Browse entries in the PDBbind-CN Database
HEADER 1JVU_COMPLEX COMPND 1JVU_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 C A 2P 33 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 37.594 -20.231 27.869 1.00 74.41 N ATOM 2 CA LYS A 1 37.771 -19.049 26.970 1.00 71.99 C ATOM 3 C LYS A 1 36.531 -18.169 27.151 1.00 68.58 C ATOM 4 O LYS A 1 35.739 -18.406 28.083 1.00 73.26 O ATOM 5 CB LYS A 1 37.901 -19.502 25.508 1.00 72.82 C ATOM 6 HA LYS A 1 38.679 -18.500 27.220 1.00 0.00 H ATOM 7 HB2 LYS A 1 38.766 -20.157 25.408 1.00 0.00 H ATOM 8 HB3 LYS A 1 37.000 -20.040 25.214 1.00 0.00 H ATOM 9 HN3 LYS A 1 36.732 -20.745 27.598 1.00 0.00 H ATOM 10 HN2 LYS A 1 37.510 -19.907 28.854 1.00 0.00 H ATOM 11 HN1 LYS A 1 38.417 -20.860 27.779 1.00 0.00 H ATOM 12 N GLU A 2 36.357 -17.189 26.260 1.00 55.52 N ATOM 13 CA GLU A 2 35.222 -16.261 26.297 1.00 42.27 C ATOM 14 C GLU A 2 35.053 -15.809 24.850 1.00 34.01 C ATOM 15 O GLU A 2 36.047 -15.495 24.200 1.00 34.96 O ATOM 16 CB GLU A 2 35.572 -15.052 27.181 1.00 38.57 C ATOM 17 CG GLU A 2 34.414 -14.121 27.503 1.00 35.29 C ATOM 18 CD GLU A 2 34.771 -13.004 28.499 1.00 31.53 C ATOM 19 OE1 GLU A 2 35.834 -12.349 28.338 1.00 25.32 O ATOM 20 OE2 GLU A 2 33.952 -12.781 29.425 1.00 30.47 O ATOM 21 HA GLU A 2 34.319 -16.717 26.702 1.00 0.00 H ATOM 22 HB2 GLU A 2 35.973 -15.428 28.122 1.00 0.00 H ATOM 23 HB3 GLU A 2 36.338 -14.471 26.668 1.00 0.00 H ATOM 24 HG2 GLU A 2 34.076 -13.659 26.575 1.00 0.00 H ATOM 25 HG3 GLU A 2 33.604 -14.714 27.928 1.00 0.00 H ATOM 26 H GLU A 2 37.061 -17.079 25.503 1.00 0.00 H ATOM 27 N THR A 3 33.835 -15.842 24.315 1.00 30.19 N ATOM 28 CA THR A 3 33.632 -15.387 22.930 1.00 25.63 C ATOM 29 C THR A 3 33.678 -13.877 22.907 1.00 22.49 C ATOM 30 O THR A 3 33.469 -13.226 23.945 1.00 21.90 O ATOM 31 CB THR A 3 32.272 -15.772 22.367 1.00 26.92 C ATOM 32 OG1 THR A 3 31.254 -15.155 23.151 1.00 25.35 O ATOM 33 CG2 THR A 3 32.084 -17.279 22.364 1.00 31.21 C ATOM 34 HA THR A 3 34.413 -15.857 22.332 1.00 0.00 H ATOM 35 HB THR A 3 32.209 -15.428 21.335 1.00 0.00 H ATOM 36 HG1 THR A 3 31.364 -14.172 23.117 1.00 0.00 H ATOM 37 HG23 THR A 3 32.867 -17.740 21.762 1.00 0.00 H ATOM 38 HG21 THR A 3 32.142 -17.653 23.386 1.00 0.00 H ATOM 39 HG22 THR A 3 31.109 -17.521 21.941 1.00 0.00 H ATOM 40 H THR A 3 33.029 -16.188 24.874 1.00 0.00 H ATOM 41 N ALA A 4 33.869 -13.333 21.707 1.00 22.74 N ATOM 42 CA ALA A 4 33.920 -11.886 21.477 1.00 22.41 C ATOM 43 C ALA A 4 32.646 -11.257 21.990 1.00 17.86 C ATOM 44 O ALA A 4 32.664 -10.243 22.670 1.00 18.73 O ATOM 45 CB ALA A 4 34.063 -11.597 19.982 1.00 21.50 C ATOM 46 HA ALA A 4 34.778 -11.468 22.003 1.00 0.00 H ATOM 47 HB1 ALA A 4 34.982 -12.052 19.612 1.00 0.00 H ATOM 48 HB2 ALA A 4 33.209 -12.015 19.449 1.00 0.00 H ATOM 49 HB3 ALA A 4 34.100 -10.519 19.823 1.00 0.00 H ATOM 50 H ALA A 4 33.988 -13.967 20.891 1.00 0.00 H ATOM 51 N ALA A 5 31.536 -11.906 21.686 1.00 18.33 N ATOM 52 CA ALA A 5 30.244 -11.408 22.095 1.00 15.58 C ATOM 53 C ALA A 5 30.063 -11.395 23.606 1.00 18.06 C ATOM 54 O ALA A 5 29.454 -10.453 24.124 1.00 17.82 O ATOM 55 CB ALA A 5 29.164 -12.219 21.439 1.00 17.42 C ATOM 56 HA ALA A 5 30.177 -10.369 21.772 1.00 0.00 H ATOM 57 HB1 ALA A 5 29.259 -12.139 20.356 1.00 0.00 H ATOM 58 HB2 ALA A 5 29.263 -13.263 21.738 1.00 0.00 H ATOM 59 HB3 ALA A 5 28.189 -11.842 21.749 1.00 0.00 H ATOM 60 H ALA A 5 31.594 -12.791 21.143 1.00 0.00 H ATOM 61 N ALA A 6 30.551 -12.431 24.314 1.00 15.49 N ATOM 62 CA ALA A 6 30.420 -12.503 25.780 1.00 12.20 C ATOM 63 C ALA A 6 31.333 -11.481 26.452 1.00 13.26 C ATOM 64 O ALA A 6 31.067 -10.953 27.553 1.00 14.39 O ATOM 65 CB ALA A 6 30.770 -13.897 26.267 1.00 14.11 C ATOM 66 HA ALA A 6 29.387 -12.278 26.043 1.00 0.00 H ATOM 67 HB1 ALA A 6 30.094 -14.620 25.811 1.00 0.00 H ATOM 68 HB2 ALA A 6 31.797 -14.131 25.987 1.00 0.00 H ATOM 69 HB3 ALA A 6 30.669 -13.937 27.352 1.00 0.00 H ATOM 70 H ALA A 6 31.034 -13.203 23.812 1.00 0.00 H ATOM 71 N LYS A 7 32.464 -11.242 25.814 1.00 11.06 N ATOM 72 CA LYS A 7 33.401 -10.272 26.335 1.00 16.34 C ATOM 73 C LYS A 7 32.782 -8.873 26.227 1.00 13.78 C ATOM 74 O LYS A 7 32.926 -8.042 27.132 1.00 16.06 O ATOM 75 CB LYS A 7 34.658 -10.333 25.515 1.00 19.47 C ATOM 76 CG LYS A 7 35.789 -9.468 25.979 1.00 27.60 C ATOM 77 CD LYS A 7 36.950 -9.868 25.121 1.00 36.85 C ATOM 78 CE LYS A 7 38.226 -9.160 25.471 1.00 47.95 C ATOM 79 NZ LYS A 7 39.323 -9.825 24.683 1.00 56.98 N ATOM 80 HA LYS A 7 33.631 -10.486 27.379 1.00 0.00 H ATOM 81 HB2 LYS A 7 35.006 -11.366 25.515 1.00 0.00 H ATOM 82 HB3 LYS A 7 34.407 -10.036 24.497 1.00 0.00 H ATOM 83 HG2 LYS A 7 35.551 -8.414 25.837 1.00 0.00 H ATOM 84 HG3 LYS A 7 36.007 -9.651 27.031 1.00 0.00 H ATOM 85 HD2 LYS A 7 37.109 -10.941 25.233 1.00 0.00 H ATOM 86 HD3 LYS A 7 36.705 -9.645 24.083 1.00 0.00 H ATOM 87 HE2 LYS A 7 38.424 -9.249 26.539 1.00 0.00 H ATOM 88 HE3 LYS A 7 38.157 -8.106 25.202 1.00 0.00 H ATOM 89 HZ1 LYS A 7 39.375 -10.831 24.944 1.00 0.00 H ATOM 90 HZ2 LYS A 7 39.119 -9.739 23.667 1.00 0.00 H ATOM 91 HZ3 LYS A 7 40.230 -9.363 24.896 1.00 0.00 H ATOM 92 H LYS A 7 32.681 -11.753 24.935 1.00 0.00 H ATOM 93 N PHE A 8 32.076 -8.621 25.137 1.00 11.52 N ATOM 94 CA PHE A 8 31.439 -7.330 24.981 1.00 13.13 C ATOM 95 C PHE A 8 30.401 -7.083 26.083 1.00 12.73 C ATOM 96 O PHE A 8 30.360 -5.995 26.677 1.00 12.59 O ATOM 97 CB PHE A 8 30.822 -7.172 23.587 1.00 13.30 C ATOM 98 CG PHE A 8 30.086 -5.877 23.404 1.00 14.24 C ATOM 99 CD1 PHE A 8 28.743 -5.766 23.811 1.00 11.17 C ATOM 100 CD2 PHE A 8 30.749 -4.755 22.863 1.00 11.71 C ATOM 101 CE1 PHE A 8 28.062 -4.555 23.690 1.00 13.04 C ATOM 102 CE2 PHE A 8 30.090 -3.535 22.731 1.00 15.21 C ATOM 103 CZ PHE A 8 28.725 -3.433 23.147 1.00 11.77 C ATOM 104 HA PHE A 8 32.214 -6.570 25.082 1.00 0.00 H ATOM 105 HB2 PHE A 8 31.621 -7.223 22.847 1.00 0.00 H ATOM 106 HB3 PHE A 8 30.124 -7.993 23.423 1.00 0.00 H ATOM 107 HD2 PHE A 8 31.788 -4.844 22.545 1.00 0.00 H ATOM 108 HE2 PHE A 8 30.607 -2.670 22.316 1.00 0.00 H ATOM 109 HZ PHE A 8 28.195 -2.486 23.044 1.00 0.00 H ATOM 110 HE1 PHE A 8 27.024 -4.475 24.013 1.00 0.00 H ATOM 111 HD1 PHE A 8 28.231 -6.635 24.225 1.00 0.00 H ATOM 112 H PHE A 8 31.979 -9.345 24.397 1.00 0.00 H ATOM 113 N GLU A 9 29.556 -8.075 26.351 1.00 12.72 N ATOM 114 CA GLU A 9 28.564 -7.970 27.401 1.00 13.29 C ATOM 115 C GLU A 9 29.265 -7.757 28.743 1.00 16.84 C ATOM 116 O GLU A 9 28.866 -6.885 29.522 1.00 12.09 O ATOM 117 CB GLU A 9 27.718 -9.232 27.463 1.00 15.80 C ATOM 118 CG GLU A 9 27.118 -9.593 26.129 1.00 23.74 C ATOM 119 CD GLU A 9 26.133 -10.745 26.204 1.00 32.28 C ATOM 120 OE1 GLU A 9 25.521 -10.923 27.301 1.00 33.20 O ATOM 121 OE2 GLU A 9 25.963 -11.437 25.160 1.00 32.01 O ATOM 122 HA GLU A 9 27.912 -7.123 27.186 1.00 0.00 H ATOM 123 HB2 GLU A 9 28.346 -10.057 27.799 1.00 0.00 H ATOM 124 HB3 GLU A 9 26.911 -9.077 28.179 1.00 0.00 H ATOM 125 HG2 GLU A 9 26.599 -8.719 25.735 1.00 0.00 H ATOM 126 HG3 GLU A 9 27.925 -9.871 25.451 1.00 0.00 H ATOM 127 H GLU A 9 29.609 -8.950 25.791 1.00 0.00 H ATOM 128 N ARG A 10 30.347 -8.501 28.978 1.00 16.32 N ATOM 129 CA ARG A 10 31.072 -8.378 30.240 1.00 17.85 C ATOM 130 C ARG A 10 31.632 -6.990 30.481 1.00 16.36 C ATOM 131 O ARG A 10 31.545 -6.445 31.576 1.00 18.80 O ATOM 132 CB ARG A 10 32.236 -9.379 30.316 1.00 18.23 C ATOM 133 CG ARG A 10 33.077 -9.131 31.578 1.00 20.72 C ATOM 134 CD ARG A 10 34.076 -10.225 31.863 1.00 22.12 C ATOM 135 NE ARG A 10 35.056 -10.373 30.805 1.00 21.58 N ATOM 136 CZ ARG A 10 36.122 -9.612 30.667 1.00 21.08 C ATOM 137 NH1 ARG A 10 36.351 -8.626 31.513 1.00 21.86 N ATOM 138 NH2 ARG A 10 36.993 -9.908 29.732 1.00 24.50 N ATOM 139 HA ARG A 10 30.331 -8.590 31.011 1.00 0.00 H ATOM 140 HB2 ARG A 10 31.837 -10.393 30.344 1.00 0.00 H ATOM 141 HB3 ARG A 10 32.867 -9.263 29.435 1.00 0.00 H ATOM 142 HG2 ARG A 10 33.619 -8.193 31.453 1.00 0.00 H ATOM 143 HG3 ARG A 10 32.403 -9.049 32.431 1.00 0.00 H ATOM 144 HD2 ARG A 10 33.540 -11.167 31.977 1.00 0.00 H ATOM 145 HD3 ARG A 10 34.597 -9.990 32.791 1.00 0.00 H ATOM 146 HE ARG A 10 34.907 -11.131 30.108 1.00 0.00 H ATOM 147 HH12 ARG A 10 37.194 -8.028 31.399 1.00 0.00 H ATOM 148 HH11 ARG A 10 35.688 -8.446 32.294 1.00 0.00 H ATOM 149 HH22 ARG A 10 37.841 -9.320 29.607 1.00 0.00 H ATOM 150 HH21 ARG A 10 36.835 -10.731 29.116 1.00 0.00 H ATOM 151 H ARG A 10 30.677 -9.174 28.257 1.00 0.00 H ATOM 152 N GLN A 11 32.289 -6.467 29.468 1.00 15.16 N ATOM 153 CA GLN A 11 32.920 -5.176 29.560 1.00 15.59 C ATOM 154 C GLN A 11 32.018 -3.942 29.409 1.00 16.50 C ATOM 155 O GLN A 11 32.315 -2.883 29.952 1.00 16.16 O ATOM 156 CB GLN A 11 33.958 -5.100 28.471 1.00 21.16 C ATOM 157 CG GLN A 11 34.992 -6.190 28.468 1.00 20.49 C ATOM 158 CD GLN A 11 36.079 -5.756 27.553 1.00 25.82 C ATOM 159 OE1 GLN A 11 37.145 -5.380 28.009 1.00 29.35 O ATOM 160 NE2 GLN A 11 35.769 -5.645 26.258 1.00 23.70 N ATOM 161 HA GLN A 11 33.307 -5.127 30.578 1.00 0.00 H ATOM 162 HB2 GLN A 11 33.439 -5.130 27.513 1.00 0.00 H ATOM 163 HB3 GLN A 11 34.478 -4.147 28.572 1.00 0.00 H ATOM 164 HG2 GLN A 11 35.385 -6.336 29.474 1.00 0.00 H ATOM 165 HG3 GLN A 11 34.553 -7.122 28.112 1.00 0.00 H ATOM 166 HE22 GLN A 11 34.847 -5.980 25.914 1.00 0.00 H ATOM 167 HE21 GLN A 11 36.450 -5.224 25.595 1.00 0.00 H ATOM 168 H GLN A 11 32.354 -7.000 28.577 1.00 0.00 H ATOM 169 N HIS A 12 30.924 -4.072 28.669 1.00 11.27 N ATOM 170 CA HIS A 12 30.109 -2.893 28.402 1.00 12.51 C ATOM 171 C HIS A 12 28.632 -2.892 28.760 1.00 14.28 C ATOM 172 O HIS A 12 27.991 -1.863 28.616 1.00 19.10 O ATOM 173 CB HIS A 12 30.227 -2.503 26.912 1.00 9.39 C ATOM 174 CG HIS A 12 31.636 -2.337 26.427 1.00 10.01 C ATOM 175 ND1 HIS A 12 32.421 -1.265 26.780 1.00 11.15 N ATOM 176 CD2 HIS A 12 32.389 -3.097 25.609 1.00 10.63 C ATOM 177 CE1 HIS A 12 33.596 -1.368 26.198 1.00 11.20 C ATOM 178 NE2 HIS A 12 33.601 -2.475 25.483 1.00 10.85 N ATOM 179 HA HIS A 12 30.541 -2.179 29.103 1.00 0.00 H ATOM 180 HB2 HIS A 12 29.750 -3.281 26.316 1.00 0.00 H ATOM 181 HB3 HIS A 12 29.701 -1.560 26.763 1.00 0.00 H ATOM 182 HD2 HIS A 12 32.089 -4.032 25.136 1.00 0.00 H ATOM 183 HE1 HIS A 12 34.421 -0.662 26.291 1.00 0.00 H ATOM 184 H HIS A 12 30.652 -5.000 28.286 1.00 0.00 H ATOM 185 N MET A 13 28.066 -4.016 29.159 1.00 13.06 N ATOM 186 CA MET A 13 26.646 -4.010 29.460 1.00 13.62 C ATOM 187 C MET A 13 26.355 -3.883 30.946 1.00 11.76 C ATOM 188 O MET A 13 26.994 -4.517 31.755 1.00 17.72 O ATOM 189 CB MET A 13 25.957 -5.278 28.916 1.00 15.23 C ATOM 190 CG MET A 13 25.831 -5.385 27.404 1.00 17.92 C ATOM 191 SD MET A 13 24.941 -4.014 26.603 1.00 18.43 S ATOM 192 CE MET A 13 23.463 -3.945 27.489 1.00 17.81 C ATOM 193 HA MET A 13 26.242 -3.128 28.964 1.00 0.00 H ATOM 194 HB2 MET A 13 26.527 -6.140 29.263 1.00 0.00 H ATOM 195 HB3 MET A 13 24.952 -5.315 29.336 1.00 0.00 H ATOM 196 HG2 MET A 13 25.303 -6.311 27.174 1.00 0.00 H ATOM 197 HG3 MET A 13 26.836 -5.427 26.983 1.00 0.00 H ATOM 198 HE1 MET A 13 22.940 -4.897 27.396 1.00 0.00 H ATOM 199 HE2 MET A 13 23.679 -3.749 28.539 1.00 0.00 H ATOM 200 HE3 MET A 13 22.839 -3.146 27.090 1.00 0.00 H ATOM 201 H MET A 13 28.626 -4.887 29.256 1.00 0.00 H ATOM 202 N ASP A 14 25.484 -2.954 31.287 1.00 12.04 N ATOM 203 CA ASP A 14 25.017 -2.801 32.648 1.00 16.01 C ATOM 204 C ASP A 14 23.541 -2.366 32.638 1.00 16.99 C ATOM 205 O ASP A 14 23.198 -1.209 32.911 1.00 18.64 O ATOM 206 CB ASP A 14 25.862 -1.869 33.504 1.00 17.48 C ATOM 207 CG ASP A 14 25.313 -1.779 34.946 1.00 22.74 C ATOM 208 OD1 ASP A 14 24.620 -2.731 35.338 1.00 28.81 O ATOM 209 OD2 ASP A 14 25.521 -0.779 35.675 1.00 23.22 O ATOM 210 HA ASP A 14 25.117 -3.777 33.123 1.00 0.00 H ATOM 211 HB2 ASP A 14 26.885 -2.245 33.536 1.00 0.00 H ATOM 212 HB3 ASP A 14 25.856 -0.874 33.059 1.00 0.00 H ATOM 213 H ASP A 14 25.121 -2.311 30.555 1.00 0.00 H ATOM 214 N SER A 15 22.663 -3.319 32.365 1.00 18.79 N ATOM 215 CA SER A 15 21.237 -3.050 32.329 1.00 21.96 C ATOM 216 C SER A 15 20.564 -2.962 33.709 1.00 25.84 C ATOM 217 O SER A 15 19.404 -2.596 33.785 1.00 29.76 O ATOM 218 CB SER A 15 20.529 -4.137 31.506 1.00 27.69 C ATOM 219 OG SER A 15 21.204 -4.423 30.276 1.00 26.23 O ATOM 220 HA SER A 15 21.138 -2.065 31.873 1.00 0.00 H ATOM 221 HB2 SER A 15 19.517 -3.800 31.279 1.00 0.00 H ATOM 222 HB3 SER A 15 20.482 -5.050 32.100 1.00 0.00 H ATOM 223 HG SER A 15 21.245 -3.602 29.725 1.00 0.00 H ATOM 224 H SER A 15 23.003 -4.283 32.172 1.00 0.00 H ATOM 225 N SER A 16 21.255 -3.324 34.788 1.00 27.33 N ATOM 226 CA SER A 16 20.644 -3.264 36.133 1.00 30.96 C ATOM 227 C SER A 16 20.448 -1.840 36.665 1.00 35.87 C ATOM 228 O SER A 16 19.776 -1.633 37.675 1.00 40.62 O ATOM 229 CB SER A 16 21.449 -4.096 37.141 1.00 27.54 C ATOM 230 OG SER A 16 21.951 -5.286 36.523 1.00 34.73 O ATOM 231 HA SER A 16 19.648 -3.690 36.017 1.00 0.00 H ATOM 232 HB2 SER A 16 20.804 -4.370 37.976 1.00 0.00 H ATOM 233 HB3 SER A 16 22.286 -3.502 37.509 1.00 0.00 H ATOM 234 HG SER A 16 22.467 -5.809 37.187 1.00 0.00 H ATOM 235 H SER A 16 22.236 -3.653 34.683 1.00 0.00 H ATOM 236 N THR A 17 21.095 -0.863 36.039 1.00 40.83 N ATOM 237 CA THR A 17 20.948 0.534 36.443 1.00 44.48 C ATOM 238 C THR A 17 20.742 1.344 35.179 1.00 43.41 C ATOM 239 O THR A 17 21.300 1.034 34.128 1.00 40.65 O ATOM 240 CB THR A 17 22.181 1.071 37.212 1.00 47.97 C ATOM 241 OG1 THR A 17 23.332 1.089 36.354 1.00 44.58 O ATOM 242 CG2 THR A 17 22.465 0.184 38.428 1.00 51.25 C ATOM 243 HA THR A 17 20.102 0.617 37.126 1.00 0.00 H ATOM 244 HB THR A 17 21.968 2.087 37.546 1.00 0.00 H ATOM 245 HG1 THR A 17 23.521 0.170 36.039 1.00 0.00 H ATOM 246 HG23 THR A 17 21.591 0.171 39.079 1.00 0.00 H ATOM 247 HG21 THR A 17 22.685 -0.830 38.093 1.00 0.00 H ATOM 248 HG22 THR A 17 23.320 0.582 38.974 1.00 0.00 H ATOM 249 H THR A 17 21.721 -1.098 35.242 1.00 0.00 H ATOM 250 N SER A 18 19.920 2.373 35.277 1.00 43.77 N ATOM 251 CA SER A 18 19.646 3.192 34.119 1.00 44.77 C ATOM 252 C SER A 18 20.576 4.387 34.016 1.00 42.93 C ATOM 253 O SER A 18 20.638 5.019 32.967 1.00 34.91 O ATOM 254 CB SER A 18 18.186 3.631 34.126 1.00 48.09 C ATOM 255 OG SER A 18 17.839 4.197 35.380 1.00 52.96 O ATOM 256 HA SER A 18 19.832 2.583 33.234 1.00 0.00 H ATOM 257 HB2 SER A 18 17.551 2.766 33.935 1.00 0.00 H ATOM 258 HB3 SER A 18 18.031 4.373 33.343 1.00 0.00 H ATOM 259 HG SER A 18 16.889 4.475 35.364 1.00 0.00 H ATOM 260 H SER A 18 19.470 2.594 36.188 1.00 0.00 H ATOM 261 N ALA A 19 21.284 4.700 35.102 1.00 43.32 N ATOM 262 CA ALA A 19 22.230 5.818 35.110 1.00 47.73 C ATOM 263 C ALA A 19 23.426 5.499 36.008 1.00 52.20 C ATOM 264 O ALA A 19 23.405 4.518 36.753 1.00 56.12 O ATOM 265 CB ALA A 19 21.543 7.110 35.572 1.00 44.21 C ATOM 266 HA ALA A 19 22.589 5.968 34.092 1.00 0.00 H ATOM 267 HB1 ALA A 19 20.724 7.347 34.893 1.00 0.00 H ATOM 268 HB2 ALA A 19 21.153 6.972 36.580 1.00 0.00 H ATOM 269 HB3 ALA A 19 22.266 7.926 35.569 1.00 0.00 H ATOM 270 H ALA A 19 21.161 4.135 35.966 1.00 0.00 H ATOM 271 N ALA A 20 24.500 6.273 35.853 1.00 59.15 N ATOM 272 CA ALA A 20 25.716 6.111 36.651 1.00 63.50 C ATOM 273 C ALA A 20 25.299 6.566 38.023 1.00 68.44 C ATOM 274 O ALA A 20 25.258 7.772 38.321 1.00 69.16 O ATOM 275 CB ALA A 20 26.826 6.993 36.127 1.00 65.42 C ATOM 276 HA ALA A 20 26.099 5.091 36.631 1.00 0.00 H ATOM 277 HB1 ALA A 20 27.045 6.724 35.094 1.00 0.00 H ATOM 278 HB2 ALA A 20 26.512 8.036 36.173 1.00 0.00 H ATOM 279 HB3 ALA A 20 27.718 6.853 36.738 1.00 0.00 H ATOM 280 H ALA A 20 24.473 7.024 35.134 1.00 0.00 H ATOM 281 N SER A 21 24.891 5.574 38.802 1.00 75.36 N ATOM 282 CA SER A 21 24.392 5.727 40.170 1.00 80.17 C ATOM 283 C SER A 21 25.093 6.756 41.100 1.00 78.44 C ATOM 284 O SER A 21 24.445 7.719 41.609 1.00 77.64 O ATOM 285 CB SER A 21 24.301 4.320 40.834 1.00 82.26 C ATOM 286 OG SER A 21 25.325 3.419 40.386 1.00 81.87 O ATOM 287 HA SER A 21 23.412 6.188 40.049 1.00 0.00 H ATOM 288 HB2 SER A 21 23.329 3.887 40.597 1.00 0.00 H ATOM 289 HB3 SER A 21 24.391 4.439 41.914 1.00 0.00 H ATOM 290 HG SER A 21 25.216 2.546 40.840 1.00 0.00 H ATOM 291 H SER A 21 24.928 4.611 38.411 1.00 0.00 H ATOM 292 N SER A 22 26.402 6.546 41.293 1.00 70.60 N ATOM 293 CA SER A 22 27.218 7.384 42.163 1.00 62.75 C ATOM 294 C SER A 22 28.589 7.701 41.584 1.00 57.83 C ATOM 295 O SER A 22 28.938 7.276 40.473 1.00 56.66 O ATOM 296 CB SER A 22 27.384 6.709 43.554 1.00 61.98 C ATOM 297 OG SER A 22 28.045 5.435 43.521 1.00 57.23 O ATOM 298 HA SER A 22 26.688 8.331 42.261 1.00 0.00 H ATOM 299 HB2 SER A 22 26.393 6.568 43.985 1.00 0.00 H ATOM 300 HB3 SER A 22 27.964 7.378 44.190 1.00 0.00 H ATOM 301 HG SER A 22 28.110 5.075 44.441 1.00 0.00 H ATOM 302 H SER A 22 26.856 5.750 40.801 1.00 0.00 H ATOM 303 N SER A 23 29.356 8.459 42.363 1.00 50.67 N ATOM 304 CA SER A 23 30.723 8.825 42.032 1.00 40.68 C ATOM 305 C SER A 23 31.584 7.532 42.098 1.00 36.46 C ATOM 306 O SER A 23 32.622 7.455 41.468 1.00 39.13 O ATOM 307 CB SER A 23 31.216 9.865 43.054 1.00 37.63 C ATOM 308 OG SER A 23 30.753 9.526 44.367 1.00 27.82 O ATOM 309 HA SER A 23 30.794 9.260 41.035 1.00 0.00 H ATOM 310 HB2 SER A 23 30.834 10.849 42.780 1.00 0.00 H ATOM 311 HB3 SER A 23 32.306 9.886 43.050 1.00 0.00 H ATOM 312 HG SER A 23 31.076 10.202 45.014 1.00 0.00 H ATOM 313 H SER A 23 28.956 8.809 43.257 1.00 0.00 H ATOM 314 N ASN A 24 31.132 6.549 42.875 1.00 35.59 N ATOM 315 CA ASN A 24 31.790 5.252 43.067 1.00 37.41 C ATOM 316 C ASN A 24 31.635 4.310 41.897 1.00 31.18 C ATOM 317 O ASN A 24 32.335 3.306 41.822 1.00 28.61 O ATOM 318 CB ASN A 24 31.093 4.486 44.182 1.00 49.30 C ATOM 319 CG ASN A 24 31.543 4.882 45.529 1.00 59.84 C ATOM 320 OD1 ASN A 24 32.732 5.141 45.735 1.00 68.29 O ATOM 321 ND2 ASN A 24 30.612 4.884 46.495 1.00 62.46 N ATOM 322 HA ASN A 24 32.835 5.504 43.246 1.00 0.00 H ATOM 323 HB2 ASN A 24 30.020 4.666 44.108 1.00 0.00 H ATOM 324 HB3 ASN A 24 31.292 3.423 44.049 1.00 0.00 H ATOM 325 HD22 ASN A 24 29.623 4.658 46.265 1.00 0.00 H ATOM 326 HD21 ASN A 24 30.879 5.112 47.474 1.00 0.00 H ATOM 327 H ASN A 24 30.242 6.714 43.386 1.00 0.00 H ATOM 328 N TYR A 25 30.603 4.538 41.102 1.00 23.64 N ATOM 329 CA TYR A 25 30.295 3.651 40.020 1.00 19.96 C ATOM 330 C TYR A 25 31.462 3.059 39.223 1.00 16.71 C ATOM 331 O TYR A 25 31.606 1.846 39.194 1.00 21.67 O ATOM 332 CB TYR A 25 29.261 4.272 39.091 1.00 21.17 C ATOM 333 CG TYR A 25 28.783 3.306 38.017 1.00 21.52 C ATOM 334 CD1 TYR A 25 27.747 2.392 38.257 1.00 21.14 C ATOM 335 CD2 TYR A 25 29.376 3.305 36.762 1.00 23.48 C ATOM 336 CE1 TYR A 25 27.328 1.514 37.261 1.00 19.70 C ATOM 337 CE2 TYR A 25 28.964 2.434 35.768 1.00 20.21 C ATOM 338 CZ TYR A 25 27.952 1.551 36.013 1.00 19.29 C ATOM 339 OH TYR A 25 27.590 0.713 34.984 1.00 18.75 O ATOM 340 HA TYR A 25 29.890 2.778 40.531 1.00 0.00 H ATOM 341 HB3 TYR A 25 29.705 5.142 38.606 1.00 0.00 H ATOM 342 HB2 TYR A 25 28.403 4.587 39.684 1.00 0.00 H ATOM 343 HD2 TYR A 25 30.184 4.006 36.554 1.00 0.00 H ATOM 344 HE2 TYR A 25 29.447 2.453 34.791 1.00 0.00 H ATOM 345 HE1 TYR A 25 26.522 0.806 37.454 1.00 0.00 H ATOM 346 HD1 TYR A 25 27.264 2.369 39.234 1.00 0.00 H ATOM 347 HH TYR A 25 26.852 0.125 35.283 1.00 0.00 H ATOM 348 H TYR A 25 30.006 5.374 41.265 1.00 0.00 H ATOM 349 N CYS A 26 32.283 3.880 38.578 1.00 20.55 N ATOM 350 CA CYS A 26 33.391 3.354 37.769 1.00 19.10 C ATOM 351 C CYS A 26 34.436 2.561 38.541 1.00 21.83 C ATOM 352 O CYS A 26 34.896 1.512 38.087 1.00 16.96 O ATOM 353 CB CYS A 26 34.032 4.462 36.960 1.00 19.16 C ATOM 354 SG CYS A 26 32.930 5.004 35.613 1.00 19.07 S ATOM 355 HA CYS A 26 32.935 2.626 37.098 1.00 0.00 H ATOM 356 HB2 CYS A 26 34.966 4.098 36.533 1.00 0.00 H ATOM 357 HB3 CYS A 26 34.239 5.309 37.615 1.00 0.00 H ATOM 358 HG CYS A 26 32.875 6.275 35.077 1.00 0.00 H ATOM 359 H CYS A 26 32.140 4.908 38.646 1.00 0.00 H ATOM 360 N ASN A 27 34.769 3.030 39.736 1.00 24.72 N ATOM 361 CA ASN A 27 35.724 2.325 40.580 1.00 25.73 C ATOM 362 C ASN A 27 35.216 0.931 40.914 1.00 23.76 C ATOM 363 O ASN A 27 35.978 -0.040 40.881 1.00 22.13 O ATOM 364 CB ASN A 27 35.972 3.087 41.882 1.00 25.24 C ATOM 365 CG ASN A 27 36.763 4.355 41.682 1.00 27.87 C ATOM 366 OD1 ASN A 27 37.485 4.513 40.706 1.00 27.81 O ATOM 367 ND2 ASN A 27 36.643 5.269 42.630 1.00 34.47 N ATOM 368 HA ASN A 27 36.659 2.251 40.024 1.00 0.00 H ATOM 369 HB2 ASN A 27 35.009 3.344 42.323 1.00 0.00 H ATOM 370 HB3 ASN A 27 36.521 2.439 42.565 1.00 0.00 H ATOM 371 HD22 ASN A 27 36.019 5.096 43.443 1.00 0.00 H ATOM 372 HD21 ASN A 27 37.173 6.161 42.562 1.00 0.00 H ATOM 373 H ASN A 27 34.342 3.915 40.076 1.00 0.00 H ATOM 374 N GLN A 28 33.929 0.837 41.258 1.00 25.40 N ATOM 375 CA GLN A 28 33.299 -0.452 41.609 1.00 29.41 C ATOM 376 C GLN A 28 33.148 -1.413 40.392 1.00 23.25 C ATOM 377 O GLN A 28 33.513 -2.599 40.462 1.00 17.65 O ATOM 378 CB GLN A 28 31.919 -0.223 42.271 1.00 35.45 C ATOM 379 CG GLN A 28 31.894 0.751 43.481 1.00 48.19 C ATOM 380 CD GLN A 28 30.450 1.150 43.944 1.00 55.04 C ATOM 381 OE1 GLN A 28 29.624 1.635 43.149 1.00 60.32 O ATOM 382 NE2 GLN A 28 30.178 0.992 45.242 1.00 54.18 N ATOM 383 HA GLN A 28 33.972 -0.936 42.317 1.00 0.00 H ATOM 384 HB2 GLN A 28 31.246 0.173 41.510 1.00 0.00 H ATOM 385 HB3 GLN A 28 31.549 -1.189 42.614 1.00 0.00 H ATOM 386 HG2 GLN A 28 32.403 0.273 44.318 1.00 0.00 H ATOM 387 HG3 GLN A 28 32.429 1.659 43.202 1.00 0.00 H ATOM 388 HE22 GLN A 28 30.893 0.583 45.877 1.00 0.00 H ATOM 389 HE21 GLN A 28 29.251 1.278 45.618 1.00 0.00 H ATOM 390 H GLN A 28 33.351 1.701 41.279 1.00 0.00 H ATOM 391 N MET A 29 32.631 -0.877 39.284 1.00 21.10 N ATOM 392 CA MET A 29 32.398 -1.648 38.059 1.00 21.51 C ATOM 393 C MET A 29 33.603 -2.097 37.270 1.00 17.57 C ATOM 394 O MET A 29 33.604 -3.189 36.742 1.00 19.90 O ATOM 395 CB MET A 29 31.427 -0.902 37.154 1.00 21.86 C ATOM 396 CG MET A 29 30.044 -0.852 37.759 1.00 28.70 C ATOM 397 SD MET A 29 29.190 -2.435 37.719 1.00 27.72 S ATOM 398 CE MET A 29 28.850 -2.502 36.020 1.00 23.55 C ATOM 399 HA MET A 29 31.980 -2.585 38.427 1.00 0.00 H ATOM 400 HB2 MET A 29 31.788 0.116 37.007 1.00 0.00 H ATOM 401 HB3 MET A 29 31.376 -1.410 36.191 1.00 0.00 H ATOM 402 HG2 MET A 29 29.450 -0.125 37.205 1.00 0.00 H ATOM 403 HG3 MET A 29 30.132 -0.533 38.797 1.00 0.00 H ATOM 404 HE1 MET A 29 28.235 -1.647 35.740 1.00 0.00 H ATOM 405 HE2 MET A 29 29.786 -2.476 35.462 1.00 0.00 H ATOM 406 HE3 MET A 29 28.316 -3.425 35.794 1.00 0.00 H ATOM 407 H MET A 29 32.382 0.133 39.290 1.00 0.00 H ATOM 408 N MET A 30 34.589 -1.224 37.116 1.00 18.40 N ATOM 409 CA MET A 30 35.819 -1.577 36.415 1.00 19.73 C ATOM 410 C MET A 30 36.453 -2.748 37.147 1.00 17.97 C ATOM 411 O MET A 30 36.911 -3.690 36.529 1.00 18.12 O ATOM 412 CB MET A 30 36.800 -0.390 36.387 1.00 16.31 C ATOM 413 CG MET A 30 36.315 0.788 35.519 1.00 18.54 C ATOM 414 SD MET A 30 35.994 0.298 33.788 1.00 17.18 S ATOM 415 CE MET A 30 37.726 0.183 33.157 1.00 18.73 C ATOM 416 HA MET A 30 35.588 -1.842 35.383 1.00 0.00 H ATOM 417 HB2 MET A 30 36.939 -0.033 37.407 1.00 0.00 H ATOM 418 HB3 MET A 30 37.754 -0.740 35.993 1.00 0.00 H ATOM 419 HG2 MET A 30 37.079 1.565 35.526 1.00 0.00 H ATOM 420 HG3 MET A 30 35.393 1.182 35.948 1.00 0.00 H ATOM 421 HE1 MET A 30 38.214 1.152 33.259 1.00 0.00 H ATOM 422 HE2 MET A 30 38.273 -0.563 33.734 1.00 0.00 H ATOM 423 HE3 MET A 30 37.710 -0.108 32.107 1.00 0.00 H ATOM 424 H MET A 30 34.483 -0.265 37.504 1.00 0.00 H ATOM 425 N LYS A 31 36.495 -2.679 38.470 1.00 18.99 N ATOM 426 CA LYS A 31 37.064 -3.779 39.242 1.00 27.93 C ATOM 427 C LYS A 31 36.259 -5.072 39.105 1.00 25.98 C ATOM 428 O LYS A 31 36.800 -6.115 38.757 1.00 29.29 O ATOM 429 CB LYS A 31 37.156 -3.413 40.723 1.00 32.23 C ATOM 430 CG LYS A 31 37.913 -4.457 41.572 1.00 41.03 C ATOM 431 CD LYS A 31 38.181 -3.920 42.984 1.00 48.65 C ATOM 432 CE LYS A 31 39.062 -4.848 43.817 1.00 54.50 C ATOM 433 NZ LYS A 31 39.155 -4.447 45.277 1.00 58.19 N ATOM 434 HA LYS A 31 38.060 -3.951 38.834 1.00 0.00 H ATOM 435 HB2 LYS A 31 37.673 -2.457 40.811 1.00 0.00 H ATOM 436 HB3 LYS A 31 36.145 -3.315 41.118 1.00 0.00 H ATOM 437 HG2 LYS A 31 37.313 -5.364 41.642 1.00 0.00 H ATOM 438 HG3 LYS A 31 38.863 -4.688 41.091 1.00 0.00 H ATOM 439 HD2 LYS A 31 38.676 -2.953 42.900 1.00 0.00 H ATOM 440 HD3 LYS A 31 37.227 -3.795 43.495 1.00 0.00 H ATOM 441 HE2 LYS A 31 40.066 -4.843 43.393 1.00 0.00 H ATOM 442 HE3 LYS A 31 38.651 -5.856 43.762 1.00 0.00 H ATOM 443 HZ1 LYS A 31 39.556 -3.490 45.348 1.00 0.00 H ATOM 444 HZ2 LYS A 31 38.205 -4.458 45.699 1.00 0.00 H ATOM 445 HZ3 LYS A 31 39.767 -5.119 45.782 1.00 0.00 H ATOM 446 H LYS A 31 36.122 -1.840 38.958 1.00 0.00 H ATOM 447 N SER A 32 34.961 -4.955 39.375 1.00 27.46 N ATOM 448 CA SER A 32 33.959 -6.010 39.343 1.00 23.98 C ATOM 449 C SER A 32 33.941 -6.796 38.013 1.00 23.18 C ATOM 450 O SER A 32 33.852 -8.039 37.981 1.00 22.61 O ATOM 451 CB SER A 32 32.622 -5.305 39.556 1.00 28.43 C ATOM 452 OG SER A 32 31.651 -6.104 40.185 1.00 43.90 O ATOM 453 HA SER A 32 34.177 -6.753 40.110 1.00 0.00 H ATOM 454 HB2 SER A 32 32.237 -4.998 38.584 1.00 0.00 H ATOM 455 HB3 SER A 32 32.793 -4.423 40.173 1.00 0.00 H ATOM 456 HG SER A 32 30.815 -5.584 40.290 1.00 0.00 H ATOM 457 H SER A 32 34.626 -4.006 39.638 1.00 0.00 H ATOM 458 N ARG A 33 34.026 -6.065 36.910 1.00 19.33 N ATOM 459 CA ARG A 33 33.997 -6.676 35.582 1.00 18.86 C ATOM 460 C ARG A 33 35.366 -7.179 35.122 1.00 22.32 C ATOM 461 O ARG A 33 35.524 -7.587 33.969 1.00 20.06 O ATOM 462 CB ARG A 33 33.381 -5.714 34.545 1.00 13.19 C ATOM 463 CG ARG A 33 31.927 -5.362 34.832 1.00 14.12 C ATOM 464 CD ARG A 33 31.015 -6.613 34.822 1.00 14.97 C ATOM 465 NE ARG A 33 29.604 -6.254 35.002 1.00 17.09 N ATOM 466 CZ ARG A 33 28.798 -5.849 34.017 1.00 18.49 C ATOM 467 NH1 ARG A 33 29.252 -5.763 32.767 1.00 17.09 N ATOM 468 NH2 ARG A 33 27.558 -5.451 34.288 1.00 16.17 N ATOM 469 HA ARG A 33 33.360 -7.557 35.662 1.00 0.00 H ATOM 470 HB2 ARG A 33 33.964 -4.793 34.539 1.00 0.00 H ATOM 471 HB3 ARG A 33 33.435 -6.184 33.563 1.00 0.00 H ATOM 472 HG2 ARG A 33 31.866 -4.889 35.812 1.00 0.00 H ATOM 473 HG3 ARG A 33 31.577 -4.665 34.071 1.00 0.00 H ATOM 474 HD2 ARG A 33 31.317 -7.278 35.631 1.00 0.00 H ATOM 475 HD3 ARG A 33 31.130 -7.128 33.868 1.00 0.00 H ATOM 476 HE ARG A 33 29.205 -6.319 35.960 1.00 0.00 H ATOM 477 HH12 ARG A 33 28.619 -5.447 32.005 1.00 0.00 H ATOM 478 HH11 ARG A 33 30.239 -6.012 32.554 1.00 0.00 H ATOM 479 HH22 ARG A 33 26.933 -5.136 33.519 1.00 0.00 H ATOM 480 HH21 ARG A 33 27.213 -5.455 35.269 1.00 0.00 H ATOM 481 H ARG A 33 34.115 -5.032 36.991 1.00 0.00 H ATOM 482 N ASN A 34 36.339 -7.131 36.033 1.00 21.35 N ATOM 483 CA ASN A 34 37.707 -7.579 35.795 1.00 24.04 C ATOM 484 C ASN A 34 38.429 -6.796 34.751 1.00 24.69 C ATOM 485 O ASN A 34 39.279 -7.342 34.030 1.00 27.38 O ATOM 486 CB ASN A 34 37.758 -9.055 35.457 1.00 35.67 C ATOM 487 CG ASN A 34 37.840 -9.924 36.700 1.00 49.00 C ATOM 488 OD1 ASN A 34 38.790 -9.814 37.494 1.00 52.67 O ATOM 489 ND2 ASN A 34 36.833 -10.785 36.894 1.00 55.54 N ATOM 490 HA ASN A 34 38.227 -7.403 36.737 1.00 0.00 H ATOM 491 HB2 ASN A 34 36.858 -9.320 34.902 1.00 0.00 H ATOM 492 HB3 ASN A 34 38.635 -9.244 34.837 1.00 0.00 H ATOM 493 HD22 ASN A 34 36.058 -10.843 36.203 1.00 0.00 H ATOM 494 HD21 ASN A 34 36.826 -11.395 37.736 1.00 0.00 H ATOM 495 H ASN A 34 36.108 -6.750 36.973 1.00 0.00 H ATOM 496 N LEU A 35 38.152 -5.497 34.711 1.00 19.53 N ATOM 497 CA LEU A 35 38.782 -4.635 33.730 1.00 21.60 C ATOM 498 C LEU A 35 40.040 -3.947 34.284 1.00 23.45 C ATOM 499 O LEU A 35 40.681 -3.164 33.595 1.00 26.13 O ATOM 500 CB LEU A 35 37.767 -3.620 33.173 1.00 18.84 C ATOM 501 CG LEU A 35 36.495 -4.178 32.518 1.00 17.32 C ATOM 502 CD1 LEU A 35 35.603 -3.062 32.063 1.00 17.56 C ATOM 503 CD2 LEU A 35 36.866 -5.014 31.326 1.00 22.32 C ATOM 504 HA LEU A 35 39.119 -5.262 32.904 1.00 0.00 H ATOM 505 HB2 LEU A 35 37.456 -2.981 34.000 1.00 0.00 H ATOM 506 HB3 LEU A 35 38.283 -3.018 32.425 1.00 0.00 H ATOM 507 HG LEU A 35 35.967 -4.784 33.255 1.00 0.00 H ATOM 508 HD21 LEU A 35 37.405 -4.398 30.606 1.00 0.00 H ATOM 509 HD22 LEU A 35 37.501 -5.840 31.647 1.00 0.00 H ATOM 510 HD23 LEU A 35 35.961 -5.408 30.864 1.00 0.00 H ATOM 511 HD11 LEU A 35 35.321 -2.451 32.921 1.00 0.00 H ATOM 512 HD12 LEU A 35 36.134 -2.447 31.337 1.00 0.00 H ATOM 513 HD13 LEU A 35 34.708 -3.479 31.602 1.00 0.00 H ATOM 514 H LEU A 35 37.476 -5.094 35.391 1.00 0.00 H ATOM 515 N THR A 36 40.384 -4.251 35.528 1.00 27.24 N ATOM 516 CA THR A 36 41.576 -3.692 36.153 1.00 31.48 C ATOM 517 C THR A 36 42.501 -4.828 36.660 1.00 38.53 C ATOM 518 O THR A 36 43.270 -4.638 37.621 1.00 36.98 O ATOM 519 CB THR A 36 41.203 -2.821 37.338 1.00 29.22 C ATOM 520 OG1 THR A 36 40.595 -3.634 38.352 1.00 28.45 O ATOM 521 CG2 THR A 36 40.239 -1.737 36.908 1.00 25.95 C ATOM 522 HA THR A 36 42.092 -3.093 35.403 1.00 0.00 H ATOM 523 HB THR A 36 42.104 -2.352 37.734 1.00 0.00 H ATOM 524 HG1 THR A 36 39.781 -4.062 37.986 1.00 0.00 H ATOM 525 HG23 THR A 36 40.705 -1.122 36.138 1.00 0.00 H ATOM 526 HG21 THR A 36 39.333 -2.195 36.510 1.00 0.00 H ATOM 527 HG22 THR A 36 39.986 -1.116 37.767 1.00 0.00 H ATOM 528 H THR A 36 39.787 -4.906 36.072 1.00 0.00 H ATOM 529 N LYS A 37 42.416 -6.002 36.028 1.00 41.68 N ATOM 530 CA LYS A 37 43.220 -7.148 36.443 1.00 47.91 C ATOM 531 C LYS A 37 44.643 -7.212 35.915 1.00 46.61 C ATOM 532 O LYS A 37 45.552 -7.645 36.617 1.00 49.12 O ATOM 533 CB LYS A 37 42.519 -8.463 36.107 1.00 54.79 C ATOM 534 CG LYS A 37 43.244 -9.662 36.716 1.00 59.56 C ATOM 535 CD LYS A 37 42.423 -10.921 36.649 1.00 63.60 C ATOM 536 CE LYS A 37 43.160 -12.076 37.296 1.00 65.80 C ATOM 537 NZ LYS A 37 42.507 -13.367 36.936 1.00 69.60 N ATOM 538 HA LYS A 37 43.312 -6.999 37.519 1.00 0.00 H ATOM 539 HB2 LYS A 37 41.501 -8.430 36.496 1.00 0.00 H ATOM 540 HB3 LYS A 37 42.489 -8.581 35.024 1.00 0.00 H ATOM 541 HG2 LYS A 37 44.176 -9.821 36.173 1.00 0.00 H ATOM 542 HG3 LYS A 37 43.467 -9.444 37.760 1.00 0.00 H ATOM 543 HD2 LYS A 37 41.479 -10.761 37.170 1.00 0.00 H ATOM 544 HD3 LYS A 37 42.223 -11.163 35.605 1.00 0.00 H ATOM 545 HE2 LYS A 37 43.144 -11.953 38.379 1.00 0.00 H ATOM 546 HE3 LYS A 37 44.193 -12.085 36.948 1.00 0.00 H ATOM 547 HZ1 LYS A 37 41.522 -13.361 37.269 1.00 0.00 H ATOM 548 HZ2 LYS A 37 42.524 -13.486 35.903 1.00 0.00 H ATOM 549 HZ3 LYS A 37 43.021 -14.151 37.385 1.00 0.00 H ATOM 550 H LYS A 37 41.764 -6.102 35.224 1.00 0.00 H ATOM 551 N ASP A 38 44.825 -6.855 34.656 1.00 43.63 N ATOM 552 CA ASP A 38 46.145 -6.905 34.070 1.00 44.37 C ATOM 553 C ASP A 38 46.778 -5.532 34.036 1.00 41.12 C ATOM 554 O ASP A 38 47.995 -5.387 33.937 1.00 42.20 O ATOM 555 CB ASP A 38 46.041 -7.465 32.648 1.00 50.29 C ATOM 556 CG ASP A 38 45.739 -8.969 32.622 1.00 57.83 C ATOM 557 OD1 ASP A 38 45.587 -9.585 33.718 1.00 61.74 O ATOM 558 OD2 ASP A 38 45.665 -9.538 31.496 1.00 60.13 O ATOM 559 HA ASP A 38 46.775 -7.551 34.681 1.00 0.00 H ATOM 560 HB2 ASP A 38 45.242 -6.940 32.124 1.00 0.00 H ATOM 561 HB3 ASP A 38 46.987 -7.290 32.135 1.00 0.00 H ATOM 562 H ASP A 38 44.016 -6.537 34.085 1.00 0.00 H ATOM 563 N ARG A 39 45.927 -4.526 34.122 1.00 34.35 N ATOM 564 CA ARG A 39 46.337 -3.138 34.051 1.00 33.84 C ATOM 565 C ARG A 39 45.042 -2.362 34.276 1.00 28.83 C ATOM 566 O ARG A 39 43.969 -2.959 34.366 1.00 25.75 O ATOM 567 CB ARG A 39 46.845 -2.843 32.632 1.00 36.39 C ATOM 568 CG ARG A 39 45.810 -3.203 31.558 1.00 43.86 C ATOM 569 CD ARG A 39 46.398 -3.279 30.159 1.00 51.87 C ATOM 570 NE ARG A 39 46.733 -1.951 29.670 1.00 57.34 N ATOM 571 CZ ARG A 39 45.975 -1.238 28.840 1.00 58.69 C ATOM 572 NH1 ARG A 39 44.827 -1.720 28.370 1.00 57.04 N ATOM 573 NH2 ARG A 39 46.331 0.005 28.549 1.00 61.33 N ATOM 574 HA ARG A 39 47.122 -2.886 34.764 1.00 0.00 H ATOM 575 HB2 ARG A 39 47.075 -1.780 32.555 1.00 0.00 H ATOM 576 HB3 ARG A 39 47.751 -3.423 32.456 1.00 0.00 H ATOM 577 HG2 ARG A 39 45.377 -4.172 31.805 1.00 0.00 H ATOM 578 HG3 ARG A 39 45.027 -2.445 31.564 1.00 0.00 H ATOM 579 HD2 ARG A 39 45.669 -3.734 29.488 1.00 0.00 H ATOM 580 HD3 ARG A 39 47.300 -3.890 30.182 1.00 0.00 H ATOM 581 HE ARG A 39 47.627 -1.529 29.991 1.00 0.00 H ATOM 582 HH12 ARG A 39 44.249 -1.147 27.722 1.00 0.00 H ATOM 583 HH11 ARG A 39 44.508 -2.669 28.650 1.00 0.00 H ATOM 584 HH22 ARG A 39 45.749 0.575 27.902 1.00 0.00 H ATOM 585 HH21 ARG A 39 47.192 0.411 28.967 1.00 0.00 H ATOM 586 H ARG A 39 44.917 -4.740 34.246 1.00 0.00 H ATOM 587 N CYS A 40 45.142 -1.056 34.423 1.00 24.02 N ATOM 588 CA CYS A 40 43.952 -0.250 34.570 1.00 22.30 C ATOM 589 C CYS A 40 43.513 0.097 33.133 1.00 22.41 C ATOM 590 O CYS A 40 44.208 0.812 32.390 1.00 24.09 O ATOM 591 CB CYS A 40 44.253 1.055 35.320 1.00 22.88 C ATOM 592 SG CYS A 40 45.051 0.884 36.946 1.00 23.60 S ATOM 593 HA CYS A 40 43.190 -0.786 35.135 1.00 0.00 H ATOM 594 HB2 CYS A 40 43.309 1.580 35.467 1.00 0.00 H ATOM 595 HB3 CYS A 40 44.908 1.657 34.690 1.00 0.00 H ATOM 596 HG CYS A 40 46.061 0.077 36.463 1.00 0.00 H ATOM 597 H CYS A 40 46.079 -0.605 34.433 1.00 0.00 H ATOM 598 N LYS A 41 42.401 -0.468 32.697 1.00 23.89 N ATOM 599 CA LYS A 41 41.928 -0.130 31.366 1.00 21.47 C ATOM 600 C LYS A 41 41.624 1.355 31.450 1.00 18.96 C ATOM 601 O LYS A 41 40.879 1.796 32.318 1.00 19.49 O ATOM 602 CB LYS A 41 40.674 -0.932 30.993 1.00 20.79 C ATOM 603 CG LYS A 41 40.327 -0.761 29.513 1.00 19.70 C ATOM 604 CD LYS A 41 39.036 -1.436 29.114 1.00 19.40 C ATOM 605 CE LYS A 41 38.797 -1.268 27.602 1.00 15.99 C ATOM 606 NZ LYS A 41 37.464 -1.805 27.255 1.00 17.91 N ATOM 607 HA LYS A 41 42.661 -0.366 30.594 1.00 0.00 H ATOM 608 HB2 LYS A 41 40.853 -1.988 31.197 1.00 0.00 H ATOM 609 HB3 LYS A 41 39.836 -0.584 31.597 1.00 0.00 H ATOM 610 HG2 LYS A 41 40.240 0.304 29.300 1.00 0.00 H ATOM 611 HG3 LYS A 41 41.136 -1.184 28.918 1.00 0.00 H ATOM 612 HD2 LYS A 41 39.094 -2.498 29.354 1.00 0.00 H ATOM 613 HD3 LYS A 41 38.209 -0.986 29.662 1.00 0.00 H ATOM 614 HE2 LYS A 41 39.564 -1.811 27.049 1.00 0.00 H ATOM 615 HE3 LYS A 41 38.843 -0.211 27.341 1.00 0.00 H ATOM 616 HZ1 LYS A 41 37.422 -2.814 27.505 1.00 0.00 H ATOM 617 HZ2 LYS A 41 36.734 -1.285 27.783 1.00 0.00 H ATOM 618 HZ3 LYS A 41 37.301 -1.692 26.234 1.00 0.00 H ATOM 619 H LYS A 41 41.876 -1.139 33.293 1.00 0.00 H ATOM 620 N PRO A 42 42.254 2.145 30.575 1.00 27.19 N ATOM 621 CA PRO A 42 42.184 3.604 30.402 1.00 29.29 C ATOM 622 C PRO A 42 40.765 4.188 30.302 1.00 26.59 C ATOM 623 O PRO A 42 40.399 5.073 31.083 1.00 25.18 O ATOM 624 CB PRO A 42 42.958 3.825 29.104 1.00 29.39 C ATOM 625 CG PRO A 42 43.911 2.730 29.093 1.00 30.87 C ATOM 626 CD PRO A 42 43.088 1.558 29.512 1.00 29.82 C ATOM 627 HA PRO A 42 42.588 4.116 31.275 1.00 0.00 H ATOM 628 HD3 PRO A 42 42.479 1.185 28.689 1.00 0.00 H ATOM 629 HD2 PRO A 42 43.712 0.751 29.896 1.00 0.00 H ATOM 630 HG3 PRO A 42 44.722 2.910 29.798 1.00 0.00 H ATOM 631 HG2 PRO A 42 44.324 2.581 28.096 1.00 0.00 H ATOM 632 HB2 PRO A 42 42.295 3.775 28.240 1.00 0.00 H ATOM 633 HB3 PRO A 42 43.469 4.788 29.113 1.00 0.00 H ATOM 634 N VAL A 43 39.994 3.741 29.315 1.00 25.41 N ATOM 635 CA VAL A 43 38.607 4.226 29.139 1.00 23.27 C ATOM 636 C VAL A 43 37.687 3.049 28.864 1.00 18.73 C ATOM 637 O VAL A 43 38.058 2.117 28.131 1.00 17.87 O ATOM 638 CB VAL A 43 38.457 5.287 27.993 1.00 22.92 C ATOM 639 CG1 VAL A 43 38.789 4.708 26.700 1.00 20.75 C ATOM 640 CG2 VAL A 43 37.013 5.787 27.909 1.00 25.28 C ATOM 641 HA VAL A 43 38.331 4.725 30.068 1.00 0.00 H ATOM 642 HB VAL A 43 39.137 6.107 28.227 1.00 0.00 H ATOM 643 HG11 VAL A 43 39.819 4.353 26.716 1.00 0.00 H ATOM 644 HG12 VAL A 43 38.119 3.873 26.494 1.00 0.00 H ATOM 645 HG13 VAL A 43 38.676 5.466 25.924 1.00 0.00 H ATOM 646 HG21 VAL A 43 36.350 4.947 27.703 1.00 0.00 H ATOM 647 HG22 VAL A 43 36.734 6.247 28.857 1.00 0.00 H ATOM 648 HG23 VAL A 43 36.930 6.522 27.108 1.00 0.00 H ATOM 649 H VAL A 43 40.374 3.035 28.652 1.00 0.00 H ATOM 650 N ASN A 44 36.486 3.094 29.425 1.00 14.83 N ATOM 651 CA ASN A 44 35.535 2.017 29.210 1.00 13.59 C ATOM 652 C ASN A 44 34.147 2.550 29.424 1.00 15.21 C ATOM 653 O ASN A 44 33.872 3.226 30.404 1.00 16.68 O ATOM 654 CB ASN A 44 35.795 0.825 30.143 1.00 13.09 C ATOM 655 CG ASN A 44 35.003 -0.402 29.738 1.00 15.58 C ATOM 656 OD1 ASN A 44 35.322 -1.065 28.744 1.00 16.92 O ATOM 657 ND2 ASN A 44 33.929 -0.682 30.465 1.00 12.23 N ATOM 658 HA ASN A 44 35.649 1.653 28.189 1.00 0.00 H ATOM 659 HB2 ASN A 44 36.857 0.582 30.115 1.00 0.00 H ATOM 660 HB3 ASN A 44 35.514 1.105 31.158 1.00 0.00 H ATOM 661 HD22 ASN A 44 33.696 -0.099 31.294 1.00 0.00 H ATOM 662 HD21 ASN A 44 33.320 -1.484 30.206 1.00 0.00 H ATOM 663 H ASN A 44 36.224 3.904 30.022 1.00 0.00 H ATOM 664 N THR A 45 33.277 2.274 28.474 1.00 13.17 N ATOM 665 CA THR A 45 31.911 2.752 28.542 1.00 14.03 C ATOM 666 C THR A 45 30.926 1.616 28.912 1.00 11.35 C ATOM 667 O THR A 45 31.052 0.508 28.394 1.00 9.96 O ATOM 668 CB THR A 45 31.538 3.328 27.148 1.00 13.76 C ATOM 669 OG1 THR A 45 32.416 4.410 26.814 1.00 13.41 O ATOM 670 CG2 THR A 45 30.062 3.781 27.102 1.00 15.26 C ATOM 671 HA THR A 45 31.838 3.514 29.318 1.00 0.00 H ATOM 672 HB THR A 45 31.658 2.537 26.408 1.00 0.00 H ATOM 673 HG1 THR A 45 32.171 4.770 25.925 1.00 0.00 H ATOM 674 HG23 THR A 45 29.417 2.941 27.359 1.00 0.00 H ATOM 675 HG21 THR A 45 29.909 4.590 27.816 1.00 0.00 H ATOM 676 HG22 THR A 45 29.822 4.131 26.098 1.00 0.00 H ATOM 677 H THR A 45 33.577 1.702 27.659 1.00 0.00 H ATOM 678 N PHE A 46 29.982 1.879 29.825 1.00 10.03 N ATOM 679 CA PHE A 46 28.935 0.917 30.191 1.00 9.98 C ATOM 680 C PHE A 46 27.613 1.446 29.609 1.00 12.53 C ATOM 681 O PHE A 46 27.321 2.647 29.701 1.00 15.02 O ATOM 682 CB PHE A 46 28.818 0.798 31.707 1.00 10.22 C ATOM 683 CG PHE A 46 29.939 0.028 32.321 1.00 14.72 C ATOM 684 CD1 PHE A 46 29.939 -1.377 32.295 1.00 13.86 C ATOM 685 CD2 PHE A 46 31.016 0.693 32.901 1.00 13.54 C ATOM 686 CE1 PHE A 46 31.003 -2.120 32.841 1.00 16.77 C ATOM 687 CE2 PHE A 46 32.082 -0.041 33.452 1.00 14.60 C ATOM 688 CZ PHE A 46 32.079 -1.446 33.424 1.00 13.09 C ATOM 689 HA PHE A 46 29.174 -0.071 29.798 1.00 0.00 H ATOM 690 HB2 PHE A 46 28.810 1.801 32.135 1.00 0.00 H ATOM 691 HB3 PHE A 46 27.880 0.296 31.945 1.00 0.00 H ATOM 692 HD2 PHE A 46 31.033 1.783 32.928 1.00 0.00 H ATOM 693 HE2 PHE A 46 32.921 0.487 33.906 1.00 0.00 H ATOM 694 HZ PHE A 46 32.910 -2.006 33.854 1.00 0.00 H ATOM 695 HE1 PHE A 46 30.987 -3.209 32.809 1.00 0.00 H ATOM 696 HD1 PHE A 46 29.098 -1.902 31.843 1.00 0.00 H ATOM 697 H PHE A 46 29.991 2.806 30.296 1.00 0.00 H ATOM 698 N VAL A 47 26.826 0.554 29.019 1.00 13.00 N ATOM 699 CA VAL A 47 25.542 0.914 28.404 1.00 14.67 C ATOM 700 C VAL A 47 24.403 0.410 29.273 1.00 13.15 C ATOM 701 O VAL A 47 24.395 -0.759 29.639 1.00 14.44 O ATOM 702 CB VAL A 47 25.428 0.326 26.964 1.00 11.94 C ATOM 703 CG1 VAL A 47 24.082 0.656 26.349 1.00 13.96 C ATOM 704 CG2 VAL A 47 26.565 0.862 26.100 1.00 14.60 C ATOM 705 HA VAL A 47 25.484 2.000 28.327 1.00 0.00 H ATOM 706 HB VAL A 47 25.507 -0.760 27.020 1.00 0.00 H ATOM 707 HG11 VAL A 47 23.289 0.232 26.965 1.00 0.00 H ATOM 708 HG12 VAL A 47 23.964 1.738 26.296 1.00 0.00 H ATOM 709 HG13 VAL A 47 24.029 0.234 25.345 1.00 0.00 H ATOM 710 HG21 VAL A 47 26.503 1.949 26.054 1.00 0.00 H ATOM 711 HG22 VAL A 47 27.520 0.570 26.536 1.00 0.00 H ATOM 712 HG23 VAL A 47 26.482 0.449 25.095 1.00 0.00 H ATOM 713 H VAL A 47 27.131 -0.440 28.991 1.00 0.00 H ATOM 714 N HIS A 48 23.507 1.318 29.670 1.00 14.81 N ATOM 715 CA HIS A 48 22.352 0.988 30.522 1.00 15.59 C ATOM 716 C HIS A 48 21.103 0.841 29.710 1.00 16.71 C ATOM 717 O HIS A 48 20.184 1.668 29.829 1.00 19.60 O ATOM 718 CB HIS A 48 22.093 2.059 31.582 1.00 12.46 C ATOM 719 CG HIS A 48 23.309 2.439 32.356 1.00 16.08 C ATOM 720 ND1 HIS A 48 23.889 1.606 33.280 1.00 17.14 N ATOM 721 CD2 HIS A 48 24.102 3.526 32.283 1.00 16.82 C ATOM 722 CE1 HIS A 48 24.994 2.155 33.736 1.00 17.96 C ATOM 723 NE2 HIS A 48 25.146 3.323 33.145 1.00 18.71 N ATOM 724 HA HIS A 48 22.602 0.046 31.010 1.00 0.00 H ATOM 725 HB2 HIS A 48 21.708 2.950 31.085 1.00 0.00 H ATOM 726 HB3 HIS A 48 21.345 1.681 32.279 1.00 0.00 H ATOM 727 HD2 HIS A 48 23.942 4.403 31.655 1.00 0.00 H ATOM 728 HE1 HIS A 48 25.667 1.719 34.474 1.00 0.00 H ATOM 729 H HIS A 48 23.631 2.304 29.363 1.00 0.00 H ATOM 730 N GLU A 49 21.138 -0.117 28.788 1.00 16.97 N ATOM 731 CA GLU A 49 19.999 -0.418 27.925 1.00 18.49 C ATOM 732 C GLU A 49 19.870 -1.927 27.968 1.00 18.13 C ATOM 733 O GLU A 49 20.762 -2.607 28.472 1.00 17.30 O ATOM 734 CB GLU A 49 20.228 0.037 26.455 1.00 17.99 C ATOM 735 CG GLU A 49 20.380 1.541 26.235 1.00 17.79 C ATOM 736 CD GLU A 49 19.150 2.383 26.664 1.00 23.07 C ATOM 737 OE1 GLU A 49 18.008 1.839 26.689 1.00 21.46 O ATOM 738 OE2 GLU A 49 19.325 3.591 26.983 1.00 22.61 O ATOM 739 HA GLU A 49 19.109 0.108 28.269 1.00 0.00 H ATOM 740 HB2 GLU A 49 21.136 -0.447 26.094 1.00 0.00 H ATOM 741 HB3 GLU A 49 19.377 -0.302 25.864 1.00 0.00 H ATOM 742 HG2 GLU A 49 21.243 1.883 26.806 1.00 0.00 H ATOM 743 HG3 GLU A 49 20.557 1.714 25.173 1.00 0.00 H ATOM 744 H GLU A 49 22.010 -0.673 28.677 1.00 0.00 H ATOM 745 N SER A 50 18.766 -2.445 27.441 1.00 17.40 N ATOM 746 CA SER A 50 18.561 -3.871 27.394 1.00 18.13 C ATOM 747 C SER A 50 19.503 -4.416 26.359 1.00 15.77 C ATOM 748 O SER A 50 19.854 -3.735 25.404 1.00 18.37 O ATOM 749 CB SER A 50 17.131 -4.182 26.966 1.00 19.09 C ATOM 750 OG SER A 50 16.934 -3.887 25.603 1.00 21.03 O ATOM 751 HA SER A 50 18.737 -4.313 28.375 1.00 0.00 H ATOM 752 HB2 SER A 50 16.442 -3.584 27.563 1.00 0.00 H ATOM 753 HB3 SER A 50 16.931 -5.240 27.134 1.00 0.00 H ATOM 754 HG SER A 50 17.554 -4.431 25.056 1.00 0.00 H ATOM 755 H SER A 50 18.037 -1.811 27.056 1.00 0.00 H ATOM 756 N LEU A 51 19.853 -5.679 26.512 1.00 15.66 N ATOM 757 CA LEU A 51 20.728 -6.338 25.577 1.00 15.86 C ATOM 758 C LEU A 51 20.126 -6.355 24.160 1.00 18.61 C ATOM 759 O LEU A 51 20.846 -6.162 23.193 1.00 15.13 O ATOM 760 CB LEU A 51 20.986 -7.744 26.049 1.00 18.11 C ATOM 761 CG LEU A 51 21.879 -8.508 25.112 1.00 20.05 C ATOM 762 CD1 LEU A 51 23.251 -7.808 25.001 1.00 19.26 C ATOM 763 CD2 LEU A 51 21.984 -9.908 25.701 1.00 22.79 C ATOM 764 HA LEU A 51 21.666 -5.785 25.529 1.00 0.00 H ATOM 765 HB2 LEU A 51 21.460 -7.703 27.030 1.00 0.00 H ATOM 766 HB3 LEU A 51 20.033 -8.267 26.129 1.00 0.00 H ATOM 767 HG LEU A 51 21.486 -8.554 24.096 1.00 0.00 H ATOM 768 HD21 LEU A 51 22.413 -9.849 26.701 1.00 0.00 H ATOM 769 HD22 LEU A 51 20.990 -10.353 25.756 1.00 0.00 H ATOM 770 HD23 LEU A 51 22.623 -10.521 25.066 1.00 0.00 H ATOM 771 HD11 LEU A 51 23.112 -6.797 24.619 1.00 0.00 H ATOM 772 HD12 LEU A 51 23.716 -7.765 25.986 1.00 0.00 H ATOM 773 HD13 LEU A 51 23.890 -8.370 24.320 1.00 0.00 H ATOM 774 H LEU A 51 19.488 -6.211 27.327 1.00 0.00 H ATOM 775 N ALA A 52 18.820 -6.591 24.037 1.00 16.78 N ATOM 776 CA ALA A 52 18.151 -6.610 22.730 1.00 15.94 C ATOM 777 C ALA A 52 18.288 -5.261 22.076 1.00 12.37 C ATOM 778 O ALA A 52 18.463 -5.180 20.862 1.00 13.90 O ATOM 779 CB ALA A 52 16.665 -6.945 22.885 1.00 12.62 C ATOM 780 HA ALA A 52 18.621 -7.375 22.112 1.00 0.00 H ATOM 781 HB1 ALA A 52 16.561 -7.926 23.348 1.00 0.00 H ATOM 782 HB2 ALA A 52 16.188 -6.193 23.514 1.00 0.00 H ATOM 783 HB3 ALA A 52 16.191 -6.953 21.903 1.00 0.00 H ATOM 784 H ALA A 52 18.257 -6.767 24.894 1.00 0.00 H ATOM 785 N ASP A 53 18.151 -4.190 22.844 1.00 13.71 N ATOM 786 CA ASP A 53 18.309 -2.865 22.268 1.00 17.49 C ATOM 787 C ASP A 53 19.707 -2.628 21.710 1.00 16.48 C ATOM 788 O ASP A 53 19.859 -2.037 20.636 1.00 13.43 O ATOM 789 CB ASP A 53 18.001 -1.799 23.284 1.00 17.83 C ATOM 790 CG ASP A 53 16.544 -1.547 23.379 1.00 23.83 C ATOM 791 OD1 ASP A 53 15.757 -2.204 22.663 1.00 27.90 O ATOM 792 OD2 ASP A 53 16.179 -0.676 24.161 1.00 26.25 O ATOM 793 HA ASP A 53 17.601 -2.809 21.441 1.00 0.00 H ATOM 794 HB2 ASP A 53 18.370 -2.120 24.258 1.00 0.00 H ATOM 795 HB3 ASP A 53 18.503 -0.876 22.993 1.00 0.00 H ATOM 796 H ASP A 53 17.931 -4.297 23.855 1.00 0.00 H ATOM 797 N VAL A 54 20.713 -3.067 22.454 1.00 14.17 N ATOM 798 CA VAL A 54 22.087 -2.890 22.007 1.00 13.20 C ATOM 799 C VAL A 54 22.437 -3.785 20.802 1.00 11.45 C ATOM 800 O VAL A 54 23.118 -3.338 19.873 1.00 11.02 O ATOM 801 CB VAL A 54 23.058 -3.047 23.169 1.00 12.66 C ATOM 802 CG1 VAL A 54 24.523 -2.953 22.681 1.00 15.98 C ATOM 803 CG2 VAL A 54 22.747 -1.978 24.187 1.00 14.04 C ATOM 804 HA VAL A 54 22.187 -1.868 21.641 1.00 0.00 H ATOM 805 HB VAL A 54 22.942 -4.031 23.624 1.00 0.00 H ATOM 806 HG11 VAL A 54 24.714 -3.743 21.955 1.00 0.00 H ATOM 807 HG12 VAL A 54 24.688 -1.982 22.215 1.00 0.00 H ATOM 808 HG13 VAL A 54 25.196 -3.068 23.531 1.00 0.00 H ATOM 809 HG21 VAL A 54 22.865 -0.996 23.728 1.00 0.00 H ATOM 810 HG22 VAL A 54 21.721 -2.097 24.535 1.00 0.00 H ATOM 811 HG23 VAL A 54 23.431 -2.071 25.030 1.00 0.00 H ATOM 812 H VAL A 54 20.520 -3.539 23.360 1.00 0.00 H ATOM 813 N GLN A 55 21.912 -5.007 20.767 1.00 10.48 N ATOM 814 CA GLN A 55 22.171 -5.876 19.620 1.00 11.13 C ATOM 815 C GLN A 55 21.550 -5.330 18.356 1.00 11.14 C ATOM 816 O GLN A 55 22.118 -5.468 17.269 1.00 12.77 O ATOM 817 CB GLN A 55 21.664 -7.278 19.869 1.00 12.32 C ATOM 818 CG GLN A 55 22.469 -8.044 20.885 1.00 16.49 C ATOM 819 CD GLN A 55 21.778 -9.323 21.312 1.00 22.94 C ATOM 820 OE1 GLN A 55 22.431 -10.284 21.708 1.00 26.29 O ATOM 821 NE2 GLN A 55 20.445 -9.341 21.243 1.00 26.85 N ATOM 822 HA GLN A 55 23.253 -5.909 19.488 1.00 0.00 H ATOM 823 HB2 GLN A 55 20.635 -7.214 20.223 1.00 0.00 H ATOM 824 HB3 GLN A 55 21.689 -7.825 18.927 1.00 0.00 H ATOM 825 HG2 GLN A 55 23.437 -8.295 20.451 1.00 0.00 H ATOM 826 HG3 GLN A 55 22.618 -7.415 21.762 1.00 0.00 H ATOM 827 HE22 GLN A 55 19.931 -8.504 20.901 1.00 0.00 H ATOM 828 HE21 GLN A 55 19.921 -10.192 21.531 1.00 0.00 H ATOM 829 H GLN A 55 21.319 -5.343 21.553 1.00 0.00 H ATOM 830 N ALA A 56 20.427 -4.634 18.514 1.00 11.59 N ATOM 831 CA ALA A 56 19.699 -4.052 17.386 1.00 9.99 C ATOM 832 C ALA A 56 20.530 -3.015 16.684 1.00 12.29 C ATOM 833 O ALA A 56 20.280 -2.731 15.520 1.00 15.97 O ATOM 834 CB ALA A 56 18.410 -3.432 17.831 1.00 9.05 C ATOM 835 HA ALA A 56 19.480 -4.865 16.694 1.00 0.00 H ATOM 836 HB1 ALA A 56 17.782 -4.194 18.293 1.00 0.00 H ATOM 837 HB2 ALA A 56 18.618 -2.643 18.554 1.00 0.00 H ATOM 838 HB3 ALA A 56 17.895 -3.009 16.968 1.00 0.00 H ATOM 839 H ALA A 56 20.053 -4.499 19.475 1.00 0.00 H ATOM 840 N VAL A 57 21.512 -2.448 17.387 1.00 11.78 N ATOM 841 CA VAL A 57 22.372 -1.427 16.796 1.00 13.50 C ATOM 842 C VAL A 57 23.128 -1.996 15.571 1.00 12.50 C ATOM 843 O VAL A 57 23.426 -1.250 14.639 1.00 10.52 O ATOM 844 CB VAL A 57 23.357 -0.797 17.847 1.00 11.11 C ATOM 845 CG1 VAL A 57 24.308 0.182 17.164 1.00 14.93 C ATOM 846 CG2 VAL A 57 22.562 -0.054 18.958 1.00 11.74 C ATOM 847 HA VAL A 57 21.731 -0.615 16.452 1.00 0.00 H ATOM 848 HB VAL A 57 23.935 -1.604 18.298 1.00 0.00 H ATOM 849 HG11 VAL A 57 24.887 -0.345 16.405 1.00 0.00 H ATOM 850 HG12 VAL A 57 23.731 0.979 16.694 1.00 0.00 H ATOM 851 HG13 VAL A 57 24.983 0.609 17.906 1.00 0.00 H ATOM 852 HG21 VAL A 57 21.967 0.740 18.508 1.00 0.00 H ATOM 853 HG22 VAL A 57 21.904 -0.759 19.466 1.00 0.00 H ATOM 854 HG23 VAL A 57 23.260 0.376 19.677 1.00 0.00 H ATOM 855 H VAL A 57 21.668 -2.738 18.373 1.00 0.00 H ATOM 856 N CYS A 58 23.340 -3.317 15.521 1.00 12.54 N ATOM 857 CA CYS A 58 24.050 -3.907 14.383 1.00 14.15 C ATOM 858 C CYS A 58 23.278 -3.796 13.071 1.00 11.93 C ATOM 859 O CYS A 58 23.841 -4.052 12.029 1.00 12.06 O ATOM 860 CB CYS A 58 24.456 -5.373 14.656 1.00 10.87 C ATOM 861 SG CYS A 58 25.588 -5.521 16.059 1.00 12.98 S ATOM 862 HA CYS A 58 24.958 -3.316 14.266 1.00 0.00 H ATOM 863 HB2 CYS A 58 24.944 -5.773 13.767 1.00 0.00 H ATOM 864 HB3 CYS A 58 23.557 -5.952 14.867 1.00 0.00 H ATOM 865 HG CYS A 58 24.854 -4.632 16.817 1.00 0.00 H ATOM 866 H CYS A 58 23.000 -3.926 16.292 1.00 0.00 H ATOM 867 N SER A 59 22.007 -3.389 13.122 1.00 13.24 N ATOM 868 CA SER A 59 21.202 -3.229 11.917 1.00 15.30 C ATOM 869 C SER A 59 20.880 -1.753 11.713 1.00 12.92 C ATOM 870 O SER A 59 20.061 -1.410 10.872 1.00 14.06 O ATOM 871 CB SER A 59 19.904 -4.030 12.026 1.00 16.77 C ATOM 872 OG SER A 59 19.053 -3.438 13.002 1.00 27.21 O ATOM 873 HA SER A 59 21.769 -3.603 11.064 1.00 0.00 H ATOM 874 HB2 SER A 59 20.134 -5.054 12.319 1.00 0.00 H ATOM 875 HB3 SER A 59 19.399 -4.035 11.060 1.00 0.00 H ATOM 876 HG SER A 59 18.215 -3.961 13.068 1.00 0.00 H ATOM 877 H SER A 59 21.580 -3.180 14.047 1.00 0.00 H ATOM 878 N GLN A 60 21.531 -0.873 12.478 1.00 11.14 N ATOM 879 CA GLN A 60 21.285 0.557 12.388 1.00 9.87 C ATOM 880 C GLN A 60 22.226 1.319 11.465 1.00 14.61 C ATOM 881 O GLN A 60 22.549 0.784 10.394 1.00 14.42 O ATOM 882 CB GLN A 60 21.120 1.166 13.787 1.00 9.25 C ATOM 883 CG GLN A 60 19.811 0.610 14.395 1.00 11.26 C ATOM 884 CD GLN A 60 19.513 1.006 15.839 1.00 13.24 C ATOM 885 OE1 GLN A 60 19.966 2.021 16.311 1.00 15.22 O ATOM 886 NE2 GLN A 60 18.733 0.179 16.544 1.00 12.58 N ATOM 887 HA GLN A 60 20.332 0.678 11.873 1.00 0.00 H ATOM 888 HB2 GLN A 60 21.967 0.889 14.414 1.00 0.00 H ATOM 889 HB3 GLN A 60 21.063 2.252 13.714 1.00 0.00 H ATOM 890 HG2 GLN A 60 18.983 0.959 13.777 1.00 0.00 H ATOM 891 HG3 GLN A 60 19.861 -0.478 14.352 1.00 0.00 H ATOM 892 HE22 GLN A 60 18.361 -0.687 16.104 1.00 0.00 H ATOM 893 HE21 GLN A 60 18.499 0.402 17.532 1.00 0.00 H ATOM 894 H GLN A 60 22.236 -1.221 13.159 1.00 0.00 H ATOM 895 N LYS A 61 22.737 2.494 11.850 1.00 11.38 N ATOM 896 CA LYS A 61 23.539 3.239 10.892 1.00 10.97 C ATOM 897 C LYS A 61 24.974 2.791 10.687 1.00 14.49 C ATOM 898 O LYS A 61 25.810 2.884 11.574 1.00 15.22 O ATOM 899 CB LYS A 61 23.464 4.715 11.184 1.00 10.09 C ATOM 900 CG LYS A 61 24.031 5.596 10.090 1.00 13.19 C ATOM 901 CD LYS A 61 24.274 6.908 10.746 1.00 18.13 C ATOM 902 CE LYS A 61 24.646 7.992 9.802 1.00 24.82 C ATOM 903 NZ LYS A 61 24.511 9.181 10.703 1.00 33.11 N ATOM 904 HA LYS A 61 23.078 3.008 9.932 1.00 0.00 H ATOM 905 HB2 LYS A 61 22.417 4.982 11.330 1.00 0.00 H ATOM 906 HB3 LYS A 61 24.018 4.910 12.102 1.00 0.00 H ATOM 907 HG2 LYS A 61 24.962 5.180 9.706 1.00 0.00 H ATOM 908 HG3 LYS A 61 23.317 5.701 9.273 1.00 0.00 H ATOM 909 HD2 LYS A 61 23.365 7.205 11.269 1.00 0.00 H ATOM 910 HD3 LYS A 61 25.083 6.787 11.467 1.00 0.00 H ATOM 911 HE2 LYS A 61 23.960 8.045 8.956 1.00 0.00 H ATOM 912 HE3 LYS A 61 25.666 7.876 9.435 1.00 0.00 H ATOM 913 HZ1 LYS A 61 23.533 9.241 11.051 1.00 0.00 H ATOM 914 HZ2 LYS A 61 25.162 9.080 11.508 1.00 0.00 H ATOM 915 HZ3 LYS A 61 24.745 10.045 10.173 1.00 0.00 H ATOM 916 H LYS A 61 22.566 2.864 12.807 1.00 0.00 H ATOM 917 N ASN A 62 25.260 2.313 9.481 1.00 14.93 N ATOM 918 CA ASN A 62 26.585 1.830 9.164 1.00 12.56 C ATOM 919 C ASN A 62 27.561 2.998 8.996 1.00 16.59 C ATOM 920 O ASN A 62 27.303 3.925 8.230 1.00 17.04 O ATOM 921 CB ASN A 62 26.523 0.975 7.908 1.00 16.29 C ATOM 922 CG ASN A 62 27.856 0.392 7.555 1.00 19.34 C ATOM 923 OD1 ASN A 62 28.262 0.449 6.411 1.00 25.74 O ATOM 924 ND2 ASN A 62 28.566 -0.130 8.538 1.00 18.88 N ATOM 925 HA ASN A 62 26.952 1.216 9.986 1.00 0.00 H ATOM 926 HB2 ASN A 62 25.816 0.162 8.071 1.00 0.00 H ATOM 927 HB3 ASN A 62 26.179 1.593 7.079 1.00 0.00 H ATOM 928 HD22 ASN A 62 28.178 -0.157 9.502 1.00 0.00 H ATOM 929 HD21 ASN A 62 29.514 -0.514 8.348 1.00 0.00 H ATOM 930 H ASN A 62 24.518 2.286 8.753 1.00 0.00 H ATOM 931 N VAL A 63 28.605 3.016 9.822 1.00 13.25 N ATOM 932 CA VAL A 63 29.619 4.078 9.797 1.00 12.74 C ATOM 933 C VAL A 63 31.012 3.442 9.851 1.00 10.18 C ATOM 934 O VAL A 63 31.156 2.298 10.266 1.00 11.52 O ATOM 935 CB VAL A 63 29.466 5.074 11.019 1.00 11.76 C ATOM 936 CG1 VAL A 63 28.143 5.831 10.941 1.00 14.08 C ATOM 937 CG2 VAL A 63 29.538 4.322 12.344 1.00 14.14 C ATOM 938 HA VAL A 63 29.483 4.647 8.877 1.00 0.00 H ATOM 939 HB VAL A 63 30.289 5.787 10.967 1.00 0.00 H ATOM 940 HG11 VAL A 63 28.108 6.404 10.014 1.00 0.00 H ATOM 941 HG12 VAL A 63 27.317 5.120 10.962 1.00 0.00 H ATOM 942 HG13 VAL A 63 28.063 6.508 11.791 1.00 0.00 H ATOM 943 HG21 VAL A 63 28.735 3.587 12.387 1.00 0.00 H ATOM 944 HG22 VAL A 63 30.500 3.816 12.421 1.00 0.00 H ATOM 945 HG23 VAL A 63 29.430 5.028 13.167 1.00 0.00 H ATOM 946 H VAL A 63 28.707 2.246 10.514 1.00 0.00 H ATOM 947 N ALA A 64 32.029 4.177 9.416 1.00 12.50 N ATOM 948 CA ALA A 64 33.409 3.699 9.457 1.00 11.06 C ATOM 949 C ALA A 64 33.890 3.631 10.895 1.00 9.92 C ATOM 950 O ALA A 64 33.603 4.523 11.699 1.00 10.09 O ATOM 951 CB ALA A 64 34.314 4.653 8.660 1.00 11.79 C ATOM 952 HA ALA A 64 33.452 2.704 9.015 1.00 0.00 H ATOM 953 HB1 ALA A 64 33.976 4.692 7.624 1.00 0.00 H ATOM 954 HB2 ALA A 64 34.264 5.650 9.098 1.00 0.00 H ATOM 955 HB3 ALA A 64 35.341 4.291 8.695 1.00 0.00 H ATOM 956 H ALA A 64 31.837 5.125 9.033 1.00 0.00 H ATOM 957 N CYS A 65 34.641 2.586 11.210 1.00 10.82 N ATOM 958 CA CYS A 65 35.226 2.417 12.531 1.00 8.86 C ATOM 959 C CYS A 65 36.470 3.264 12.592 1.00 9.87 C ATOM 960 O CYS A 65 37.101 3.512 11.548 1.00 9.54 O ATOM 961 CB CYS A 65 35.655 0.962 12.734 1.00 12.50 C ATOM 962 SG CYS A 65 34.361 -0.300 12.601 1.00 14.75 S ATOM 963 HA CYS A 65 34.498 2.699 13.291 1.00 0.00 H ATOM 964 HB2 CYS A 65 36.092 0.883 13.730 1.00 0.00 H ATOM 965 HB3 CYS A 65 36.415 0.735 11.986 1.00 0.00 H ATOM 966 HG CYS A 65 35.482 -0.882 13.157 1.00 0.00 H ATOM 967 H CYS A 65 34.819 1.860 10.487 1.00 0.00 H ATOM 968 N LYS A 66 36.889 3.611 13.804 1.00 9.90 N ATOM 969 CA LYS A 66 38.096 4.433 13.983 1.00 16.48 C ATOM 970 C LYS A 66 39.323 3.788 13.349 1.00 18.72 C ATOM 971 O LYS A 66 40.228 4.477 12.885 1.00 19.06 O ATOM 972 CB LYS A 66 38.384 4.712 15.456 1.00 14.76 C ATOM 973 CG LYS A 66 37.479 5.721 16.056 1.00 19.63 C ATOM 974 CD LYS A 66 37.640 5.784 17.559 1.00 22.27 C ATOM 975 CE LYS A 66 36.905 7.003 18.108 1.00 25.64 C ATOM 976 NZ LYS A 66 36.678 6.920 19.602 1.00 33.69 N ATOM 977 HA LYS A 66 37.891 5.377 13.478 1.00 0.00 H ATOM 978 HB2 LYS A 66 38.278 3.780 16.011 1.00 0.00 H ATOM 979 HB3 LYS A 66 39.409 5.072 15.545 1.00 0.00 H ATOM 980 HG2 LYS A 66 37.708 6.699 15.633 1.00 0.00 H ATOM 981 HG3 LYS A 66 36.448 5.457 15.820 1.00 0.00 H ATOM 982 HD2 LYS A 66 37.226 4.880 18.006 1.00 0.00 H ATOM 983 HD3 LYS A 66 38.699 5.858 17.807 1.00 0.00 H ATOM 984 HE2 LYS A 66 35.938 7.081 17.611 1.00 0.00 H ATOM 985 HE3 LYS A 66 37.496 7.894 17.893 1.00 0.00 H ATOM 986 HZ1 LYS A 66 36.108 6.078 19.819 1.00 0.00 H ATOM 987 HZ2 LYS A 66 37.595 6.853 20.088 1.00 0.00 H ATOM 988 HZ3 LYS A 66 36.176 7.772 19.923 1.00 0.00 H ATOM 989 H LYS A 66 36.355 3.297 14.639 1.00 0.00 H ATOM 990 N ASN A 67 39.350 2.466 13.332 1.00 18.91 N ATOM 991 CA ASN A 67 40.459 1.745 12.738 1.00 18.70 C ATOM 992 C ASN A 67 40.352 1.613 11.223 1.00 17.40 C ATOM 993 O ASN A 67 41.169 0.956 10.611 1.00 26.16 O ATOM 994 CB ASN A 67 40.621 0.366 13.397 1.00 19.59 C ATOM 995 CG ASN A 67 39.565 -0.656 12.944 1.00 24.98 C ATOM 996 OD1 ASN A 67 38.588 -0.332 12.253 1.00 21.63 O ATOM 997 ND2 ASN A 67 39.825 -1.922 13.259 1.00 30.00 N ATOM 998 HA ASN A 67 41.352 2.341 12.928 1.00 0.00 H ATOM 999 HB2 ASN A 67 41.608 -0.023 13.147 1.00 0.00 H ATOM 1000 HB3 ASN A 67 40.543 0.488 14.477 1.00 0.00 H ATOM 1001 HD22 ASN A 67 40.655 -2.153 13.841 1.00 0.00 H ATOM 1002 HD21 ASN A 67 39.198 -2.681 12.923 1.00 0.00 H ATOM 1003 H ASN A 67 38.562 1.934 13.752 1.00 0.00 H ATOM 1004 N GLY A 68 39.351 2.205 10.603 1.00 15.33 N ATOM 1005 CA GLY A 68 39.249 2.098 9.166 1.00 13.25 C ATOM 1006 C GLY A 68 38.374 0.970 8.668 1.00 19.35 C ATOM 1007 O GLY A 68 37.986 0.966 7.488 1.00 21.88 O ATOM 1008 HA3 GLY A 68 40.252 1.950 8.766 1.00 0.00 H ATOM 1009 HA2 GLY A 68 38.842 3.035 8.785 1.00 0.00 H ATOM 1010 H GLY A 68 38.643 2.743 11.142 1.00 0.00 H ATOM 1011 N GLN A 69 38.046 -0.001 9.519 1.00 17.82 N ATOM 1012 CA GLN A 69 37.165 -1.079 9.066 1.00 17.69 C ATOM 1013 C GLN A 69 35.757 -0.506 8.887 1.00 18.67 C ATOM 1014 O GLN A 69 35.455 0.588 9.383 1.00 14.95 O ATOM 1015 CB GLN A 69 37.178 -2.252 10.049 1.00 25.19 C ATOM 1016 CG GLN A 69 38.420 -3.145 9.908 1.00 38.03 C ATOM 1017 CD GLN A 69 38.311 -4.482 10.689 1.00 48.64 C ATOM 1018 OE1 GLN A 69 38.984 -4.675 11.718 1.00 54.12 O ATOM 1019 NE2 GLN A 69 37.486 -5.416 10.181 1.00 50.21 N ATOM 1020 HA GLN A 69 37.519 -1.472 8.113 1.00 0.00 H ATOM 1021 HB2 GLN A 69 37.150 -1.855 11.064 1.00 0.00 H ATOM 1022 HB3 GLN A 69 36.291 -2.861 9.874 1.00 0.00 H ATOM 1023 HG2 GLN A 69 38.564 -3.372 8.852 1.00 0.00 H ATOM 1024 HG3 GLN A 69 39.285 -2.596 10.281 1.00 0.00 H ATOM 1025 HE22 GLN A 69 36.941 -5.215 9.319 1.00 0.00 H ATOM 1026 HE21 GLN A 69 37.394 -6.339 10.651 1.00 0.00 H ATOM 1027 H GLN A 69 38.411 0.007 10.493 1.00 0.00 H ATOM 1028 N THR A 70 34.900 -1.226 8.184 1.00 14.14 N ATOM 1029 CA THR A 70 33.568 -0.713 7.960 1.00 19.77 C ATOM 1030 C THR A 70 32.429 -1.419 8.646 1.00 16.24 C ATOM 1031 O THR A 70 31.276 -1.177 8.306 1.00 20.32 O ATOM 1032 CB THR A 70 33.246 -0.660 6.487 1.00 24.35 C ATOM 1033 OG1 THR A 70 33.410 -1.967 5.920 1.00 26.12 O ATOM 1034 CG2 THR A 70 34.151 0.356 5.810 1.00 29.23 C ATOM 1035 HA THR A 70 33.628 0.274 8.418 1.00 0.00 H ATOM 1036 HB THR A 70 32.212 -0.349 6.335 1.00 0.00 H ATOM 1037 HG1 THR A 70 33.199 -1.935 4.953 1.00 0.00 H ATOM 1038 HG23 THR A 70 34.000 1.335 6.265 1.00 0.00 H ATOM 1039 HG21 THR A 70 35.191 0.053 5.933 1.00 0.00 H ATOM 1040 HG22 THR A 70 33.909 0.406 4.748 1.00 0.00 H ATOM 1041 H THR A 70 35.181 -2.150 7.797 1.00 0.00 H ATOM 1042 N ASN A 71 32.731 -2.265 9.618 1.00 12.56 N ATOM 1043 CA ASN A 71 31.679 -2.980 10.344 1.00 13.29 C ATOM 1044 C ASN A 71 31.238 -2.249 11.639 1.00 9.98 C ATOM 1045 O ASN A 71 30.997 -2.879 12.673 1.00 12.35 O ATOM 1046 CB ASN A 71 32.120 -4.419 10.650 1.00 12.58 C ATOM 1047 CG ASN A 71 33.352 -4.468 11.500 1.00 12.66 C ATOM 1048 OD1 ASN A 71 34.299 -3.726 11.272 1.00 18.69 O ATOM 1049 ND2 ASN A 71 33.368 -5.343 12.467 1.00 13.49 N ATOM 1050 HA ASN A 71 30.806 -3.007 9.692 1.00 0.00 H ATOM 1051 HB2 ASN A 71 31.312 -4.930 11.174 1.00 0.00 H ATOM 1052 HB3 ASN A 71 32.322 -4.931 9.709 1.00 0.00 H ATOM 1053 HD22 ASN A 71 32.543 -5.955 12.628 1.00 0.00 H ATOM 1054 HD21 ASN A 71 34.206 -5.429 13.077 1.00 0.00 H ATOM 1055 H ASN A 71 33.728 -2.424 9.869 1.00 0.00 H ATOM 1056 N CYS A 72 31.150 -0.918 11.591 1.00 11.21 N ATOM 1057 CA CYS A 72 30.707 -0.149 12.751 1.00 9.32 C ATOM 1058 C CYS A 72 29.336 0.420 12.488 1.00 8.07 C ATOM 1059 O CYS A 72 28.972 0.671 11.337 1.00 9.49 O ATOM 1060 CB CYS A 72 31.696 0.926 13.145 1.00 10.27 C ATOM 1061 SG CYS A 72 33.061 0.196 14.072 1.00 13.03 S ATOM 1062 HA CYS A 72 30.650 -0.825 13.604 1.00 0.00 H ATOM 1063 HB2 CYS A 72 31.194 1.669 13.765 1.00 0.00 H ATOM 1064 HB3 CYS A 72 32.085 1.406 12.247 1.00 0.00 H ATOM 1065 HG CYS A 72 32.012 -0.701 14.079 1.00 0.00 H ATOM 1066 H CYS A 72 31.401 -0.420 10.713 1.00 0.00 H ATOM 1067 N TYR A 73 28.547 0.525 13.551 1.00 8.98 N ATOM 1068 CA TYR A 73 27.163 0.983 13.453 1.00 8.25 C ATOM 1069 C TYR A 73 26.865 1.947 14.568 1.00 9.18 C ATOM 1070 O TYR A 73 27.285 1.755 15.723 1.00 11.91 O ATOM 1071 CB TYR A 73 26.181 -0.208 13.522 1.00 8.52 C ATOM 1072 CG TYR A 73 26.404 -1.258 12.441 1.00 8.04 C ATOM 1073 CD1 TYR A 73 27.374 -2.235 12.598 1.00 9.51 C ATOM 1074 CD2 TYR A 73 25.755 -1.175 11.218 1.00 10.91 C ATOM 1075 CE1 TYR A 73 27.710 -3.075 11.586 1.00 12.08 C ATOM 1076 CE2 TYR A 73 26.076 -2.011 10.183 1.00 11.19 C ATOM 1077 CZ TYR A 73 27.065 -2.964 10.369 1.00 13.96 C ATOM 1078 OH TYR A 73 27.444 -3.808 9.332 1.00 18.22 O ATOM 1079 HA TYR A 73 27.035 1.482 12.492 1.00 0.00 H ATOM 1080 HB3 TYR A 73 25.166 0.178 13.422 1.00 0.00 H ATOM 1081 HB2 TYR A 73 26.291 -0.688 14.494 1.00 0.00 H ATOM 1082 HD2 TYR A 73 24.973 -0.429 11.078 1.00 0.00 H ATOM 1083 HE2 TYR A 73 25.561 -1.928 9.226 1.00 0.00 H ATOM 1084 HE1 TYR A 73 28.482 -3.831 11.732 1.00 0.00 H ATOM 1085 HD1 TYR A 73 27.880 -2.331 13.559 1.00 0.00 H ATOM 1086 HH TYR A 73 28.158 -4.417 9.648 1.00 0.00 H ATOM 1087 H TYR A 73 28.927 0.273 14.485 1.00 0.00 H ATOM 1088 N GLN A 74 26.122 2.985 14.215 1.00 9.96 N ATOM 1089 CA GLN A 74 25.723 4.020 15.156 1.00 13.19 C ATOM 1090 C GLN A 74 24.240 3.906 15.492 1.00 10.34 C ATOM 1091 O GLN A 74 23.414 3.671 14.610 1.00 12.19 O ATOM 1092 CB GLN A 74 25.990 5.386 14.538 1.00 13.76 C ATOM 1093 CG GLN A 74 25.790 6.586 15.464 1.00 16.65 C ATOM 1094 CD GLN A 74 26.181 7.857 14.760 1.00 19.78 C ATOM 1095 OE1 GLN A 74 27.256 7.944 14.213 1.00 25.89 O ATOM 1096 NE2 GLN A 74 25.300 8.825 14.737 1.00 26.28 N ATOM 1097 HA GLN A 74 26.299 3.898 16.073 1.00 0.00 H ATOM 1098 HB2 GLN A 74 27.023 5.400 14.190 1.00 0.00 H ATOM 1099 HB3 GLN A 74 25.320 5.505 13.687 1.00 0.00 H ATOM 1100 HG2 GLN A 74 24.742 6.644 15.757 1.00 0.00 H ATOM 1101 HG3 GLN A 74 26.408 6.462 16.353 1.00 0.00 H ATOM 1102 HE22 GLN A 74 24.387 8.709 15.221 1.00 0.00 H ATOM 1103 HE21 GLN A 74 25.513 9.710 14.235 1.00 0.00 H ATOM 1104 H GLN A 74 25.811 3.063 13.226 1.00 0.00 H ATOM 1105 N SER A 75 23.910 4.051 16.766 1.00 12.60 N ATOM 1106 CA SER A 75 22.518 3.970 17.178 1.00 12.54 C ATOM 1107 C SER A 75 21.761 5.229 16.720 1.00 13.24 C ATOM 1108 O SER A 75 22.293 6.339 16.754 1.00 12.05 O ATOM 1109 CB SER A 75 22.417 3.791 18.700 1.00 9.80 C ATOM 1110 OG SER A 75 22.850 4.954 19.362 1.00 11.61 O ATOM 1111 HA SER A 75 22.059 3.101 16.707 1.00 0.00 H ATOM 1112 HB2 SER A 75 23.041 2.951 19.005 1.00 0.00 H ATOM 1113 HB3 SER A 75 21.380 3.589 18.970 1.00 0.00 H ATOM 1114 HG SER A 75 22.283 5.718 19.089 1.00 0.00 H ATOM 1115 H SER A 75 24.650 4.224 17.476 1.00 0.00 H ATOM 1116 N TYR A 76 20.548 5.041 16.209 1.00 12.97 N ATOM 1117 CA TYR A 76 19.704 6.164 15.772 1.00 15.17 C ATOM 1118 C TYR A 76 19.261 6.974 16.975 1.00 13.93 C ATOM 1119 O TYR A 76 19.223 8.181 16.925 1.00 17.72 O ATOM 1120 CB TYR A 76 18.493 5.682 15.004 1.00 13.04 C ATOM 1121 CG TYR A 76 18.849 5.134 13.670 1.00 10.59 C ATOM 1122 CD1 TYR A 76 19.533 5.917 12.714 1.00 11.08 C ATOM 1123 CD2 TYR A 76 18.539 3.830 13.353 1.00 11.43 C ATOM 1124 CE1 TYR A 76 19.883 5.387 11.472 1.00 12.06 C ATOM 1125 CE2 TYR A 76 18.882 3.295 12.111 1.00 14.10 C ATOM 1126 CZ TYR A 76 19.547 4.077 11.184 1.00 11.18 C ATOM 1127 OH TYR A 76 19.805 3.512 9.967 1.00 15.24 O ATOM 1128 HA TYR A 76 20.297 6.790 15.106 1.00 0.00 H ATOM 1129 HB3 TYR A 76 17.809 6.519 14.867 1.00 0.00 H ATOM 1130 HB2 TYR A 76 17.999 4.902 15.583 1.00 0.00 H ATOM 1131 HD2 TYR A 76 18.019 3.208 14.082 1.00 0.00 H ATOM 1132 HE2 TYR A 76 18.626 2.263 11.872 1.00 0.00 H ATOM 1133 HE1 TYR A 76 20.413 5.996 10.740 1.00 0.00 H ATOM 1134 HD1 TYR A 76 19.791 6.949 12.950 1.00 0.00 H ATOM 1135 HH TYR A 76 20.369 2.708 10.091 1.00 0.00 H ATOM 1136 H TYR A 76 20.185 4.071 16.115 1.00 0.00 H ATOM 1137 N SER A 77 19.022 6.313 18.087 1.00 16.15 N ATOM 1138 CA SER A 77 18.628 7.008 19.299 1.00 19.51 C ATOM 1139 C SER A 77 19.809 7.110 20.242 1.00 18.25 C ATOM 1140 O SER A 77 20.773 6.357 20.131 1.00 16.32 O ATOM 1141 CB SER A 77 17.547 6.214 20.030 1.00 22.46 C ATOM 1142 OG SER A 77 16.444 5.939 19.189 1.00 35.84 O ATOM 1143 HA SER A 77 18.264 7.996 19.017 1.00 0.00 H ATOM 1144 HB2 SER A 77 17.203 6.792 20.888 1.00 0.00 H ATOM 1145 HB3 SER A 77 17.972 5.272 20.375 1.00 0.00 H ATOM 1146 HG SER A 77 15.765 5.425 19.694 1.00 0.00 H ATOM 1147 H SER A 77 19.117 5.277 18.098 1.00 0.00 H ATOM 1148 N THR A 78 19.723 8.041 21.180 1.00 17.23 N ATOM 1149 CA THR A 78 20.751 8.190 22.194 1.00 19.13 C ATOM 1150 C THR A 78 20.382 7.086 23.201 1.00 17.64 C ATOM 1151 O THR A 78 19.208 6.625 23.273 1.00 16.21 O ATOM 1152 CB THR A 78 20.675 9.577 22.908 1.00 18.56 C ATOM 1153 OG1 THR A 78 19.353 9.776 23.423 1.00 22.82 O ATOM 1154 CG2 THR A 78 20.961 10.683 21.942 1.00 17.35 C ATOM 1155 HA THR A 78 21.756 8.121 21.778 1.00 0.00 H ATOM 1156 HB THR A 78 21.412 9.588 23.711 1.00 0.00 H ATOM 1157 HG1 THR A 78 19.141 9.058 24.071 1.00 0.00 H ATOM 1158 HG23 THR A 78 21.964 10.557 21.533 1.00 0.00 H ATOM 1159 HG21 THR A 78 20.231 10.655 21.133 1.00 0.00 H ATOM 1160 HG22 THR A 78 20.896 11.641 22.458 1.00 0.00 H ATOM 1161 H THR A 78 18.902 8.679 21.190 1.00 0.00 H ATOM 1162 N MET A 79 21.384 6.665 23.963 1.00 14.77 N ATOM 1163 CA MET A 79 21.219 5.641 24.968 1.00 11.85 C ATOM 1164 C MET A 79 21.851 6.147 26.233 1.00 11.20 C ATOM 1165 O MET A 79 22.702 7.047 26.202 1.00 13.67 O ATOM 1166 CB MET A 79 21.927 4.365 24.526 1.00 13.63 C ATOM 1167 CG MET A 79 21.264 3.711 23.327 1.00 15.24 C ATOM 1168 SD MET A 79 22.052 2.178 22.936 1.00 19.14 S ATOM 1169 CE MET A 79 20.900 1.503 21.748 1.00 21.86 C ATOM 1170 HA MET A 79 20.162 5.420 25.120 1.00 0.00 H ATOM 1171 HB2 MET A 79 22.957 4.610 24.265 1.00 0.00 H ATOM 1172 HB3 MET A 79 21.922 3.658 25.356 1.00 0.00 H ATOM 1173 HG2 MET A 79 21.336 4.380 22.469 1.00 0.00 H ATOM 1174 HG3 MET A 79 20.214 3.526 23.555 1.00 0.00 H ATOM 1175 HE1 MET A 79 19.923 1.385 22.217 1.00 0.00 H ATOM 1176 HE2 MET A 79 20.817 2.181 20.899 1.00 0.00 H ATOM 1177 HE3 MET A 79 21.260 0.532 21.406 1.00 0.00 H ATOM 1178 H MET A 79 22.324 7.089 23.831 1.00 0.00 H ATOM 1179 N SER A 80 21.464 5.556 27.346 1.00 10.95 N ATOM 1180 CA SER A 80 22.029 5.950 28.640 1.00 13.47 C ATOM 1181 C SER A 80 23.391 5.233 28.822 1.00 14.81 C ATOM 1182 O SER A 80 23.434 4.010 28.802 1.00 17.70 O ATOM 1183 CB SER A 80 21.079 5.515 29.744 1.00 13.33 C ATOM 1184 OG SER A 80 21.646 5.839 30.980 1.00 16.34 O ATOM 1185 HA SER A 80 22.169 7.030 28.681 1.00 0.00 H ATOM 1186 HB2 SER A 80 20.917 4.439 29.686 1.00 0.00 H ATOM 1187 HB3 SER A 80 20.125 6.031 29.632 1.00 0.00 H ATOM 1188 HG SER A 80 21.034 5.559 31.706 1.00 0.00 H ATOM 1189 H SER A 80 20.749 4.801 27.306 1.00 0.00 H ATOM 1190 N ILE A 81 24.486 5.968 29.006 1.00 12.14 N ATOM 1191 CA ILE A 81 25.788 5.340 29.151 1.00 14.60 C ATOM 1192 C ILE A 81 26.547 5.970 30.288 1.00 18.02 C ATOM 1193 O ILE A 81 26.249 7.103 30.695 1.00 19.06 O ATOM 1194 CB ILE A 81 26.668 5.569 27.899 1.00 15.37 C ATOM 1195 CG1 ILE A 81 26.953 7.087 27.732 1.00 16.59 C ATOM 1196 CG2 ILE A 81 26.013 4.913 26.633 1.00 13.37 C ATOM 1197 CD1 ILE A 81 28.060 7.461 26.789 1.00 15.72 C ATOM 1198 HA ILE A 81 25.600 4.279 29.314 1.00 0.00 H ATOM 1199 HB ILE A 81 27.632 5.076 28.025 1.00 0.00 H ATOM 1200 HG12 ILE A 81 26.038 7.558 27.373 1.00 0.00 H ATOM 1201 HG13 ILE A 81 27.205 7.487 28.714 1.00 0.00 H ATOM 1202 HD11 ILE A 81 28.994 7.018 27.134 1.00 0.00 H ATOM 1203 HD12 ILE A 81 27.827 7.090 25.791 1.00 0.00 H ATOM 1204 HD13 ILE A 81 28.160 8.546 26.760 1.00 0.00 H ATOM 1205 HG21 ILE A 81 25.904 3.841 26.796 1.00 0.00 H ATOM 1206 HG22 ILE A 81 25.033 5.357 26.461 1.00 0.00 H ATOM 1207 HG23 ILE A 81 26.649 5.087 25.765 1.00 0.00 H ATOM 1208 H ILE A 81 24.408 7.004 29.046 1.00 0.00 H ATOM 1209 N THR A 82 27.531 5.238 30.796 1.00 15.52 N ATOM 1210 CA THR A 82 28.405 5.775 31.827 1.00 16.35 C ATOM 1211 C THR A 82 29.803 5.626 31.289 1.00 18.37 C ATOM 1212 O THR A 82 30.250 4.549 30.886 1.00 18.82 O ATOM 1213 CB THR A 82 28.310 5.065 33.162 1.00 13.70 C ATOM 1214 OG1 THR A 82 26.978 5.166 33.644 1.00 14.51 O ATOM 1215 CG2 THR A 82 29.252 5.740 34.177 1.00 17.39 C ATOM 1216 HA THR A 82 28.113 6.805 32.031 1.00 0.00 H ATOM 1217 HB THR A 82 28.592 4.020 33.037 1.00 0.00 H ATOM 1218 HG1 THR A 82 26.361 4.744 32.995 1.00 0.00 H ATOM 1219 HG23 THR A 82 30.279 5.670 33.820 1.00 0.00 H ATOM 1220 HG21 THR A 82 28.975 6.788 34.287 1.00 0.00 H ATOM 1221 HG22 THR A 82 29.166 5.237 35.140 1.00 0.00 H ATOM 1222 H THR A 82 27.679 4.268 30.452 1.00 0.00 H ATOM 1223 N ASP A 83 30.478 6.742 31.213 1.00 20.57 N ATOM 1224 CA ASP A 83 31.812 6.761 30.710 1.00 23.16 C ATOM 1225 C ASP A 83 32.806 6.688 31.896 1.00 23.78 C ATOM 1226 O ASP A 83 32.637 7.392 32.909 1.00 17.75 O ATOM 1227 CB ASP A 83 31.959 8.026 29.907 1.00 24.95 C ATOM 1228 CG ASP A 83 33.261 8.139 29.324 1.00 34.34 C ATOM 1229 OD1 ASP A 83 34.121 8.705 30.016 1.00 40.18 O ATOM 1230 OD2 ASP A 83 33.437 7.612 28.211 1.00 41.70 O ATOM 1231 HA ASP A 83 32.027 5.906 30.069 1.00 0.00 H ATOM 1232 HB2 ASP A 83 31.215 8.027 29.111 1.00 0.00 H ATOM 1233 HB3 ASP A 83 31.790 8.881 30.562 1.00 0.00 H ATOM 1234 H ASP A 83 30.035 7.630 31.524 1.00 0.00 H ATOM 1235 N CYS A 84 33.771 5.771 31.807 1.00 20.79 N ATOM 1236 CA CYS A 84 34.753 5.612 32.866 1.00 21.33 C ATOM 1237 C CYS A 84 36.112 5.962 32.345 1.00 20.92 C ATOM 1238 O CYS A 84 36.593 5.322 31.412 1.00 21.74 O ATOM 1239 CB CYS A 84 34.752 4.187 33.394 1.00 21.85 C ATOM 1240 SG CYS A 84 33.182 3.661 34.128 1.00 18.72 S ATOM 1241 HA CYS A 84 34.493 6.281 33.687 1.00 0.00 H ATOM 1242 HB2 CYS A 84 35.529 4.105 34.154 1.00 0.00 H ATOM 1243 HB3 CYS A 84 34.983 3.516 32.566 1.00 0.00 H ATOM 1244 HG CYS A 84 32.376 4.001 33.061 1.00 0.00 H ATOM 1245 H CYS A 84 33.821 5.161 30.967 1.00 0.00 H ATOM 1246 N ARG A 85 36.730 6.979 32.943 1.00 21.62 N ATOM 1247 CA ARG A 85 38.057 7.426 32.530 1.00 27.10 C ATOM 1248 C ARG A 85 39.014 7.464 33.693 1.00 25.35 C ATOM 1249 O ARG A 85 38.673 7.893 34.802 1.00 25.80 O ATOM 1250 CB ARG A 85 38.005 8.785 31.801 1.00 30.96 C ATOM 1251 CG ARG A 85 37.409 8.630 30.401 1.00 37.59 C ATOM 1252 CD ARG A 85 37.243 9.904 29.560 1.00 41.34 C ATOM 1253 NE ARG A 85 36.421 9.588 28.378 1.00 45.11 N ATOM 1254 CZ ARG A 85 36.884 9.295 27.155 1.00 46.50 C ATOM 1255 NH1 ARG A 85 38.190 9.291 26.898 1.00 50.86 N ATOM 1256 NH2 ARG A 85 36.045 8.918 26.195 1.00 43.20 N ATOM 1257 HA ARG A 85 38.433 6.692 31.817 1.00 0.00 H ATOM 1258 HB2 ARG A 85 37.389 9.476 32.377 1.00 0.00 H ATOM 1259 HB3 ARG A 85 39.016 9.184 31.717 1.00 0.00 H ATOM 1260 HG2 ARG A 85 38.055 7.951 29.844 1.00 0.00 H ATOM 1261 HG3 ARG A 85 36.422 8.181 30.513 1.00 0.00 H ATOM 1262 HD2 ARG A 85 38.221 10.263 29.241 1.00 0.00 H ATOM 1263 HD3 ARG A 85 36.751 10.674 30.154 1.00 0.00 H ATOM 1264 HE ARG A 85 35.389 9.593 28.505 1.00 0.00 H ATOM 1265 HH12 ARG A 85 38.531 9.061 25.943 1.00 0.00 H ATOM 1266 HH11 ARG A 85 38.869 9.518 27.652 1.00 0.00 H ATOM 1267 HH22 ARG A 85 36.408 8.691 25.247 1.00 0.00 H ATOM 1268 HH21 ARG A 85 35.026 8.850 26.392 1.00 0.00 H ATOM 1269 H ARG A 85 36.253 7.469 33.727 1.00 0.00 H ATOM 1270 N GLU A 86 40.199 6.933 33.434 1.00 28.11 N ATOM 1271 CA GLU A 86 41.253 6.818 34.430 1.00 33.32 C ATOM 1272 C GLU A 86 41.743 8.170 34.941 1.00 35.25 C ATOM 1273 O GLU A 86 41.941 9.095 34.146 1.00 34.41 O ATOM 1274 CB GLU A 86 42.400 6.000 33.846 1.00 32.68 C ATOM 1275 CG GLU A 86 43.432 5.650 34.875 1.00 38.54 C ATOM 1276 CD GLU A 86 44.494 4.699 34.372 1.00 34.90 C ATOM 1277 OE1 GLU A 86 45.065 3.987 35.221 1.00 37.69 O ATOM 1278 OE2 GLU A 86 44.767 4.677 33.154 1.00 36.60 O ATOM 1279 HA GLU A 86 40.839 6.309 35.300 1.00 0.00 H ATOM 1280 HB2 GLU A 86 41.996 5.078 33.427 1.00 0.00 H ATOM 1281 HB3 GLU A 86 42.876 6.579 33.055 1.00 0.00 H ATOM 1282 HG2 GLU A 86 43.919 6.569 35.201 1.00 0.00 H ATOM 1283 HG3 GLU A 86 42.929 5.187 35.724 1.00 0.00 H ATOM 1284 H GLU A 86 40.385 6.582 32.473 1.00 0.00 H ATOM 1285 N THR A 87 41.844 8.312 36.262 1.00 36.22 N ATOM 1286 CA THR A 87 42.315 9.565 36.843 1.00 42.52 C ATOM 1287 C THR A 87 43.856 9.587 36.988 1.00 47.57 C ATOM 1288 O THR A 87 44.574 8.746 36.408 1.00 46.72 O ATOM 1289 CB THR A 87 41.641 9.846 38.218 1.00 41.35 C ATOM 1290 OG1 THR A 87 42.051 8.874 39.188 1.00 43.86 O ATOM 1291 CG2 THR A 87 40.157 9.814 38.088 1.00 41.16 C ATOM 1292 HA THR A 87 42.029 10.358 36.152 1.00 0.00 H ATOM 1293 HB THR A 87 41.953 10.837 38.548 1.00 0.00 H ATOM 1294 HG1 THR A 87 41.788 7.971 38.880 1.00 0.00 H ATOM 1295 HG23 THR A 87 39.842 10.552 37.351 1.00 0.00 H ATOM 1296 HG21 THR A 87 39.843 8.821 37.766 1.00 0.00 H ATOM 1297 HG22 THR A 87 39.704 10.045 39.052 1.00 0.00 H ATOM 1298 H THR A 87 41.584 7.521 36.886 1.00 0.00 H ATOM 1299 N GLY A 88 44.350 10.557 37.767 1.00 53.92 N ATOM 1300 CA GLY A 88 45.782 10.709 38.010 1.00 52.95 C ATOM 1301 C GLY A 88 46.286 9.914 39.202 1.00 52.90 C ATOM 1302 O GLY A 88 47.377 9.359 39.139 1.00 59.10 O ATOM 1303 HA3 GLY A 88 45.992 11.764 38.186 1.00 0.00 H ATOM 1304 HA2 GLY A 88 46.319 10.376 37.122 1.00 0.00 H ATOM 1305 H GLY A 88 43.691 11.226 38.215 1.00 0.00 H ATOM 1306 N SER A 89 45.516 9.860 40.288 1.00 51.46 N ATOM 1307 CA SER A 89 45.911 9.081 41.470 1.00 53.85 C ATOM 1308 C SER A 89 45.861 7.580 41.150 1.00 50.49 C ATOM 1309 O SER A 89 46.198 6.733 41.988 1.00 51.79 O ATOM 1310 CB SER A 89 44.957 9.361 42.647 1.00 59.25 C ATOM 1311 OG SER A 89 43.628 8.884 42.403 1.00 62.91 O ATOM 1312 HA SER A 89 46.925 9.374 41.744 1.00 0.00 H ATOM 1313 HB2 SER A 89 44.917 10.437 42.816 1.00 0.00 H ATOM 1314 HB3 SER A 89 45.347 8.869 43.538 1.00 0.00 H ATOM 1315 HG SER A 89 43.057 9.087 43.186 1.00 0.00 H ATOM 1316 H SER A 89 44.616 10.381 40.300 1.00 0.00 H ATOM 1317 N SER A 90 45.338 7.270 39.966 1.00 45.22 N ATOM 1318 CA SER A 90 45.203 5.914 39.504 1.00 36.51 C ATOM 1319 C SER A 90 46.568 5.346 39.256 1.00 34.02 C ATOM 1320 O SER A 90 47.230 5.771 38.315 1.00 33.84 O ATOM 1321 CB SER A 90 44.448 5.892 38.188 1.00 32.12 C ATOM 1322 OG SER A 90 44.183 4.559 37.814 1.00 29.55 O ATOM 1323 HA SER A 90 44.668 5.334 40.256 1.00 0.00 H ATOM 1324 HB2 SER A 90 45.050 6.372 37.417 1.00 0.00 H ATOM 1325 HB3 SER A 90 43.507 6.431 38.301 1.00 0.00 H ATOM 1326 HG SER A 90 43.691 4.550 36.955 1.00 0.00 H ATOM 1327 H SER A 90 45.013 8.041 39.348 1.00 0.00 H ATOM 1328 N LYS A 91 46.994 4.408 40.099 1.00 33.18 N ATOM 1329 CA LYS A 91 48.286 3.753 39.915 1.00 35.06 C ATOM 1330 C LYS A 91 48.057 2.291 40.078 1.00 31.20 C ATOM 1331 O LYS A 91 47.683 1.854 41.167 1.00 30.34 O ATOM 1332 CB LYS A 91 49.324 4.213 40.939 1.00 40.31 C ATOM 1333 CG LYS A 91 50.079 5.490 40.526 1.00 50.13 C ATOM 1334 CD LYS A 91 50.712 5.385 39.111 1.00 57.38 C ATOM 1335 CE LYS A 91 51.057 6.779 38.529 1.00 62.42 C ATOM 1336 NZ LYS A 91 51.682 6.732 37.170 1.00 66.33 N ATOM 1337 HA LYS A 91 48.678 4.006 38.930 1.00 0.00 H ATOM 1338 HB2 LYS A 91 48.814 4.405 41.883 1.00 0.00 H ATOM 1339 HB3 LYS A 91 50.051 3.412 41.076 1.00 0.00 H ATOM 1340 HG2 LYS A 91 49.380 6.326 40.534 1.00 0.00 H ATOM 1341 HG3 LYS A 91 50.873 5.675 41.250 1.00 0.00 H ATOM 1342 HD2 LYS A 91 51.625 4.794 39.176 1.00 0.00 H ATOM 1343 HD3 LYS A 91 50.006 4.889 38.445 1.00 0.00 H ATOM 1344 HE2 LYS A 91 51.751 7.273 39.209 1.00 0.00 H ATOM 1345 HE3 LYS A 91 50.138 7.361 38.464 1.00 0.00 H ATOM 1346 HZ1 LYS A 91 52.568 6.189 37.216 1.00 0.00 H ATOM 1347 HZ2 LYS A 91 51.027 6.274 36.504 1.00 0.00 H ATOM 1348 HZ3 LYS A 91 51.883 7.700 36.849 1.00 0.00 H ATOM 1349 H LYS A 91 46.395 4.136 40.904 1.00 0.00 H ATOM 1350 N TYR A 92 48.238 1.533 38.999 1.00 29.19 N ATOM 1351 CA TYR A 92 48.027 0.089 39.064 1.00 30.04 C ATOM 1352 C TYR A 92 48.788 -0.463 40.288 1.00 27.91 C ATOM 1353 O TYR A 92 49.886 -0.006 40.600 1.00 26.86 O ATOM 1354 CB TYR A 92 48.504 -0.589 37.771 1.00 27.29 C ATOM 1355 CG TYR A 92 48.273 -2.088 37.770 1.00 27.99 C ATOM 1356 CD1 TYR A 92 47.050 -2.629 37.383 1.00 24.59 C ATOM 1357 CD2 TYR A 92 49.289 -2.972 38.153 1.00 28.24 C ATOM 1358 CE1 TYR A 92 46.850 -4.016 37.372 1.00 26.54 C ATOM 1359 CE2 TYR A 92 49.096 -4.351 38.143 1.00 28.85 C ATOM 1360 CZ TYR A 92 47.880 -4.868 37.746 1.00 29.08 C ATOM 1361 OH TYR A 92 47.715 -6.232 37.679 1.00 31.12 O ATOM 1362 HA TYR A 92 46.963 -0.124 39.169 1.00 0.00 H ATOM 1363 HB3 TYR A 92 49.571 -0.401 37.653 1.00 0.00 H ATOM 1364 HB2 TYR A 92 47.965 -0.153 36.930 1.00 0.00 H ATOM 1365 HD2 TYR A 92 50.253 -2.572 38.466 1.00 0.00 H ATOM 1366 HE2 TYR A 92 49.902 -5.019 38.447 1.00 0.00 H ATOM 1367 HE1 TYR A 92 45.886 -4.426 37.070 1.00 0.00 H ATOM 1368 HD1 TYR A 92 46.238 -1.966 37.085 1.00 0.00 H ATOM 1369 HH TYR A 92 46.794 -6.438 37.380 1.00 0.00 H ATOM 1370 H TYR A 92 48.532 1.972 38.103 1.00 0.00 H ATOM 1371 N PRO A 93 48.191 -1.412 41.035 1.00 26.75 N ATOM 1372 CA PRO A 93 46.873 -2.042 40.876 1.00 26.98 C ATOM 1373 C PRO A 93 45.706 -1.235 41.456 1.00 27.12 C ATOM 1374 O PRO A 93 44.577 -1.733 41.499 1.00 27.47 O ATOM 1375 CB PRO A 93 47.046 -3.329 41.664 1.00 25.98 C ATOM 1376 CG PRO A 93 47.870 -2.844 42.851 1.00 27.01 C ATOM 1377 CD PRO A 93 48.930 -2.025 42.158 1.00 26.81 C ATOM 1378 HA PRO A 93 46.612 -2.155 39.824 1.00 0.00 H ATOM 1379 HD3 PRO A 93 49.335 -1.263 42.824 1.00 0.00 H ATOM 1380 HD2 PRO A 93 49.741 -2.657 41.796 1.00 0.00 H ATOM 1381 HG3 PRO A 93 48.306 -3.677 43.402 1.00 0.00 H ATOM 1382 HG2 PRO A 93 47.273 -2.234 43.529 1.00 0.00 H ATOM 1383 HB2 PRO A 93 46.086 -3.734 41.983 1.00 0.00 H ATOM 1384 HB3 PRO A 93 47.582 -4.082 41.086 1.00 0.00 H ATOM 1385 N ASN A 94 45.993 -0.049 41.988 1.00 26.21 N ATOM 1386 CA ASN A 94 44.957 0.786 42.572 1.00 28.28 C ATOM 1387 C ASN A 94 44.430 1.754 41.533 1.00 27.01 C ATOM 1388 O ASN A 94 44.737 2.949 41.538 1.00 27.74 O ATOM 1389 CB ASN A 94 45.456 1.524 43.819 1.00 35.47 C ATOM 1390 CG ASN A 94 46.011 0.574 44.886 1.00 42.40 C ATOM 1391 OD1 ASN A 94 47.210 0.588 45.168 1.00 47.87 O ATOM 1392 ND2 ASN A 94 45.150 -0.263 45.465 1.00 41.70 N ATOM 1393 HA ASN A 94 44.141 0.141 42.896 1.00 0.00 H ATOM 1394 HB2 ASN A 94 46.245 2.216 43.523 1.00 0.00 H ATOM 1395 HB3 ASN A 94 44.626 2.084 44.249 1.00 0.00 H ATOM 1396 HD22 ASN A 94 44.145 -0.242 45.198 1.00 0.00 H ATOM 1397 HD21 ASN A 94 45.483 -0.937 46.184 1.00 0.00 H ATOM 1398 H ASN A 94 46.977 0.286 41.986 1.00 0.00 H ATOM 1399 N CYS A 95 43.638 1.206 40.625 1.00 23.43 N ATOM 1400 CA CYS A 95 43.049 1.975 39.538 1.00 25.09 C ATOM 1401 C CYS A 95 41.965 2.935 40.038 1.00 24.28 C ATOM 1402 O CYS A 95 41.192 2.611 40.942 1.00 26.50 O ATOM 1403 CB CYS A 95 42.494 1.010 38.479 1.00 25.60 C ATOM 1404 SG CYS A 95 43.714 -0.242 37.940 1.00 23.33 S ATOM 1405 HA CYS A 95 43.826 2.594 39.089 1.00 0.00 H ATOM 1406 HB2 CYS A 95 42.184 1.590 37.610 1.00 0.00 H ATOM 1407 HB3 CYS A 95 41.630 0.495 38.898 1.00 0.00 H ATOM 1408 HG CYS A 95 44.171 -0.473 39.221 1.00 0.00 H ATOM 1409 H CYS A 95 43.429 0.189 40.690 1.00 0.00 H ATOM 1410 N ALA A 96 41.944 4.138 39.484 1.00 26.12 N ATOM 1411 CA ALA A 96 40.959 5.128 39.902 1.00 24.30 C ATOM 1412 C ALA A 96 40.343 5.702 38.657 1.00 20.33 C ATOM 1413 O ALA A 96 41.055 5.970 37.682 1.00 19.23 O ATOM 1414 CB ALA A 96 41.604 6.221 40.735 1.00 27.06 C ATOM 1415 HA ALA A 96 40.197 4.662 40.527 1.00 0.00 H ATOM 1416 HB1 ALA A 96 42.056 5.780 41.624 1.00 0.00 H ATOM 1417 HB2 ALA A 96 42.373 6.720 40.145 1.00 0.00 H ATOM 1418 HB3 ALA A 96 40.845 6.945 41.032 1.00 0.00 H ATOM 1419 H ALA A 96 42.635 4.378 38.745 1.00 0.00 H ATOM 1420 N TYR A 97 39.011 5.824 38.688 1.00 21.85 N ATOM 1421 CA TYR A 97 38.231 6.320 37.570 1.00 23.53 C ATOM 1422 C TYR A 97 37.266 7.447 37.910 1.00 22.70 C ATOM 1423 O TYR A 97 36.805 7.593 39.032 1.00 22.84 O ATOM 1424 CB TYR A 97 37.385 5.190 36.963 1.00 21.31 C ATOM 1425 CG TYR A 97 38.200 4.084 36.385 1.00 18.51 C ATOM 1426 CD1 TYR A 97 38.673 3.047 37.197 1.00 16.75 C ATOM 1427 CD2 TYR A 97 38.604 4.126 35.054 1.00 18.46 C ATOM 1428 CE1 TYR A 97 39.545 2.099 36.703 1.00 15.68 C ATOM 1429 CE2 TYR A 97 39.470 3.176 34.549 1.00 17.87 C ATOM 1430 CZ TYR A 97 39.942 2.171 35.386 1.00 18.19 C ATOM 1431 OH TYR A 97 40.852 1.257 34.898 1.00 21.86 O ATOM 1432 HA TYR A 97 38.978 6.709 36.878 1.00 0.00 H ATOM 1433 HB3 TYR A 97 36.763 5.610 36.173 1.00 0.00 H ATOM 1434 HB2 TYR A 97 36.747 4.777 37.745 1.00 0.00 H ATOM 1435 HD2 TYR A 97 38.233 4.917 34.403 1.00 0.00 H ATOM 1436 HE2 TYR A 97 39.780 3.214 33.505 1.00 0.00 H ATOM 1437 HE1 TYR A 97 39.916 1.302 37.348 1.00 0.00 H ATOM 1438 HD1 TYR A 97 38.347 2.987 38.236 1.00 0.00 H ATOM 1439 HH TYR A 97 40.453 0.772 34.133 1.00 0.00 H ATOM 1440 H TYR A 97 38.510 5.550 39.557 1.00 0.00 H ATOM 1441 N LYS A 98 36.944 8.203 36.877 1.00 27.72 N ATOM 1442 CA LYS A 98 35.986 9.271 36.958 1.00 31.96 C ATOM 1443 C LYS A 98 34.752 8.710 36.245 1.00 27.90 C ATOM 1444 O LYS A 98 34.846 8.223 35.120 1.00 25.96 O ATOM 1445 CB LYS A 98 36.485 10.509 36.221 1.00 37.49 C ATOM 1446 CG LYS A 98 35.410 11.565 36.045 1.00 47.49 C ATOM 1447 CD LYS A 98 35.991 12.875 35.549 1.00 56.94 C ATOM 1448 CE LYS A 98 36.860 12.679 34.302 1.00 63.12 C ATOM 1449 NZ LYS A 98 36.107 12.233 33.087 1.00 67.41 N ATOM 1450 HA LYS A 98 35.793 9.575 37.987 1.00 0.00 H ATOM 1451 HB2 LYS A 98 37.309 10.943 36.787 1.00 0.00 H ATOM 1452 HB3 LYS A 98 36.841 10.208 35.236 1.00 0.00 H ATOM 1453 HG2 LYS A 98 34.677 11.207 35.323 1.00 0.00 H ATOM 1454 HG3 LYS A 98 34.920 11.735 37.004 1.00 0.00 H ATOM 1455 HD2 LYS A 98 35.174 13.554 35.306 1.00 0.00 H ATOM 1456 HD3 LYS A 98 36.602 13.312 36.339 1.00 0.00 H ATOM 1457 HE2 LYS A 98 37.617 11.929 34.528 1.00 0.00 H ATOM 1458 HE3 LYS A 98 37.347 13.627 34.073 1.00 0.00 H ATOM 1459 HZ1 LYS A 98 35.645 11.322 33.282 1.00 0.00 H ATOM 1460 HZ2 LYS A 98 35.387 12.944 32.847 1.00 0.00 H ATOM 1461 HZ3 LYS A 98 36.768 12.125 32.291 1.00 0.00 H ATOM 1462 H LYS A 98 37.404 8.017 35.963 1.00 0.00 H ATOM 1463 N THR A 99 33.643 8.712 36.967 1.00 24.86 N ATOM 1464 CA THR A 99 32.352 8.263 36.492 1.00 27.66 C ATOM 1465 C THR A 99 31.609 9.404 35.801 1.00 31.75 C ATOM 1466 O THR A 99 31.438 10.478 36.370 1.00 36.58 O ATOM 1467 CB THR A 99 31.508 7.779 37.676 1.00 25.31 C ATOM 1468 OG1 THR A 99 32.157 6.650 38.271 1.00 26.89 O ATOM 1469 CG2 THR A 99 30.060 7.403 37.235 1.00 19.16 C ATOM 1470 HA THR A 99 32.511 7.451 35.782 1.00 0.00 H ATOM 1471 HB THR A 99 31.422 8.588 38.401 1.00 0.00 H ATOM 1472 HG1 THR A 99 33.057 6.916 38.585 1.00 0.00 H ATOM 1473 HG23 THR A 99 29.581 8.273 36.785 1.00 0.00 H ATOM 1474 HG21 THR A 99 30.102 6.593 36.507 1.00 0.00 H ATOM 1475 HG22 THR A 99 29.488 7.082 38.106 1.00 0.00 H ATOM 1476 H THR A 99 33.704 9.061 37.945 1.00 0.00 H ATOM 1477 N THR A 100 31.099 9.160 34.610 1.00 30.20 N ATOM 1478 CA THR A 100 30.391 10.209 33.915 1.00 31.51 C ATOM 1479 C THR A 100 29.166 9.674 33.173 1.00 27.33 C ATOM 1480 O THR A 100 29.300 8.894 32.238 1.00 23.92 O ATOM 1481 CB THR A 100 31.342 10.876 32.964 1.00 33.95 C ATOM 1482 OG1 THR A 100 32.540 11.176 33.678 1.00 41.34 O ATOM 1483 CG2 THR A 100 30.737 12.156 32.422 1.00 39.20 C ATOM 1484 HA THR A 100 30.022 10.931 34.643 1.00 0.00 H ATOM 1485 HB THR A 100 31.551 10.215 32.123 1.00 0.00 H ATOM 1486 HG1 THR A 100 32.935 10.337 34.025 1.00 0.00 H ATOM 1487 HG23 THR A 100 29.822 11.922 31.877 1.00 0.00 H ATOM 1488 HG21 THR A 100 30.507 12.827 33.250 1.00 0.00 H ATOM 1489 HG22 THR A 100 31.448 12.637 31.750 1.00 0.00 H ATOM 1490 H THR A 100 31.206 8.221 34.175 1.00 0.00 H ATOM 1491 N GLN A 101 27.981 10.089 33.603 1.00 23.30 N ATOM 1492 CA GLN A 101 26.757 9.636 32.996 1.00 24.16 C ATOM 1493 C GLN A 101 26.431 10.583 31.867 1.00 23.81 C ATOM 1494 O GLN A 101 26.688 11.778 31.964 1.00 24.76 O ATOM 1495 CB GLN A 101 25.646 9.605 34.052 1.00 28.39 C ATOM 1496 CG GLN A 101 24.215 9.392 33.541 1.00 27.29 C ATOM 1497 CD GLN A 101 24.066 8.130 32.742 1.00 28.41 C ATOM 1498 OE1 GLN A 101 23.287 8.060 31.781 1.00 27.05 O ATOM 1499 NE2 GLN A 101 24.836 7.121 33.117 1.00 30.41 N ATOM 1500 HA GLN A 101 26.856 8.626 32.599 1.00 0.00 H ATOM 1501 HB2 GLN A 101 25.873 8.796 34.747 1.00 0.00 H ATOM 1502 HB3 GLN A 101 25.669 10.556 34.584 1.00 0.00 H ATOM 1503 HG2 GLN A 101 23.542 9.344 34.397 1.00 0.00 H ATOM 1504 HG3 GLN A 101 23.940 10.238 32.911 1.00 0.00 H ATOM 1505 HE22 GLN A 101 25.474 7.229 33.931 1.00 0.00 H ATOM 1506 HE21 GLN A 101 24.803 6.221 32.598 1.00 0.00 H ATOM 1507 H GLN A 101 27.936 10.758 34.398 1.00 0.00 H ATOM 1508 N ALA A 102 25.883 10.055 30.790 1.00 18.21 N ATOM 1509 CA ALA A 102 25.529 10.893 29.655 1.00 20.42 C ATOM 1510 C ALA A 102 24.546 10.108 28.804 1.00 19.54 C ATOM 1511 O ALA A 102 24.356 8.916 29.029 1.00 17.64 O ATOM 1512 CB ALA A 102 26.794 11.212 28.841 1.00 21.24 C ATOM 1513 HA ALA A 102 25.085 11.833 29.983 1.00 0.00 H ATOM 1514 HB1 ALA A 102 27.509 11.738 29.474 1.00 0.00 H ATOM 1515 HB2 ALA A 102 27.238 10.283 28.484 1.00 0.00 H ATOM 1516 HB3 ALA A 102 26.529 11.840 27.991 1.00 0.00 H ATOM 1517 H ALA A 102 25.703 9.031 30.752 1.00 0.00 H ATOM 1518 N ASN A 103 23.913 10.788 27.852 1.00 17.48 N ATOM 1519 CA ASN A 103 22.995 10.163 26.919 1.00 19.01 C ATOM 1520 C ASN A 103 23.581 10.457 25.560 1.00 18.36 C ATOM 1521 O ASN A 103 23.547 11.586 25.118 1.00 23.36 O ATOM 1522 CB ASN A 103 21.585 10.759 26.993 1.00 22.34 C ATOM 1523 CG ASN A 103 20.764 10.131 28.083 1.00 26.85 C ATOM 1524 OD1 ASN A 103 20.199 9.055 27.911 1.00 33.03 O ATOM 1525 ND2 ASN A 103 20.722 10.781 29.229 1.00 31.29 N ATOM 1526 HA ASN A 103 22.889 9.101 27.138 1.00 0.00 H ATOM 1527 HB2 ASN A 103 21.665 11.829 27.184 1.00 0.00 H ATOM 1528 HB3 ASN A 103 21.084 10.598 26.038 1.00 0.00 H ATOM 1529 HD22 ASN A 103 21.216 11.691 29.329 1.00 0.00 H ATOM 1530 HD21 ASN A 103 20.195 10.384 30.033 1.00 0.00 H ATOM 1531 H ASN A 103 24.083 11.811 27.773 1.00 0.00 H ATOM 1532 N LYS A 104 24.066 9.443 24.859 1.00 16.45 N ATOM 1533 CA LYS A 104 24.673 9.688 23.568 1.00 15.01 C ATOM 1534 C LYS A 104 24.428 8.519 22.653 1.00 13.21 C ATOM 1535 O LYS A 104 23.868 7.517 23.054 1.00 13.08 O ATOM 1536 CB LYS A 104 26.185 9.855 23.744 1.00 19.01 C ATOM 1537 CG LYS A 104 26.580 11.022 24.624 1.00 25.28 C ATOM 1538 CD LYS A 104 28.061 11.032 24.925 1.00 31.54 C ATOM 1539 CE LYS A 104 28.832 11.772 23.872 1.00 40.21 C ATOM 1540 NZ LYS A 104 30.322 11.718 24.111 1.00 47.28 N ATOM 1541 HA LYS A 104 24.237 10.590 23.139 1.00 0.00 H ATOM 1542 HB2 LYS A 104 26.581 8.942 24.188 1.00 0.00 H ATOM 1543 HB3 LYS A 104 26.630 10.002 22.760 1.00 0.00 H ATOM 1544 HG2 LYS A 104 26.318 11.950 24.116 1.00 0.00 H ATOM 1545 HG3 LYS A 104 26.031 10.956 25.563 1.00 0.00 H ATOM 1546 HD2 LYS A 104 28.224 11.515 25.888 1.00 0.00 H ATOM 1547 HD3 LYS A 104 28.420 10.004 24.970 1.00 0.00 H ATOM 1548 HE2 LYS A 104 28.514 12.815 23.872 1.00 0.00 H ATOM 1549 HE3 LYS A 104 28.616 11.327 22.901 1.00 0.00 H ATOM 1550 HZ1 LYS A 104 30.540 12.147 25.033 1.00 0.00 H ATOM 1551 HZ2 LYS A 104 30.637 10.727 24.106 1.00 0.00 H ATOM 1552 HZ3 LYS A 104 30.812 12.243 23.358 1.00 0.00 H ATOM 1553 H LYS A 104 24.011 8.475 25.235 1.00 0.00 H ATOM 1554 N HIS A 105 24.749 8.713 21.385 1.00 12.73 N ATOM 1555 CA HIS A 105 24.657 7.656 20.420 1.00 13.44 C ATOM 1556 C HIS A 105 25.890 6.798 20.647 1.00 13.88 C ATOM 1557 O HIS A 105 26.956 7.316 20.988 1.00 15.01 O ATOM 1558 CB HIS A 105 24.708 8.230 19.008 1.00 15.23 C ATOM 1559 CG HIS A 105 23.577 9.158 18.727 1.00 21.91 C ATOM 1560 ND1 HIS A 105 22.379 8.731 18.192 1.00 23.29 N ATOM 1561 CD2 HIS A 105 23.404 10.463 19.040 1.00 24.80 C ATOM 1562 CE1 HIS A 105 21.511 9.727 18.201 1.00 23.84 C ATOM 1563 NE2 HIS A 105 22.108 10.790 18.711 1.00 26.64 N ATOM 1564 HA HIS A 105 23.728 7.096 20.526 1.00 0.00 H ATOM 1565 HB2 HIS A 105 25.645 8.773 18.885 1.00 0.00 H ATOM 1566 HB3 HIS A 105 24.670 7.407 18.294 1.00 0.00 H ATOM 1567 HD2 HIS A 105 24.150 11.130 19.471 1.00 0.00 H ATOM 1568 HE1 HIS A 105 20.481 9.680 17.849 1.00 0.00 H ATOM 1569 H HIS A 105 25.075 9.652 21.081 1.00 0.00 H ATOM 1570 N ILE A 106 25.743 5.490 20.519 1.00 12.34 N ATOM 1571 CA ILE A 106 26.887 4.612 20.691 1.00 12.49 C ATOM 1572 C ILE A 106 27.253 4.096 19.293 1.00 11.23 C ATOM 1573 O ILE A 106 26.402 4.086 18.383 1.00 10.90 O ATOM 1574 CB ILE A 106 26.597 3.418 21.664 1.00 10.61 C ATOM 1575 CG1 ILE A 106 25.595 2.423 21.048 1.00 11.95 C ATOM 1576 CG2 ILE A 106 26.112 3.931 23.004 1.00 12.74 C ATOM 1577 CD1 ILE A 106 25.503 1.071 21.781 1.00 11.66 C ATOM 1578 HA ILE A 106 27.708 5.164 21.148 1.00 0.00 H ATOM 1579 HB ILE A 106 27.530 2.878 21.825 1.00 0.00 H ATOM 1580 HG12 ILE A 106 24.607 2.884 21.058 1.00 0.00 H ATOM 1581 HG13 ILE A 106 25.895 2.232 20.018 1.00 0.00 H ATOM 1582 HD11 ILE A 106 26.479 0.586 21.770 1.00 0.00 H ATOM 1583 HD12 ILE A 106 25.191 1.239 22.812 1.00 0.00 H ATOM 1584 HD13 ILE A 106 24.774 0.435 21.278 1.00 0.00 H ATOM 1585 HG21 ILE A 106 26.877 4.570 23.445 1.00 0.00 H ATOM 1586 HG22 ILE A 106 25.195 4.504 22.862 1.00 0.00 H ATOM 1587 HG23 ILE A 106 25.916 3.087 23.665 1.00 0.00 H ATOM 1588 H ILE A 106 24.809 5.091 20.295 1.00 0.00 H ATOM 1589 N ILE A 107 28.540 3.784 19.107 1.00 11.31 N ATOM 1590 CA ILE A 107 29.057 3.228 17.863 1.00 12.88 C ATOM 1591 C ILE A 107 29.765 1.930 18.267 1.00 12.91 C ATOM 1592 O ILE A 107 30.676 1.954 19.099 1.00 11.70 O ATOM 1593 CB ILE A 107 30.067 4.155 17.135 1.00 8.85 C ATOM 1594 CG1 ILE A 107 29.417 5.499 16.770 1.00 11.65 C ATOM 1595 CG2 ILE A 107 30.612 3.449 15.856 1.00 10.47 C ATOM 1596 CD1 ILE A 107 30.417 6.472 16.107 1.00 14.91 C ATOM 1597 HA ILE A 107 28.236 3.085 17.161 1.00 0.00 H ATOM 1598 HB ILE A 107 30.898 4.356 17.811 1.00 0.00 H ATOM 1599 HG12 ILE A 107 28.595 5.315 16.078 1.00 0.00 H ATOM 1600 HG13 ILE A 107 29.029 5.960 17.679 1.00 0.00 H ATOM 1601 HD11 ILE A 107 31.240 6.669 16.794 1.00 0.00 H ATOM 1602 HD12 ILE A 107 30.805 6.024 15.192 1.00 0.00 H ATOM 1603 HD13 ILE A 107 29.909 7.406 15.868 1.00 0.00 H ATOM 1604 HG21 ILE A 107 31.113 2.523 16.139 1.00 0.00 H ATOM 1605 HG22 ILE A 107 29.783 3.224 15.185 1.00 0.00 H ATOM 1606 HG23 ILE A 107 31.320 4.108 15.353 1.00 0.00 H ATOM 1607 H ILE A 107 29.206 3.946 19.890 1.00 0.00 H ATOM 1608 N VAL A 108 29.264 0.806 17.751 1.00 10.56 N ATOM 1609 CA VAL A 108 29.839 -0.508 18.036 1.00 12.13 C ATOM 1610 C VAL A 108 30.236 -1.245 16.730 1.00 12.67 C ATOM 1611 O VAL A 108 29.697 -0.920 15.645 1.00 11.17 O ATOM 1612 CB VAL A 108 28.835 -1.403 18.841 1.00 11.54 C ATOM 1613 CG1 VAL A 108 28.585 -0.808 20.255 1.00 12.91 C ATOM 1614 CG2 VAL A 108 27.504 -1.582 18.047 1.00 12.39 C ATOM 1615 HA VAL A 108 30.732 -0.339 18.637 1.00 0.00 H ATOM 1616 HB VAL A 108 29.275 -2.391 18.974 1.00 0.00 H ATOM 1617 HG11 VAL A 108 29.528 -0.758 20.799 1.00 0.00 H ATOM 1618 HG12 VAL A 108 28.166 0.194 20.157 1.00 0.00 H ATOM 1619 HG13 VAL A 108 27.885 -1.444 20.797 1.00 0.00 H ATOM 1620 HG21 VAL A 108 27.050 -0.606 17.876 1.00 0.00 H ATOM 1621 HG22 VAL A 108 27.715 -2.059 17.090 1.00 0.00 H ATOM 1622 HG23 VAL A 108 26.820 -2.206 18.622 1.00 0.00 H ATOM 1623 H VAL A 108 28.436 0.867 17.125 1.00 0.00 H ATOM 1624 N ALA A 109 31.243 -2.136 16.818 1.00 11.46 N ATOM 1625 CA ALA A 109 31.664 -2.960 15.671 1.00 8.00 C ATOM 1626 C ALA A 109 30.892 -4.258 15.839 1.00 10.66 C ATOM 1627 O ALA A 109 30.792 -4.763 16.963 1.00 12.15 O ATOM 1628 CB ALA A 109 33.130 -3.273 15.748 1.00 9.86 C ATOM 1629 HA ALA A 109 31.480 -2.453 14.724 1.00 0.00 H ATOM 1630 HB1 ALA A 109 33.699 -2.344 15.741 1.00 0.00 H ATOM 1631 HB2 ALA A 109 33.336 -3.820 16.668 1.00 0.00 H ATOM 1632 HB3 ALA A 109 33.416 -3.882 14.890 1.00 0.00 H ATOM 1633 H ALA A 109 31.739 -2.246 17.725 1.00 0.00 H ATOM 1634 N CYS A 110 30.355 -4.812 14.755 1.00 9.13 N ATOM 1635 CA CYS A 110 29.610 -6.060 14.855 1.00 10.74 C ATOM 1636 C CYS A 110 30.182 -7.097 13.942 1.00 12.69 C ATOM 1637 O CYS A 110 30.810 -6.786 12.937 1.00 12.20 O ATOM 1638 CB CYS A 110 28.151 -5.852 14.430 1.00 12.32 C ATOM 1639 SG CYS A 110 27.279 -4.609 15.399 1.00 13.59 S ATOM 1640 HA CYS A 110 29.672 -6.385 15.894 1.00 0.00 H ATOM 1641 HB2 CYS A 110 27.624 -6.801 14.534 1.00 0.00 H ATOM 1642 HB3 CYS A 110 28.138 -5.544 13.385 1.00 0.00 H ATOM 1643 HG CYS A 110 28.239 -4.652 16.389 1.00 0.00 H ATOM 1644 H CYS A 110 30.468 -4.351 13.830 1.00 0.00 H ATOM 1645 N GLU A 111 29.986 -8.343 14.318 1.00 14.91 N ATOM 1646 CA GLU A 111 30.403 -9.454 13.480 1.00 20.39 C ATOM 1647 C GLU A 111 29.856 -10.804 13.922 1.00 14.86 C ATOM 1648 O GLU A 111 29.242 -10.926 14.985 1.00 12.37 O ATOM 1649 CB GLU A 111 31.918 -9.492 13.278 1.00 25.57 C ATOM 1650 CG GLU A 111 32.737 -9.598 14.483 1.00 32.81 C ATOM 1651 CD GLU A 111 34.214 -9.386 14.170 1.00 36.85 C ATOM 1652 OE1 GLU A 111 34.551 -8.707 13.181 1.00 41.33 O ATOM 1653 OE2 GLU A 111 35.048 -9.896 14.926 1.00 39.70 O ATOM 1654 HA GLU A 111 29.948 -9.260 12.509 1.00 0.00 H ATOM 1655 HB2 GLU A 111 32.146 -10.351 12.646 1.00 0.00 H ATOM 1656 HB3 GLU A 111 32.206 -8.576 12.762 1.00 0.00 H ATOM 1657 HG2 GLU A 111 32.414 -8.843 15.200 1.00 0.00 H ATOM 1658 HG3 GLU A 111 32.604 -10.589 14.917 1.00 0.00 H ATOM 1659 H GLU A 111 29.525 -8.535 15.230 1.00 0.00 H ATOM 1660 N GLY A 112 29.895 -11.735 12.978 1.00 14.54 N ATOM 1661 CA GLY A 112 29.480 -13.086 13.266 1.00 14.40 C ATOM 1662 C GLY A 112 28.086 -13.357 12.846 1.00 17.17 C ATOM 1663 O GLY A 112 27.436 -12.550 12.169 1.00 16.32 O ATOM 1664 HA3 GLY A 112 29.560 -13.254 14.340 1.00 0.00 H ATOM 1665 HA2 GLY A 112 30.143 -13.774 12.741 1.00 0.00 H ATOM 1666 H GLY A 112 30.227 -11.489 12.024 1.00 0.00 H ATOM 1667 N ASN A 113 27.649 -14.549 13.215 1.00 23.92 N ATOM 1668 CA ASN A 113 26.287 -14.986 12.935 1.00 29.70 C ATOM 1669 C ASN A 113 25.810 -15.728 14.192 1.00 24.71 C ATOM 1670 O ASN A 113 26.286 -16.821 14.497 1.00 26.77 O ATOM 1671 CB ASN A 113 26.242 -15.891 11.701 1.00 36.11 C ATOM 1672 CG ASN A 113 24.840 -16.377 11.404 1.00 41.28 C ATOM 1673 OD1 ASN A 113 23.848 -15.648 11.592 1.00 43.78 O ATOM 1674 ND2 ASN A 113 24.737 -17.627 10.961 1.00 47.45 N ATOM 1675 HA ASN A 113 25.637 -14.140 12.711 1.00 0.00 H ATOM 1676 HB2 ASN A 113 26.610 -15.332 10.841 1.00 0.00 H ATOM 1677 HB3 ASN A 113 26.885 -16.754 11.874 1.00 0.00 H ATOM 1678 HD22 ASN A 113 25.593 -18.200 10.818 1.00 0.00 H ATOM 1679 HD21 ASN A 113 23.801 -18.031 10.757 1.00 0.00 H ATOM 1680 H ASN A 113 28.294 -15.191 13.718 1.00 0.00 H ATOM 1681 N PRO A 114 24.849 -15.158 14.915 1.00 23.34 N ATOM 1682 CA PRO A 114 24.199 -13.894 14.617 1.00 22.39 C ATOM 1683 C PRO A 114 25.185 -12.721 14.698 1.00 17.04 C ATOM 1684 O PRO A 114 26.258 -12.830 15.284 1.00 17.20 O ATOM 1685 CB PRO A 114 23.107 -13.839 15.674 1.00 22.65 C ATOM 1686 CG PRO A 114 23.801 -14.356 16.850 1.00 27.81 C ATOM 1687 CD PRO A 114 24.566 -15.557 16.305 1.00 25.71 C ATOM 1688 HA PRO A 114 23.804 -13.820 13.604 1.00 0.00 H ATOM 1689 HD3 PRO A 114 25.488 -15.722 16.862 1.00 0.00 H ATOM 1690 HD2 PRO A 114 23.956 -16.460 16.339 1.00 0.00 H ATOM 1691 HG3 PRO A 114 23.092 -14.661 17.620 1.00 0.00 H ATOM 1692 HG2 PRO A 114 24.483 -13.611 17.260 1.00 0.00 H ATOM 1693 HB2 PRO A 114 22.761 -12.818 15.834 1.00 0.00 H ATOM 1694 HB3 PRO A 114 22.260 -14.470 15.403 1.00 0.00 H ATOM 1695 N TYR A 115 24.865 -11.682 13.943 1.00 15.05 N ATOM 1696 CA TYR A 115 25.659 -10.466 13.846 1.00 10.41 C ATOM 1697 C TYR A 115 25.416 -9.688 15.129 1.00 14.26 C ATOM 1698 O TYR A 115 24.347 -9.093 15.319 1.00 17.27 O ATOM 1699 CB TYR A 115 25.177 -9.709 12.623 1.00 12.83 C ATOM 1700 CG TYR A 115 26.142 -8.730 12.058 1.00 12.50 C ATOM 1701 CD1 TYR A 115 27.448 -9.114 11.734 1.00 13.07 C ATOM 1702 CD2 TYR A 115 25.734 -7.428 11.772 1.00 14.60 C ATOM 1703 CE1 TYR A 115 28.323 -8.233 11.130 1.00 15.00 C ATOM 1704 CE2 TYR A 115 26.586 -6.541 11.163 1.00 13.77 C ATOM 1705 CZ TYR A 115 27.881 -6.951 10.844 1.00 15.94 C ATOM 1706 OH TYR A 115 28.701 -6.082 10.180 1.00 15.27 O ATOM 1707 HA TYR A 115 26.728 -10.649 13.737 1.00 0.00 H ATOM 1708 HB3 TYR A 115 24.271 -9.169 12.897 1.00 0.00 H ATOM 1709 HB2 TYR A 115 24.943 -10.438 11.847 1.00 0.00 H ATOM 1710 HD2 TYR A 115 24.725 -7.110 12.035 1.00 0.00 H ATOM 1711 HE2 TYR A 115 26.255 -5.529 10.931 1.00 0.00 H ATOM 1712 HE1 TYR A 115 29.340 -8.539 10.883 1.00 0.00 H ATOM 1713 HD1 TYR A 115 27.781 -10.127 11.962 1.00 0.00 H ATOM 1714 HH TYR A 115 28.292 -5.843 9.311 1.00 0.00 H ATOM 1715 H TYR A 115 23.990 -11.738 13.383 1.00 0.00 H ATOM 1716 N VAL A 116 26.390 -9.700 16.022 1.00 12.62 N ATOM 1717 CA VAL A 116 26.218 -9.039 17.315 1.00 11.68 C ATOM 1718 C VAL A 116 27.401 -8.121 17.653 1.00 14.36 C ATOM 1719 O VAL A 116 28.498 -8.216 17.050 1.00 11.95 O ATOM 1720 CB VAL A 116 26.053 -10.123 18.456 1.00 14.87 C ATOM 1721 CG1 VAL A 116 24.877 -11.062 18.144 1.00 18.82 C ATOM 1722 CG2 VAL A 116 27.326 -10.926 18.616 1.00 14.94 C ATOM 1723 HA VAL A 116 25.321 -8.423 17.250 1.00 0.00 H ATOM 1724 HB VAL A 116 25.847 -9.602 19.391 1.00 0.00 H ATOM 1725 HG11 VAL A 116 23.958 -10.480 18.073 1.00 0.00 H ATOM 1726 HG12 VAL A 116 25.061 -11.570 17.197 1.00 0.00 H ATOM 1727 HG13 VAL A 116 24.781 -11.799 18.941 1.00 0.00 H ATOM 1728 HG21 VAL A 116 27.555 -11.432 17.678 1.00 0.00 H ATOM 1729 HG22 VAL A 116 28.145 -10.257 18.879 1.00 0.00 H ATOM 1730 HG23 VAL A 116 27.191 -11.665 19.405 1.00 0.00 H ATOM 1731 H VAL A 116 27.285 -10.183 15.804 1.00 0.00 H ATOM 1732 N PRO A 117 27.216 -7.240 18.649 1.00 13.71 N ATOM 1733 CA PRO A 117 28.327 -6.351 18.995 1.00 13.13 C ATOM 1734 C PRO A 117 29.527 -7.099 19.599 1.00 12.49 C ATOM 1735 O PRO A 117 29.381 -8.009 20.418 1.00 15.89 O ATOM 1736 CB PRO A 117 27.691 -5.382 20.010 1.00 14.79 C ATOM 1737 CG PRO A 117 26.190 -5.558 19.829 1.00 16.12 C ATOM 1738 CD PRO A 117 26.042 -7.006 19.518 1.00 16.44 C ATOM 1739 HA PRO A 117 28.746 -5.853 18.121 1.00 0.00 H ATOM 1740 HD3 PRO A 117 26.087 -7.615 20.421 1.00 0.00 H ATOM 1741 HD2 PRO A 117 25.109 -7.208 18.991 1.00 0.00 H ATOM 1742 HG3 PRO A 117 25.822 -4.944 19.007 1.00 0.00 H ATOM 1743 HG2 PRO A 117 25.655 -5.299 20.742 1.00 0.00 H ATOM 1744 HB2 PRO A 117 27.988 -5.641 21.026 1.00 0.00 H ATOM 1745 HB3 PRO A 117 27.986 -4.354 19.797 1.00 0.00 H ATOM 1746 N VAL A 118 30.720 -6.710 19.191 1.00 15.16 N ATOM 1747 CA VAL A 118 31.952 -7.322 19.704 1.00 14.34 C ATOM 1748 C VAL A 118 32.939 -6.254 20.219 1.00 14.68 C ATOM 1749 O VAL A 118 33.851 -6.566 20.941 1.00 16.18 O ATOM 1750 CB VAL A 118 32.637 -8.260 18.650 1.00 10.25 C ATOM 1751 CG1 VAL A 118 31.688 -9.354 18.281 1.00 13.89 C ATOM 1752 CG2 VAL A 118 33.047 -7.485 17.397 1.00 13.80 C ATOM 1753 HA VAL A 118 31.661 -7.949 20.547 1.00 0.00 H ATOM 1754 HB VAL A 118 33.540 -8.679 19.093 1.00 0.00 H ATOM 1755 HG11 VAL A 118 31.432 -9.927 19.172 1.00 0.00 H ATOM 1756 HG12 VAL A 118 30.784 -8.920 17.854 1.00 0.00 H ATOM 1757 HG13 VAL A 118 32.159 -10.010 17.548 1.00 0.00 H ATOM 1758 HG21 VAL A 118 32.163 -7.039 16.941 1.00 0.00 H ATOM 1759 HG22 VAL A 118 33.751 -6.699 17.671 1.00 0.00 H ATOM 1760 HG23 VAL A 118 33.518 -8.166 16.688 1.00 0.00 H ATOM 1761 H VAL A 118 30.790 -5.948 18.486 1.00 0.00 H ATOM 1762 N HIS A 119 32.738 -4.987 19.869 1.00 14.78 N ATOM 1763 CA HIS A 119 33.643 -3.935 20.316 1.00 14.46 C ATOM 1764 C HIS A 119 32.930 -2.594 20.411 1.00 14.22 C ATOM 1765 O HIS A 119 32.056 -2.309 19.602 1.00 15.10 O ATOM 1766 CB HIS A 119 34.864 -3.890 19.355 1.00 14.88 C ATOM 1767 CG HIS A 119 35.426 -2.513 19.087 1.00 20.96 C ATOM 1768 ND1 HIS A 119 36.354 -1.900 19.908 1.00 21.83 N ATOM 1769 CD2 HIS A 119 35.258 -1.674 18.033 1.00 20.16 C ATOM 1770 CE1 HIS A 119 36.728 -0.748 19.374 1.00 21.52 C ATOM 1771 NE2 HIS A 119 36.082 -0.595 18.234 1.00 20.36 N ATOM 1772 HA HIS A 119 33.998 -4.155 21.323 1.00 0.00 H ATOM 1773 HB2 HIS A 119 35.657 -4.499 19.789 1.00 0.00 H ATOM 1774 HB3 HIS A 119 34.558 -4.320 18.401 1.00 0.00 H ATOM 1775 HD2 HIS A 119 34.592 -1.829 17.184 1.00 0.00 H ATOM 1776 HE1 HIS A 119 37.445 -0.047 19.802 1.00 0.00 H ATOM 1777 H HIS A 119 31.925 -4.743 19.269 1.00 0.00 H ATOM 1778 N PHE A 120 33.204 -1.842 21.470 1.00 11.18 N ATOM 1779 CA PHE A 120 32.651 -0.491 21.628 1.00 11.34 C ATOM 1780 C PHE A 120 33.653 0.517 20.983 1.00 12.40 C ATOM 1781 O PHE A 120 34.792 0.664 21.438 1.00 12.75 O ATOM 1782 CB PHE A 120 32.481 -0.165 23.106 1.00 10.59 C ATOM 1783 CG PHE A 120 31.591 0.997 23.344 1.00 10.08 C ATOM 1784 CD1 PHE A 120 30.234 0.806 23.600 1.00 15.81 C ATOM 1785 CD2 PHE A 120 32.095 2.299 23.302 1.00 14.27 C ATOM 1786 CE1 PHE A 120 29.393 1.911 23.812 1.00 15.18 C ATOM 1787 CE2 PHE A 120 31.269 3.403 23.509 1.00 14.51 C ATOM 1788 CZ PHE A 120 29.923 3.214 23.767 1.00 12.67 C ATOM 1789 HA PHE A 120 31.676 -0.426 21.145 1.00 0.00 H ATOM 1790 HB2 PHE A 120 32.058 -1.035 23.608 1.00 0.00 H ATOM 1791 HB3 PHE A 120 33.461 0.056 23.528 1.00 0.00 H ATOM 1792 HD2 PHE A 120 33.155 2.455 23.103 1.00 0.00 H ATOM 1793 HE2 PHE A 120 31.682 4.411 23.468 1.00 0.00 H ATOM 1794 HZ PHE A 120 29.274 4.073 23.935 1.00 0.00 H ATOM 1795 HE1 PHE A 120 28.332 1.760 24.011 1.00 0.00 H ATOM 1796 HD1 PHE A 120 29.824 -0.204 23.636 1.00 0.00 H ATOM 1797 H PHE A 120 33.829 -2.221 22.210 1.00 0.00 H ATOM 1798 N ASP A 121 33.235 1.217 19.933 1.00 8.44 N ATOM 1799 CA ASP A 121 34.160 2.115 19.261 1.00 8.31 C ATOM 1800 C ASP A 121 34.144 3.547 19.735 1.00 13.47 C ATOM 1801 O ASP A 121 35.196 4.136 19.919 1.00 14.19 O ATOM 1802 CB ASP A 121 33.884 2.075 17.743 1.00 9.76 C ATOM 1803 CG ASP A 121 35.124 2.394 16.910 1.00 14.53 C ATOM 1804 OD1 ASP A 121 36.210 1.829 17.160 1.00 16.20 O ATOM 1805 OD2 ASP A 121 35.021 3.217 15.992 1.00 15.09 O ATOM 1806 HA ASP A 121 35.155 1.747 19.511 1.00 0.00 H ATOM 1807 HB2 ASP A 121 33.533 1.078 17.478 1.00 0.00 H ATOM 1808 HB3 ASP A 121 33.109 2.805 17.510 1.00 0.00 H ATOM 1809 H ASP A 121 32.256 1.123 19.596 1.00 0.00 H ATOM 1810 N ALA A 122 32.948 4.105 19.946 1.00 14.23 N ATOM 1811 CA ALA A 122 32.808 5.513 20.324 1.00 14.36 C ATOM 1812 C ALA A 122 31.396 5.845 20.764 1.00 13.28 C ATOM 1813 O ALA A 122 30.480 5.067 20.568 1.00 12.74 O ATOM 1814 CB ALA A 122 33.143 6.375 19.088 1.00 10.94 C ATOM 1815 HA ALA A 122 33.480 5.713 21.159 1.00 0.00 H ATOM 1816 HB1 ALA A 122 34.165 6.170 18.770 1.00 0.00 H ATOM 1817 HB2 ALA A 122 32.454 6.132 18.279 1.00 0.00 H ATOM 1818 HB3 ALA A 122 33.046 7.430 19.345 1.00 0.00 H ATOM 1819 H ALA A 122 32.093 3.523 19.839 1.00 0.00 H ATOM 1820 N SER A 123 31.233 7.010 21.369 1.00 17.67 N ATOM 1821 CA SER A 123 29.919 7.503 21.767 1.00 14.98 C ATOM 1822 C SER A 123 29.944 8.913 21.207 1.00 15.94 C ATOM 1823 O SER A 123 30.994 9.556 21.233 1.00 18.40 O ATOM 1824 CB SER A 123 29.734 7.459 23.280 1.00 13.36 C ATOM 1825 OG SER A 123 30.646 8.298 23.941 1.00 19.51 O ATOM 1826 HA SER A 123 29.081 6.911 21.398 1.00 0.00 H ATOM 1827 HB2 SER A 123 29.882 6.435 23.624 1.00 0.00 H ATOM 1828 HB3 SER A 123 28.720 7.779 23.521 1.00 0.00 H ATOM 1829 HG SER A 123 30.514 9.231 23.638 1.00 0.00 H ATOM 1830 H SER A 123 32.070 7.594 21.568 1.00 0.00 H ATOM 1831 N VAL A 124 28.840 9.355 20.610 1.00 15.54 N ATOM 1832 CA VAL A 124 28.760 10.677 19.994 1.00 19.67 C ATOM 1833 C VAL A 124 27.414 11.349 20.214 1.00 21.53 C ATOM 1834 O VAL A 124 26.418 10.674 20.516 1.00 23.05 O ATOM 1835 CB VAL A 124 28.952 10.610 18.468 1.00 20.29 C ATOM 1836 CG1 VAL A 124 30.329 10.090 18.114 1.00 27.10 C ATOM 1837 CG2 VAL A 124 27.897 9.725 17.866 1.00 24.58 C ATOM 1838 HA VAL A 124 29.555 11.248 20.473 1.00 0.00 H ATOM 1839 OXT VAL A 124 27.368 12.572 20.029 1.00 28.15 O ATOM 1840 HB VAL A 124 28.858 11.618 18.063 1.00 0.00 H ATOM 1841 HG11 VAL A 124 31.085 10.754 18.532 1.00 0.00 H ATOM 1842 HG12 VAL A 124 30.455 9.089 18.526 1.00 0.00 H ATOM 1843 HG13 VAL A 124 30.435 10.054 17.030 1.00 0.00 H ATOM 1844 HG21 VAL A 124 27.982 8.723 18.287 1.00 0.00 H ATOM 1845 HG22 VAL A 124 26.911 10.133 18.090 1.00 0.00 H ATOM 1846 HG23 VAL A 124 28.036 9.680 16.786 1.00 0.00 H ATOM 1847 H VAL A 124 28.004 8.737 20.581 1.00 0.00 H TER 1848 VAL A 124 HETATM 1849 O HOH 1 19.241 0.781 9.324 1.00 20.59 O HETATM 1850 O HOH 2 18.130 -0.295 19.348 1.00 20.72 O HETATM 1851 O HOH 3 23.245 2.470 7.336 1.00 45.10 O HETATM 1852 O HOH 4 27.428 -8.836 22.364 1.00 21.65 O HETATM 1853 O HOH 5 39.832 -8.262 30.553 1.00 74.58 O HETATM 1854 O HOH 6 23.633 -6.302 32.268 1.00 24.29 O HETATM 1855 O HOH 7 39.391 -6.124 38.140 1.00 38.93 O HETATM 1856 O HOH 8 16.858 -0.498 26.624 1.00 19.92 O HETATM 1857 O HOH 9 17.685 -7.090 18.907 1.00 30.60 O HETATM 1858 O HOH 10 23.013 -1.443 8.390 1.00 41.35 O HETATM 1859 O HOH 11 32.735 7.276 11.523 1.00 23.25 O HETATM 1860 O HOH 12 33.743 7.938 15.462 1.00 22.67 O HETATM 1861 O HOH 13 33.449 5.153 14.555 1.00 17.36 O HETATM 1862 O HOH 14 26.088 -4.266 7.244 1.00 45.31 O HETATM 1863 O HOH 15 18.400 3.401 18.009 1.00 19.15 O HETATM 1864 O HOH 16 39.778 11.326 34.715 1.00 62.41 O HETATM 1865 O HOH 17 31.531 -13.825 19.484 1.00 29.18 O HETATM 1866 O HOH 18 22.673 -7.003 29.187 1.00 51.21 O HETATM 1867 O HOH 19 40.583 1.666 27.031 1.00 24.30 O HETATM 1868 O HOH 20 34.466 9.942 32.748 1.00 26.34 O HETATM 1869 O HOH 21 34.066 8.410 21.986 1.00 52.30 O HETATM 1870 O HOH 22 38.072 0.907 15.442 1.00 20.09 O HETATM 1871 O HOH 23 25.482 -10.547 22.479 1.00 22.46 O HETATM 1872 O HOH 24 25.774 -12.688 9.931 1.00 26.45 O HETATM 1873 O HOH 25 27.786 -14.539 16.890 1.00 34.76 O HETATM 1874 O HOH 26 34.347 6.021 39.890 1.00 30.44 O HETATM 1875 O HOH 27 52.094 0.187 38.944 1.00 26.84 O HETATM 1876 O HOH 28 32.193 9.033 46.771 1.00 47.93 O HETATM 1877 O HOH 29 36.579 -1.732 15.302 1.00 25.28 O HETATM 1878 O HOH 30 29.436 -12.313 29.328 1.00 29.69 O HETATM 1879 O HOH 31 30.165 -12.420 17.174 1.00 33.73 O HETATM 1880 O HOH 32 34.787 -8.764 22.415 1.00 36.30 O HETATM 1881 O HOH 33 33.857 -5.322 23.848 1.00 25.15 O HETATM 1882 O HOH 34 23.251 -4.851 9.345 1.00 28.47 O HETATM 1883 O HOH 35 42.088 -0.492 26.014 1.00 39.32 O HETATM 1884 O HOH 36 17.591 -5.099 14.434 1.00 30.48 O HETATM 1885 O HOH 37 48.281 2.494 36.445 1.00 30.16 O HETATM 1886 N1 C A 2 36.216 2.125 24.718 1.00 -0.15 N HETATM 1887 C2 C A 2 35.012 2.333 25.403 1.00 0.35 C HETATM 1888 N3 C A 2 34.366 3.525 25.270 1.00 -0.19 N HETATM 1889 C4 C A 2 34.869 4.471 24.465 1.00 0.09 C HETATM 1890 C5 C A 2 36.082 4.262 23.720 1.00 0.00 C HETATM 1891 C6 C A 2 36.715 3.085 23.876 1.00 0.07 C HETATM 1892 H3 C A 2 37.635 2.893 23.326 1.00 0.13 H HETATM 1893 H2 C A 2 36.474 5.029 23.054 1.00 0.03 H HETATM 1894 N4 C A 2 34.218 5.624 24.381 1.00 -0.43 N HETATM 1895 H4 C A 2 34.568 6.358 23.785 1.00 0.03 H HETATM 1896 H1 C A 2 33.518 3.694 25.772 1.00 0.24 H HETATM 1897 O2 C A 2 34.562 1.414 26.115 1.00 -0.38 O HETATM 1898 C1' C A 2 36.938 0.865 24.936 1.00 0.22 C HETATM 1899 C2' C A 2 36.824 -0.136 23.777 1.00 0.17 C HETATM 1900 O2' C A 2 36.781 -1.388 24.462 1.00 -0.26 O HETATM 1901 P C A 2 36.589 -2.795 23.653 1.00 0.20 P HETATM 1902 O1P C A 2 35.102 -2.851 23.444 1.00 -0.55 O HETATM 1903 O2P C A 2 37.290 -3.897 24.379 1.00 -0.55 O HETATM 1904 O3P C A 2 37.264 -2.633 22.223 1.00 -0.55 O HETATM 1905 C3' C A 2 38.061 0.243 22.970 1.00 0.12 C HETATM 1906 C4' C A 2 39.081 0.472 24.068 1.00 0.11 C HETATM 1907 O4' C A 2 38.316 1.171 25.091 1.00 -0.34 O HETATM 1908 C5' C A 2 40.267 1.294 23.654 1.00 0.07 C HETATM 1909 O5' C A 2 39.832 2.405 22.851 1.00 -0.39 O HETATM 1910 H12 C A 2 40.586 2.921 22.592 1.00 0.21 H HETATM 1911 H10 C A 2 40.958 0.669 23.070 1.00 0.06 H HETATM 1912 H11 C A 2 40.782 1.670 24.550 1.00 0.06 H HETATM 1913 H8 C A 2 39.444 -0.495 24.447 1.00 0.06 H HETATM 1914 O3' C A 2 38.499 -0.738 22.065 1.00 -0.39 O HETATM 1915 H9 C A 2 37.842 -0.860 21.390 1.00 0.21 H HETATM 1916 H7 C A 2 37.876 1.171 22.408 1.00 0.07 H HETATM 1917 H6 C A 2 35.918 -0.013 23.166 1.00 0.07 H HETATM 1918 H5 C A 2 36.551 0.393 25.851 1.00 0.10 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 354 353 358 1240 CONECT 592 591 596 1404 CONECT 861 860 865 1639 CONECT 962 961 966 1061 CONECT 1061 962 1060 1065 CONECT 1240 354 1239 1244 CONECT 1404 592 1403 1408 CONECT 1639 861 1638 1643 CONECT 1886 1887 1891 1898 CONECT 1887 1886 1888 1897 CONECT 1888 1887 1889 1896 CONECT 1889 1888 1890 1894 CONECT 1890 1889 1891 1893 CONECT 1891 1886 1890 1892 CONECT 1892 1891 CONECT 1893 1890 CONECT 1894 1889 1895 CONECT 1895 1894 CONECT 1896 1888 CONECT 1897 1887 CONECT 1898 1886 1899 1907 1918 CONECT 1899 1898 1900 1905 1917 CONECT 1900 1899 1901 CONECT 1901 1900 1902 1903 1904 CONECT 1902 1901 CONECT 1903 1901 CONECT 1904 1901 CONECT 1905 1899 1906 1914 1916 CONECT 1906 1905 1907 1908 1913 CONECT 1907 1898 1906 CONECT 1908 1906 1909 1911 1912 CONECT 1909 1908 1910 CONECT 1910 1909 CONECT 1911 1908 CONECT 1912 1908 CONECT 1913 1906 CONECT 1914 1905 1915 CONECT 1915 1914 CONECT 1916 1905 CONECT 1917 1899 CONECT 1918 1898 MASTER 0 0 0 0 0 0 0 0 1917 1 45 10 END
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RCSB PDB
PDBbind
124aa, >1JN4_1|Chains... at 99%
1o0f
RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0h
RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
1w4o
RCSB PDB
PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2w5i
RCSB PDB
PDBbind
124aa, >2W5I_1|Chains... at 99%
2xog
RCSB PDB
PDBbind
124aa, >2XOG_1|Chains... at 99%
2xoi
RCSB PDB
PDBbind
124aa, >2XOI_1|Chains... at 99%
3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
RCSB PDB
PDBbind
124aa, >3D6Q_1|Chains... at 99%
3d7b
RCSB PDB
PDBbind
124aa, >3D7B_1|Chains... at 99%
3d8y
RCSB PDB
PDBbind
124aa, >3D8Y_1|Chains... at 99%
3d8z
RCSB PDB
PDBbind
124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
PDBbind
124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
PDBbind
124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
PDBbind
124aa, >3LXO_1|Chain... at 99%
4g8v
RCSB PDB
PDBbind
124aa, >4G8V_1|Chains... at 99%
4g8y
RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
4g90
RCSB PDB
PDBbind
124aa, >4G90_1|Chains... at 99%
4peq
RCSB PDB
PDBbind
124aa, >4PEQ_1|Chains... at 99%
4rsk
RCSB PDB
PDBbind
124aa, >4RSK_1|Chain... at 96%
4wyp
RCSB PDB
PDBbind
125aa, >4WYP_1|Chains... *
4wyz
RCSB PDB
PDBbind
125aa, >4WYZ_1|Chains... at 100%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1jvu
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Bos taurus ribonuclease A
Ligand Name
C2P
EC.Number
E.C.3.1.27.5
Resolution
1.78(Å)
Affinity (Kd/Ki/IC50)
Ki=7uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Bioorg. Med. Chem., Vol.17, pp.4921-4927
Ligand Properties
Formula
C
9
H
1
5
N
3
O
8
P
Molecular Weight
324.204
Exact Mass
324.060
No. of atoms
36
No. of bonds
37
Polar Surface Area
194.84
LOGP Value
-3.47 (
Computed with XLOGP3
)
-2.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(O)(O)O)n1ccc(=N)[nH]c1=O
InChI String
InChI=1S/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14,16-18,21H,3H2,(H2,10,11,15)/t4-,6-,7-,8-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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