413 8.339 17.036 1.00 24.62 O ATOM 1104 CB TYR A 76 18.732 5.869 15.160 1.00 21.74 C ATOM 1105 CG TYR A 76 19.024 5.286 13.828 1.00 19.26 C ATOM 1106 CD1 TYR A 76 19.628 6.061 12.828 1.00 21.67 C ATOM 1107 CD2 TYR A 76 18.711 3.941 13.547 1.00 20.32 C ATOM 1108 CE1 TYR A 76 19.883 5.540 11.568 1.00 19.05 C ATOM 1109 CE2 TYR A 76 18.984 3.410 12.251 1.00 20.64 C ATOM 1110 CZ TYR A 76 19.560 4.223 11.306 1.00 19.68 C ATOM 1111 OH TYR A 76 19.838 3.736 10.061 1.00 25.80 O ATOM 1112 HA TYR A 76 20.610 6.915 15.292 1.00 0.00 H ATOM 1113 HB3 TYR A 76 18.092 6.741 15.021 1.00 0.00 H ATOM 1114 HB2 TYR A 76 18.204 5.123 15.754 1.00 0.00 H ATOM 1115 HD2 TYR A 76 18.263 3.310 14.315 1.00 0.00 H ATOM 1116 HE2 TYR A 76 18.739 2.375 12.015 1.00 0.00 H ATOM 1117 HE1 TYR A 76 20.333 6.162 10.794 1.00 0.00 H ATOM 1118 HD1 TYR A 76 19.903 7.093 13.045 1.00 0.00 H ATOM 1119 HH TYR A 76 19.000 3.429 9.633 1.00 0.00 H ATOM 1120 H TYR A 76 20.390 4.176 16.274 1.00 0.00 H ATOM 1121 N SER A 77 19.217 6.397 18.202 1.00 23.73 N ATOM 1122 CA SER A 77 18.855 7.050 19.469 1.00 26.21 C ATOM 1123 C SER A 77 20.072 7.240 20.370 1.00 26.44 C ATOM 1124 O SER A 77 21.075 6.489 20.284 1.00 25.96 O ATOM 1125 CB SER A 77 17.793 6.226 20.217 1.00 28.00 C ATOM 1126 OG SER A 77 16.685 5.894 19.389 1.00 28.84 O ATOM 1127 HA SER A 77 18.450 8.031 19.222 1.00 0.00 H ATOM 1128 HB2 SER A 77 17.434 6.806 21.067 1.00 0.00 H ATOM 1129 HB3 SER A 77 18.252 5.304 20.575 1.00 0.00 H ATOM 1130 HG SER A 77 16.031 5.366 19.912 1.00 0.00 H ATOM 1131 H SER A 77 19.235 5.358 18.152 1.00 0.00 H ATOM 1132 N THR A 78 19.984 8.202 21.293 1.00 26.28 N ATOM 1133 CA THR A 78 20.983 8.289 22.337 1.00 25.83 C ATOM 1134 C THR A 78 20.803 7.144 23.345 1.00 26.55 C ATOM 1135 O THR A 78 19.710 6.559 23.505 1.00 26.92 O ATOM 1136 CB THR A 78 20.955 9.649 23.099 1.00 28.27 C ATOM 1137 OG1 THR A 78 19.656 9.812 23.658 1.00 32.03 O ATOM 1138 CG2 THR A 78 21.288 10.816 22.156 1.00 29.82 C ATOM 1139 HA THR A 78 21.950 8.211 21.840 1.00 0.00 H ATOM 1140 HB THR A 78 21.708 9.647 23.887 1.00 0.00 H ATOM 1141 HG1 THR A 78 19.614 10.671 24.148 1.00 0.00 H ATOM 1142 HG23 THR A 78 22.285 10.672 21.740 1.00 0.00 H ATOM 1143 HG21 THR A 78 20.557 10.849 21.348 1.00 0.00 H ATOM 1144 HG22 THR A 78 21.258 11.752 22.714 1.00 0.00 H ATOM 1145 H THR A 78 19.201 8.886 21.262 1.00 0.00 H ATOM 1146 N MET A 79 21.904 6.802 23.986 1.00 25.22 N ATOM 1147 CA MET A 79 21.919 5.784 25.020 1.00 23.20 C ATOM 1148 C MET A 79 22.634 6.278 26.273 1.00 22.33 C ATOM 1149 O MET A 79 23.514 7.156 26.235 1.00 23.25 O ATOM 1150 CB MET A 79 22.577 4.520 24.468 1.00 23.79 C ATOM 1151 CG MET A 79 21.786 3.859 23.362 1.00 27.74 C ATOM 1152 SD MET A 79 22.531 2.269 22.970 1.00 27.57 S ATOM 1153 CE MET A 79 21.267 1.539 21.951 1.00 31.70 C ATOM 1154 HA MET A 79 20.894 5.555 25.311 1.00 0.00 H ATOM 1155 HB2 MET A 79 23.560 4.785 24.078 1.00 0.00 H ATOM 1156 HB3 MET A 79 22.692 3.806 25.284 1.00 0.00 H ATOM 1157 HG2 MET A 79 21.796 4.495 22.477 1.00 0.00 H ATOM 1158 HG3 MET A 79 20.757 3.709 23.689 1.00 0.00 H ATOM 1159 HE1 MET A 79 20.343 1.457 22.524 1.00 0.00 H ATOM 1160 HE2 MET A 79 21.099 2.168 21.076 1.00 0.00 H ATOM 1161 HE3 MET A 79 21.587 0.547 21.631 1.00 0.00 H ATOM 1162 H MET A 79 22.795 7.280 23.741 1.00 0.00 H ATOM 1163 N SER A 80 22.218 5.726 27.401 1.00 23.48 N ATOM 1164 CA SER A 80 22.822 6.069 28.676 1.00 24.92 C ATOM 1165 C SER A 80 24.185 5.361 28.824 1.00 25.62 C ATOM 1166 O SER A 80 24.247 4.147 28.805 1.00 26.37 O ATOM 1167 CB SER A 80 21.897 5.618 29.805 1.00 26.60 C ATOM 1168 OG SER A 80 22.487 5.901 31.044 1.00 31.51 O ATOM 1169 HA SER A 80 22.972 7.148 28.723 1.00 0.00 H ATOM 1170 HB2 SER A 80 21.723 4.545 29.724 1.00 0.00 H ATOM 1171 HB3 SER A 80 20.947 6.146 29.727 1.00 0.00 H ATOM 1172 HG SER A 80 21.883 5.606 31.771 1.00 0.00 H ATOM 1173 H SER A 80 21.443 5.033 27.374 1.00 0.00 H ATOM 1174 N ILE A 81 25.252 6.134 28.969 1.00 26.56 N ATOM 1175 CA ILE A 81 26.603 5.548 29.064 1.00 27.50 C ATOM 1176 C ILE A 81 27.372 6.144 30.216 1.00 28.55 C ATOM 1177 O ILE A 81 27.092 7.280 30.639 1.00 29.75 O ATOM 1178 CB ILE A 81 27.448 5.759 27.767 1.00 26.37 C ATOM 1179 CG1 ILE A 81 27.698 7.259 27.497 1.00 26.70 C ATOM 1180 CG2 ILE A 81 26.789 5.028 26.580 1.00 28.63 C ATOM 1181 CD1 ILE A 81 28.975 7.555 26.732 1.00 38.60 C ATOM 1182 HA ILE A 81 26.447 4.480 29.214 1.00 0.00 H ATOM 1183 HB ILE A 81 28.434 5.316 27.907 1.00 0.00 H ATOM 1184 HG12 ILE A 81 26.858 7.646 26.921 1.00 0.00 H ATOM 1185 HG13 ILE A 81 27.748 7.774 28.456 1.00 0.00 H ATOM 1186 HD11 ILE A 81 29.830 7.187 27.299 1.00 0.00 H ATOM 1187 HD12 ILE A 81 28.939 7.059 25.762 1.00 0.00 H ATOM 1188 HD13 ILE A 81 29.069 8.631 26.588 1.00 0.00 H ATOM 1189 HG21 ILE A 81 26.729 3.962 26.799 1.00 0.00 H ATOM 1190 HG22 ILE A 81 25.786 5.424 26.422 1.00 0.00 H ATOM 1191 HG23 ILE A 81 27.387 5.183 25.682 1.00 0.00 H ATOM 1192 H ILE A 81 25.136 7.166 29.016 1.00 0.00 H ATOM 1193 N THR A 82 28.367 5.400 30.693 1.00 27.58 N ATOM 1194 CA THR A 82 29.290 5.914 31.684 1.00 28.20 C ATOM 1195 C THR A 82 30.715 5.773 31.158 1.00 29.02 C ATOM 1196 O THR A 82 31.126 4.663 30.815 1.00 27.99 O ATOM 1197 CB THR A 82 29.155 5.158 33.008 1.00 28.30 C ATOM 1198 OG1 THR A 82 27.814 5.286 33.516 1.00 30.85 O ATOM 1199 CG2 THR A 82 30.161 5.694 34.023 1.00 32.22 C ATOM 1200 HA THR A 82 29.057 6.963 31.867 1.00 0.00 H ATOM 1201 HB THR A 82 29.363 4.102 32.835 1.00 0.00 H ATOM 1202 HG1 THR A 82 27.176 4.909 32.859 1.00 0.00 H ATOM 1203 HG23 THR A 82 31.170 5.590 33.623 1.00 0.00 H ATOM 1204 HG21 THR A 82 29.953 6.746 34.218 1.00 0.00 H ATOM 1205 HG22 THR A 82 30.076 5.128 34.951 1.00 0.00 H ATOM 1206 H THR A 82 28.485 4.427 30.346 1.00 0.00 H ATOM 1207 N ASP A 83 31.434 6.892 31.044 1.00 29.50 N ATOM 1208 CA ASP A 83 32.843 6.875 30.678 1.00 31.70 C ATOM 1209 C ASP A 83 33.690 6.750 31.939 1.00 32.47 C ATOM 1210 O ASP A 83 33.446 7.454 32.938 1.00 31.66 O ATOM 1211 CB ASP A 83 33.251 8.138 29.907 1.00 31.74 C ATOM 1212 CG ASP A 83 32.659 8.191 28.527 1.00 38.09 C ATOM 1213 OD1 ASP A 83 32.617 7.140 27.839 1.00 35.65 O ATOM 1214 OD2 ASP A 83 32.228 9.288 28.127 1.00 43.95 O ATOM 1215 HA ASP A 83 33.009 6.020 30.023 1.00 0.00 H ATOM 1216 HB2 ASP A 83 32.914 9.012 30.465 1.00 0.00 H ATOM 1217 HB3 ASP A 83 34.337 8.159 29.822 1.00 0.00 H ATOM 1218 H ASP A 83 30.972 7.807 31.223 1.00 0.00 H ATOM 1219 N CYS A 84 34.661 5.837 31.906 1.00 32.15 N ATOM 1220 CA CYS A 84 35.643 5.714 32.984 1.00 33.85 C ATOM 1221 C CYS A 84 37.008 6.091 32.439 1.00 36.27 C ATOM 1222 O CYS A 84 37.449 5.555 31.426 1.00 37.08 O ATOM 1223 CB CYS A 84 35.686 4.285 33.536 1.00 31.85 C ATOM 1224 SG CYS A 84 34.123 3.686 34.145 1.00 30.95 S ATOM 1225 HA CYS A 84 35.359 6.379 33.799 1.00 0.00 H ATOM 1226 HB2 CYS A 84 36.405 4.257 34.355 1.00 0.00 H ATOM 1227 HB3 CYS A 84 36.019 3.621 32.739 1.00 0.00 H ATOM 1228 H CYS A 84 34.722 5.194 31.091 1.00 0.00 H ATOM 1229 N ARG A 85 37.667 7.028 33.114 1.00 38.64 N ATOM 1230 CA ARG A 85 38.947 7.559 32.671 1.00 40.86 C ATOM 1231 C ARG A 85 39.889 7.562 33.862 1.00 43.21 C ATOM 1232 O ARG A 85 39.520 8.007 34.965 1.00 42.47 O ATOM 1233 CB ARG A 85 38.779 8.979 32.113 1.00 41.29 C ATOM 1234 HA ARG A 85 39.354 6.939 31.872 1.00 0.00 H ATOM 1235 HB2 ARG A 85 38.093 8.956 31.266 1.00 0.00 H ATOM 1236 HB3 ARG A 85 38.377 9.628 32.891 1.00 0.00 H ATOM 1237 H ARG A 85 37.251 7.396 33.993 1.00 0.00 H ATOM 1238 N GLU A 86 41.091 7.039 33.629 1.00 45.37 N ATOM 1239 CA GLU A 86 42.103 6.868 34.670 1.00 47.73 C ATOM 1240 C GLU A 86 42.583 8.221 35.189 1.00 48.81 C ATOM 1241 O GLU A 86 42.797 9.145 34.398 1.00 49.60 O ATOM 1242 CB GLU A 86 43.277 6.084 34.101 1.00 47.65 C ATOM 1243 CG GLU A 86 43.956 5.205 35.105 1.00 47.26 C ATOM 1244 CD GLU A 86 45.323 4.735 34.652 1.00 40.98 C ATOM 1245 OE1 GLU A 86 45.726 5.014 33.497 1.00 46.11 O ATOM 1246 OE2 GLU A 86 45.996 4.078 35.467 1.00 46.27 O ATOM 1247 HA GLU A 86 41.663 6.322 35.504 1.00 0.00 H ATOM 1248 HB2 GLU A 86 42.911 5.458 33.287 1.00 0.00 H ATOM 1249 HB3 GLU A 86 44.009 6.793 33.713 1.00 0.00 H ATOM 1250 HG2 GLU A 86 44.071 5.763 36.034 1.00 0.00 H ATOM 1251 HG3 GLU A 86 43.329 4.331 35.282 1.00 0.00 H ATOM 1252 H GLU A 86 41.321 6.738 32.660 1.00 0.00 H ATOM 1253 N THR A 87 42.733 8.326 36.511 1.00 50.29 N ATOM 1254 CA THR A 87 43.143 9.578 37.167 1.00 52.05 C ATOM 1255 C THR A 87 44.660 9.703 37.261 1.00 53.15 C ATOM 1256 O THR A 87 45.399 8.849 36.759 1.00 53.26 O ATOM 1257 CB THR A 87 42.533 9.742 38.596 1.00 51.76 C ATOM 1258 OG1 THR A 87 43.002 8.701 39.465 1.00 52.03 O ATOM 1259 CG2 THR A 87 41.012 9.736 38.560 1.00 53.30 C ATOM 1260 HA THR A 87 42.753 10.373 36.532 1.00 0.00 H ATOM 1261 HB THR A 87 42.860 10.708 38.981 1.00 0.00 H ATOM 1262 HG1 THR A 87 42.733 7.821 39.099 1.00 0.00 H ATOM 1263 HG23 THR A 87 40.662 10.529 37.899 1.00 0.00 H ATOM 1264 HG21 THR A 87 40.662 8.772 38.190 1.00 0.00 H ATOM 1265 HG22 THR A 87 40.625 9.903 39.565 1.00 0.00 H ATOM 1266 H THR A 87 42.553 7.489 37.102 1.00 0.00 H ATOM 1267 N GLY A 88 45.113 10.792 37.888 1.00 54.76 N ATOM 1268 CA GLY A 88 46.532 11.008 38.186 1.00 55.22 C ATOM 1269 C GLY A 88 46.986 10.159 39.356 1.00 55.42 C ATOM 1270 O GLY A 88 48.020 9.497 39.283 1.00 56.03 O ATOM 1271 HA3 GLY A 88 46.688 12.059 38.428 1.00 0.00 H ATOM 1272 HA2 GLY A 88 47.123 10.748 37.308 1.00 0.00 H ATOM 1273 H GLY A 88 44.428 11.519 38.178 1.00 0.00 H ATOM 1274 N SER A 89 46.197 10.165 40.429 1.00 55.86 N ATOM 1275 CA SER A 89 46.475 9.358 41.618 1.00 56.08 C ATOM 1276 C SER A 89 46.534 7.848 41.324 1.00 56.15 C ATOM 1277 O SER A 89 47.083 7.075 42.118 1.00 56.50 O ATOM 1278 CB SER A 89 45.439 9.644 42.712 1.00 56.67 C ATOM 1279 OG SER A 89 44.118 9.365 42.269 1.00 58.13 O ATOM 1280 HA SER A 89 47.466 9.649 41.965 1.00 0.00 H ATOM 1281 HB2 SER A 89 45.503 10.695 42.994 1.00 0.00 H ATOM 1282 HB3 SER A 89 45.660 9.022 43.580 1.00 0.00 H ATOM 1283 HG SER A 89 43.908 9.931 41.484 1.00 0.00 H ATOM 1284 H SER A 89 45.349 10.767 40.422 1.00 0.00 H ATOM 1285 N SER A 90 45.971 7.445 40.183 1.00 54.98 N ATOM 1286 CA SER A 90 45.943 6.047 39.756 1.00 54.05 C ATOM 1287 C SER A 90 47.337 5.478 39.510 1.00 53.25 C ATOM 1288 O SER A 90 48.059 5.941 38.623 1.00 53.90 O ATOM 1289 CB SER A 90 45.096 5.898 38.489 1.00 53.69 C ATOM 1290 OG SER A 90 45.175 4.583 37.966 1.00 53.67 O ATOM 1291 HA SER A 90 45.498 5.478 40.572 1.00 0.00 H ATOM 1292 HB2 SER A 90 45.455 6.601 37.737 1.00 0.00 H ATOM 1293 HB3 SER A 90 44.057 6.123 38.728 1.00 0.00 H ATOM 1294 HG SER A 90 44.618 4.520 37.150 1.00 0.00 H ATOM 1295 H SER A 90 45.531 8.159 39.568 1.00 0.00 H ATOM 1296 N LYS A 91 47.693 4.469 40.302 1.00 52.11 N ATOM 1297 CA LYS A 91 48.953 3.745 40.157 1.00 51.61 C ATOM 1298 C LYS A 91 48.700 2.249 40.326 1.00 50.27 C ATOM 1299 O LYS A 91 48.230 1.822 41.378 1.00 50.45 O ATOM 1300 CB LYS A 91 49.970 4.228 41.205 1.00 51.69 C ATOM 1301 HA LYS A 91 49.362 3.934 39.165 1.00 0.00 H ATOM 1302 HB2 LYS A 91 50.153 5.294 41.067 1.00 0.00 H ATOM 1303 HB3 LYS A 91 49.571 4.053 42.204 1.00 0.00 H ATOM 1304 H LYS A 91 47.042 4.182 41.061 1.00 0.00 H ATOM 1305 N TYR A 92 48.999 1.460 39.293 1.00 49.85 N ATOM 1306 CA TYR A 92 48.801 0.007 39.344 1.00 49.16 C ATOM 1307 C TYR A 92 49.581 -0.584 40.523 1.00 49.62 C ATOM 1308 O TYR A 92 50.735 -0.205 40.744 1.00 49.34 O ATOM 1309 CB TYR A 92 49.230 -0.642 38.024 1.00 48.82 C ATOM 1310 CG TYR A 92 49.052 -2.150 37.952 1.00 48.26 C ATOM 1311 CD1 TYR A 92 47.851 -2.714 37.510 1.00 48.39 C ATOM 1312 CD2 TYR A 92 50.095 -3.016 38.300 1.00 48.80 C ATOM 1313 CE1 TYR A 92 47.686 -4.100 37.427 1.00 44.74 C ATOM 1314 CE2 TYR A 92 49.943 -4.402 38.221 1.00 49.62 C ATOM 1315 CZ TYR A 92 48.740 -4.937 37.782 1.00 51.71 C ATOM 1316 OH TYR A 92 48.594 -6.305 37.709 1.00 50.17 O ATOM 1317 HA TYR A 92 47.741 -0.201 39.489 1.00 0.00 H ATOM 1318 HB3 TYR A 92 50.285 -0.420 37.867 1.00 0.00 H ATOM 1319 HB2 TYR A 92 48.642 -0.195 37.222 1.00 0.00 H ATOM 1320 HD2 TYR A 92 51.044 -2.601 38.639 1.00 0.00 H ATOM 1321 HE2 TYR A 92 50.765 -5.060 38.503 1.00 0.00 H ATOM 1322 HE1 TYR A 92 46.740 -4.521 37.087 1.00 0.00 H ATOM 1323 HD1 TYR A 92 47.027 -2.060 37.224 1.00 0.00 H ATOM 1324 HH TYR A 92 47.686 -6.522 37.380 1.00 0.00 H ATOM 1325 H TYR A 92 49.384 1.887 38.426 1.00 0.00 H ATOM 1326 N PRO A 93 48.963 -1.517 41.282 1.00 49.82 N ATOM 1327 CA PRO A 93 47.660 -2.166 41.084 1.00 49.90 C ATOM 1328 C PRO A 93 46.477 -1.411 41.702 1.00 49.56 C ATOM 1329 O PRO A 93 45.363 -1.947 41.764 1.00 49.75 O ATOM 1330 CB PRO A 93 47.845 -3.504 41.798 1.00 49.45 C ATOM 1331 CG PRO A 93 48.761 -3.175 42.950 1.00 50.43 C ATOM 1332 CD PRO A 93 49.614 -1.993 42.518 1.00 50.00 C ATOM 1333 HA PRO A 93 47.411 -2.228 40.025 1.00 0.00 H ATOM 1334 HD3 PRO A 93 49.614 -1.215 43.281 1.00 0.00 H ATOM 1335 HD2 PRO A 93 50.639 -2.306 42.321 1.00 0.00 H ATOM 1336 HG3 PRO A 93 49.396 -4.031 43.180 1.00 0.00 H ATOM 1337 HG2 PRO A 93 48.175 -2.912 43.831 1.00 0.00 H ATOM 1338 HB2 PRO A 93 46.890 -3.887 42.158 1.00 0.00 H ATOM 1339 HB3 PRO A 93 48.303 -4.238 41.135 1.00 0.00 H ATOM 1340 N ASN A 94 46.717 -0.185 42.150 1.00 48.69 N ATOM 1341 CA ASN A 94 45.660 0.628 42.725 1.00 48.15 C ATOM 1342 C ASN A 94 45.110 1.588 41.675 1.00 46.42 C ATOM 1343 O ASN A 94 45.369 2.789 41.713 1.00 46.68 O ATOM 1344 CB ASN A 94 46.173 1.369 43.965 1.00 48.79 C ATOM 1345 CG ASN A 94 46.586 0.423 45.081 1.00 51.26 C ATOM 1346 OD1 ASN A 94 47.778 0.200 45.316 1.00 57.10 O ATOM 1347 ND2 ASN A 94 45.602 -0.144 45.769 1.00 55.20 N ATOM 1348 HA ASN A 94 44.842 -0.017 43.046 1.00 0.00 H ATOM 1349 HB2 ASN A 94 47.036 1.971 43.680 1.00 0.00 H ATOM 1350 HB3 ASN A 94 45.382 2.021 44.335 1.00 0.00 H ATOM 1351 HD22 ASN A 94 44.612 0.073 45.536 1.00 0.00 H ATOM 1352 HD21 ASN A 94 45.821 -0.806 46.541 1.00 0.00 H ATOM 1353 H ASN A 94 47.681 0.201 42.088 1.00 0.00 H ATOM 1354 N CYS A 95 44.358 1.034 40.726 1.00 45.24 N ATOM 1355 CA CYS A 95 43.815 1.808 39.614 1.00 43.48 C ATOM 1356 C CYS A 95 42.645 2.673 40.071 1.00 43.00 C ATOM 1357 O CYS A 95 41.777 2.226 40.829 1.00 43.04 O ATOM 1358 CB CYS A 95 43.389 0.884 38.473 1.00 43.21 C ATOM 1359 SG CYS A 95 44.714 -0.193 37.871 1.00 40.52 S ATOM 1360 HA CYS A 95 44.600 2.469 39.247 1.00 0.00 H ATOM 1361 HB2 CYS A 95 43.042 1.500 37.643 1.00 0.00 H ATOM 1362 HB3 CYS A 95 42.570 0.257 38.826 1.00 0.00 H ATOM 1363 H CYS A 95 44.151 0.016 40.779 1.00 0.00 H ATOM 1364 N ALA A 96 42.633 3.916 39.607 1.00 41.64 N ATOM 1365 CA ALA A 96 41.645 4.884 40.058 1.00 40.87 C ATOM 1366 C ALA A 96 41.037 5.598 38.869 1.00 39.65 C ATOM 1367 O ALA A 96 41.736 5.921 37.914 1.00 39.48 O ATOM 1368 CB ALA A 96 42.277 5.888 41.010 1.00 41.03 C ATOM 1369 HA ALA A 96 40.856 4.354 40.592 1.00 0.00 H ATOM 1370 HB1 ALA A 96 42.679 5.362 41.876 1.00 0.00 H ATOM 1371 HB2 ALA A 96 43.082 6.416 40.498 1.00 0.00 H ATOM 1372 HB3 ALA A 96 41.522 6.603 41.336 1.00 0.00 H ATOM 1373 H ALA A 96 43.345 4.204 38.906 1.00 0.00 H ATOM 1374 N TYR A 97 39.734 5.853 38.948 1.00 39.17 N ATOM 1375 CA TYR A 97 38.975 6.366 37.803 1.00 37.97 C ATOM 1376 C TYR A 97 38.016 7.499 38.145 1.00 38.50 C ATOM 1377 O TYR A 97 37.386 7.485 39.202 1.00 40.09 O ATOM 1378 CB TYR A 97 38.167 5.231 37.146 1.00 37.22 C ATOM 1379 CG TYR A 97 39.034 4.185 36.507 1.00 33.21 C ATOM 1380 CD1 TYR A 97 39.451 3.063 37.227 1.00 34.54 C ATOM 1381 CD2 TYR A 97 39.458 4.328 35.186 1.00 33.34 C ATOM 1382 CE1 TYR A 97 40.287 2.105 36.636 1.00 32.36 C ATOM 1383 CE2 TYR A 97 40.286 3.384 34.590 1.00 33.54 C ATOM 1384 CZ TYR A 97 40.703 2.286 35.323 1.00 33.99 C ATOM 1385 OH TYR A 97 41.504 1.345 34.703 1.00 34.71 O ATOM 1386 HA TYR A 97 39.724 6.770 37.122 1.00 0.00 H ATOM 1387 HB3 TYR A 97 37.522 5.662 36.381 1.00 0.00 H ATOM 1388 HB2 TYR A 97 37.553 4.754 37.910 1.00 0.00 H ATOM 1389 HD2 TYR A 97 39.134 5.195 34.611 1.00 0.00 H ATOM 1390 HE2 TYR A 97 40.604 3.507 33.555 1.00 0.00 H ATOM 1391 HE1 TYR A 97 40.607 1.229 37.200 1.00 0.00 H ATOM 1392 HD1 TYR A 97 39.123 2.931 38.258 1.00 0.00 H ATOM 1393 HH TYR A 97 41.023 0.964 33.927 1.00 0.00 H ATOM 1394 H TYR A 97 39.240 5.684 39.847 1.00 0.00 H ATOM 1395 N LYS A 98 37.902 8.463 37.235 1.00 39.10 N ATOM 1396 CA LYS A 98 36.786 9.413 37.273 1.00 39.47 C ATOM 1397 C LYS A 98 35.607 8.816 36.498 1.00 39.98 C ATOM 1398 O LYS A 98 35.787 8.234 35.414 1.00 40.60 O ATOM 1399 CB LYS A 98 37.191 10.769 36.695 1.00 40.26 C ATOM 1400 HA LYS A 98 36.494 9.585 38.309 1.00 0.00 H ATOM 1401 HB2 LYS A 98 38.016 11.179 37.277 1.00 0.00 H ATOM 1402 HB3 LYS A 98 37.504 10.642 35.659 1.00 0.00 H ATOM 1403 H LYS A 98 38.617 8.544 36.484 1.00 0.00 H ATOM 1404 N THR A 99 34.419 8.971 37.073 1.00 39.38 N ATOM 1405 CA THR A 99 33.152 8.506 36.509 1.00 39.56 C ATOM 1406 C THR A 99 32.359 9.659 35.886 1.00 40.03 C ATOM 1407 O THR A 99 31.983 10.614 36.587 1.00 40.65 O ATOM 1408 CB THR A 99 32.300 7.853 37.620 1.00 38.43 C ATOM 1409 OG1 THR A 99 32.996 6.731 38.175 1.00 41.42 O ATOM 1410 CG2 THR A 99 30.933 7.404 37.111 1.00 38.17 C ATOM 1411 HA THR A 99 33.379 7.781 35.728 1.00 0.00 H ATOM 1412 HB THR A 99 32.136 8.609 38.388 1.00 0.00 H ATOM 1413 HG1 THR A 99 33.168 6.066 37.462 1.00 0.00 H ATOM 1414 HG23 THR A 99 30.405 8.259 36.689 1.00 0.00 H ATOM 1415 HG21 THR A 99 31.065 6.642 36.343 1.00 0.00 H ATOM 1416 HG22 THR A 99 30.356 6.991 37.939 1.00 0.00 H ATOM 1417 H THR A 99 34.388 9.459 37.991 1.00 0.00 H ATOM 1418 N THR A 100 32.082 9.565 34.587 1.00 39.38 N ATOM 1419 CA THR A 100 31.244 10.552 33.907 1.00 39.13 C ATOM 1420 C THR A 100 30.015 9.859 33.318 1.00 38.41 C ATOM 1421 O THR A 100 30.145 8.844 32.631 1.00 37.05 O ATOM 1422 CB THR A 100 31.992 11.280 32.788 1.00 39.04 C ATOM 1423 OG1 THR A 100 33.218 11.827 33.294 1.00 43.37 O ATOM 1424 CG2 THR A 100 31.129 12.431 32.208 1.00 41.91 C ATOM 1425 HA THR A 100 30.950 11.295 34.649 1.00 0.00 H ATOM 1426 HB THR A 100 32.204 10.560 31.998 1.00 0.00 H ATOM 1427 HG1 THR A 100 33.785 11.095 33.644 1.00 0.00 H ATOM 1428 HG23 THR A 100 30.195 12.024 31.821 1.00 0.00 H ATOM 1429 HG21 THR A 100 30.913 13.154 32.995 1.00 0.00 H ATOM 1430 HG22 THR A 100 31.674 12.922 31.402 1.00 0.00 H ATOM 1431 H THR A 100 32.472 8.769 34.042 1.00 0.00 H ATOM 1432 N GLN A 101 28.830 10.398 33.607 1.00 37.07 N ATOM 1433 CA GLN A 101 27.603 9.934 32.955 1.00 36.11 C ATOM 1434 C GLN A 101 27.272 10.822 31.761 1.00 35.67 C ATOM 1435 O GLN A 101 27.466 12.043 31.805 1.00 35.13 O ATOM 1436 CB GLN A 101 26.420 9.853 33.936 1.00 37.12 C ATOM 1437 HA GLN A 101 27.781 8.920 32.597 1.00 0.00 H ATOM 1438 HB2 GLN A 101 26.662 9.157 34.739 1.00 0.00 H ATOM 1439 HB3 GLN A 101 26.229 10.841 34.355 1.00 0.00 H ATOM 1440 H GLN A 101 28.776 11.163 34.309 1.00 0.00 H ATOM 1441 N ALA A 102 26.802 10.206 30.678 1.00 34.73 N ATOM 1442 CA ALA A 102 26.353 10.950 29.509 1.00 33.86 C ATOM 1443 C ALA A 102 25.232 10.193 28.799 1.00 32.24 C ATOM 1444 O ALA A 102 24.988 9.021 29.084 1.00 32.04 O ATOM 1445 CB ALA A 102 27.532 11.242 28.550 1.00 34.34 C ATOM 1446 HA ALA A 102 25.958 11.910 29.840 1.00 0.00 H ATOM 1447 HB1 ALA A 102 28.286 11.832 29.072 1.00 0.00 H ATOM 1448 HB2 ALA A 102 27.971 10.301 28.218 1.00 0.00 H ATOM 1449 HB3 ALA A 102 27.167 11.798 27.687 1.00 0.00 H ATOM 1450 H ALA A 102 26.754 9.167 30.667 1.00 0.00 H ATOM 1451 N ASN A 103 24.521 10.893 27.919 1.00 31.51 N ATOM 1452 CA ASN A 103 23.540 10.288 27.010 1.00 29.87 C ATOM 1453 C ASN A 103 24.033 10.605 25.615 1.00 28.40 C ATOM 1454 O ASN A 103 23.996 11.758 25.178 1.00 29.80 O ATOM 1455 CB ASN A 103 22.116 10.865 27.212 1.00 30.52 C ATOM 1456 CG ASN A 103 21.473 10.406 28.511 1.00 34.96 C ATOM 1457 OD1 ASN A 103 21.430 11.151 29.495 1.00 49.11 O ATOM 1458 ND2 ASN A 103 20.969 9.183 28.525 1.00 36.23 N ATOM 1459 HA ASN A 103 23.459 9.217 27.196 1.00 0.00 H ATOM 1460 HB2 ASN A 103 22.179 11.953 27.220 1.00 0.00 H ATOM 1461 HB3 ASN A 103 21.489 10.544 26.380 1.00 0.00 H ATOM 1462 HD22 ASN A 103 21.026 8.587 27.674 1.00 0.00 H ATOM 1463 HD21 ASN A 103 20.516 8.817 29.387 1.00 0.00 H ATOM 1464 H ASN A 103 24.668 11.922 27.873 1.00 0.00 H ATOM 1465 N LYS A 104 24.559 9.595 24.927 1.00 26.92 N ATOM 1466 CA LYS A 104 25.170 9.823 23.628 1.00 25.67 C ATOM 1467 C LYS A 104 24.836 8.707 22.660 1.00 24.23 C ATOM 1468 O LYS A 104 24.381 7.645 23.068 1.00 24.73 O ATOM 1469 CB LYS A 104 26.699 9.900 23.781 1.00 26.82 C ATOM 1470 CG LYS A 104 27.182 11.175 24.466 1.00 29.76 C ATOM 1471 CD LYS A 104 28.683 11.379 24.318 1.00 33.58 C ATOM 1472 HA LYS A 104 24.778 10.761 23.234 1.00 0.00 H ATOM 1473 HB2 LYS A 104 27.030 9.045 24.371 1.00 0.00 H ATOM 1474 HB3 LYS A 104 27.148 9.851 22.789 1.00 0.00 H ATOM 1475 HG2 LYS A 104 26.667 12.028 24.023 1.00 0.00 H ATOM 1476 HG3 LYS A 104 26.939 11.117 25.527 1.00 0.00 H ATOM 1477 HD2 LYS A 104 29.209 10.535 24.765 1.00 0.00 H ATOM 1478 HD3 LYS A 104 28.937 11.447 23.260 1.00 0.00 H ATOM 1479 H LYS A 104 24.533 8.633 25.322 1.00 0.00 H ATOM 1480 N HIS A 105 25.080 8.953 21.376 1.00 23.54 N ATOM 1481 CA HIS A 105 24.928 7.890 20.412 1.00 22.28 C ATOM 1482 C HIS A 105 26.168 7.038 20.531 1.00 22.42 C ATOM 1483 O HIS A 105 27.264 7.578 20.726 1.00 24.68 O ATOM 1484 CB HIS A 105 24.865 8.450 19.003 1.00 23.07 C ATOM 1485 CG HIS A 105 23.722 9.398 18.805 1.00 24.91 C ATOM 1486 ND1 HIS A 105 22.467 8.977 18.434 1.00 26.32 N ATOM 1487 CD2 HIS A 105 23.637 10.740 18.979 1.00 30.83 C ATOM 1488 CE1 HIS A 105 21.659 10.023 18.353 1.00 28.62 C ATOM 1489 NE2 HIS A 105 22.340 11.102 18.692 1.00 29.88 N ATOM 1490 HA HIS A 105 24.012 7.330 20.600 1.00 0.00 H ATOM 1491 HB2 HIS A 105 25.796 8.978 18.796 1.00 0.00 H ATOM 1492 HB3 HIS A 105 24.756 7.621 18.303 1.00 0.00 H ATOM 1493 HD2 HIS A 105 24.443 11.406 19.288 1.00 0.00 H ATOM 1494 HE1 HIS A 105 20.610 9.997 18.057 1.00 0.00 H ATOM 1495 H HIS A 105 25.377 9.901 21.070 1.00 0.00 H ATOM 1496 N ILE A 106 26.018 5.724 20.396 1.00 20.69 N ATOM 1497 CA ILE A 106 27.229 4.875 20.531 1.00 19.54 C ATOM 1498 C ILE A 106 27.612 4.369 19.151 1.00 18.69 C ATOM 1499 O ILE A 106 26.769 4.266 18.280 1.00 18.96 O ATOM 1500 CB ILE A 106 27.048 3.664 21.511 1.00 19.64 C ATOM 1501 CG1 ILE A 106 26.044 2.640 20.975 1.00 20.55 C ATOM 1502 CG2 ILE A 106 26.708 4.153 22.943 1.00 23.00 C ATOM 1503 CD1 ILE A 106 26.053 1.237 21.723 1.00 22.08 C ATOM 1504 HA ILE A 106 28.015 5.493 20.965 1.00 0.00 H ATOM 1505 HB ILE A 106 28.001 3.139 21.576 1.00 0.00 H ATOM 1506 HG12 ILE A 106 25.045 3.066 21.066 1.00 0.00 H ATOM 1507 HG13 ILE A 106 26.268 2.464 19.923 1.00 0.00 H ATOM 1508 HD11 ILE A 106 27.041 0.785 21.632 1.00 0.00 H ATOM 1509 HD12 ILE A 106 25.816 1.387 22.776 1.00 0.00 H ATOM 1510 HD13 ILE A 106 25.309 0.581 21.271 1.00 0.00 H ATOM 1511 HG21 ILE A 106 27.517 4.784 23.312 1.00 0.00 H ATOM 1512 HG22 ILE A 106 25.781 4.726 22.919 1.00 0.00 H ATOM 1513 HG23 ILE A 106 26.588 3.292 23.601 1.00 0.00 H ATOM 1514 H ILE A 106 25.086 5.305 20.203 1.00 0.00 H ATOM 1515 N ILE A 107 28.890 3.999 18.968 1.00 17.10 N ATOM 1516 CA ILE A 107 29.324 3.409 17.692 1.00 16.14 C ATOM 1517 C ILE A 107 30.050 2.117 18.073 1.00 16.90 C ATOM 1518 O ILE A 107 31.001 2.149 18.863 1.00 18.11 O ATOM 1519 CB ILE A 107 30.292 4.348 16.938 1.00 17.17 C ATOM 1520 CG1 ILE A 107 29.572 5.657 16.587 1.00 18.67 C ATOM 1521 CG2 ILE A 107 30.839 3.666 15.669 1.00 18.71 C ATOM 1522 CD1 ILE A 107 30.486 6.742 16.046 1.00 22.27 C ATOM 1523 HA ILE A 107 28.475 3.236 17.030 1.00 0.00 H ATOM 1524 HB ILE A 107 31.140 4.574 17.584 1.00 0.00 H ATOM 1525 HG12 ILE A 107 28.815 5.440 15.834 1.00 0.00 H ATOM 1526 HG13 ILE A 107 29.089 6.034 17.488 1.00 0.00 H ATOM 1527 HD11 ILE A 107 31.244 6.982 16.792 1.00 0.00 H ATOM 1528 HD12 ILE A 107 30.970 6.387 15.136 1.00 0.00 H ATOM 1529 HD13 ILE A 107 29.898 7.633 15.823 1.00 0.00 H ATOM 1530 HG21 ILE A 107 31.375 2.759 15.948 1.00 0.00 H ATOM 1531 HG22 ILE A 107 30.010 3.411 15.009 1.00 0.00 H ATOM 1532 HG23 ILE A 107 31.518 4.347 15.156 1.00 0.00 H ATOM 1533 H ILE A 107 29.579 4.131 19.735 1.00 0.00 H ATOM 1534 N VAL A 108 29.544 1.002 17.549 1.00 16.88 N ATOM 1535 CA VAL A 108 30.151 -0.319 17.822 1.00 16.50 C ATOM 1536 C VAL A 108 30.556 -1.002 16.532 1.00 15.15 C ATOM 1537 O VAL A 108 30.005 -0.703 15.481 1.00 18.23 O ATOM 1538 CB VAL A 108 29.177 -1.242 18.602 1.00 17.24 C ATOM 1539 CG1 VAL A 108 28.902 -0.633 20.025 1.00 19.50 C ATOM 1540 CG2 VAL A 108 27.860 -1.523 17.798 1.00 18.47 C ATOM 1541 HA VAL A 108 31.035 -0.144 18.435 1.00 0.00 H ATOM 1542 HB VAL A 108 29.647 -2.216 18.736 1.00 0.00 H ATOM 1543 HG11 VAL A 108 29.841 -0.551 20.572 1.00 0.00 H ATOM 1544 HG12 VAL A 108 28.457 0.356 19.916 1.00 0.00 H ATOM 1545 HG13 VAL A 108 28.218 -1.283 20.571 1.00 0.00 H ATOM 1546 HG21 VAL A 108 27.350 -0.581 17.598 1.00 0.00 H ATOM 1547 HG22 VAL A 108 28.108 -2.010 16.855 1.00 0.00 H ATOM 1548 HG23 VAL A 108 27.210 -2.173 18.384 1.00 0.00 H ATOM 1549 H VAL A 108 28.706 1.061 16.936 1.00 0.00 H ATOM 1550 N ALA A 109 31.551 -1.894 16.610 1.00 15.39 N ATOM 1551 CA ALA A 109 31.877 -2.751 15.441 1.00 14.98 C ATOM 1552 C ALA A 109 31.196 -4.086 15.598 1.00 16.89 C ATOM 1553 O ALA A 109 31.172 -4.595 16.704 1.00 18.17 O ATOM 1554 CB ALA A 109 33.376 -2.981 15.348 1.00 17.96 C ATOM 1555 HA ALA A 109 31.533 -2.249 14.537 1.00 0.00 H ATOM 1556 HB1 ALA A 109 33.883 -2.023 15.236 1.00 0.00 H ATOM 1557 HB2 ALA A 109 33.724 -3.474 16.256 1.00 0.00 H ATOM 1558 HB3 ALA A 109 33.593 -3.611 14.485 1.00 0.00 H ATOM 1559 H ALA A 109 32.097 -1.987 17.490 1.00 0.00 H ATOM 1560 N CYS A 110 30.661 -4.620 14.507 1.00 14.97 N ATOM 1561 CA CYS A 110 29.936 -5.922 14.597 1.00 15.79 C ATOM 1562 C CYS A 110 30.601 -6.973 13.720 1.00 17.89 C ATOM 1563 O CYS A 110 31.182 -6.659 12.690 1.00 18.04 O ATOM 1564 CB CYS A 110 28.478 -5.746 14.234 1.00 17.99 C ATOM 1565 SG CYS A 110 27.662 -4.494 15.246 1.00 19.45 S ATOM 1566 HA CYS A 110 29.984 -6.272 15.628 1.00 0.00 H ATOM 1567 HB2 CYS A 110 27.965 -6.698 14.373 1.00 0.00 H ATOM 1568 HB3 CYS A 110 28.411 -5.448 13.188 1.00 0.00 H ATOM 1569 H CYS A 110 30.747 -4.133 13.592 1.00 0.00 H ATOM 1570 N GLU A 111 30.464 -8.245 14.124 1.00 17.67 N ATOM 1571 CA GLU A 111 31.042 -9.352 13.358 1.00 17.29 C ATOM 1572 C GLU A 111 30.245 -10.569 13.706 1.00 19.70 C ATOM 1573 O GLU A 111 29.652 -10.648 14.799 1.00 20.18 O ATOM 1574 CB GLU A 111 32.484 -9.683 13.814 1.00 17.58 C ATOM 1575 CG GLU A 111 33.487 -8.628 13.429 1.00 21.95 C ATOM 1576 CD GLU A 111 34.956 -9.087 13.585 1.00 29.43 C ATOM 1577 OE1 GLU A 111 35.315 -9.671 14.618 1.00 32.64 O ATOM 1578 OE2 GLU A 111 35.741 -8.834 12.662 1.00 40.50 O ATOM 1579 HA GLU A 111 31.038 -9.079 12.303 1.00 0.00 H ATOM 1580 HB2 GLU A 111 32.489 -9.786 14.899 1.00 0.00 H ATOM 1581 HB3 GLU A 111 32.783 -10.627 13.359 1.00 0.00 H ATOM 1582 HG2 GLU A 111 33.319 -8.356 12.387 1.00 0.00 H ATOM 1583 HG3 GLU A 111 33.329 -7.754 14.061 1.00 0.00 H ATOM 1584 H GLU A 111 29.938 -8.449 14.997 1.00 0.00 H ATOM 1585 N GLY A 112 30.274 -11.527 12.785 1.00 18.83 N ATOM 1586 CA GLY A 112 29.872 -12.903 13.128 1.00 22.30 C ATOM 1587 C GLY A 112 28.549 -13.294 12.536 1.00 23.19 C ATOM 1588 O GLY A 112 27.842 -12.493 11.937 1.00 23.63 O ATOM 1589 HA3 GLY A 112 29.805 -12.985 14.213 1.00 0.00 H ATOM 1590 HA2 GLY A 112 30.634 -13.590 12.759 1.00 0.00 H ATOM 1591 H GLY A 112 30.582 -11.304 11.817 1.00 0.00 H ATOM 1592 N ASN A 113 28.204 -14.578 12.722 1.00 25.28 N ATOM 1593 CA ASN A 113 26.836 -15.029 12.520 1.00 26.92 C ATOM 1594 C ASN A 113 26.469 -15.810 13.793 1.00 28.62 C ATOM 1595 O ASN A 113 27.019 -16.911 14.019 1.00 30.91 O ATOM 1596 CB ASN A 113 26.699 -15.904 11.259 1.00 28.98 C ATOM 1597 CG ASN A 113 25.250 -16.372 11.023 1.00 35.22 C ATOM 1598 OD1 ASN A 113 24.318 -15.897 11.667 1.00 39.84 O ATOM 1599 ND2 ASN A 113 25.072 -17.306 10.097 1.00 42.58 N ATOM 1600 HA ASN A 113 26.162 -14.188 12.357 1.00 0.00 H ATOM 1601 HB2 ASN A 113 27.026 -15.326 10.394 1.00 0.00 H ATOM 1602 HB3 ASN A 113 27.337 -16.781 11.370 1.00 0.00 H ATOM 1603 HD22 ASN A 113 25.888 -17.682 9.574 1.00 0.00 H ATOM 1604 HD21 ASN A 113 24.116 -17.662 9.894 1.00 0.00 H ATOM 1605 H ASN A 113 28.929 -15.263 13.016 1.00 0.00 H ATOM 1606 N PRO A 114 25.602 -15.239 14.645 1.00 28.53 N ATOM 1607 CA PRO A 114 24.840 -13.990 14.451 1.00 26.95 C ATOM 1608 C PRO A 114 25.735 -12.759 14.460 1.00 24.49 C ATOM 1609 O PRO A 114 26.824 -12.785 15.036 1.00 24.93 O ATOM 1610 CB PRO A 114 23.940 -13.912 15.685 1.00 28.64 C ATOM 1611 CG PRO A 114 24.263 -15.117 16.529 1.00 31.94 C ATOM 1612 CD PRO A 114 25.500 -15.731 16.034 1.00 30.49 C ATOM 1613 HA PRO A 114 24.317 -14.004 13.495 1.00 0.00 H ATOM 1614 HD3 PRO A 114 26.358 -15.409 16.625 1.00 0.00 H ATOM 1615 HD2 PRO A 114 25.431 -16.819 16.058 1.00 0.00 H ATOM 1616 HG3 PRO A 114 23.447 -15.837 16.466 1.00 0.00 H ATOM 1617 HG2 PRO A 114 24.397 -14.811 17.567 1.00 0.00 H ATOM 1618 HB2 PRO A 114 24.143 -12.997 16.242 1.00 0.00 H ATOM 1619 HB3 PRO A 114 22.891 -13.930 15.388 1.00 0.00 H ATOM 1620 N TYR A 115 25.254 -11.688 13.831 1.00 21.79 N ATOM 1621 CA TYR A 115 26.046 -10.435 13.741 1.00 21.25 C ATOM 1622 C TYR A 115 25.855 -9.577 14.994 1.00 20.25 C ATOM 1623 O TYR A 115 24.776 -9.006 15.218 1.00 22.57 O ATOM 1624 CB TYR A 115 25.564 -9.686 12.556 1.00 21.39 C ATOM 1625 CG TYR A 115 26.493 -8.664 11.953 1.00 19.19 C ATOM 1626 CD1 TYR A 115 27.776 -9.014 11.507 1.00 19.41 C ATOM 1627 CD2 TYR A 115 26.049 -7.360 11.764 1.00 18.43 C ATOM 1628 CE1 TYR A 115 28.605 -8.043 10.863 1.00 19.55 C ATOM 1629 CE2 TYR A 115 26.835 -6.417 11.145 1.00 15.86 C ATOM 1630 CZ TYR A 115 28.119 -6.765 10.708 1.00 20.86 C ATOM 1631 OH TYR A 115 28.903 -5.806 10.093 1.00 21.09 O ATOM 1632 HA TYR A 115 27.106 -10.674 13.655 1.00 0.00 H ATOM 1633 HB3 TYR A 115 24.651 -9.166 12.847 1.00 0.00 H ATOM 1634 HB2 TYR A 115 25.333 -10.416 11.780 1.00 0.00 H ATOM 1635 HD2 TYR A 115 25.056 -7.079 12.114 1.00 0.00 H ATOM 1636 HE2 TYR A 115 26.461 -5.404 10.995 1.00 0.00 H ATOM 1637 HE1 TYR A 115 29.599 -8.309 10.503 1.00 0.00 H ATOM 1638 HD1 TYR A 115 28.143 -10.030 11.652 1.00 0.00 H ATOM 1639 HH TYR A 115 28.444 -5.479 9.279 1.00 0.00 H ATOM 1640 H TYR A 115 24.310 -11.730 13.397 1.00 0.00 H ATOM 1641 N VAL A 116 26.898 -9.487 15.806 1.00 19.38 N ATOM 1642 CA VAL A 116 26.789 -8.940 17.160 1.00 20.83 C ATOM 1643 C VAL A 116 27.947 -7.984 17.460 1.00 21.55 C ATOM 1644 O VAL A 116 28.981 -8.042 16.785 1.00 18.87 O ATOM 1645 CB VAL A 116 26.781 -10.088 18.225 1.00 23.01 C ATOM 1646 CG1 VAL A 116 25.478 -10.931 18.108 1.00 25.71 C ATOM 1647 CG2 VAL A 116 28.031 -10.968 18.129 1.00 25.82 C ATOM 1648 HA VAL A 116 25.849 -8.391 17.215 1.00 0.00 H ATOM 1649 HB VAL A 116 26.800 -9.626 19.212 1.00 0.00 H ATOM 1650 HG11 VAL A 116 24.614 -10.287 18.274 1.00 0.00 H ATOM 1651 HG12 VAL A 116 25.419 -11.371 17.112 1.00 0.00 H ATOM 1652 HG13 VAL A 116 25.491 -11.724 18.856 1.00 0.00 H ATOM 1653 HG21 VAL A 116 28.079 -11.421 17.139 1.00 0.00 H ATOM 1654 HG22 VAL A 116 28.918 -10.356 18.294 1.00 0.00 H ATOM 1655 HG23 VAL A 116 27.982 -11.750 18.886 1.00 0.00 H ATOM 1656 H VAL A 116 27.826 -9.816 15.470 1.00 0.00 H ATOM 1657 N PRO A 117 27.772 -7.090 18.441 1.00 20.70 N ATOM 1658 CA PRO A 117 28.866 -6.170 18.776 1.00 20.95 C ATOM 1659 C PRO A 117 30.081 -6.894 19.346 1.00 20.64 C ATOM 1660 O PRO A 117 29.951 -7.753 20.265 1.00 21.73 O ATOM 1661 CB PRO A 117 28.248 -5.239 19.850 1.00 23.61 C ATOM 1662 CG PRO A 117 26.791 -5.382 19.707 1.00 22.81 C ATOM 1663 CD PRO A 117 26.562 -6.823 19.249 1.00 23.05 C ATOM 1664 HA PRO A 117 29.231 -5.643 17.894 1.00 0.00 H ATOM 1665 HD3 PRO A 117 26.496 -7.502 20.099 1.00 0.00 H ATOM 1666 HD2 PRO A 117 25.658 -6.908 18.647 1.00 0.00 H ATOM 1667 HG3 PRO A 117 26.411 -4.681 18.964 1.00 0.00 H ATOM 1668 HG2 PRO A 117 26.295 -5.202 20.661 1.00 0.00 H ATOM 1669 HB2 PRO A 117 28.565 -5.545 20.847 1.00 0.00 H ATOM 1670 HB3 PRO A 117 28.548 -4.206 19.676 1.00 0.00 H ATOM 1671 N VAL A 118 31.258 -6.520 18.843 1.00 19.72 N ATOM 1672 CA VAL A 118 32.538 -7.046 19.366 1.00 20.49 C ATOM 1673 C VAL A 118 33.540 -5.996 19.875 1.00 21.57 C ATOM 1674 O VAL A 118 34.531 -6.334 20.527 1.00 21.54 O ATOM 1675 CB VAL A 118 33.231 -7.987 18.340 1.00 21.52 C ATOM 1676 CG1 VAL A 118 32.331 -9.175 18.078 1.00 21.32 C ATOM 1677 CG2 VAL A 118 33.577 -7.286 17.020 1.00 22.85 C ATOM 1678 HA VAL A 118 32.237 -7.608 20.251 1.00 0.00 H ATOM 1679 HB VAL A 118 34.178 -8.309 18.774 1.00 0.00 H ATOM 1680 HG11 VAL A 118 32.158 -9.711 19.011 1.00 0.00 H ATOM 1681 HG12 VAL A 118 31.380 -8.827 17.675 1.00 0.00 H ATOM 1682 HG13 VAL A 118 32.810 -9.840 17.359 1.00 0.00 H ATOM 1683 HG21 VAL A 118 32.663 -6.910 16.560 1.00 0.00 H ATOM 1684 HG22 VAL A 118 34.255 -6.455 17.218 1.00 0.00 H ATOM 1685 HG23 VAL A 118 34.058 -7.997 16.348 1.00 0.00 H ATOM 1686 H VAL A 118 31.277 -5.837 18.059 1.00 0.00 H ATOM 1687 N HIS A 119 33.292 -4.730 19.560 1.00 20.38 N ATOM 1688 CA HIS A 119 34.256 -3.686 19.908 1.00 20.67 C ATOM 1689 C HIS A 119 33.456 -2.402 20.069 1.00 19.19 C ATOM 1690 O HIS A 119 32.523 -2.165 19.296 1.00 19.56 O ATOM 1691 CB HIS A 119 35.244 -3.520 18.739 1.00 22.10 C ATOM 1692 CG HIS A 119 36.023 -2.240 18.753 1.00 23.37 C ATOM 1693 ND1 HIS A 119 37.004 -1.977 19.681 1.00 30.33 N ATOM 1694 CD2 HIS A 119 35.969 -1.152 17.945 1.00 26.00 C ATOM 1695 CE1 HIS A 119 37.532 -0.784 19.442 1.00 29.46 C ATOM 1696 NE2 HIS A 119 36.924 -0.268 18.393 1.00 22.89 N ATOM 1697 HA HIS A 119 34.809 -3.929 20.816 1.00 0.00 H ATOM 1698 HB2 HIS A 119 35.952 -4.349 18.772 1.00 0.00 H ATOM 1699 HB3 HIS A 119 34.679 -3.563 17.808 1.00 0.00 H ATOM 1700 HD2 HIS A 119 35.296 -1.005 17.100 1.00 0.00 H ATOM 1701 HE1 HIS A 119 38.331 -0.312 20.014 1.00 0.00 H ATOM 1702 H HIS A 119 32.412 -4.480 19.066 1.00 0.00 H ATOM 1703 N PHE A 120 33.815 -1.604 21.060 1.00 18.26 N ATOM 1704 CA PHE A 120 33.165 -0.303 21.233 1.00 17.60 C ATOM 1705 C PHE A 120 34.080 0.751 20.614 1.00 18.69 C ATOM 1706 O PHE A 120 35.219 0.914 21.061 1.00 20.62 O ATOM 1707 CB PHE A 120 32.958 -0.044 22.697 1.00 18.12 C ATOM 1708 CG PHE A 120 32.145 1.186 22.960 1.00 19.54 C ATOM 1709 CD1 PHE A 120 32.756 2.444 23.027 1.00 24.20 C ATOM 1710 CD2 PHE A 120 30.787 1.069 23.138 1.00 25.97 C ATOM 1711 CE1 PHE A 120 31.968 3.595 23.264 1.00 26.12 C ATOM 1712 CE2 PHE A 120 29.997 2.208 23.371 1.00 26.54 C ATOM 1713 CZ PHE A 120 30.601 3.461 23.431 1.00 26.06 C ATOM 1714 HA PHE A 120 32.190 -0.276 20.746 1.00 0.00 H ATOM 1715 HB2 PHE A 120 32.445 -0.901 23.133 1.00 0.00 H ATOM 1716 HB3 PHE A 120 33.932 0.074 23.171 1.00 0.00 H ATOM 1717 HD2 PHE A 120 30.319 0.085 23.098 1.00 0.00 H ATOM 1718 HE2 PHE A 120 28.919 2.111 23.504 1.00 0.00 H ATOM 1719 HZ PHE A 120 29.991 4.346 23.611 1.00 0.00 H ATOM 1720 HE1 PHE A 120 32.434 4.579 23.315 1.00 0.00 H ATOM 1721 HD1 PHE A 120 33.834 2.536 22.897 1.00 0.00 H ATOM 1722 H PHE A 120 34.562 -1.901 21.720 1.00 0.00 H ATOM 1723 N ASP A 121 33.607 1.449 19.586 1.00 17.67 N ATOM 1724 CA ASP A 121 34.496 2.354 18.846 1.00 17.28 C ATOM 1725 C ASP A 121 34.519 3.787 19.367 1.00 20.22 C ATOM 1726 O ASP A 121 35.600 4.384 19.539 1.00 22.52 O ATOM 1727 CB ASP A 121 34.164 2.365 17.369 1.00 18.35 C ATOM 1728 CG ASP A 121 35.385 2.599 16.495 1.00 21.69 C ATOM 1729 OD1 ASP A 121 36.420 1.948 16.755 1.00 21.12 O ATOM 1730 OD2 ASP A 121 35.253 3.331 15.485 1.00 20.44 O ATOM 1731 HA ASP A 121 35.494 1.946 19.006 1.00 0.00 H ATOM 1732 HB2 ASP A 121 33.724 1.404 17.103 1.00 0.00 H ATOM 1733 HB3 ASP A 121 33.442 3.159 17.180 1.00 0.00 H ATOM 1734 H ASP A 121 32.610 1.354 19.307 1.00 0.00 H ATOM 1735 N ALA A 122 33.343 4.342 19.635 1.00 19.09 N ATOM 1736 CA ALA A 122 33.258 5.761 20.005 1.00 19.58 C ATOM 1737 C ALA A 122 31.878 6.092 20.481 1.00 20.43 C ATOM 1738 O ALA A 122 30.932 5.330 20.272 1.00 19.86 O ATOM 1739 CB ALA A 122 33.551 6.592 18.768 1.00 20.33 C ATOM 1740 HA ALA A 122 33.972 5.971 20.801 1.00 0.00 H ATOM 1741 HB1 ALA A 122 34.551 6.358 18.404 1.00 0.00 H ATOM 1742 HB2 ALA A 122 32.818 6.361 17.995 1.00 0.00 H ATOM 1743 HB3 ALA A 122 33.493 7.651 19.021 1.00 0.00 H ATOM 1744 H ALA A 122 32.477 3.769 19.583 1.00 0.00 H ATOM 1745 N SER A 123 31.746 7.259 21.100 1.00 22.65 N ATOM 1746 CA SER A 123 30.422 7.778 21.396 1.00 24.28 C ATOM 1747 C SER A 123 30.424 9.184 20.869 1.00 26.33 C ATOM 1748 O SER A 123 31.455 9.860 20.932 1.00 28.19 O ATOM 1749 CB SER A 123 30.145 7.754 22.905 1.00 25.40 C ATOM 1750 OG SER A 123 31.055 8.613 23.584 1.00 29.77 O ATOM 1751 HA SER A 123 29.638 7.175 20.937 1.00 0.00 H ATOM 1752 HB2 SER A 123 30.263 6.736 23.277 1.00 0.00 H ATOM 1753 HB3 SER A 123 29.125 8.091 23.090 1.00 0.00 H ATOM 1754 HG SER A 123 30.947 9.538 23.248 1.00 0.00 H ATOM 1755 H SER A 123 32.590 7.801 21.373 1.00 0.00 H ATOM 1756 N VAL A 124 29.275 9.607 20.355 1.00 25.42 N ATOM 1757 CA VAL A 124 29.114 10.911 19.706 1.00 27.83 C ATOM 1758 C VAL A 124 27.786 11.538 20.082 1.00 29.09 C ATOM 1759 O VAL A 124 26.809 10.876 20.472 1.00 27.72 O ATOM 1760 CB VAL A 124 29.183 10.851 18.146 1.00 27.37 C ATOM 1761 CG1 VAL A 124 30.521 10.288 17.647 1.00 33.79 C ATOM 1762 CG2 VAL A 124 28.009 10.082 17.570 1.00 33.63 C ATOM 1763 HA VAL A 124 29.953 11.509 20.063 1.00 0.00 H ATOM 1764 OXT VAL A 124 27.671 12.760 19.952 1.00 31.05 O ATOM 1765 HB VAL A 124 29.117 11.877 17.785 1.00 0.00 H ATOM 1766 HG11 VAL A 124 31.335 10.922 17.999 1.00 0.00 H ATOM 1767 HG12 VAL A 124 30.655 9.277 18.032 1.00 0.00 H ATOM 1768 HG13 VAL A 124 30.521 10.266 16.557 1.00 0.00 H ATOM 1769 HG21 VAL A 124 28.019 9.063 17.957 1.00 0.00 H ATOM 1770 HG22 VAL A 124 27.079 10.572 17.857 1.00 0.00 H ATOM 1771 HG23 VAL A 124 28.089 10.060 16.483 1.00 0.00 H ATOM 1772 H VAL A 124 28.447 8.981 20.416 1.00 0.00 H TER 1773 VAL A 124 HETATM 1774 O HOH 1 32.997 -13.819 29.346 1.00 51.96 O HETATM 1775 O HOH 2 35.196 -14.824 19.360 1.00 51.64 O HETATM 1776 O HOH 3 30.641 -12.090 29.178 1.00 44.00 O HETATM 1777 O HOH 4 24.657 -12.986 25.789 1.00 46.00 O HETATM 1778 O HOH 5 24.385 -12.459 28.348 1.00 69.42 O HETATM 1779 O HOH 6 37.443 -12.448 32.792 1.00 57.66 O HETATM 1780 O HOH 7 24.790 -1.524 6.370 1.00 40.12 O HETATM 1781 O HOH 8 35.219 5.911 40.221 1.00 45.66 O HETATM 1782 O HOH 9 32.567 8.575 47.070 1.00 39.37 O HETATM 1783 O HOH 10 27.875 -14.804 19.258 1.00 42.51 O HETATM 1784 O HOH 11 40.261 1.523 16.384 1.00 38.85 O HETATM 1785 O HOH 12 41.860 2.169 26.885 1.00 54.58 O HETATM 1786 O HOH 13 35.301 1.897 25.752 1.00 32.08 O HETATM 1787 O HOH 14 18.290 5.881 27.210 1.00 50.05 O HETATM 1788 O HOH 15 15.245 -4.792 25.261 1.00 55.82 O HETATM 1789 O HOH 16 18.433 -7.068 19.141 1.00 43.36 O HETATM 1790 O HOH 17 18.683 -0.070 19.590 1.00 27.74 O HETATM 1791 O HOH 18 16.272 -1.540 19.647 1.00 53.34 O HETATM 1792 O HOH 19 17.535 -0.392 26.946 1.00 33.93 O HETATM 1793 O HOH 20 26.114 -10.456 22.310 1.00 34.78 O HETATM 1794 O HOH 21 17.668 -2.258 14.566 1.00 32.68 O HETATM 1795 O HOH 22 19.473 -2.819 8.705 1.00 30.67 O HETATM 1796 O HOH 23 22.996 -1.050 8.674 1.00 46.75 O HETATM 1797 O HOH 24 18.829 3.484 18.312 1.00 31.56 O HETATM 1798 O HOH 25 22.435 10.158 8.586 1.00 43.10 O HETATM 1799 O HOH 26 32.783 7.542 11.182 1.00 26.03 O HETATM 1800 O HOH 27 42.268 4.834 10.368 1.00 33.14 O HETATM 1801 O HOH 28 41.676 6.817 13.407 1.00 44.82 O HETATM 1802 O HOH 29 41.384 -0.525 7.498 1.00 48.36 O HETATM 1803 O HOH 30 29.602 9.734 13.181 1.00 46.19 O HETATM 1804 O HOH 31 19.195 1.153 9.503 1.00 28.14 O HETATM 1805 O HOH 32 17.745 2.455 20.834 1.00 40.18 O HETATM 1806 O HOH 33 52.815 0.583 39.206 1.00 39.82 O HETATM 1807 O HOH 34 35.053 10.213 32.844 1.00 45.86 O HETATM 1808 O HOH 35 32.195 -7.441 10.078 1.00 20.58 O HETATM 1809 O HOH 36 34.971 -7.819 10.128 1.00 23.03 O HETATM 1810 O HOH 37 30.792 -12.502 16.902 1.00 32.81 O HETATM 1811 O HOH 38 26.277 -12.818 9.571 1.00 27.36 O HETATM 1812 O HOH 39 28.585 -14.329 16.505 1.00 32.45 O HETATM 1813 O HOH 40 22.507 -12.174 13.082 1.00 38.33 O HETATM 1814 O HOH 41 23.027 -8.046 16.716 1.00 41.07 O HETATM 1815 O HOH 42 28.250 -8.803 22.116 1.00 27.24 O HETATM 1816 O HOH 43 35.482 -8.132 22.094 1.00 39.58 O HETATM 1817 O HOH 44 33.804 5.403 14.259 1.00 25.19 O HETATM 1818 O HOH 45 38.136 0.875 14.823 1.00 21.92 O HETATM 1819 O HOH 46 34.389 8.595 21.518 1.00 45.28 O HETATM 1820 O HOH 47 33.638 10.673 19.274 1.00 43.23 O HETATM 1821 O HOH 48 36.571 0.552 23.770 1.00 38.41 O HETATM 1822 O HOH 49 34.912 -5.443 23.649 1.00 30.50 O HETATM 1823 PG ATP A 50 37.421 -2.885 22.932 1.00 0.19 P HETATM 1824 O1G ATP A 50 38.070 -1.524 23.040 1.00 -0.61 O HETATM 1825 O2G ATP A 50 37.774 -3.674 21.691 1.00 -0.61 O HETATM 1826 O3G ATP A 50 35.925 -2.836 23.074 1.00 -0.61 O HETATM 1827 O3B ATP A 50 38.130 -3.759 24.080 1.00 -0.15 O HETATM 1828 PB ATP A 50 39.703 -4.174 24.013 1.00 0.36 P HETATM 1829 O1B ATP A 50 40.113 -4.719 25.353 1.00 -0.57 O HETATM 1830 O2B ATP A 50 39.912 -5.021 22.774 1.00 -0.57 O HETATM 1831 O3A ATP A 50 40.512 -2.785 23.839 1.00 -0.12 O HETATM 1832 PA ATP A 50 41.736 -2.575 22.793 1.00 0.33 P HETATM 1833 O1A ATP A 50 42.604 -1.448 23.289 1.00 -0.57 O HETATM 1834 O2A ATP A 50 42.390 -3.903 22.485 1.00 -0.57 O HETATM 1835 O5' ATP A 50 40.942 -2.046 21.486 1.00 -0.24 O HETATM 1836 C5' ATP A 50 41.342 -2.383 20.162 1.00 0.11 C HETATM 1837 C4' ATP A 50 40.635 -3.670 19.767 1.00 0.12 C HETATM 1838 O4' ATP A 50 39.477 -3.411 18.972 1.00 -0.34 O HETATM 1839 C1' ATP A 50 39.437 -4.291 17.849 1.00 0.20 C HETATM 1840 C2' ATP A 50 40.915 -4.572 17.562 1.00 0.14 C HETATM 1841 C3' ATP A 50 41.542 -4.560 18.944 1.00 0.11 C HETATM 1842 O3' ATP A 50 41.477 -5.858 19.538 1.00 -0.39 O HETATM 1843 H5 ATP A 50 42.034 -6.455 19.053 1.00 0.21 H HETATM 1844 H4 ATP A 50 42.577 -4.189 18.913 1.00 0.06 H HETATM 1845 O2' ATP A 50 41.131 -5.815 16.873 1.00 -0.38 O HETATM 1846 H7 ATP A 50 40.749 -6.525 17.375 1.00 0.21 H HETATM 1847 H6 ATP A 50 41.338 -3.763 16.948 1.00 0.07 H HETATM 1848 N9 ATP A 50 38.758 -3.636 16.693 1.00 -0.19 N HETATM 1849 C8 ATP A 50 38.949 -2.352 16.314 1.00 0.11 C HETATM 1850 N7 ATP A 50 38.195 -2.024 15.251 1.00 -0.30 N HETATM 1851 C5 ATP A 50 37.493 -3.137 14.944 1.00 0.10 C HETATM 1852 C6 ATP A 50 36.519 -3.492 13.933 1.00 0.13 C HETATM 1853 N6 ATP A 50 36.183 -2.558 13.019 1.00 -0.32 N HETATM 1854 H10 ATP A 50 35.493 -2.779 12.287 1.00 0.18 H HETATM 1855 H11 ATP A 50 36.616 -1.624 13.054 1.00 0.18 H HETATM 1856 N1 ATP A 50 36.004 -4.773 13.958 1.00 -0.27 N HETATM 1857 C2 ATP A 50 36.376 -5.694 14.865 1.00 0.05 C HETATM 1858 N3 ATP A 50 37.278 -5.433 15.832 1.00 -0.27 N HETATM 1859 C4 ATP A 50 37.862 -4.195 15.897 1.00 0.16 C HETATM 1860 H12 ATP A 50 35.934 -6.683 14.816 1.00 0.10 H HETATM 1861 H9 ATP A 50 39.633 -1.665 16.811 1.00 0.13 H HETATM 1862 H8 ATP A 50 38.908 -5.222 18.099 1.00 0.10 H HETATM 1863 H3 ATP A 50 40.336 -4.200 20.684 1.00 0.07 H HETATM 1864 H1 ATP A 50 42.431 -2.531 20.128 1.00 0.06 H HETATM 1865 H2 ATP A 50 41.060 -1.575 19.471 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 343 342 1224 CONECT 580 579 1359 CONECT 848 847 1565 CONECT 948 947 1046 CONECT 1046 948 1045 CONECT 1224 343 1223 CONECT 1359 580 1358 CONECT 1565 848 1564 CONECT 1823 1824 1825 1826 1827 CONECT 1824 1823 CONECT 1825 1823 CONECT 1826 1823 CONECT 1827 1823 1828 CONECT 1828 1827 1829 1830 1831 CONECT 1829 1828 CONECT 1830 1828 CONECT 1831 1828 1832 CONECT 1832 1831 1833 1834 1835 CONECT 1833 1832 CONECT 1834 1832 CONECT 1835 1832 1836 CONECT 1836 1835 1837 1864 1865 CONECT 1837 1836 1838 1841 1863 CONECT 1838 1837 1839 CONECT 1839 1838 1840 1848 1862 CONECT 1840 1839 1841 1845 1847 CONECT 1841 1837 1840 1842 1844 CONECT 1842 1841 1843 CONECT 1843 1842 CONECT 1844 1841 CONECT 1845 1840 1846 CONECT 1846 1845 CONECT 1847 1840 CONECT 1848 1839 1849 1859 CONECT 1849 1848 1850 1861 CONECT 1850 1849 1851 CONECT 1851 1850 1852 1859 CONECT 1852 1851 1853 1856 CONECT 1853 1852 1854 1855 CONECT 1854 1853 CONECT 1855 1853 CONECT 1856 1852 1857 CONECT 1857 1856 1858 1860 CONECT 1858 1857 1859 CONECT 1859 1848 1851 1858 CONECT 1860 1857 CONECT 1861 1849 CONECT 1862 1839 CONECT 1863 1837 CONECT 1864 1836 CONECT 1865 1836 MASTER 0 0 0 0 0 0 0 0 1864 1 55 10 END
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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%
1afl
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PDBbind
124aa, >1AFL_1|Chains... at 99%
1dfj
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124aa, >1DFJ_1|Chain... at 99%
1j7z
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1j80
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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%
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%
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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
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124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
PDBbind
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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%
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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%
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
1b38
RCSB PDB
PDBbind
ATP
1b39
RCSB PDB
PDBbind
ATP
1gz3
RCSB PDB
PDBbind
ATP
1gz4
RCSB PDB
PDBbind
ATP
1m83
RCSB PDB
PDBbind
ATP
1mau
RCSB PDB
PDBbind
ATP
1maw
RCSB PDB
PDBbind
ATP
1r0x
RCSB PDB
PDBbind
ATP
1r10
RCSB PDB
PDBbind
ATP
1vjc
RCSB PDB
PDBbind
ATP
1vjd
RCSB PDB
PDBbind
ATP
1xsc
RCSB PDB
PDBbind
ATP
1y8p
RCSB PDB
PDBbind
ATP
1yid
RCSB PDB
PDBbind
ATP
2cbz
RCSB PDB
PDBbind
ATP
2e5y
RCSB PDB
PDBbind
ATP
2fgh
RCSB PDB
PDBbind
ATP
2hmu
RCSB PDB
PDBbind
ATP
2hmw
RCSB PDB
PDBbind
ATP
2j9l
RCSB PDB
PDBbind
ATP
2kmx
RCSB PDB
PDBbind
ATP
2p09
RCSB PDB
PDBbind
ATP
2p0x
RCSB PDB
PDBbind
ATP
2pze
RCSB PDB
PDBbind
ATP
2vhq
RCSB PDB
PDBbind
ATP
2vt3
RCSB PDB
PDBbind
ATP
2w5i
RCSB PDB
PDBbind
ATP
2xbp
RCSB PDB
PDBbind
ATP
2ych
RCSB PDB
PDBbind
ATP
3b2q
RCSB PDB
PDBbind
ATP
3d2e
RCSB PDB
PDBbind
ATP
3dgl
RCSB PDB
PDBbind
ATP
3dgo
RCSB PDB
PDBbind
ATP
3dnt
RCSB PDB
PDBbind
ATP
3efs
RCSB PDB
PDBbind
ATP
3lf0
RCSB PDB
PDBbind
ATP
3ncq
RCSB PDB
PDBbind
ATP
3qo3
RCSB PDB
PDBbind
ATP
3qx9
RCSB PDB
PDBbind
ATP
3qxc
RCSB PDB
PDBbind
ATP
3ta0
RCSB PDB
PDBbind
ATP
3umo
RCSB PDB
PDBbind
ATP
3ump
RCSB PDB
PDBbind
ATP
4fut
RCSB PDB
PDBbind
ATP
4fvq
RCSB PDB
PDBbind
ATP
4fvr
RCSB PDB
PDBbind
ATP
4jn4
RCSB PDB
PDBbind
ATP
4jne
RCSB PDB
PDBbind
ATP
4k8o
RCSB PDB
PDBbind
ATP
4ozn
RCSB PDB
PDBbind
ATP
4usw
RCSB PDB
PDBbind
ATP
4wz6
RCSB PDB
PDBbind
ATP
4yb7
RCSB PDB
PDBbind
ATP
5d6j
RCSB PDB
PDBbind
ATP
5eou
RCSB PDB
PDBbind
ATP
5f1c
RCSB PDB
PDBbind
ATP
5f1x
RCSB PDB
PDBbind
ATP
5ldk
RCSB PDB
PDBbind
ATP
5ldp
RCSB PDB
PDBbind
ATP
5svk
RCSB PDB
PDBbind
ATP
5svl
RCSB PDB
PDBbind
ATP
5tgc
RCSB PDB
PDBbind
ATP
5v2l
RCSB PDB
PDBbind
ATP
5wrs
RCSB PDB
PDBbind
ATP
5x9h
RCSB PDB
PDBbind
ATP
5z68
RCSB PDB
PDBbind
ATP
6cvv
RCSB PDB
PDBbind
ATP
6r4s
RCSB PDB
PDBbind
ATP
6ntb
RCSB PDB
PDBbind
ATP
6mm2
RCSB PDB
PDBbind
ATP
6h78
RCSB PDB
PDBbind
ATP
6h77
RCSB PDB
PDBbind
ATP
6aec
RCSB PDB
PDBbind
ATP
5xvu
RCSB PDB
PDBbind
ATP
Entry Information
PDB ID
2w5g
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
RIBONUCLEASE PANCREATIC
Ligand Name
ATP
EC.Number
E.C.3.1.27.5
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=860nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Biopolymers Vol. 91: pp. 995-1008
Ligand Properties
Formula
C
1
0
H
1
9
N
5
O
1
3
P
3
Molecular Weight
510.205
Exact Mass
510.019
No. of atoms
50
No. of bonds
52
Polar Surface Area
329.38
LOGP Value
-6.07 (
Computed with XLOGP3
)
-2.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(OP(O)(O)O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H22N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-24,29-31H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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