Browse entries in the PDBbind-CN Database
HEADER 1QHC_COMPLEX COMPND 1QHC_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 PUA A 196 71 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N LYS A 1 38.244 -19.959 26.738 1.00 55.80 N ATOM 2 CA LYS A 1 38.238 -19.180 25.462 1.00 55.43 C ATOM 3 C LYS A 1 36.968 -18.325 25.315 1.00 54.08 C ATOM 4 O LYS A 1 36.007 -18.724 24.642 1.00 55.71 O ATOM 5 CB LYS A 1 38.369 -20.134 24.263 1.00 56.79 C ATOM 6 CG LYS A 1 37.431 -21.355 24.294 1.00 57.82 C ATOM 7 CD LYS A 1 36.939 -21.731 22.886 1.00 58.78 C ATOM 8 CE LYS A 1 37.159 -23.217 22.567 1.00 59.73 C ATOM 9 NZ LYS A 1 36.659 -23.596 21.199 1.00 59.79 N ATOM 10 HA LYS A 1 39.091 -18.502 25.487 1.00 0.00 H ATOM 11 HB2 LYS A 1 38.157 -19.568 23.356 1.00 0.00 H ATOM 12 HB3 LYS A 1 39.396 -20.498 24.231 1.00 0.00 H ATOM 13 HG2 LYS A 1 37.968 -22.203 24.719 1.00 0.00 H ATOM 14 HG3 LYS A 1 36.569 -21.123 24.919 1.00 0.00 H ATOM 15 HD2 LYS A 1 35.874 -21.512 22.817 1.00 0.00 H ATOM 16 HD3 LYS A 1 37.480 -21.132 22.154 1.00 0.00 H ATOM 17 HE2 LYS A 1 36.632 -23.816 23.310 1.00 0.00 H ATOM 18 HE3 LYS A 1 38.226 -23.431 22.621 1.00 0.00 H ATOM 19 HZ1 LYS A 1 35.639 -23.404 21.139 1.00 0.00 H ATOM 20 HZ2 LYS A 1 37.162 -23.037 20.480 1.00 0.00 H ATOM 21 HZ3 LYS A 1 36.832 -24.608 21.036 1.00 0.00 H ATOM 22 HN3 LYS A 1 37.420 -20.594 26.759 1.00 0.00 H ATOM 23 HN2 LYS A 1 38.198 -19.303 27.544 1.00 0.00 H ATOM 24 HN1 LYS A 1 39.117 -20.521 26.796 1.00 0.00 H ATOM 25 N GLU A 2 36.973 -17.150 25.948 1.00 50.49 N ATOM 26 CA GLU A 2 35.838 -16.209 25.905 1.00 44.79 C ATOM 27 C GLU A 2 35.636 -15.702 24.473 1.00 41.40 C ATOM 28 O GLU A 2 36.606 -15.366 23.784 1.00 42.24 O ATOM 29 CB GLU A 2 36.125 -15.021 26.852 1.00 43.14 C ATOM 30 CG GLU A 2 35.024 -13.967 27.008 1.00 36.90 C ATOM 31 CD GLU A 2 35.416 -12.846 27.984 1.00 35.18 C ATOM 32 OE1 GLU A 2 36.494 -12.240 27.820 1.00 35.33 O ATOM 33 OE2 GLU A 2 34.647 -12.564 28.922 1.00 34.90 O ATOM 34 HA GLU A 2 34.930 -16.718 26.228 1.00 0.00 H ATOM 35 HB2 GLU A 2 36.329 -15.432 27.841 1.00 0.00 H ATOM 36 HB3 GLU A 2 37.015 -14.513 26.481 1.00 0.00 H ATOM 37 HG2 GLU A 2 34.821 -13.526 26.032 1.00 0.00 H ATOM 38 HG3 GLU A 2 34.123 -14.455 27.379 1.00 0.00 H ATOM 39 H GLU A 2 37.816 -16.886 26.497 1.00 0.00 H ATOM 40 N THR A 3 34.389 -15.660 24.015 1.00 38.21 N ATOM 41 CA THR A 3 34.114 -15.160 22.667 1.00 35.10 C ATOM 42 C THR A 3 34.180 -13.648 22.706 1.00 32.81 C ATOM 43 O THR A 3 33.970 -13.041 23.760 1.00 30.47 O ATOM 44 CB THR A 3 32.711 -15.524 22.189 1.00 34.98 C ATOM 45 OG1 THR A 3 31.751 -14.901 23.041 1.00 33.25 O ATOM 46 CG2 THR A 3 32.507 -17.016 22.224 1.00 37.99 C ATOM 47 HA THR A 3 34.846 -15.605 21.993 1.00 0.00 H ATOM 48 HB THR A 3 32.589 -15.177 21.163 1.00 0.00 H ATOM 49 HG1 THR A 3 31.870 -13.919 23.008 1.00 0.00 H ATOM 50 HG23 THR A 3 33.238 -17.497 21.574 1.00 0.00 H ATOM 51 HG21 THR A 3 32.635 -17.375 23.245 1.00 0.00 H ATOM 52 HG22 THR A 3 31.501 -17.252 21.878 1.00 0.00 H ATOM 53 H THR A 3 33.605 -15.984 24.617 1.00 0.00 H ATOM 54 N ALA A 4 34.461 -13.040 21.559 1.00 32.65 N ATOM 55 CA ALA A 4 34.540 -11.580 21.476 1.00 31.95 C ATOM 56 C ALA A 4 33.212 -10.949 21.910 1.00 29.90 C ATOM 57 O ALA A 4 33.192 -9.907 22.570 1.00 29.83 O ATOM 58 CB ALA A 4 34.895 -11.152 20.055 1.00 30.84 C ATOM 59 HA ALA A 4 35.323 -11.233 22.150 1.00 0.00 H ATOM 60 HB1 ALA A 4 35.859 -11.579 19.779 1.00 0.00 H ATOM 61 HB2 ALA A 4 34.128 -11.508 19.367 1.00 0.00 H ATOM 62 HB3 ALA A 4 34.950 -10.064 20.008 1.00 0.00 H ATOM 63 H ALA A 4 34.628 -13.610 20.705 1.00 0.00 H ATOM 64 N ALA A 5 32.105 -11.596 21.558 1.00 27.01 N ATOM 65 CA ALA A 5 30.804 -11.080 21.927 1.00 25.19 C ATOM 66 C ALA A 5 30.618 -11.101 23.449 1.00 26.09 C ATOM 67 O ALA A 5 30.088 -10.154 24.039 1.00 25.82 O ATOM 68 CB ALA A 5 29.720 -11.892 21.247 1.00 24.71 C ATOM 69 HA ALA A 5 30.733 -10.044 21.597 1.00 0.00 H ATOM 70 HB1 ALA A 5 29.842 -11.825 20.166 1.00 0.00 H ATOM 71 HB2 ALA A 5 29.798 -12.933 21.559 1.00 0.00 H ATOM 72 HB3 ALA A 5 28.743 -11.499 21.528 1.00 0.00 H ATOM 73 H ALA A 5 32.174 -12.479 21.014 1.00 0.00 H ATOM 74 N ALA A 6 31.053 -12.189 24.080 1.00 25.23 N ATOM 75 CA ALA A 6 30.936 -12.336 25.519 1.00 23.66 C ATOM 76 C ALA A 6 31.850 -11.320 26.161 1.00 23.26 C ATOM 77 O ALA A 6 31.528 -10.720 27.188 1.00 24.85 O ATOM 78 CB ALA A 6 31.357 -13.727 25.928 1.00 25.39 C ATOM 79 HA ALA A 6 29.905 -12.179 25.835 1.00 0.00 H ATOM 80 HB1 ALA A 6 30.715 -14.459 25.437 1.00 0.00 H ATOM 81 HB2 ALA A 6 32.393 -13.894 25.631 1.00 0.00 H ATOM 82 HB3 ALA A 6 31.266 -13.829 27.009 1.00 0.00 H ATOM 83 H ALA A 6 31.489 -12.955 23.527 1.00 0.00 H ATOM 84 N LYS A 7 33.005 -11.136 25.551 1.00 22.21 N ATOM 85 CA LYS A 7 33.957 -10.194 26.083 1.00 23.88 C ATOM 86 C LYS A 7 33.330 -8.827 26.000 1.00 23.67 C ATOM 87 O LYS A 7 33.501 -8.013 26.903 1.00 24.57 O ATOM 88 CB LYS A 7 35.256 -10.220 25.281 1.00 24.63 C ATOM 89 CG LYS A 7 36.263 -9.179 25.717 1.00 26.07 C ATOM 90 CD LYS A 7 37.654 -9.563 25.267 1.00 28.91 C ATOM 91 CE LYS A 7 37.857 -9.248 23.805 1.00 32.84 C ATOM 92 NZ LYS A 7 39.059 -8.395 23.634 1.00 38.83 N ATOM 93 HA LYS A 7 34.202 -10.451 27.113 1.00 0.00 H ATOM 94 HB2 LYS A 7 35.709 -11.205 25.392 1.00 0.00 H ATOM 95 HB3 LYS A 7 35.016 -10.048 24.232 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.997 -8.217 25.279 1.00 0.00 H ATOM 97 HG3 LYS A 7 36.247 -9.098 26.804 1.00 0.00 H ATOM 98 HD2 LYS A 7 38.385 -9.009 25.856 1.00 0.00 H ATOM 99 HD3 LYS A 7 37.797 -10.632 25.425 1.00 0.00 H ATOM 100 HE2 LYS A 7 36.982 -8.721 23.424 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.991 -10.177 23.250 1.00 0.00 H ATOM 102 HZ1 LYS A 7 38.931 -7.508 24.162 1.00 0.00 H ATOM 103 HZ2 LYS A 7 39.894 -8.898 23.996 1.00 0.00 H ATOM 104 HZ3 LYS A 7 39.191 -8.183 22.624 1.00 0.00 H ATOM 105 H LYS A 7 33.228 -11.670 24.687 1.00 0.00 H ATOM 106 N PHE A 8 32.581 -8.576 24.931 1.00 22.57 N ATOM 107 CA PHE A 8 31.952 -7.267 24.771 1.00 20.49 C ATOM 108 C PHE A 8 30.948 -6.999 25.888 1.00 20.22 C ATOM 109 O PHE A 8 30.919 -5.909 26.463 1.00 19.27 O ATOM 110 CB PHE A 8 31.267 -7.146 23.393 1.00 21.16 C ATOM 111 CG PHE A 8 30.585 -5.820 23.173 1.00 18.81 C ATOM 112 CD1 PHE A 8 29.269 -5.621 23.605 1.00 19.80 C ATOM 113 CD2 PHE A 8 31.285 -4.744 22.623 1.00 20.05 C ATOM 114 CE1 PHE A 8 28.655 -4.371 23.503 1.00 18.25 C ATOM 115 CE2 PHE A 8 30.688 -3.492 22.515 1.00 20.13 C ATOM 116 CZ PHE A 8 29.362 -3.306 22.960 1.00 18.56 C ATOM 117 HA PHE A 8 32.739 -6.515 24.831 1.00 0.00 H ATOM 118 HB2 PHE A 8 32.023 -7.278 22.619 1.00 0.00 H ATOM 119 HB3 PHE A 8 30.521 -7.936 23.308 1.00 0.00 H ATOM 120 HD2 PHE A 8 32.308 -4.886 22.275 1.00 0.00 H ATOM 121 HE2 PHE A 8 31.243 -2.657 22.088 1.00 0.00 H ATOM 122 HZ PHE A 8 28.892 -2.326 22.878 1.00 0.00 H ATOM 123 HE1 PHE A 8 27.630 -4.232 23.847 1.00 0.00 H ATOM 124 HD1 PHE A 8 28.713 -6.457 24.029 1.00 0.00 H ATOM 125 H PHE A 8 32.443 -9.311 24.209 1.00 0.00 H ATOM 126 N GLU A 9 30.116 -7.989 26.188 1.00 20.56 N ATOM 127 CA GLU A 9 29.141 -7.832 27.241 1.00 22.96 C ATOM 128 C GLU A 9 29.850 -7.621 28.564 1.00 22.01 C ATOM 129 O GLU A 9 29.416 -6.810 29.381 1.00 21.38 O ATOM 130 CB GLU A 9 28.268 -9.065 27.342 1.00 26.05 C ATOM 131 CG GLU A 9 27.820 -9.569 26.013 1.00 33.11 C ATOM 132 CD GLU A 9 26.749 -10.619 26.143 1.00 37.43 C ATOM 133 OE1 GLU A 9 26.135 -10.717 27.242 1.00 37.76 O ATOM 134 OE2 GLU A 9 26.530 -11.336 25.138 1.00 39.24 O ATOM 135 HA GLU A 9 28.517 -6.969 27.010 1.00 0.00 H ATOM 136 HB2 GLU A 9 28.834 -9.852 27.840 1.00 0.00 H ATOM 137 HB3 GLU A 9 27.388 -8.820 27.936 1.00 0.00 H ATOM 138 HG2 GLU A 9 27.427 -8.734 25.433 1.00 0.00 H ATOM 139 HG3 GLU A 9 28.675 -10.000 25.493 1.00 0.00 H ATOM 140 H GLU A 9 30.167 -8.884 25.661 1.00 0.00 H ATOM 141 N ARG A 10 30.940 -8.348 28.775 1.00 20.48 N ATOM 142 CA ARG A 10 31.668 -8.217 30.022 1.00 22.79 C ATOM 143 C ARG A 10 32.245 -6.823 30.190 1.00 22.33 C ATOM 144 O ARG A 10 32.109 -6.199 31.248 1.00 23.20 O ATOM 145 CB ARG A 10 32.798 -9.241 30.090 1.00 25.61 C ATOM 146 CG ARG A 10 33.764 -9.016 31.247 1.00 26.03 C ATOM 147 CD ARG A 10 34.657 -10.205 31.428 1.00 27.85 C ATOM 148 NE ARG A 10 35.545 -10.389 30.288 1.00 30.57 N ATOM 149 CZ ARG A 10 36.677 -9.714 30.108 1.00 32.97 C ATOM 150 NH1 ARG A 10 37.064 -8.804 31.000 1.00 32.04 N ATOM 151 NH2 ARG A 10 37.423 -9.954 29.035 1.00 33.25 N ATOM 152 HA ARG A 10 30.959 -8.397 30.830 1.00 0.00 H ATOM 153 HB2 ARG A 10 32.358 -10.232 30.198 1.00 0.00 H ATOM 154 HB3 ARG A 10 33.361 -9.194 29.158 1.00 0.00 H ATOM 155 HG2 ARG A 10 34.375 -8.138 31.038 1.00 0.00 H ATOM 156 HG3 ARG A 10 33.195 -8.852 32.162 1.00 0.00 H ATOM 157 HD2 ARG A 10 34.040 -11.096 31.544 1.00 0.00 H ATOM 158 HD3 ARG A 10 35.259 -10.062 32.326 1.00 0.00 H ATOM 159 HE ARG A 10 35.277 -11.092 29.570 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.950 -8.278 30.856 1.00 0.00 H ATOM 161 HH11 ARG A 10 36.481 -8.619 31.841 1.00 0.00 H ATOM 162 HH22 ARG A 10 38.309 -9.429 28.890 1.00 0.00 H ATOM 163 HH21 ARG A 10 37.121 -10.667 28.341 1.00 0.00 H ATOM 164 H ARG A 10 31.272 -9.011 28.046 1.00 0.00 H ATOM 165 N GLN A 11 32.885 -6.327 29.143 1.00 22.50 N ATOM 166 CA GLN A 11 33.502 -5.019 29.207 1.00 22.16 C ATOM 167 C GLN A 11 32.618 -3.792 29.018 1.00 21.82 C ATOM 168 O GLN A 11 32.990 -2.711 29.469 1.00 22.86 O ATOM 169 CB GLN A 11 34.638 -4.955 28.197 1.00 23.57 C ATOM 170 CG GLN A 11 35.518 -6.172 28.230 1.00 27.56 C ATOM 171 CD GLN A 11 36.821 -5.937 27.521 1.00 31.69 C ATOM 172 OE1 GLN A 11 37.877 -6.120 28.100 1.00 36.83 O ATOM 173 NE2 GLN A 11 36.758 -5.524 26.259 1.00 32.86 N ATOM 174 HA GLN A 11 33.826 -4.949 30.245 1.00 0.00 H ATOM 175 HB2 GLN A 11 34.211 -4.861 27.198 1.00 0.00 H ATOM 176 HB3 GLN A 11 35.248 -4.078 28.414 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.723 -6.432 29.269 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.997 -6.998 27.746 1.00 0.00 H ATOM 179 HE22 GLN A 11 35.834 -5.381 25.804 1.00 0.00 H ATOM 180 HE21 GLN A 11 37.633 -5.344 25.726 1.00 0.00 H ATOM 181 H GLN A 11 32.945 -6.882 28.266 1.00 0.00 H ATOM 182 N HIS A 12 31.446 -3.935 28.392 1.00 21.01 N ATOM 183 CA HIS A 12 30.639 -2.746 28.109 1.00 19.01 C ATOM 184 C HIS A 12 29.193 -2.729 28.505 1.00 18.78 C ATOM 185 O HIS A 12 28.565 -1.679 28.493 1.00 20.33 O ATOM 186 CB HIS A 12 30.748 -2.420 26.614 1.00 16.84 C ATOM 187 CG HIS A 12 32.156 -2.236 26.153 1.00 17.86 C ATOM 188 ND1 HIS A 12 32.902 -1.125 26.475 1.00 18.21 N ATOM 189 CD2 HIS A 12 32.980 -3.050 25.455 1.00 18.21 C ATOM 190 CE1 HIS A 12 34.124 -1.261 25.996 1.00 16.92 C ATOM 191 NE2 HIS A 12 34.198 -2.421 25.373 1.00 18.49 N ATOM 192 HA HIS A 12 31.076 -1.996 28.769 1.00 0.00 H ATOM 193 HB2 HIS A 12 30.302 -3.237 26.048 1.00 0.00 H ATOM 194 HB3 HIS A 12 30.196 -1.500 26.419 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.725 -4.023 25.036 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.934 -0.538 26.098 1.00 0.00 H ATOM 197 H HIS A 12 31.111 -4.878 28.109 1.00 0.00 H ATOM 198 N MET A 13 28.652 -3.877 28.859 1.00 18.86 N ATOM 199 CA MET A 13 27.260 -3.916 29.231 1.00 20.92 C ATOM 200 C MET A 13 26.972 -3.870 30.728 1.00 22.42 C ATOM 201 O MET A 13 27.523 -4.644 31.506 1.00 23.28 O ATOM 202 CB MET A 13 26.612 -5.164 28.649 1.00 21.88 C ATOM 203 CG MET A 13 26.573 -5.187 27.120 1.00 25.16 C ATOM 204 SD MET A 13 25.505 -3.910 26.456 1.00 26.94 S ATOM 205 CE MET A 13 23.997 -4.180 27.408 1.00 25.04 C ATOM 206 HA MET A 13 26.838 -2.999 28.821 1.00 0.00 H ATOM 207 HB2 MET A 13 27.173 -6.034 28.991 1.00 0.00 H ATOM 208 HB3 MET A 13 25.589 -5.224 29.020 1.00 0.00 H ATOM 209 HG2 MET A 13 26.206 -6.159 26.792 1.00 0.00 H ATOM 210 HG3 MET A 13 27.583 -5.034 26.740 1.00 0.00 H ATOM 211 HE1 MET A 13 23.630 -5.190 27.226 1.00 0.00 H ATOM 212 HE2 MET A 13 24.212 -4.056 28.469 1.00 0.00 H ATOM 213 HE3 MET A 13 23.241 -3.456 27.102 1.00 0.00 H ATOM 214 H MET A 13 29.223 -4.746 28.870 1.00 0.00 H ATOM 215 N ASP A 14 26.129 -2.927 31.123 1.00 22.11 N ATOM 216 CA ASP A 14 25.674 -2.824 32.496 1.00 24.49 C ATOM 217 C ASP A 14 24.209 -2.390 32.441 1.00 25.82 C ATOM 218 O ASP A 14 23.887 -1.202 32.538 1.00 25.34 O ATOM 219 CB ASP A 14 26.466 -1.821 33.318 1.00 24.70 C ATOM 220 CG ASP A 14 25.944 -1.731 34.751 1.00 29.43 C ATOM 221 OD1 ASP A 14 25.295 -2.706 35.199 1.00 30.00 O ATOM 222 OD2 ASP A 14 26.160 -0.699 35.424 1.00 30.87 O ATOM 223 HA ASP A 14 25.810 -3.789 32.984 1.00 0.00 H ATOM 224 HB2 ASP A 14 27.511 -2.129 33.341 1.00 0.00 H ATOM 225 HB3 ASP A 14 26.388 -0.840 32.850 1.00 0.00 H ATOM 226 H ASP A 14 25.782 -2.238 30.425 1.00 0.00 H ATOM 227 N SER A 15 23.331 -3.371 32.261 1.00 28.07 N ATOM 228 CA SER A 15 21.892 -3.133 32.186 1.00 33.79 C ATOM 229 C SER A 15 21.228 -3.007 33.573 1.00 37.44 C ATOM 230 O SER A 15 20.094 -2.538 33.672 1.00 38.69 O ATOM 231 CB SER A 15 21.220 -4.265 31.392 1.00 33.47 C ATOM 232 OG SER A 15 21.994 -4.655 30.260 1.00 35.06 O ATOM 233 HA SER A 15 21.754 -2.178 31.679 1.00 0.00 H ATOM 234 HB2 SER A 15 20.243 -3.924 31.050 1.00 0.00 H ATOM 235 HB3 SER A 15 21.094 -5.127 32.046 1.00 0.00 H ATOM 236 HG SER A 15 22.108 -3.879 29.656 1.00 0.00 H ATOM 237 H SER A 15 23.682 -4.346 32.170 1.00 0.00 H ATOM 238 N SER A 16 21.933 -3.421 34.631 1.00 40.82 N ATOM 239 CA SER A 16 21.404 -3.337 36.002 1.00 44.34 C ATOM 240 C SER A 16 21.160 -1.888 36.376 1.00 47.37 C ATOM 241 O SER A 16 20.054 -1.510 36.753 1.00 48.84 O ATOM 242 CB SER A 16 22.380 -3.943 37.011 1.00 41.82 C ATOM 243 OG SER A 16 22.562 -5.324 36.771 1.00 42.98 O ATOM 244 HA SER A 16 20.470 -3.898 36.030 1.00 0.00 H ATOM 245 HB2 SER A 16 21.985 -3.805 38.017 1.00 0.00 H ATOM 246 HB3 SER A 16 23.341 -3.436 36.927 1.00 0.00 H ATOM 247 HG SER A 16 23.197 -5.692 37.436 1.00 0.00 H ATOM 248 H SER A 16 22.884 -3.814 34.481 1.00 0.00 H ATOM 249 N THR A 17 22.205 -1.078 36.281 1.00 49.88 N ATOM 250 CA THR A 17 22.097 0.341 36.591 1.00 51.56 C ATOM 251 C THR A 17 21.722 1.108 35.300 1.00 52.26 C ATOM 252 O THR A 17 22.379 0.972 34.264 1.00 52.85 O ATOM 253 CB THR A 17 23.443 0.871 37.208 1.00 51.99 C ATOM 254 OG1 THR A 17 24.168 1.642 36.236 1.00 50.78 O ATOM 255 CG2 THR A 17 24.317 -0.306 37.683 1.00 49.30 C ATOM 256 HA THR A 17 21.316 0.502 37.334 1.00 0.00 H ATOM 257 HB THR A 17 23.201 1.504 38.062 1.00 0.00 H ATOM 258 HG1 THR A 17 23.617 2.413 35.951 1.00 0.00 H ATOM 259 HG23 THR A 17 23.767 -0.891 38.420 1.00 0.00 H ATOM 260 HG21 THR A 17 24.568 -0.937 36.831 1.00 0.00 H ATOM 261 HG22 THR A 17 25.232 0.081 38.133 1.00 0.00 H ATOM 262 H THR A 17 23.122 -1.464 35.978 1.00 0.00 H ATOM 263 N SER A 18 20.653 1.897 35.363 1.00 52.21 N ATOM 264 CA SER A 18 20.191 2.667 34.209 1.00 52.84 C ATOM 265 C SER A 18 20.997 3.943 33.979 1.00 53.53 C ATOM 266 O SER A 18 20.887 4.571 32.927 1.00 52.49 O ATOM 267 CB SER A 18 18.719 3.028 34.381 1.00 53.03 C ATOM 268 OG SER A 18 18.572 4.098 35.294 1.00 53.48 O ATOM 269 HA SER A 18 20.332 2.032 33.335 1.00 0.00 H ATOM 270 HB2 SER A 18 18.178 2.159 34.757 1.00 0.00 H ATOM 271 HB3 SER A 18 18.307 3.321 33.416 1.00 0.00 H ATOM 272 HG SER A 18 17.612 4.317 35.392 1.00 0.00 H ATOM 273 H SER A 18 20.130 1.968 36.259 1.00 0.00 H ATOM 274 N ALA A 19 21.792 4.327 34.974 1.00 54.44 N ATOM 275 CA ALA A 19 22.644 5.512 34.895 1.00 56.60 C ATOM 276 C ALA A 19 23.884 5.284 35.758 1.00 57.99 C ATOM 277 O ALA A 19 23.907 4.375 36.591 1.00 59.66 O ATOM 278 CB ALA A 19 21.884 6.751 35.378 1.00 56.07 C ATOM 279 HA ALA A 19 22.940 5.679 33.860 1.00 0.00 H ATOM 280 HB1 ALA A 19 21.005 6.903 34.752 1.00 0.00 H ATOM 281 HB2 ALA A 19 21.574 6.605 36.413 1.00 0.00 H ATOM 282 HB3 ALA A 19 22.534 7.623 35.312 1.00 0.00 H ATOM 283 H ALA A 19 21.808 3.760 35.846 1.00 0.00 H ATOM 284 N ALA A 20 24.918 6.094 35.550 1.00 59.60 N ATOM 285 CA ALA A 20 26.140 5.960 36.339 1.00 59.84 C ATOM 286 C ALA A 20 25.774 6.237 37.786 1.00 60.03 C ATOM 287 O ALA A 20 25.371 7.348 38.134 1.00 59.13 O ATOM 288 CB ALA A 20 27.185 6.951 35.870 1.00 60.62 C ATOM 289 HA ALA A 20 26.558 4.959 36.228 1.00 0.00 H ATOM 290 HB1 ALA A 20 27.417 6.763 34.822 1.00 0.00 H ATOM 291 HB2 ALA A 20 26.799 7.964 35.982 1.00 0.00 H ATOM 292 HB3 ALA A 20 28.088 6.836 36.470 1.00 0.00 H ATOM 293 H ALA A 20 24.856 6.830 34.818 1.00 0.00 H ATOM 294 N SER A 21 25.923 5.220 38.625 1.00 61.33 N ATOM 295 CA SER A 21 25.580 5.327 40.037 1.00 62.84 C ATOM 296 C SER A 21 26.515 6.197 40.907 1.00 61.95 C ATOM 297 O SER A 21 26.660 7.406 40.685 1.00 63.60 O ATOM 298 CB SER A 21 25.453 3.915 40.623 1.00 62.55 C ATOM 299 OG SER A 21 24.304 3.263 40.095 1.00 62.94 O ATOM 300 HA SER A 21 24.633 5.866 40.067 1.00 0.00 H ATOM 301 HB2 SER A 21 25.362 3.982 41.707 1.00 0.00 H ATOM 302 HB3 SER A 21 26.343 3.339 40.369 1.00 0.00 H ATOM 303 HG SER A 21 24.235 2.354 40.481 1.00 0.00 H ATOM 304 H SER A 21 26.296 4.319 38.264 1.00 0.00 H ATOM 305 N SER A 22 27.132 5.587 41.909 1.00 60.82 N ATOM 306 CA SER A 22 28.021 6.315 42.803 1.00 57.59 C ATOM 307 C SER A 22 29.165 6.987 42.057 1.00 56.24 C ATOM 308 O SER A 22 29.446 6.672 40.896 1.00 55.65 O ATOM 309 CB SER A 22 28.614 5.353 43.820 1.00 58.12 C ATOM 310 OG SER A 22 29.476 4.438 43.166 1.00 59.06 O ATOM 311 HA SER A 22 27.427 7.088 43.290 1.00 0.00 H ATOM 312 HB2 SER A 22 27.811 4.805 44.313 1.00 0.00 H ATOM 313 HB3 SER A 22 29.179 5.915 44.564 1.00 0.00 H ATOM 314 HG SER A 22 29.860 3.814 43.832 1.00 0.00 H ATOM 315 H SER A 22 26.978 4.569 42.059 1.00 0.00 H ATOM 316 N SER A 23 29.837 7.907 42.741 1.00 53.55 N ATOM 317 CA SER A 23 30.985 8.587 42.164 1.00 48.59 C ATOM 318 C SER A 23 32.054 7.517 42.030 1.00 45.58 C ATOM 319 O SER A 23 33.022 7.676 41.292 1.00 44.75 O ATOM 320 CB SER A 23 31.475 9.687 43.101 1.00 49.35 C ATOM 321 OG SER A 23 32.183 10.674 42.371 1.00 49.85 O ATOM 322 HA SER A 23 30.741 9.054 41.210 1.00 0.00 H ATOM 323 HB2 SER A 23 32.134 9.253 43.852 1.00 0.00 H ATOM 324 HB3 SER A 23 30.619 10.148 43.594 1.00 0.00 H ATOM 325 HG SER A 23 32.495 11.381 42.990 1.00 0.00 H ATOM 326 H SER A 23 29.536 8.145 43.708 1.00 0.00 H ATOM 327 N ASN A 24 31.859 6.420 42.757 1.00 44.71 N ATOM 328 CA ASN A 24 32.794 5.298 42.738 1.00 44.22 C ATOM 329 C ASN A 24 32.351 4.164 41.817 1.00 39.15 C ATOM 330 O ASN A 24 32.892 3.060 41.882 1.00 35.66 O ATOM 331 CB ASN A 24 33.002 4.752 44.159 1.00 49.91 C ATOM 332 CG ASN A 24 34.462 4.889 44.631 1.00 56.66 C ATOM 333 OD1 ASN A 24 35.161 3.888 44.874 1.00 59.17 O ATOM 334 ND2 ASN A 24 34.928 6.136 44.755 1.00 58.96 N ATOM 335 HA ASN A 24 33.732 5.688 42.343 1.00 0.00 H ATOM 336 HB2 ASN A 24 32.359 5.304 44.844 1.00 0.00 H ATOM 337 HB3 ASN A 24 32.726 3.698 44.173 1.00 0.00 H ATOM 338 HD22 ASN A 24 34.311 6.945 44.542 1.00 0.00 H ATOM 339 HD21 ASN A 24 35.908 6.297 45.065 1.00 0.00 H ATOM 340 H ASN A 24 31.013 6.359 43.359 1.00 0.00 H ATOM 341 N TYR A 25 31.358 4.440 40.973 1.00 36.19 N ATOM 342 CA TYR A 25 30.864 3.445 40.029 1.00 32.94 C ATOM 343 C TYR A 25 31.999 2.826 39.202 1.00 31.14 C ATOM 344 O TYR A 25 32.098 1.607 39.108 1.00 32.26 O ATOM 345 CB TYR A 25 29.838 4.064 39.069 1.00 34.16 C ATOM 346 CG TYR A 25 29.409 3.129 37.947 1.00 31.79 C ATOM 347 CD1 TYR A 25 28.466 2.125 38.167 1.00 31.25 C ATOM 348 CD2 TYR A 25 29.965 3.237 36.667 1.00 33.86 C ATOM 349 CE1 TYR A 25 28.091 1.254 37.143 1.00 32.00 C ATOM 350 CE2 TYR A 25 29.591 2.362 35.626 1.00 31.34 C ATOM 351 CZ TYR A 25 28.662 1.379 35.877 1.00 31.62 C ATOM 352 OH TYR A 25 28.324 0.505 34.876 1.00 31.91 O ATOM 353 HA TYR A 25 30.393 2.661 40.622 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.277 4.957 38.624 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.954 4.342 39.642 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.703 4.014 36.470 1.00 0.00 H ATOM 357 HE2 TYR A 25 30.033 2.463 34.635 1.00 0.00 H ATOM 358 HE1 TYR A 25 27.352 0.476 37.333 1.00 0.00 H ATOM 359 HD1 TYR A 25 28.015 2.019 39.154 1.00 0.00 H ATOM 360 HH TYR A 25 27.649 -0.136 35.213 1.00 0.00 H ATOM 361 H TYR A 25 30.926 5.386 40.988 1.00 0.00 H ATOM 362 N CYS A 26 32.855 3.663 38.618 1.00 28.47 N ATOM 363 CA CYS A 26 33.952 3.190 37.781 1.00 27.02 C ATOM 364 C CYS A 26 35.032 2.403 38.497 1.00 28.64 C ATOM 365 O CYS A 26 35.541 1.404 37.971 1.00 26.49 O ATOM 366 CB CYS A 26 34.572 4.363 37.045 1.00 26.48 C ATOM 367 SG CYS A 26 33.492 4.882 35.677 1.00 27.60 S ATOM 368 HA CYS A 26 33.498 2.479 37.091 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.542 4.067 36.647 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.703 5.195 37.737 1.00 0.00 H ATOM 371 H CYS A 26 32.737 4.686 38.763 1.00 0.00 H ATOM 372 N ASN A 27 35.387 2.847 39.695 1.00 28.97 N ATOM 373 CA ASN A 27 36.397 2.137 40.459 1.00 29.27 C ATOM 374 C ASN A 27 35.892 0.740 40.732 1.00 29.28 C ATOM 375 O ASN A 27 36.617 -0.236 40.573 1.00 29.38 O ATOM 376 CB ASN A 27 36.668 2.855 41.772 1.00 30.74 C ATOM 377 CG ASN A 27 37.359 4.166 41.563 1.00 30.73 C ATOM 378 OD1 ASN A 27 38.066 4.343 40.571 1.00 34.99 O ATOM 379 ND2 ASN A 27 37.161 5.104 42.482 1.00 32.55 N ATOM 380 HA ASN A 27 37.328 2.097 39.893 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.719 3.034 42.278 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.297 2.221 42.397 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.555 4.907 43.304 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.612 6.035 42.380 1.00 0.00 H ATOM 385 H ASN A 27 34.943 3.702 40.086 1.00 0.00 H ATOM 386 N GLN A 28 34.632 0.638 41.131 1.00 30.50 N ATOM 387 CA GLN A 28 34.063 -0.670 41.413 1.00 32.36 C ATOM 388 C GLN A 28 33.884 -1.562 40.169 1.00 31.53 C ATOM 389 O GLN A 28 34.380 -2.690 40.144 1.00 30.08 O ATOM 390 CB GLN A 28 32.753 -0.494 42.183 1.00 33.29 C ATOM 391 CG GLN A 28 33.014 0.091 43.569 1.00 39.40 C ATOM 392 CD GLN A 28 31.768 0.579 44.282 1.00 42.54 C ATOM 393 OE1 GLN A 28 30.969 1.325 43.717 1.00 46.75 O ATOM 394 NE2 GLN A 28 31.601 0.165 45.539 1.00 44.04 N ATOM 395 HA GLN A 28 34.782 -1.209 42.029 1.00 0.00 H ATOM 396 HB2 GLN A 28 32.099 0.179 41.628 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.268 -1.464 42.290 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.480 -0.679 44.183 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.699 0.932 43.462 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.303 -0.466 45.976 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.769 0.473 46.082 1.00 0.00 H ATOM 402 H GLN A 28 34.051 1.493 41.242 1.00 0.00 H ATOM 403 N MET A 29 33.215 -1.041 39.137 1.00 31.48 N ATOM 404 CA MET A 29 32.959 -1.788 37.900 1.00 30.45 C ATOM 405 C MET A 29 34.203 -2.201 37.146 1.00 29.25 C ATOM 406 O MET A 29 34.303 -3.332 36.694 1.00 29.79 O ATOM 407 CB MET A 29 32.067 -0.973 36.963 1.00 31.81 C ATOM 408 CG MET A 29 30.626 -0.922 37.412 1.00 33.81 C ATOM 409 SD MET A 29 29.877 -2.546 37.385 1.00 36.65 S ATOM 410 CE MET A 29 29.401 -2.638 35.620 1.00 35.47 C ATOM 411 HA MET A 29 32.465 -2.705 38.220 1.00 0.00 H ATOM 412 HB2 MET A 29 32.452 0.046 36.916 1.00 0.00 H ATOM 413 HB3 MET A 29 32.106 -1.421 35.970 1.00 0.00 H ATOM 414 HG2 MET A 29 30.069 -0.263 36.745 1.00 0.00 H ATOM 415 HG3 MET A 29 30.584 -0.529 38.428 1.00 0.00 H ATOM 416 HE1 MET A 29 28.712 -1.826 35.388 1.00 0.00 H ATOM 417 HE2 MET A 29 30.293 -2.548 34.999 1.00 0.00 H ATOM 418 HE3 MET A 29 28.916 -3.594 35.425 1.00 0.00 H ATOM 419 H MET A 29 32.861 -0.066 39.213 1.00 0.00 H ATOM 420 N MET A 30 35.150 -1.285 36.998 1.00 29.79 N ATOM 421 CA MET A 30 36.376 -1.600 36.281 1.00 30.43 C ATOM 422 C MET A 30 37.107 -2.750 36.958 1.00 31.38 C ATOM 423 O MET A 30 37.715 -3.596 36.306 1.00 30.72 O ATOM 424 CB MET A 30 37.274 -0.374 36.219 1.00 29.94 C ATOM 425 CG MET A 30 36.739 0.731 35.324 1.00 29.38 C ATOM 426 SD MET A 30 36.677 0.282 33.580 1.00 27.36 S ATOM 427 CE MET A 30 38.438 0.046 33.190 1.00 26.07 C ATOM 428 HA MET A 30 36.118 -1.902 35.266 1.00 0.00 H ATOM 429 HB2 MET A 30 37.384 0.023 37.228 1.00 0.00 H ATOM 430 HB3 MET A 30 38.250 -0.681 35.842 1.00 0.00 H ATOM 431 HG2 MET A 30 37.382 1.604 35.432 1.00 0.00 H ATOM 432 HG3 MET A 30 35.730 0.982 35.651 1.00 0.00 H ATOM 433 HE1 MET A 30 38.977 0.975 33.374 1.00 0.00 H ATOM 434 HE2 MET A 30 38.846 -0.743 33.821 1.00 0.00 H ATOM 435 HE3 MET A 30 38.542 -0.235 32.142 1.00 0.00 H ATOM 436 H MET A 30 35.015 -0.334 37.397 1.00 0.00 H ATOM 437 N LYS A 31 37.050 -2.775 38.276 1.00 32.75 N ATOM 438 CA LYS A 31 37.694 -3.843 39.014 1.00 34.82 C ATOM 439 C LYS A 31 36.912 -5.147 38.841 1.00 33.66 C ATOM 440 O LYS A 31 37.475 -6.166 38.431 1.00 33.44 O ATOM 441 CB LYS A 31 37.778 -3.481 40.501 1.00 37.98 C ATOM 442 CG LYS A 31 38.721 -4.378 41.302 1.00 42.96 C ATOM 443 CD LYS A 31 38.959 -3.837 42.702 1.00 47.24 C ATOM 444 CE LYS A 31 40.413 -4.014 43.114 1.00 49.70 C ATOM 445 NZ LYS A 31 40.582 -5.070 44.165 1.00 51.97 N ATOM 446 HA LYS A 31 38.703 -3.979 38.624 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.128 -2.452 40.585 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.780 -3.560 40.931 1.00 0.00 H ATOM 449 HG2 LYS A 31 38.283 -5.373 41.378 1.00 0.00 H ATOM 450 HG3 LYS A 31 39.676 -4.442 40.781 1.00 0.00 H ATOM 451 HD2 LYS A 31 38.709 -2.776 42.722 1.00 0.00 H ATOM 452 HD3 LYS A 31 38.321 -4.373 43.405 1.00 0.00 H ATOM 453 HE2 LYS A 31 40.785 -3.067 43.505 1.00 0.00 H ATOM 454 HE3 LYS A 31 40.994 -4.296 42.236 1.00 0.00 H ATOM 455 HZ1 LYS A 31 40.037 -4.806 45.010 1.00 0.00 H ATOM 456 HZ2 LYS A 31 40.237 -5.980 43.799 1.00 0.00 H ATOM 457 HZ3 LYS A 31 41.589 -5.153 44.412 1.00 0.00 H ATOM 458 H LYS A 31 36.541 -2.026 38.787 1.00 0.00 H ATOM 459 N SER A 32 35.614 -5.096 39.137 1.00 32.51 N ATOM 460 CA SER A 32 34.744 -6.264 39.046 1.00 34.01 C ATOM 461 C SER A 32 34.656 -6.946 37.686 1.00 34.40 C ATOM 462 O SER A 32 34.498 -8.163 37.627 1.00 36.65 O ATOM 463 CB SER A 32 33.335 -5.913 39.508 1.00 33.51 C ATOM 464 OG SER A 32 33.114 -4.530 39.392 1.00 39.14 O ATOM 465 HA SER A 32 35.225 -6.990 39.702 1.00 0.00 H ATOM 466 HB2 SER A 32 33.213 -6.211 40.549 1.00 0.00 H ATOM 467 HB3 SER A 32 32.611 -6.446 38.892 1.00 0.00 H ATOM 468 HG SER A 32 33.769 -4.044 39.953 1.00 0.00 H ATOM 469 H SER A 32 35.206 -4.190 39.444 1.00 0.00 H ATOM 470 N ARG A 33 34.736 -6.191 36.595 1.00 32.70 N ATOM 471 CA ARG A 33 34.673 -6.813 35.269 1.00 32.46 C ATOM 472 C ARG A 33 36.065 -7.256 34.794 1.00 34.74 C ATOM 473 O ARG A 33 36.260 -7.567 33.615 1.00 34.54 O ATOM 474 CB ARG A 33 34.051 -5.844 34.252 1.00 30.90 C ATOM 475 CG ARG A 33 32.622 -5.409 34.579 1.00 27.80 C ATOM 476 CD ARG A 33 31.694 -6.607 34.717 1.00 27.16 C ATOM 477 NE ARG A 33 30.313 -6.196 34.938 1.00 26.43 N ATOM 478 CZ ARG A 33 29.499 -5.815 33.960 1.00 27.67 C ATOM 479 NH1 ARG A 33 29.953 -5.805 32.710 1.00 26.06 N ATOM 480 NH2 ARG A 33 28.250 -5.431 34.225 1.00 24.30 N ATOM 481 HA ARG A 33 34.044 -7.700 35.346 1.00 0.00 H ATOM 482 HB2 ARG A 33 34.676 -4.952 34.205 1.00 0.00 H ATOM 483 HB3 ARG A 33 34.044 -6.332 33.277 1.00 0.00 H ATOM 484 HG2 ARG A 33 32.626 -4.853 35.517 1.00 0.00 H ATOM 485 HG3 ARG A 33 32.255 -4.766 33.779 1.00 0.00 H ATOM 486 HD2 ARG A 33 32.022 -7.213 35.562 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.745 -7.201 33.804 1.00 0.00 H ATOM 488 HE ARG A 33 29.946 -6.201 35.911 1.00 0.00 H ATOM 489 HH12 ARG A 33 29.329 -5.509 31.932 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.932 -6.093 32.510 1.00 0.00 H ATOM 491 HH22 ARG A 33 27.622 -5.135 33.451 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.904 -5.428 35.206 1.00 0.00 H ATOM 493 H ARG A 33 34.843 -5.160 36.682 1.00 0.00 H ATOM 494 N ASN A 34 37.024 -7.272 35.723 1.00 36.75 N ATOM 495 CA ASN A 34 38.401 -7.683 35.451 1.00 38.30 C ATOM 496 C ASN A 34 39.143 -6.796 34.459 1.00 38.39 C ATOM 497 O ASN A 34 40.011 -7.273 33.724 1.00 37.56 O ATOM 498 CB ASN A 34 38.423 -9.126 34.935 1.00 43.66 C ATOM 499 CG ASN A 34 38.312 -10.157 36.055 1.00 48.10 C ATOM 500 OD1 ASN A 34 37.246 -10.327 36.654 1.00 50.54 O ATOM 501 ND2 ASN A 34 39.413 -10.852 36.337 1.00 49.06 N ATOM 502 HA ASN A 34 38.924 -7.590 36.403 1.00 0.00 H ATOM 503 HB2 ASN A 34 37.586 -9.264 34.250 1.00 0.00 H ATOM 504 HB3 ASN A 34 39.359 -9.291 34.401 1.00 0.00 H ATOM 505 HD22 ASN A 34 40.290 -10.675 35.806 1.00 0.00 H ATOM 506 HD21 ASN A 34 39.396 -11.571 37.088 1.00 0.00 H ATOM 507 H ASN A 34 36.779 -6.977 36.690 1.00 0.00 H ATOM 508 N LEU A 35 38.834 -5.505 34.439 1.00 37.65 N ATOM 509 CA LEU A 35 39.488 -4.615 33.483 1.00 37.71 C ATOM 510 C LEU A 35 40.818 -4.009 33.955 1.00 38.87 C ATOM 511 O LEU A 35 41.509 -3.334 33.193 1.00 39.30 O ATOM 512 CB LEU A 35 38.507 -3.508 33.067 1.00 37.29 C ATOM 513 CG LEU A 35 37.081 -3.973 32.731 1.00 34.65 C ATOM 514 CD1 LEU A 35 36.309 -2.869 32.058 1.00 34.54 C ATOM 515 CD2 LEU A 35 37.153 -5.168 31.821 1.00 35.56 C ATOM 516 HA LEU A 35 39.759 -5.238 32.631 1.00 0.00 H ATOM 517 HB2 LEU A 35 38.442 -2.792 33.887 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.915 -3.013 32.186 1.00 0.00 H ATOM 519 HG LEU A 35 36.568 -4.240 33.655 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.675 -4.894 30.904 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.693 -5.972 32.321 1.00 0.00 H ATOM 522 HD23 LEU A 35 36.143 -5.501 31.580 1.00 0.00 H ATOM 523 HD11 LEU A 35 36.253 -2.008 32.724 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.815 -2.584 31.136 1.00 0.00 H ATOM 525 HD13 LEU A 35 35.302 -3.219 31.829 1.00 0.00 H ATOM 526 H LEU A 35 38.128 -5.128 35.103 1.00 0.00 H ATOM 527 N THR A 36 41.182 -4.275 35.204 1.00 40.88 N ATOM 528 CA THR A 36 42.417 -3.749 35.777 1.00 42.23 C ATOM 529 C THR A 36 43.280 -4.904 36.307 1.00 44.83 C ATOM 530 O THR A 36 44.080 -4.738 37.232 1.00 43.39 O ATOM 531 CB THR A 36 42.083 -2.778 36.924 1.00 41.68 C ATOM 532 OG1 THR A 36 41.209 -3.424 37.866 1.00 40.43 O ATOM 533 CG2 THR A 36 41.391 -1.534 36.376 1.00 40.24 C ATOM 534 HA THR A 36 42.972 -3.216 35.005 1.00 0.00 H ATOM 535 HB THR A 36 43.010 -2.488 37.418 1.00 0.00 H ATOM 536 HG1 THR A 36 40.997 -2.796 38.602 1.00 0.00 H ATOM 537 HG23 THR A 36 42.048 -1.039 35.661 1.00 0.00 H ATOM 538 HG21 THR A 36 40.465 -1.824 35.880 1.00 0.00 H ATOM 539 HG22 THR A 36 41.167 -0.853 37.197 1.00 0.00 H ATOM 540 H THR A 36 40.569 -4.876 35.791 1.00 0.00 H ATOM 541 N LYS A 37 43.115 -6.068 35.682 1.00 47.46 N ATOM 542 CA LYS A 37 43.805 -7.301 36.063 1.00 49.71 C ATOM 543 C LYS A 37 45.306 -7.418 35.766 1.00 50.16 C ATOM 544 O LYS A 37 45.994 -8.229 36.389 1.00 52.82 O ATOM 545 CB LYS A 37 43.071 -8.494 35.440 1.00 51.62 C ATOM 546 CG LYS A 37 43.408 -9.836 36.055 1.00 53.40 C ATOM 547 CD LYS A 37 44.452 -10.574 35.230 1.00 56.71 C ATOM 548 CE LYS A 37 44.776 -11.920 35.861 1.00 58.82 C ATOM 549 NZ LYS A 37 43.700 -12.365 36.811 1.00 59.07 N ATOM 550 HA LYS A 37 43.770 -7.286 37.152 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.999 -8.329 35.551 1.00 0.00 H ATOM 552 HB3 LYS A 37 43.324 -8.533 34.380 1.00 0.00 H ATOM 553 HG2 LYS A 37 43.796 -9.679 37.061 1.00 0.00 H ATOM 554 HG3 LYS A 37 42.503 -10.441 36.107 1.00 0.00 H ATOM 555 HD2 LYS A 37 44.067 -10.733 34.223 1.00 0.00 H ATOM 556 HD3 LYS A 37 45.360 -9.973 35.180 1.00 0.00 H ATOM 557 HE2 LYS A 37 45.716 -11.837 36.406 1.00 0.00 H ATOM 558 HE3 LYS A 37 44.880 -12.664 35.071 1.00 0.00 H ATOM 559 HZ1 LYS A 37 43.599 -11.663 37.572 1.00 0.00 H ATOM 560 HZ2 LYS A 37 42.800 -12.453 36.297 1.00 0.00 H ATOM 561 HZ3 LYS A 37 43.959 -13.286 37.219 1.00 0.00 H ATOM 562 H LYS A 37 42.458 -6.103 34.877 1.00 0.00 H ATOM 563 N ASP A 38 45.818 -6.642 34.818 1.00 50.50 N ATOM 564 CA ASP A 38 47.247 -6.704 34.500 1.00 51.59 C ATOM 565 C ASP A 38 47.725 -5.382 33.913 1.00 49.84 C ATOM 566 O ASP A 38 48.850 -5.259 33.411 1.00 49.61 O ATOM 567 CB ASP A 38 47.526 -7.851 33.522 1.00 54.78 C ATOM 568 CG ASP A 38 46.619 -7.822 32.316 1.00 56.89 C ATOM 569 OD1 ASP A 38 46.180 -6.713 31.932 1.00 58.35 O ATOM 570 OD2 ASP A 38 46.350 -8.909 31.753 1.00 58.34 O ATOM 571 HA ASP A 38 47.796 -6.889 35.423 1.00 0.00 H ATOM 572 HB2 ASP A 38 48.559 -7.777 33.183 1.00 0.00 H ATOM 573 HB3 ASP A 38 47.383 -8.797 34.044 1.00 0.00 H ATOM 574 H ASP A 38 45.201 -5.986 34.298 1.00 0.00 H ATOM 575 N ARG A 39 46.847 -4.395 34.003 1.00 46.78 N ATOM 576 CA ARG A 39 47.108 -3.063 33.511 1.00 45.44 C ATOM 577 C ARG A 39 45.852 -2.290 33.816 1.00 43.34 C ATOM 578 O ARG A 39 44.774 -2.864 33.880 1.00 44.13 O ATOM 579 CB ARG A 39 47.306 -3.088 32.007 1.00 46.88 C ATOM 580 CG ARG A 39 48.669 -2.646 31.540 1.00 51.94 C ATOM 581 CD ARG A 39 48.896 -3.013 30.070 1.00 54.94 C ATOM 582 NE ARG A 39 48.370 -2.001 29.153 1.00 57.00 N ATOM 583 CZ ARG A 39 47.074 -1.749 28.985 1.00 58.35 C ATOM 584 NH1 ARG A 39 46.172 -2.436 29.676 1.00 58.88 N ATOM 585 NH2 ARG A 39 46.673 -0.821 28.120 1.00 57.98 N ATOM 586 HA ARG A 39 48.001 -2.633 33.964 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.143 -4.109 31.660 1.00 0.00 H ATOM 588 HB3 ARG A 39 46.563 -2.430 31.556 1.00 0.00 H ATOM 589 HG2 ARG A 39 48.751 -1.565 31.654 1.00 0.00 H ATOM 590 HG3 ARG A 39 49.430 -3.133 32.150 1.00 0.00 H ATOM 591 HD2 ARG A 39 48.400 -3.962 29.866 1.00 0.00 H ATOM 592 HD3 ARG A 39 49.967 -3.119 29.897 1.00 0.00 H ATOM 593 HE ARG A 39 49.051 -1.444 28.598 1.00 0.00 H ATOM 594 HH12 ARG A 39 45.159 -2.241 29.546 1.00 0.00 H ATOM 595 HH11 ARG A 39 46.479 -3.169 30.347 1.00 0.00 H ATOM 596 HH22 ARG A 39 45.658 -0.630 27.995 1.00 0.00 H ATOM 597 HH21 ARG A 39 47.374 -0.286 27.569 1.00 0.00 H ATOM 598 H ARG A 39 45.927 -4.588 34.448 1.00 0.00 H ATOM 599 N CYS A 40 45.972 -0.996 34.036 1.00 40.29 N ATOM 600 CA CYS A 40 44.767 -0.234 34.266 1.00 38.14 C ATOM 601 C CYS A 40 44.326 0.173 32.856 1.00 37.14 C ATOM 602 O CYS A 40 45.053 0.898 32.182 1.00 37.21 O ATOM 603 CB CYS A 40 45.055 1.019 35.099 1.00 36.80 C ATOM 604 SG CYS A 40 45.842 0.747 36.720 1.00 34.45 S ATOM 605 HA CYS A 40 44.016 -0.803 34.814 1.00 0.00 H ATOM 606 HB2 CYS A 40 44.107 1.529 35.271 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.712 1.663 34.514 1.00 0.00 H ATOM 608 H CYS A 40 46.906 -0.538 34.044 1.00 0.00 H ATOM 609 N LYS A 41 43.174 -0.311 32.389 1.00 35.61 N ATOM 610 CA LYS A 41 42.699 0.081 31.064 1.00 33.45 C ATOM 611 C LYS A 41 42.419 1.574 31.193 1.00 32.33 C ATOM 612 O LYS A 41 41.656 1.990 32.069 1.00 31.43 O ATOM 613 CB LYS A 41 41.424 -0.675 30.703 1.00 34.50 C ATOM 614 CG LYS A 41 40.917 -0.386 29.304 1.00 36.94 C ATOM 615 CD LYS A 41 39.663 -1.212 28.991 1.00 39.74 C ATOM 616 CE LYS A 41 39.585 -1.584 27.504 1.00 42.32 C ATOM 617 NZ LYS A 41 38.189 -1.519 26.976 1.00 42.52 N ATOM 618 HA LYS A 41 43.421 -0.143 30.279 1.00 0.00 H ATOM 619 HB2 LYS A 41 41.623 -1.744 30.783 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.646 -0.398 31.415 1.00 0.00 H ATOM 621 HG2 LYS A 41 40.675 0.674 29.224 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.697 -0.634 28.584 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.685 -2.127 29.584 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.781 -0.630 29.257 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.962 -2.599 27.376 1.00 0.00 H ATOM 626 HE3 LYS A 41 40.207 -0.892 26.936 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.588 -2.181 27.506 1.00 0.00 H ATOM 628 HZ2 LYS A 41 37.823 -0.552 27.086 1.00 0.00 H ATOM 629 HZ3 LYS A 41 38.188 -1.778 25.969 1.00 0.00 H ATOM 630 H LYS A 41 42.613 -0.968 32.969 1.00 0.00 H ATOM 631 N PRO A 42 43.026 2.400 30.319 1.00 31.09 N ATOM 632 CA PRO A 42 42.852 3.859 30.346 1.00 30.60 C ATOM 633 C PRO A 42 41.409 4.369 30.237 1.00 31.55 C ATOM 634 O PRO A 42 40.996 5.246 30.998 1.00 31.26 O ATOM 635 CB PRO A 42 43.710 4.358 29.182 1.00 32.11 C ATOM 636 CG PRO A 42 44.513 3.208 28.725 1.00 30.39 C ATOM 637 CD PRO A 42 43.874 1.959 29.200 1.00 31.48 C ATOM 638 HA PRO A 42 43.152 4.242 31.321 1.00 0.00 H ATOM 639 HD3 PRO A 42 43.272 1.506 28.412 1.00 0.00 H ATOM 640 HD2 PRO A 42 44.624 1.244 29.539 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.522 3.281 29.131 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.561 3.204 27.636 1.00 0.00 H ATOM 643 HB2 PRO A 42 43.074 4.718 28.373 1.00 0.00 H ATOM 644 HB3 PRO A 42 44.363 5.164 29.515 1.00 0.00 H ATOM 645 N VAL A 43 40.649 3.824 29.290 1.00 31.30 N ATOM 646 CA VAL A 43 39.270 4.249 29.076 1.00 29.99 C ATOM 647 C VAL A 43 38.334 3.090 28.797 1.00 27.78 C ATOM 648 O VAL A 43 38.679 2.166 28.060 1.00 26.23 O ATOM 649 CB VAL A 43 39.160 5.189 27.872 1.00 31.30 C ATOM 650 CG1 VAL A 43 37.692 5.501 27.599 1.00 31.78 C ATOM 651 CG2 VAL A 43 39.954 6.461 28.131 1.00 33.63 C ATOM 652 HA VAL A 43 38.982 4.746 30.002 1.00 0.00 H ATOM 653 HB VAL A 43 39.578 4.705 26.990 1.00 0.00 H ATOM 654 HG11 VAL A 43 37.158 4.575 27.386 1.00 0.00 H ATOM 655 HG12 VAL A 43 37.255 5.980 28.475 1.00 0.00 H ATOM 656 HG13 VAL A 43 37.617 6.170 26.742 1.00 0.00 H ATOM 657 HG21 VAL A 43 39.558 6.961 29.015 1.00 0.00 H ATOM 658 HG22 VAL A 43 41.001 6.207 28.294 1.00 0.00 H ATOM 659 HG23 VAL A 43 39.869 7.123 27.269 1.00 0.00 H ATOM 660 H VAL A 43 41.048 3.076 28.687 1.00 0.00 H ATOM 661 N ASN A 44 37.139 3.158 29.369 1.00 26.00 N ATOM 662 CA ASN A 44 36.146 2.125 29.143 1.00 24.52 C ATOM 663 C ASN A 44 34.758 2.665 29.332 1.00 23.91 C ATOM 664 O ASN A 44 34.484 3.341 30.317 1.00 25.94 O ATOM 665 CB ASN A 44 36.336 0.947 30.086 1.00 24.09 C ATOM 666 CG ASN A 44 35.610 -0.289 29.601 1.00 23.89 C ATOM 667 OD1 ASN A 44 35.934 -0.839 28.548 1.00 22.04 O ATOM 668 ND2 ASN A 44 34.616 -0.729 30.364 1.00 22.24 N ATOM 669 HA ASN A 44 36.277 1.786 28.115 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.400 0.724 30.161 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.952 1.218 31.070 1.00 0.00 H ATOM 672 HD22 ASN A 44 34.378 -0.232 31.246 1.00 0.00 H ATOM 673 HD21 ASN A 44 34.076 -1.571 30.080 1.00 0.00 H ATOM 674 H ASN A 44 36.911 3.962 29.988 1.00 0.00 H ATOM 675 N THR A 45 33.875 2.330 28.398 1.00 22.52 N ATOM 676 CA THR A 45 32.496 2.778 28.446 1.00 20.64 C ATOM 677 C THR A 45 31.550 1.635 28.770 1.00 18.40 C ATOM 678 O THR A 45 31.670 0.544 28.227 1.00 17.90 O ATOM 679 CB THR A 45 32.079 3.381 27.086 1.00 22.44 C ATOM 680 OG1 THR A 45 32.973 4.448 26.750 1.00 21.48 O ATOM 681 CG2 THR A 45 30.623 3.898 27.133 1.00 20.37 C ATOM 682 HA THR A 45 32.431 3.531 29.231 1.00 0.00 H ATOM 683 HB THR A 45 32.133 2.604 26.324 1.00 0.00 H ATOM 684 HG1 THR A 45 32.930 5.146 27.451 1.00 0.00 H ATOM 685 HG23 THR A 45 29.955 3.076 27.390 1.00 0.00 H ATOM 686 HG21 THR A 45 30.541 4.682 27.885 1.00 0.00 H ATOM 687 HG22 THR A 45 30.350 4.299 26.157 1.00 0.00 H ATOM 688 H THR A 45 34.182 1.728 27.608 1.00 0.00 H ATOM 689 N PHE A 46 30.620 1.895 29.677 1.00 19.20 N ATOM 690 CA PHE A 46 29.605 0.913 30.037 1.00 20.07 C ATOM 691 C PHE A 46 28.273 1.400 29.461 1.00 20.22 C ATOM 692 O PHE A 46 27.958 2.585 29.524 1.00 20.92 O ATOM 693 CB PHE A 46 29.502 0.783 31.561 1.00 22.58 C ATOM 694 CG PHE A 46 30.552 -0.100 32.151 1.00 20.66 C ATOM 695 CD1 PHE A 46 30.455 -1.487 32.043 1.00 22.76 C ATOM 696 CD2 PHE A 46 31.669 0.448 32.752 1.00 22.28 C ATOM 697 CE1 PHE A 46 31.460 -2.319 32.519 1.00 23.96 C ATOM 698 CE2 PHE A 46 32.689 -0.382 33.237 1.00 23.83 C ATOM 699 CZ PHE A 46 32.580 -1.766 33.117 1.00 22.87 C ATOM 700 HA PHE A 46 29.865 -0.067 29.636 1.00 0.00 H ATOM 701 HB2 PHE A 46 29.598 1.776 32.000 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.524 0.370 31.808 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.757 1.530 32.849 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.569 0.056 33.709 1.00 0.00 H ATOM 705 HZ PHE A 46 33.374 -2.411 33.493 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.368 -3.401 32.422 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.574 -1.926 31.576 1.00 0.00 H ATOM 708 H PHE A 46 30.614 2.824 30.144 1.00 0.00 H ATOM 709 N VAL A 47 27.494 0.493 28.893 1.00 20.65 N ATOM 710 CA VAL A 47 26.211 0.880 28.317 1.00 21.23 C ATOM 711 C VAL A 47 25.064 0.388 29.177 1.00 20.21 C ATOM 712 O VAL A 47 24.948 -0.799 29.448 1.00 20.71 O ATOM 713 CB VAL A 47 26.056 0.336 26.873 1.00 19.38 C ATOM 714 CG1 VAL A 47 24.764 0.862 26.235 1.00 18.36 C ATOM 715 CG2 VAL A 47 27.271 0.747 26.051 1.00 21.29 C ATOM 716 HA VAL A 47 26.185 1.969 28.281 1.00 0.00 H ATOM 717 HB VAL A 47 25.994 -0.752 26.901 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.909 0.539 26.829 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.794 1.951 26.202 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.674 0.469 25.222 1.00 0.00 H ATOM 721 HG21 VAL A 47 27.341 1.834 26.028 1.00 0.00 H ATOM 722 HG22 VAL A 47 28.172 0.333 26.504 1.00 0.00 H ATOM 723 HG23 VAL A 47 27.166 0.367 25.035 1.00 0.00 H ATOM 724 H VAL A 47 27.798 -0.501 28.857 1.00 0.00 H ATOM 725 N HIS A 48 24.210 1.318 29.593 1.00 23.12 N ATOM 726 CA HIS A 48 23.069 0.990 30.454 1.00 24.38 C ATOM 727 C HIS A 48 21.807 0.872 29.657 1.00 24.94 C ATOM 728 O HIS A 48 20.886 1.672 29.832 1.00 27.14 O ATOM 729 CB HIS A 48 22.852 2.065 31.520 1.00 23.90 C ATOM 730 CG HIS A 48 24.084 2.400 32.294 1.00 25.06 C ATOM 731 ND1 HIS A 48 24.707 1.495 33.124 1.00 26.92 N ATOM 732 CD2 HIS A 48 24.810 3.539 32.365 1.00 25.25 C ATOM 733 CE1 HIS A 48 25.763 2.061 33.677 1.00 26.37 C ATOM 734 NE2 HIS A 48 25.847 3.302 33.233 1.00 28.19 N ATOM 735 HA HIS A 48 23.301 0.037 30.929 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.497 2.971 31.028 1.00 0.00 H ATOM 737 HB3 HIS A 48 22.093 1.710 32.217 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.610 4.469 31.834 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.448 1.586 34.379 1.00 0.00 H ATOM 740 H HIS A 48 24.355 2.305 29.300 1.00 0.00 H ATOM 741 N GLU A 49 21.773 -0.112 28.771 1.00 24.55 N ATOM 742 CA GLU A 49 20.601 -0.362 27.936 1.00 26.06 C ATOM 743 C GLU A 49 20.476 -1.877 27.894 1.00 23.99 C ATOM 744 O GLU A 49 21.371 -2.573 28.360 1.00 24.48 O ATOM 745 CB GLU A 49 20.805 0.220 26.516 1.00 26.19 C ATOM 746 CG GLU A 49 21.038 1.754 26.472 1.00 28.21 C ATOM 747 CD GLU A 49 19.766 2.588 26.782 1.00 31.86 C ATOM 748 OE1 GLU A 49 18.641 2.035 26.756 1.00 31.08 O ATOM 749 OE2 GLU A 49 19.894 3.806 27.054 1.00 30.55 O ATOM 750 HA GLU A 49 19.702 0.112 28.330 1.00 0.00 H ATOM 751 HB2 GLU A 49 21.671 -0.268 26.070 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.917 -0.006 25.925 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.803 2.007 27.206 1.00 0.00 H ATOM 754 HG3 GLU A 49 21.390 2.020 25.475 1.00 0.00 H ATOM 755 H GLU A 49 22.606 -0.725 28.667 1.00 0.00 H ATOM 756 N SER A 50 19.376 -2.392 27.364 1.00 23.43 N ATOM 757 CA SER A 50 19.204 -3.832 27.282 1.00 22.87 C ATOM 758 C SER A 50 20.170 -4.411 26.274 1.00 23.58 C ATOM 759 O SER A 50 20.617 -3.733 25.342 1.00 23.45 O ATOM 760 CB SER A 50 17.786 -4.177 26.855 1.00 23.33 C ATOM 761 OG SER A 50 17.576 -3.826 25.502 1.00 27.86 O ATOM 762 HA SER A 50 19.398 -4.254 28.268 1.00 0.00 H ATOM 763 HB2 SER A 50 17.080 -3.631 27.481 1.00 0.00 H ATOM 764 HB3 SER A 50 17.625 -5.248 26.977 1.00 0.00 H ATOM 765 HG SER A 50 18.214 -4.323 24.931 1.00 0.00 H ATOM 766 H SER A 50 18.631 -1.761 27.005 1.00 0.00 H ATOM 767 N LEU A 51 20.496 -5.678 26.452 1.00 23.39 N ATOM 768 CA LEU A 51 21.413 -6.326 25.535 1.00 23.67 C ATOM 769 C LEU A 51 20.846 -6.332 24.117 1.00 24.39 C ATOM 770 O LEU A 51 21.581 -6.231 23.138 1.00 23.81 O ATOM 771 CB LEU A 51 21.660 -7.753 25.989 1.00 23.15 C ATOM 772 CG LEU A 51 22.422 -8.558 24.962 1.00 23.79 C ATOM 773 CD1 LEU A 51 23.754 -7.882 24.680 1.00 26.26 C ATOM 774 CD2 LEU A 51 22.616 -9.956 25.479 1.00 24.09 C ATOM 775 HA LEU A 51 22.351 -5.771 25.531 1.00 0.00 H ATOM 776 HB2 LEU A 51 22.235 -7.732 26.915 1.00 0.00 H ATOM 777 HB3 LEU A 51 20.699 -8.235 26.170 1.00 0.00 H ATOM 778 HG LEU A 51 21.863 -8.611 24.028 1.00 0.00 H ATOM 779 HD21 LEU A 51 23.180 -9.922 26.411 1.00 0.00 H ATOM 780 HD22 LEU A 51 21.643 -10.414 25.657 1.00 0.00 H ATOM 781 HD23 LEU A 51 23.165 -10.542 24.742 1.00 0.00 H ATOM 782 HD11 LEU A 51 23.576 -6.877 24.298 1.00 0.00 H ATOM 783 HD12 LEU A 51 24.333 -7.824 25.602 1.00 0.00 H ATOM 784 HD13 LEU A 51 24.305 -8.462 23.939 1.00 0.00 H ATOM 785 H LEU A 51 20.095 -6.211 27.250 1.00 0.00 H ATOM 786 N ALA A 52 19.525 -6.457 24.027 1.00 23.82 N ATOM 787 CA ALA A 52 18.822 -6.496 22.756 1.00 21.85 C ATOM 788 C ALA A 52 18.915 -5.152 22.043 1.00 21.36 C ATOM 789 O ALA A 52 19.078 -5.098 20.822 1.00 20.79 O ATOM 790 CB ALA A 52 17.374 -6.857 23.002 1.00 22.33 C ATOM 791 HA ALA A 52 19.285 -7.248 22.117 1.00 0.00 H ATOM 792 HB1 ALA A 52 17.321 -7.835 23.481 1.00 0.00 H ATOM 793 HB2 ALA A 52 16.919 -6.108 23.650 1.00 0.00 H ATOM 794 HB3 ALA A 52 16.842 -6.888 22.051 1.00 0.00 H ATOM 795 H ALA A 52 18.971 -6.530 24.904 1.00 0.00 H ATOM 796 N ASP A 53 18.813 -4.068 22.807 1.00 22.05 N ATOM 797 CA ASP A 53 18.890 -2.733 22.232 1.00 23.83 C ATOM 798 C ASP A 53 20.267 -2.429 21.682 1.00 24.77 C ATOM 799 O ASP A 53 20.411 -1.790 20.639 1.00 24.15 O ATOM 800 CB ASP A 53 18.520 -1.695 23.268 1.00 23.73 C ATOM 801 CG ASP A 53 17.046 -1.625 23.471 1.00 30.63 C ATOM 802 OD1 ASP A 53 16.328 -2.366 22.772 1.00 35.36 O ATOM 803 OD2 ASP A 53 16.589 -0.844 24.314 1.00 34.09 O ATOM 804 HA ASP A 53 18.182 -2.698 21.404 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.996 -1.953 24.214 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.879 -0.720 22.937 1.00 0.00 H ATOM 807 H ASP A 53 18.676 -4.176 23.832 1.00 0.00 H ATOM 808 N VAL A 54 21.288 -2.880 22.393 1.00 24.08 N ATOM 809 CA VAL A 54 22.640 -2.643 21.949 1.00 22.27 C ATOM 810 C VAL A 54 22.952 -3.534 20.747 1.00 20.94 C ATOM 811 O VAL A 54 23.649 -3.115 19.823 1.00 19.14 O ATOM 812 CB VAL A 54 23.626 -2.922 23.081 1.00 22.70 C ATOM 813 CG1 VAL A 54 25.049 -2.837 22.547 1.00 23.14 C ATOM 814 CG2 VAL A 54 23.386 -1.929 24.232 1.00 20.50 C ATOM 815 HA VAL A 54 22.738 -1.598 21.654 1.00 0.00 H ATOM 816 HB VAL A 54 23.475 -3.928 23.473 1.00 0.00 H ATOM 817 HG11 VAL A 54 25.184 -3.575 21.757 1.00 0.00 H ATOM 818 HG12 VAL A 54 25.227 -1.839 22.147 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.752 -3.036 23.356 1.00 0.00 H ATOM 820 HG21 VAL A 54 23.530 -0.912 23.868 1.00 0.00 H ATOM 821 HG22 VAL A 54 22.367 -2.043 24.602 1.00 0.00 H ATOM 822 HG23 VAL A 54 24.092 -2.131 25.038 1.00 0.00 H ATOM 823 H VAL A 54 21.115 -3.406 23.273 1.00 0.00 H ATOM 824 N GLN A 55 22.428 -4.758 20.755 1.00 20.54 N ATOM 825 CA GLN A 55 22.674 -5.677 19.648 1.00 20.23 C ATOM 826 C GLN A 55 22.026 -5.175 18.380 1.00 19.05 C ATOM 827 O GLN A 55 22.519 -5.405 17.288 1.00 19.30 O ATOM 828 CB GLN A 55 22.138 -7.056 19.968 1.00 20.82 C ATOM 829 CG GLN A 55 23.139 -7.887 20.705 1.00 27.04 C ATOM 830 CD GLN A 55 22.534 -9.151 21.241 1.00 29.31 C ATOM 831 OE1 GLN A 55 23.238 -10.091 21.594 1.00 31.63 O ATOM 832 NE2 GLN A 55 21.211 -9.180 21.313 1.00 34.22 N ATOM 833 HA GLN A 55 23.752 -5.735 19.501 1.00 0.00 H ATOM 834 HB2 GLN A 55 21.244 -6.953 20.583 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.880 -7.559 19.036 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.951 -8.146 20.025 1.00 0.00 H ATOM 837 HG3 GLN A 55 23.535 -7.305 21.537 1.00 0.00 H ATOM 838 HE22 GLN A 55 20.655 -8.358 21.002 1.00 0.00 H ATOM 839 HE21 GLN A 55 20.729 -10.025 21.681 1.00 0.00 H ATOM 840 H GLN A 55 21.839 -5.062 21.556 1.00 0.00 H ATOM 841 N ALA A 56 20.921 -4.470 18.537 1.00 18.93 N ATOM 842 CA ALA A 56 20.199 -3.933 17.398 1.00 19.06 C ATOM 843 C ALA A 56 21.003 -2.879 16.647 1.00 19.52 C ATOM 844 O ALA A 56 20.769 -2.650 15.467 1.00 20.09 O ATOM 845 CB ALA A 56 18.886 -3.335 17.867 1.00 18.26 C ATOM 846 HA ALA A 56 20.016 -4.756 16.707 1.00 0.00 H ATOM 847 HB1 ALA A 56 18.286 -4.109 18.346 1.00 0.00 H ATOM 848 HB2 ALA A 56 19.087 -2.536 18.580 1.00 0.00 H ATOM 849 HB3 ALA A 56 18.345 -2.932 17.011 1.00 0.00 H ATOM 850 H ALA A 56 20.560 -4.296 19.497 1.00 0.00 H ATOM 851 N VAL A 57 21.946 -2.237 17.328 1.00 18.58 N ATOM 852 CA VAL A 57 22.741 -1.194 16.697 1.00 17.65 C ATOM 853 C VAL A 57 23.510 -1.751 15.491 1.00 18.34 C ATOM 854 O VAL A 57 23.866 -1.011 14.579 1.00 17.72 O ATOM 855 CB VAL A 57 23.708 -0.524 17.728 1.00 16.10 C ATOM 856 CG1 VAL A 57 24.547 0.547 17.055 1.00 14.81 C ATOM 857 CG2 VAL A 57 22.900 0.095 18.883 1.00 16.01 C ATOM 858 HA VAL A 57 22.062 -0.423 16.333 1.00 0.00 H ATOM 859 HB VAL A 57 24.374 -1.290 18.125 1.00 0.00 H ATOM 860 HG11 VAL A 57 25.137 0.096 16.257 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.891 1.311 16.637 1.00 0.00 H ATOM 862 HG13 VAL A 57 25.213 1.000 17.790 1.00 0.00 H ATOM 863 HG21 VAL A 57 22.220 0.849 18.486 1.00 0.00 H ATOM 864 HG22 VAL A 57 22.327 -0.686 19.383 1.00 0.00 H ATOM 865 HG23 VAL A 57 23.583 0.559 19.595 1.00 0.00 H ATOM 866 H VAL A 57 22.118 -2.483 18.324 1.00 0.00 H ATOM 867 N CYS A 58 23.730 -3.060 15.455 1.00 18.90 N ATOM 868 CA CYS A 58 24.450 -3.652 14.330 1.00 19.92 C ATOM 869 C CYS A 58 23.697 -3.583 13.002 1.00 21.44 C ATOM 870 O CYS A 58 24.245 -3.918 11.967 1.00 20.52 O ATOM 871 CB CYS A 58 24.808 -5.108 14.624 1.00 21.39 C ATOM 872 SG CYS A 58 25.994 -5.306 15.991 1.00 21.78 S ATOM 873 HA CYS A 58 25.351 -3.049 14.218 1.00 0.00 H ATOM 874 HB2 CYS A 58 25.242 -5.545 13.725 1.00 0.00 H ATOM 875 HB3 CYS A 58 23.894 -5.643 14.881 1.00 0.00 H ATOM 876 H CYS A 58 23.389 -3.665 16.229 1.00 0.00 H ATOM 877 N SER A 59 22.436 -3.171 13.031 1.00 22.73 N ATOM 878 CA SER A 59 21.673 -3.037 11.797 1.00 23.33 C ATOM 879 C SER A 59 21.196 -1.598 11.659 1.00 22.70 C ATOM 880 O SER A 59 20.237 -1.314 10.949 1.00 21.49 O ATOM 881 CB SER A 59 20.482 -3.983 11.794 1.00 26.34 C ATOM 882 OG SER A 59 19.424 -3.420 12.527 1.00 35.03 O ATOM 883 HA SER A 59 22.313 -3.296 10.954 1.00 0.00 H ATOM 884 HB2 SER A 59 20.772 -4.931 12.247 1.00 0.00 H ATOM 885 HB3 SER A 59 20.159 -4.156 10.767 1.00 0.00 H ATOM 886 HG SER A 59 19.160 -2.559 12.115 1.00 0.00 H ATOM 887 H SER A 59 21.989 -2.942 13.942 1.00 0.00 H ATOM 888 N GLN A 60 21.884 -0.688 12.345 1.00 20.30 N ATOM 889 CA GLN A 60 21.538 0.708 12.285 1.00 19.63 C ATOM 890 C GLN A 60 22.473 1.483 11.361 1.00 20.99 C ATOM 891 O GLN A 60 22.882 0.948 10.335 1.00 22.03 O ATOM 892 CB GLN A 60 21.474 1.272 13.703 1.00 16.86 C ATOM 893 CG GLN A 60 20.251 0.691 14.393 1.00 20.85 C ATOM 894 CD GLN A 60 20.005 1.222 15.773 1.00 20.38 C ATOM 895 OE1 GLN A 60 20.378 2.346 16.103 1.00 21.96 O ATOM 896 NE2 GLN A 60 19.359 0.410 16.600 1.00 24.16 N ATOM 897 HA GLN A 60 20.549 0.821 11.841 1.00 0.00 H ATOM 898 HB2 GLN A 60 22.374 0.994 14.252 1.00 0.00 H ATOM 899 HB3 GLN A 60 21.395 2.358 13.665 1.00 0.00 H ATOM 900 HG2 GLN A 60 19.377 0.914 13.781 1.00 0.00 H ATOM 901 HG3 GLN A 60 20.379 -0.389 14.461 1.00 0.00 H ATOM 902 HE22 GLN A 60 19.062 -0.533 16.277 1.00 0.00 H ATOM 903 HE21 GLN A 60 19.149 0.717 17.571 1.00 0.00 H ATOM 904 H GLN A 60 22.685 -0.991 12.935 1.00 0.00 H ATOM 905 N LYS A 61 22.827 2.720 11.701 1.00 21.66 N ATOM 906 CA LYS A 61 23.650 3.520 10.800 1.00 21.39 C ATOM 907 C LYS A 61 25.084 3.066 10.584 1.00 20.56 C ATOM 908 O LYS A 61 25.919 3.170 11.480 1.00 20.68 O ATOM 909 CB LYS A 61 23.660 4.981 11.246 1.00 22.12 C ATOM 910 CG LYS A 61 24.535 5.867 10.347 1.00 26.32 C ATOM 911 CD LYS A 61 23.868 7.180 10.015 1.00 30.36 C ATOM 912 CE LYS A 61 24.780 8.342 10.305 1.00 32.50 C ATOM 913 NZ LYS A 61 24.097 9.378 11.139 1.00 37.83 N ATOM 914 HA LYS A 61 23.164 3.382 9.834 1.00 0.00 H ATOM 915 HB2 LYS A 61 22.638 5.360 11.223 1.00 0.00 H ATOM 916 HB3 LYS A 61 24.042 5.032 12.266 1.00 0.00 H ATOM 917 HG2 LYS A 61 25.474 6.071 10.862 1.00 0.00 H ATOM 918 HG3 LYS A 61 24.739 5.333 9.419 1.00 0.00 H ATOM 919 HD2 LYS A 61 23.606 7.189 8.957 1.00 0.00 H ATOM 920 HD3 LYS A 61 22.962 7.280 10.613 1.00 0.00 H ATOM 921 HE2 LYS A 61 25.090 8.793 9.363 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.658 7.979 10.839 1.00 0.00 H ATOM 923 HZ1 LYS A 61 23.261 9.733 10.633 1.00 0.00 H ATOM 924 HZ2 LYS A 61 23.803 8.955 12.043 1.00 0.00 H ATOM 925 HZ3 LYS A 61 24.754 10.164 11.320 1.00 0.00 H ATOM 926 H LYS A 61 22.516 3.117 12.611 1.00 0.00 H ATOM 927 N ASN A 62 25.380 2.585 9.379 1.00 19.73 N ATOM 928 CA ASN A 62 26.734 2.149 9.070 1.00 20.24 C ATOM 929 C ASN A 62 27.663 3.367 8.955 1.00 21.04 C ATOM 930 O ASN A 62 27.362 4.332 8.252 1.00 22.79 O ATOM 931 CB ASN A 62 26.747 1.362 7.771 1.00 20.85 C ATOM 932 CG ASN A 62 28.107 0.819 7.449 1.00 22.42 C ATOM 933 OD1 ASN A 62 28.575 0.968 6.335 1.00 28.59 O ATOM 934 ND2 ASN A 62 28.756 0.188 8.422 1.00 20.39 N ATOM 935 HA ASN A 62 27.089 1.505 9.875 1.00 0.00 H ATOM 936 HB2 ASN A 62 26.048 0.530 7.858 1.00 0.00 H ATOM 937 HB3 ASN A 62 26.430 2.018 6.960 1.00 0.00 H ATOM 938 HD22 ASN A 62 28.316 0.085 9.359 1.00 0.00 H ATOM 939 HD21 ASN A 62 29.704 -0.203 8.247 1.00 0.00 H ATOM 940 H ASN A 62 24.638 2.520 8.653 1.00 0.00 H ATOM 941 N VAL A 63 28.776 3.336 9.670 1.00 19.28 N ATOM 942 CA VAL A 63 29.716 4.443 9.648 1.00 18.57 C ATOM 943 C VAL A 63 31.122 3.850 9.621 1.00 19.85 C ATOM 944 O VAL A 63 31.307 2.654 9.858 1.00 20.51 O ATOM 945 CB VAL A 63 29.573 5.344 10.919 1.00 18.05 C ATOM 946 CG1 VAL A 63 28.206 6.016 10.954 1.00 17.90 C ATOM 947 CG2 VAL A 63 29.751 4.501 12.183 1.00 17.61 C ATOM 948 HA VAL A 63 29.519 5.063 8.774 1.00 0.00 H ATOM 949 HB VAL A 63 30.345 6.112 10.878 1.00 0.00 H ATOM 950 HG11 VAL A 63 28.085 6.637 10.066 1.00 0.00 H ATOM 951 HG12 VAL A 63 27.428 5.253 10.974 1.00 0.00 H ATOM 952 HG13 VAL A 63 28.131 6.637 11.847 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.990 3.722 12.209 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.741 4.044 12.177 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.649 5.139 13.061 1.00 0.00 H ATOM 956 H VAL A 63 28.981 2.504 10.259 1.00 0.00 H ATOM 957 N ALA A 64 32.110 4.686 9.323 1.00 19.51 N ATOM 958 CA ALA A 64 33.491 4.233 9.278 1.00 19.89 C ATOM 959 C ALA A 64 34.049 4.094 10.686 1.00 19.24 C ATOM 960 O ALA A 64 33.812 4.933 11.554 1.00 19.13 O ATOM 961 CB ALA A 64 34.350 5.215 8.477 1.00 19.60 C ATOM 962 HA ALA A 64 33.516 3.260 8.788 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.966 5.285 7.459 1.00 0.00 H ATOM 964 HB2 ALA A 64 34.313 6.197 8.949 1.00 0.00 H ATOM 965 HB3 ALA A 64 35.380 4.860 8.454 1.00 0.00 H ATOM 966 H ALA A 64 31.892 5.682 9.118 1.00 0.00 H ATOM 967 N CYS A 65 34.799 3.024 10.899 1.00 19.38 N ATOM 968 CA CYS A 65 35.428 2.768 12.181 1.00 19.74 C ATOM 969 C CYS A 65 36.674 3.633 12.268 1.00 19.58 C ATOM 970 O CYS A 65 37.259 3.986 11.239 1.00 19.50 O ATOM 971 CB CYS A 65 35.863 1.310 12.274 1.00 19.72 C ATOM 972 SG CYS A 65 34.542 0.086 12.165 1.00 19.18 S ATOM 973 HA CYS A 65 34.724 2.989 12.983 1.00 0.00 H ATOM 974 HB2 CYS A 65 36.369 1.172 13.230 1.00 0.00 H ATOM 975 HB3 CYS A 65 36.565 1.118 11.462 1.00 0.00 H ATOM 976 H CYS A 65 34.942 2.346 10.123 1.00 0.00 H ATOM 977 N LYS A 66 37.084 3.942 13.495 1.00 20.86 N ATOM 978 CA LYS A 66 38.278 4.743 13.730 1.00 23.59 C ATOM 979 C LYS A 66 39.498 4.090 13.072 1.00 24.08 C ATOM 980 O LYS A 66 40.444 4.777 12.683 1.00 24.35 O ATOM 981 CB LYS A 66 38.524 4.902 15.233 1.00 25.16 C ATOM 982 CG LYS A 66 37.672 5.967 15.915 1.00 29.59 C ATOM 983 CD LYS A 66 37.584 5.735 17.436 1.00 34.94 C ATOM 984 CE LYS A 66 37.987 6.978 18.244 1.00 38.27 C ATOM 985 NZ LYS A 66 37.249 7.099 19.547 1.00 41.90 N ATOM 986 HA LYS A 66 38.123 5.728 13.289 1.00 0.00 H ATOM 987 HB2 LYS A 66 38.318 3.945 15.713 1.00 0.00 H ATOM 988 HB3 LYS A 66 39.572 5.162 15.379 1.00 0.00 H ATOM 989 HG2 LYS A 66 38.115 6.946 15.731 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.667 5.940 15.494 1.00 0.00 H ATOM 991 HD2 LYS A 66 36.558 5.469 17.691 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.248 4.913 17.704 1.00 0.00 H ATOM 993 HE2 LYS A 66 37.780 7.864 17.644 1.00 0.00 H ATOM 994 HE3 LYS A 66 39.055 6.924 18.454 1.00 0.00 H ATOM 995 HZ1 LYS A 66 36.228 7.161 19.361 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.446 6.263 20.134 1.00 0.00 H ATOM 997 HZ3 LYS A 66 37.565 7.956 20.045 1.00 0.00 H ATOM 998 H LYS A 66 36.536 3.602 14.311 1.00 0.00 H ATOM 999 N ASN A 67 39.459 2.765 12.928 1.00 25.55 N ATOM 1000 CA ASN A 67 40.562 2.018 12.325 1.00 26.36 C ATOM 1001 C ASN A 67 40.484 1.838 10.803 1.00 27.66 C ATOM 1002 O ASN A 67 41.334 1.159 10.210 1.00 29.85 O ATOM 1003 CB ASN A 67 40.705 0.650 13.009 1.00 25.96 C ATOM 1004 CG ASN A 67 39.696 -0.388 12.509 1.00 26.48 C ATOM 1005 OD1 ASN A 67 38.665 -0.065 11.920 1.00 25.70 O ATOM 1006 ND2 ASN A 67 40.003 -1.657 12.757 1.00 28.81 N ATOM 1007 HA ASN A 67 41.445 2.635 12.491 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.710 0.273 12.822 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.562 0.783 14.081 1.00 0.00 H ATOM 1010 HD22 ASN A 67 40.884 -1.891 13.258 1.00 0.00 H ATOM 1011 HD21 ASN A 67 39.362 -2.417 12.450 1.00 0.00 H ATOM 1012 H ASN A 67 38.618 2.247 13.255 1.00 0.00 H ATOM 1013 N GLY A 68 39.482 2.434 10.162 1.00 24.92 N ATOM 1014 CA GLY A 68 39.394 2.303 8.726 1.00 23.44 C ATOM 1015 C GLY A 68 38.505 1.183 8.239 1.00 24.92 C ATOM 1016 O GLY A 68 38.132 1.155 7.076 1.00 26.04 O ATOM 1017 HA3 GLY A 68 40.399 2.130 8.340 1.00 0.00 H ATOM 1018 HA2 GLY A 68 39.008 3.240 8.324 1.00 0.00 H ATOM 1019 H GLY A 68 38.773 2.986 10.686 1.00 0.00 H ATOM 1020 N GLN A 69 38.175 0.242 9.111 1.00 26.10 N ATOM 1021 CA GLN A 69 37.286 -0.841 8.724 1.00 26.21 C ATOM 1022 C GLN A 69 35.901 -0.236 8.567 1.00 24.21 C ATOM 1023 O GLN A 69 35.672 0.907 8.948 1.00 24.43 O ATOM 1024 CB GLN A 69 37.268 -1.916 9.793 1.00 29.63 C ATOM 1025 CG GLN A 69 38.521 -2.766 9.778 1.00 36.97 C ATOM 1026 CD GLN A 69 38.379 -4.009 10.644 1.00 40.11 C ATOM 1027 OE1 GLN A 69 38.612 -3.956 11.848 1.00 42.33 O ATOM 1028 NE2 GLN A 69 37.985 -5.131 10.034 1.00 43.36 N ATOM 1029 HA GLN A 69 37.619 -1.305 7.796 1.00 0.00 H ATOM 1030 HB2 GLN A 69 37.180 -1.438 10.769 1.00 0.00 H ATOM 1031 HB3 GLN A 69 36.405 -2.561 9.627 1.00 0.00 H ATOM 1032 HG2 GLN A 69 38.726 -3.073 8.752 1.00 0.00 H ATOM 1033 HG3 GLN A 69 39.355 -2.171 10.151 1.00 0.00 H ATOM 1034 HE22 GLN A 69 37.799 -5.129 9.011 1.00 0.00 H ATOM 1035 HE21 GLN A 69 37.865 -6.006 10.583 1.00 0.00 H ATOM 1036 H GLN A 69 38.554 0.278 10.079 1.00 0.00 H ATOM 1037 N THR A 70 34.965 -0.992 8.023 1.00 23.19 N ATOM 1038 CA THR A 70 33.645 -0.434 7.818 1.00 23.48 C ATOM 1039 C THR A 70 32.540 -1.173 8.527 1.00 22.11 C ATOM 1040 O THR A 70 31.358 -0.974 8.239 1.00 24.10 O ATOM 1041 CB THR A 70 33.340 -0.384 6.347 1.00 26.81 C ATOM 1042 OG1 THR A 70 33.629 -1.661 5.758 1.00 30.24 O ATOM 1043 CG2 THR A 70 34.199 0.682 5.695 1.00 28.70 C ATOM 1044 HA THR A 70 33.674 0.565 8.252 1.00 0.00 H ATOM 1045 HB THR A 70 32.287 -0.146 6.197 1.00 0.00 H ATOM 1046 HG1 THR A 70 33.428 -1.629 4.789 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.977 1.650 6.144 1.00 0.00 H ATOM 1048 HG21 THR A 70 35.251 0.442 5.847 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.983 0.718 4.627 1.00 0.00 H ATOM 1050 H THR A 70 35.173 -1.973 7.746 1.00 0.00 H ATOM 1051 N ASN A 71 32.912 -2.013 9.474 1.00 19.87 N ATOM 1052 CA ASN A 71 31.917 -2.767 10.193 1.00 18.84 C ATOM 1053 C ASN A 71 31.454 -2.048 11.453 1.00 18.71 C ATOM 1054 O ASN A 71 31.202 -2.689 12.464 1.00 16.65 O ATOM 1055 CB ASN A 71 32.470 -4.145 10.545 1.00 19.32 C ATOM 1056 CG ASN A 71 33.680 -4.066 11.435 1.00 20.44 C ATOM 1057 OD1 ASN A 71 34.517 -3.173 11.292 1.00 22.31 O ATOM 1058 ND2 ASN A 71 33.789 -5.005 12.364 1.00 21.08 N ATOM 1059 HA ASN A 71 31.048 -2.874 9.544 1.00 0.00 H ATOM 1060 HB2 ASN A 71 31.694 -4.714 11.058 1.00 0.00 H ATOM 1061 HB3 ASN A 71 32.746 -4.658 9.624 1.00 0.00 H ATOM 1062 HD22 ASN A 71 33.058 -5.740 12.449 1.00 0.00 H ATOM 1063 HD21 ASN A 71 34.605 -5.007 13.008 1.00 0.00 H ATOM 1064 H ASN A 71 33.920 -2.130 9.701 1.00 0.00 H ATOM 1065 N CYS A 72 31.343 -0.721 11.397 1.00 18.24 N ATOM 1066 CA CYS A 72 30.877 0.032 12.563 1.00 17.24 C ATOM 1067 C CYS A 72 29.507 0.622 12.313 1.00 17.85 C ATOM 1068 O CYS A 72 29.157 0.967 11.173 1.00 18.72 O ATOM 1069 CB CYS A 72 31.851 1.152 12.935 1.00 19.38 C ATOM 1070 SG CYS A 72 33.372 0.551 13.743 1.00 18.91 S ATOM 1071 HA CYS A 72 30.820 -0.671 13.394 1.00 0.00 H ATOM 1072 HB2 CYS A 72 31.346 1.838 13.615 1.00 0.00 H ATOM 1073 HB3 CYS A 72 32.130 1.684 12.025 1.00 0.00 H ATOM 1074 H CYS A 72 31.589 -0.218 10.521 1.00 0.00 H ATOM 1075 N TYR A 73 28.734 0.727 13.390 1.00 17.37 N ATOM 1076 CA TYR A 73 27.380 1.252 13.324 1.00 16.96 C ATOM 1077 C TYR A 73 27.108 2.180 14.457 1.00 16.85 C ATOM 1078 O TYR A 73 27.515 1.942 15.597 1.00 15.97 O ATOM 1079 CB TYR A 73 26.357 0.118 13.362 1.00 17.68 C ATOM 1080 CG TYR A 73 26.643 -0.905 12.296 1.00 18.18 C ATOM 1081 CD1 TYR A 73 27.622 -1.877 12.493 1.00 17.27 C ATOM 1082 CD2 TYR A 73 26.009 -0.846 11.057 1.00 17.74 C ATOM 1083 CE1 TYR A 73 27.970 -2.756 11.488 1.00 19.49 C ATOM 1084 CE2 TYR A 73 26.353 -1.729 10.033 1.00 19.58 C ATOM 1085 CZ TYR A 73 27.339 -2.681 10.259 1.00 20.49 C ATOM 1086 OH TYR A 73 27.717 -3.558 9.265 1.00 20.83 O ATOM 1087 HA TYR A 73 27.290 1.796 12.384 1.00 0.00 H ATOM 1088 HB3 TYR A 73 25.361 0.531 13.202 1.00 0.00 H ATOM 1089 HB2 TYR A 73 26.396 -0.365 14.339 1.00 0.00 H ATOM 1090 HD2 TYR A 73 25.233 -0.100 10.885 1.00 0.00 H ATOM 1091 HE2 TYR A 73 25.853 -1.672 9.066 1.00 0.00 H ATOM 1092 HE1 TYR A 73 28.740 -3.508 11.662 1.00 0.00 H ATOM 1093 HD1 TYR A 73 28.122 -1.944 13.459 1.00 0.00 H ATOM 1094 HH TYR A 73 28.426 -4.158 9.608 1.00 0.00 H ATOM 1095 H TYR A 73 29.111 0.423 14.311 1.00 0.00 H ATOM 1096 N GLN A 74 26.402 3.245 14.132 1.00 18.12 N ATOM 1097 CA GLN A 74 26.035 4.230 15.119 1.00 19.48 C ATOM 1098 C GLN A 74 24.549 4.062 15.474 1.00 20.48 C ATOM 1099 O GLN A 74 23.705 3.838 14.595 1.00 19.72 O ATOM 1100 CB GLN A 74 26.308 5.621 14.562 1.00 18.36 C ATOM 1101 CG GLN A 74 26.055 6.728 15.553 1.00 21.91 C ATOM 1102 CD GLN A 74 26.158 8.068 14.890 1.00 25.90 C ATOM 1103 OE1 GLN A 74 27.125 8.345 14.195 1.00 28.75 O ATOM 1104 NE2 GLN A 74 25.160 8.906 15.089 1.00 31.33 N ATOM 1105 HA GLN A 74 26.625 4.096 16.026 1.00 0.00 H ATOM 1106 HB2 GLN A 74 27.351 5.669 14.250 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.664 5.779 13.697 1.00 0.00 H ATOM 1108 HG2 GLN A 74 25.055 6.612 15.972 1.00 0.00 H ATOM 1109 HG3 GLN A 74 26.792 6.667 16.353 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.358 8.626 15.689 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.175 9.847 14.646 1.00 0.00 H ATOM 1112 H GLN A 74 26.104 3.377 13.144 1.00 0.00 H ATOM 1113 N SER A 75 24.236 4.146 16.764 1.00 20.30 N ATOM 1114 CA SER A 75 22.853 4.010 17.204 1.00 19.44 C ATOM 1115 C SER A 75 22.046 5.226 16.743 1.00 18.69 C ATOM 1116 O SER A 75 22.535 6.357 16.776 1.00 19.37 O ATOM 1117 CB SER A 75 22.793 3.884 18.740 1.00 17.94 C ATOM 1118 OG SER A 75 23.231 5.073 19.383 1.00 17.54 O ATOM 1119 HA SER A 75 22.425 3.109 16.765 1.00 0.00 H ATOM 1120 HB2 SER A 75 23.432 3.058 19.052 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.765 3.679 19.038 1.00 0.00 H ATOM 1122 HG SER A 75 22.652 5.828 19.109 1.00 0.00 H ATOM 1123 H SER A 75 24.986 4.310 17.466 1.00 0.00 H ATOM 1124 N TYR A 76 20.814 5.004 16.307 1.00 18.17 N ATOM 1125 CA TYR A 76 19.986 6.124 15.872 1.00 19.67 C ATOM 1126 C TYR A 76 19.596 7.003 17.049 1.00 20.81 C ATOM 1127 O TYR A 76 19.534 8.231 16.940 1.00 22.56 O ATOM 1128 CB TYR A 76 18.742 5.609 15.150 1.00 18.27 C ATOM 1129 CG TYR A 76 19.069 5.068 13.773 1.00 18.19 C ATOM 1130 CD1 TYR A 76 19.741 5.853 12.836 1.00 17.46 C ATOM 1131 CD2 TYR A 76 18.720 3.781 13.411 1.00 17.70 C ATOM 1132 CE1 TYR A 76 20.052 5.364 11.572 1.00 17.68 C ATOM 1133 CE2 TYR A 76 19.031 3.282 12.141 1.00 19.13 C ATOM 1134 CZ TYR A 76 19.693 4.080 11.233 1.00 17.78 C ATOM 1135 OH TYR A 76 19.992 3.590 9.988 1.00 21.99 O ATOM 1136 HA TYR A 76 20.568 6.732 15.179 1.00 0.00 H ATOM 1137 HB3 TYR A 76 18.030 6.428 15.047 1.00 0.00 H ATOM 1138 HB2 TYR A 76 18.294 4.813 15.744 1.00 0.00 H ATOM 1139 HD2 TYR A 76 18.195 3.146 14.124 1.00 0.00 H ATOM 1140 HE2 TYR A 76 18.750 2.264 11.870 1.00 0.00 H ATOM 1141 HE1 TYR A 76 20.577 5.994 10.854 1.00 0.00 H ATOM 1142 HD1 TYR A 76 20.028 6.871 13.100 1.00 0.00 H ATOM 1143 HH TYR A 76 20.573 2.793 10.079 1.00 0.00 H ATOM 1144 H TYR A 76 20.439 4.035 16.275 1.00 0.00 H ATOM 1145 N SER A 77 19.345 6.378 18.189 1.00 22.65 N ATOM 1146 CA SER A 77 18.988 7.138 19.371 1.00 24.00 C ATOM 1147 C SER A 77 20.154 7.180 20.346 1.00 23.92 C ATOM 1148 O SER A 77 21.115 6.419 20.242 1.00 23.02 O ATOM 1149 CB SER A 77 17.782 6.506 20.052 1.00 26.74 C ATOM 1150 OG SER A 77 18.053 5.145 20.332 1.00 33.01 O ATOM 1151 HA SER A 77 18.742 8.155 19.066 1.00 0.00 H ATOM 1152 HB2 SER A 77 16.916 6.576 19.394 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.573 7.033 20.983 1.00 0.00 H ATOM 1154 HG SER A 77 18.242 4.667 19.486 1.00 0.00 H ATOM 1155 H SER A 77 19.404 5.341 18.237 1.00 0.00 H ATOM 1156 N THR A 78 20.074 8.101 21.289 1.00 24.33 N ATOM 1157 CA THR A 78 21.107 8.205 22.296 1.00 24.76 C ATOM 1158 C THR A 78 20.833 7.123 23.348 1.00 24.35 C ATOM 1159 O THR A 78 19.693 6.666 23.533 1.00 23.12 O ATOM 1160 CB THR A 78 21.105 9.601 22.967 1.00 24.85 C ATOM 1161 OG1 THR A 78 19.793 9.885 23.471 1.00 26.37 O ATOM 1162 CG2 THR A 78 21.500 10.671 21.961 1.00 22.77 C ATOM 1163 HA THR A 78 22.085 8.069 21.834 1.00 0.00 H ATOM 1164 HB THR A 78 21.825 9.601 23.785 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.792 10.777 23.900 1.00 0.00 H ATOM 1166 HG23 THR A 78 22.497 10.456 21.577 1.00 0.00 H ATOM 1167 HG21 THR A 78 20.785 10.675 21.138 1.00 0.00 H ATOM 1168 HG22 THR A 78 21.499 11.645 22.450 1.00 0.00 H ATOM 1169 H THR A 78 19.265 8.754 21.308 1.00 0.00 H ATOM 1170 N MET A 79 21.891 6.698 24.020 1.00 22.90 N ATOM 1171 CA MET A 79 21.772 5.678 25.037 1.00 22.52 C ATOM 1172 C MET A 79 22.464 6.179 26.275 1.00 23.00 C ATOM 1173 O MET A 79 23.308 7.082 26.203 1.00 23.14 O ATOM 1174 CB MET A 79 22.448 4.384 24.583 1.00 22.62 C ATOM 1175 CG MET A 79 21.856 3.780 23.324 1.00 25.70 C ATOM 1176 SD MET A 79 22.578 2.194 22.946 1.00 26.70 S ATOM 1177 CE MET A 79 21.419 1.541 21.716 1.00 28.74 C ATOM 1178 HA MET A 79 20.719 5.472 25.227 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.501 4.595 24.398 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.361 3.653 25.387 1.00 0.00 H ATOM 1181 HG2 MET A 79 22.036 4.458 22.489 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.782 3.655 23.464 1.00 0.00 H ATOM 1183 HE1 MET A 79 20.426 1.465 22.159 1.00 0.00 H ATOM 1184 HE2 MET A 79 21.386 2.212 20.858 1.00 0.00 H ATOM 1185 HE3 MET A 79 21.751 0.554 21.394 1.00 0.00 H ATOM 1186 H MET A 79 22.825 7.105 23.812 1.00 0.00 H ATOM 1187 N SER A 80 22.095 5.589 27.407 1.00 22.69 N ATOM 1188 CA SER A 80 22.691 5.930 28.694 1.00 22.59 C ATOM 1189 C SER A 80 24.016 5.191 28.806 1.00 20.62 C ATOM 1190 O SER A 80 24.044 3.957 28.787 1.00 19.88 O ATOM 1191 CB SER A 80 21.783 5.495 29.836 1.00 23.70 C ATOM 1192 OG SER A 80 22.263 6.016 31.057 1.00 26.31 O ATOM 1193 HA SER A 80 22.835 7.009 28.757 1.00 0.00 H ATOM 1194 HB2 SER A 80 21.765 4.406 29.889 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.774 5.865 29.657 1.00 0.00 H ATOM 1196 HG SER A 80 21.667 5.729 31.794 1.00 0.00 H ATOM 1197 H SER A 80 21.355 4.859 27.374 1.00 0.00 H ATOM 1198 N ILE A 81 25.103 5.951 28.909 1.00 20.32 N ATOM 1199 CA ILE A 81 26.435 5.369 29.016 1.00 22.73 C ATOM 1200 C ILE A 81 27.229 5.998 30.144 1.00 24.63 C ATOM 1201 O ILE A 81 26.962 7.119 30.578 1.00 25.96 O ATOM 1202 CB ILE A 81 27.270 5.562 27.721 1.00 22.41 C ATOM 1203 CG1 ILE A 81 27.458 7.056 27.436 1.00 23.58 C ATOM 1204 CG2 ILE A 81 26.596 4.850 26.544 1.00 23.26 C ATOM 1205 CD1 ILE A 81 28.546 7.361 26.410 1.00 24.96 C ATOM 1206 HA ILE A 81 26.268 4.308 29.201 1.00 0.00 H ATOM 1207 HB ILE A 81 28.255 5.117 27.860 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.514 7.456 27.064 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.719 7.553 28.370 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.501 6.979 26.771 1.00 0.00 H ATOM 1211 HD12 ILE A 81 28.296 6.882 25.464 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.615 8.439 26.265 1.00 0.00 H ATOM 1213 HG21 ILE A 81 26.517 3.785 26.762 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.600 5.266 26.392 1.00 0.00 H ATOM 1215 HG23 ILE A 81 27.193 4.994 25.644 1.00 0.00 H ATOM 1216 H ILE A 81 25.000 6.986 28.913 1.00 0.00 H ATOM 1217 N THR A 82 28.214 5.260 30.625 1.00 24.73 N ATOM 1218 CA THR A 82 29.084 5.770 31.670 1.00 23.91 C ATOM 1219 C THR A 82 30.512 5.608 31.179 1.00 22.79 C ATOM 1220 O THR A 82 30.951 4.503 30.876 1.00 23.04 O ATOM 1221 CB THR A 82 28.931 4.991 32.994 1.00 22.89 C ATOM 1222 OG1 THR A 82 27.599 5.147 33.507 1.00 23.20 O ATOM 1223 CG2 THR A 82 29.938 5.510 34.016 1.00 23.56 C ATOM 1224 HA THR A 82 28.823 6.809 31.870 1.00 0.00 H ATOM 1225 HB THR A 82 29.118 3.934 32.806 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.949 4.798 32.847 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.948 5.390 33.623 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.746 6.565 34.210 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.838 4.945 34.942 1.00 0.00 H ATOM 1230 H THR A 82 28.368 4.302 30.251 1.00 0.00 H ATOM 1231 N ASP A 83 31.219 6.718 31.056 1.00 23.84 N ATOM 1232 CA ASP A 83 32.614 6.681 30.640 1.00 25.00 C ATOM 1233 C ASP A 83 33.501 6.608 31.902 1.00 25.79 C ATOM 1234 O ASP A 83 33.294 7.357 32.867 1.00 22.69 O ATOM 1235 CB ASP A 83 32.978 7.942 29.859 1.00 25.04 C ATOM 1236 CG ASP A 83 32.582 7.872 28.422 1.00 27.77 C ATOM 1237 OD1 ASP A 83 32.552 6.759 27.862 1.00 28.54 O ATOM 1238 OD2 ASP A 83 32.301 8.946 27.850 1.00 32.83 O ATOM 1239 HA ASP A 83 32.771 5.812 30.001 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.474 8.793 30.318 1.00 0.00 H ATOM 1241 HB3 ASP A 83 34.057 8.087 29.916 1.00 0.00 H ATOM 1242 H ASP A 83 30.771 7.634 31.260 1.00 0.00 H ATOM 1243 N CYS A 84 34.472 5.693 31.884 1.00 25.78 N ATOM 1244 CA CYS A 84 35.417 5.525 32.982 1.00 26.91 C ATOM 1245 C CYS A 84 36.786 5.845 32.424 1.00 28.30 C ATOM 1246 O CYS A 84 37.280 5.140 31.549 1.00 28.25 O ATOM 1247 CB CYS A 84 35.428 4.087 33.488 1.00 24.76 C ATOM 1248 SG CYS A 84 33.869 3.520 34.222 1.00 26.24 S ATOM 1249 HA CYS A 84 35.139 6.173 33.813 1.00 0.00 H ATOM 1250 HB2 CYS A 84 36.209 4.000 34.243 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.663 3.434 32.647 1.00 0.00 H ATOM 1252 H CYS A 84 34.558 5.074 31.053 1.00 0.00 H ATOM 1253 N ARG A 85 37.387 6.923 32.914 1.00 32.17 N ATOM 1254 CA ARG A 85 38.718 7.327 32.475 1.00 35.80 C ATOM 1255 C ARG A 85 39.664 7.321 33.670 1.00 35.13 C ATOM 1256 O ARG A 85 39.302 7.686 34.795 1.00 31.86 O ATOM 1257 CB ARG A 85 38.691 8.715 31.806 1.00 40.80 C ATOM 1258 CG ARG A 85 38.029 9.836 32.619 1.00 51.27 C ATOM 1259 CD ARG A 85 37.413 10.945 31.721 1.00 58.91 C ATOM 1260 NE ARG A 85 38.390 11.943 31.256 1.00 65.17 N ATOM 1261 CZ ARG A 85 38.080 13.063 30.596 1.00 66.90 C ATOM 1262 NH1 ARG A 85 36.810 13.344 30.315 1.00 66.90 N ATOM 1263 NH2 ARG A 85 39.044 13.898 30.199 1.00 67.78 N ATOM 1264 HA ARG A 85 39.073 6.616 31.729 1.00 0.00 H ATOM 1265 HB2 ARG A 85 39.721 9.010 31.606 1.00 0.00 H ATOM 1266 HB3 ARG A 85 38.152 8.622 30.863 1.00 0.00 H ATOM 1267 HG2 ARG A 85 37.238 9.403 33.231 1.00 0.00 H ATOM 1268 HG3 ARG A 85 38.781 10.288 33.266 1.00 0.00 H ATOM 1269 HD2 ARG A 85 36.640 11.460 32.292 1.00 0.00 H ATOM 1270 HD3 ARG A 85 36.964 10.471 30.848 1.00 0.00 H ATOM 1271 HE ARG A 85 39.395 11.763 31.456 1.00 0.00 H ATOM 1272 HH12 ARG A 85 36.572 14.216 29.801 1.00 0.00 H ATOM 1273 HH11 ARG A 85 36.056 12.691 30.609 1.00 0.00 H ATOM 1274 HH22 ARG A 85 38.799 14.769 29.686 1.00 0.00 H ATOM 1275 HH21 ARG A 85 40.040 13.678 30.403 1.00 0.00 H ATOM 1276 H ARG A 85 36.895 7.495 33.630 1.00 0.00 H ATOM 1277 N GLU A 86 40.879 6.872 33.414 1.00 36.47 N ATOM 1278 CA GLU A 86 41.891 6.786 34.448 1.00 40.45 C ATOM 1279 C GLU A 86 42.319 8.183 34.898 1.00 42.10 C ATOM 1280 O GLU A 86 42.453 9.084 34.069 1.00 42.40 O ATOM 1281 CB GLU A 86 43.089 6.028 33.893 1.00 39.21 C ATOM 1282 CG GLU A 86 43.689 4.995 34.819 1.00 40.83 C ATOM 1283 CD GLU A 86 45.114 4.629 34.409 1.00 41.01 C ATOM 1284 OE1 GLU A 86 45.557 5.112 33.339 1.00 40.64 O ATOM 1285 OE2 GLU A 86 45.786 3.867 35.146 1.00 40.38 O ATOM 1286 HA GLU A 86 41.484 6.262 35.313 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.773 5.520 32.982 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.865 6.755 33.652 1.00 0.00 H ATOM 1289 HG2 GLU A 86 43.704 5.395 35.833 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.072 4.097 34.794 1.00 0.00 H ATOM 1291 H GLU A 86 41.116 6.573 32.447 1.00 0.00 H ATOM 1292 N THR A 87 42.508 8.360 36.207 1.00 43.06 N ATOM 1293 CA THR A 87 42.964 9.636 36.767 1.00 45.90 C ATOM 1294 C THR A 87 44.500 9.570 36.867 1.00 47.67 C ATOM 1295 O THR A 87 45.067 8.483 36.980 1.00 48.18 O ATOM 1296 CB THR A 87 42.369 9.888 38.178 1.00 45.55 C ATOM 1297 OG1 THR A 87 42.869 8.912 39.101 1.00 43.72 O ATOM 1298 CG2 THR A 87 40.857 9.801 38.139 1.00 43.56 C ATOM 1299 HA THR A 87 42.635 10.452 36.123 1.00 0.00 H ATOM 1300 HB THR A 87 42.664 10.887 38.501 1.00 0.00 H ATOM 1301 HG1 THR A 87 43.856 8.977 39.146 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.470 10.541 37.439 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.560 8.803 37.816 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.457 9.997 39.134 1.00 0.00 H ATOM 1305 H THR A 87 42.326 7.565 36.852 1.00 0.00 H ATOM 1306 N GLY A 88 45.172 10.719 36.807 1.00 50.67 N ATOM 1307 CA GLY A 88 46.630 10.736 36.887 1.00 50.79 C ATOM 1308 C GLY A 88 47.166 10.146 38.184 1.00 51.33 C ATOM 1309 O GLY A 88 48.242 9.543 38.207 1.00 52.41 O ATOM 1310 HA3 GLY A 88 46.970 11.769 36.809 1.00 0.00 H ATOM 1311 HA2 GLY A 88 47.030 10.160 36.053 1.00 0.00 H ATOM 1312 H GLY A 88 44.652 11.614 36.702 1.00 0.00 H ATOM 1313 N SER A 89 46.416 10.323 39.268 1.00 50.59 N ATOM 1314 CA SER A 89 46.804 9.799 40.571 1.00 51.31 C ATOM 1315 C SER A 89 46.416 8.334 40.627 1.00 51.14 C ATOM 1316 O SER A 89 45.996 7.824 41.666 1.00 51.67 O ATOM 1317 CB SER A 89 46.070 10.551 41.671 1.00 52.32 C ATOM 1318 OG SER A 89 44.879 11.108 41.153 1.00 54.56 O ATOM 1319 HA SER A 89 47.878 9.919 40.715 1.00 0.00 H ATOM 1320 HB2 SER A 89 46.707 11.349 42.053 1.00 0.00 H ATOM 1321 HB3 SER A 89 45.827 9.863 42.481 1.00 0.00 H ATOM 1322 HG SER A 89 44.405 11.596 41.872 1.00 0.00 H ATOM 1323 H SER A 89 45.525 10.852 39.183 1.00 0.00 H ATOM 1324 N SER A 90 46.542 7.662 39.490 1.00 49.74 N ATOM 1325 CA SER A 90 46.193 6.257 39.397 1.00 47.73 C ATOM 1326 C SER A 90 47.437 5.489 38.983 1.00 46.47 C ATOM 1327 O SER A 90 48.084 5.840 37.999 1.00 46.91 O ATOM 1328 CB SER A 90 45.071 6.066 38.368 1.00 46.73 C ATOM 1329 OG SER A 90 44.829 4.698 38.092 1.00 45.39 O ATOM 1330 HA SER A 90 45.835 5.887 40.358 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.354 6.567 37.442 1.00 0.00 H ATOM 1332 HB3 SER A 90 44.157 6.514 38.757 1.00 0.00 H ATOM 1333 HG SER A 90 44.101 4.621 37.426 1.00 0.00 H ATOM 1334 H SER A 90 46.899 8.154 38.646 1.00 0.00 H ATOM 1335 N LYS A 91 47.764 4.449 39.747 1.00 44.60 N ATOM 1336 CA LYS A 91 48.935 3.615 39.490 1.00 43.41 C ATOM 1337 C LYS A 91 48.649 2.140 39.752 1.00 41.92 C ATOM 1338 O LYS A 91 48.223 1.757 40.844 1.00 42.09 O ATOM 1339 CB LYS A 91 50.113 4.056 40.370 1.00 45.67 C ATOM 1340 CG LYS A 91 49.728 4.875 41.612 1.00 50.18 C ATOM 1341 CD LYS A 91 48.641 4.202 42.478 1.00 53.25 C ATOM 1342 CE LYS A 91 47.411 5.119 42.666 1.00 54.25 C ATOM 1343 NZ LYS A 91 46.180 4.423 43.174 1.00 53.21 N ATOM 1344 HA LYS A 91 49.189 3.739 38.437 1.00 0.00 H ATOM 1345 HB2 LYS A 91 50.638 3.161 40.705 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.782 4.662 39.760 1.00 0.00 H ATOM 1347 HG2 LYS A 91 50.619 5.015 42.223 1.00 0.00 H ATOM 1348 HG3 LYS A 91 49.357 5.846 41.284 1.00 0.00 H ATOM 1349 HD2 LYS A 91 48.323 3.279 41.992 1.00 0.00 H ATOM 1350 HD3 LYS A 91 49.062 3.970 43.456 1.00 0.00 H ATOM 1351 HE2 LYS A 91 47.173 5.570 41.703 1.00 0.00 H ATOM 1352 HE3 LYS A 91 47.676 5.902 43.377 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 45.901 3.680 42.502 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 46.382 3.996 44.101 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 45.408 5.113 43.269 1.00 0.00 H ATOM 1356 H LYS A 91 47.160 4.221 40.562 1.00 0.00 H ATOM 1357 N TYR A 92 48.884 1.313 38.742 1.00 40.96 N ATOM 1358 CA TYR A 92 48.670 -0.121 38.864 1.00 40.49 C ATOM 1359 C TYR A 92 49.377 -0.591 40.137 1.00 40.37 C ATOM 1360 O TYR A 92 50.490 -0.148 40.428 1.00 38.85 O ATOM 1361 CB TYR A 92 49.249 -0.811 37.634 1.00 40.19 C ATOM 1362 CG TYR A 92 48.989 -2.284 37.584 1.00 41.20 C ATOM 1363 CD1 TYR A 92 47.786 -2.781 37.101 1.00 40.87 C ATOM 1364 CD2 TYR A 92 49.958 -3.186 38.004 1.00 42.85 C ATOM 1365 CE1 TYR A 92 47.557 -4.137 37.032 1.00 42.81 C ATOM 1366 CE2 TYR A 92 49.742 -4.549 37.941 1.00 43.65 C ATOM 1367 CZ TYR A 92 48.543 -5.019 37.451 1.00 44.43 C ATOM 1368 OH TYR A 92 48.358 -6.374 37.347 1.00 45.04 O ATOM 1369 HA TYR A 92 47.609 -0.363 38.927 1.00 0.00 H ATOM 1370 HB3 TYR A 92 50.327 -0.652 37.627 1.00 0.00 H ATOM 1371 HB2 TYR A 92 48.811 -0.355 36.746 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.906 -2.812 38.390 1.00 0.00 H ATOM 1373 HE2 TYR A 92 50.511 -5.245 38.275 1.00 0.00 H ATOM 1374 HE1 TYR A 92 46.608 -4.515 36.651 1.00 0.00 H ATOM 1375 HD1 TYR A 92 47.012 -2.088 36.772 1.00 0.00 H ATOM 1376 HH TYR A 92 47.456 -6.556 36.982 1.00 0.00 H ATOM 1377 H TYR A 92 49.230 1.699 37.840 1.00 0.00 H ATOM 1378 N PRO A 93 48.762 -1.514 40.900 1.00 41.29 N ATOM 1379 CA PRO A 93 47.474 -2.183 40.711 1.00 41.60 C ATOM 1380 C PRO A 93 46.337 -1.440 41.397 1.00 41.68 C ATOM 1381 O PRO A 93 45.246 -1.979 41.558 1.00 41.72 O ATOM 1382 CB PRO A 93 47.700 -3.540 41.350 1.00 41.73 C ATOM 1383 CG PRO A 93 48.618 -3.225 42.512 1.00 42.05 C ATOM 1384 CD PRO A 93 49.379 -1.945 42.167 1.00 41.66 C ATOM 1385 HA PRO A 93 47.179 -2.236 39.663 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.247 -1.191 42.943 1.00 0.00 H ATOM 1387 HD2 PRO A 93 50.442 -2.146 42.035 1.00 0.00 H ATOM 1388 HG3 PRO A 93 49.320 -4.045 42.665 1.00 0.00 H ATOM 1389 HG2 PRO A 93 48.032 -3.076 43.419 1.00 0.00 H ATOM 1390 HB2 PRO A 93 46.761 -3.970 41.698 1.00 0.00 H ATOM 1391 HB3 PRO A 93 48.176 -4.228 40.651 1.00 0.00 H ATOM 1392 N ASN A 94 46.616 -0.212 41.821 1.00 41.65 N ATOM 1393 CA ASN A 94 45.623 0.629 42.479 1.00 41.41 C ATOM 1394 C ASN A 94 45.075 1.567 41.422 1.00 39.42 C ATOM 1395 O ASN A 94 45.340 2.765 41.452 1.00 37.84 O ATOM 1396 CB ASN A 94 46.270 1.457 43.593 1.00 45.42 C ATOM 1397 CG ASN A 94 47.019 0.601 44.602 1.00 49.76 C ATOM 1398 OD1 ASN A 94 46.402 -0.135 45.379 1.00 51.55 O ATOM 1399 ND2 ASN A 94 48.358 0.691 44.596 1.00 49.81 N ATOM 1400 HA ASN A 94 44.840 0.014 42.923 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.971 2.160 43.143 1.00 0.00 H ATOM 1402 HB3 ASN A 94 45.489 2.009 44.116 1.00 0.00 H ATOM 1403 HD22 ASN A 94 48.834 1.325 43.923 1.00 0.00 H ATOM 1404 HD21 ASN A 94 48.920 0.127 45.265 1.00 0.00 H ATOM 1405 H ASN A 94 47.576 0.162 41.679 1.00 0.00 H ATOM 1406 N CYS A 95 44.319 1.020 40.480 1.00 35.30 N ATOM 1407 CA CYS A 95 43.769 1.832 39.413 1.00 34.74 C ATOM 1408 C CYS A 95 42.658 2.728 39.911 1.00 34.10 C ATOM 1409 O CYS A 95 41.839 2.330 40.732 1.00 33.25 O ATOM 1410 CB CYS A 95 43.263 0.939 38.287 1.00 33.62 C ATOM 1411 SG CYS A 95 44.489 -0.301 37.786 1.00 31.41 S ATOM 1412 HA CYS A 95 44.565 2.473 39.035 1.00 0.00 H ATOM 1413 HB2 CYS A 95 43.023 1.563 37.426 1.00 0.00 H ATOM 1414 HB3 CYS A 95 42.363 0.426 38.624 1.00 0.00 H ATOM 1415 H CYS A 95 44.119 -0.000 40.507 1.00 0.00 H ATOM 1416 N ALA A 96 42.640 3.948 39.397 1.00 34.56 N ATOM 1417 CA ALA A 96 41.640 4.926 39.789 1.00 34.16 C ATOM 1418 C ALA A 96 40.982 5.492 38.541 1.00 32.28 C ATOM 1419 O ALA A 96 41.660 5.766 37.547 1.00 31.52 O ATOM 1420 CB ALA A 96 42.290 6.039 40.603 1.00 36.84 C ATOM 1421 HA ALA A 96 40.881 4.448 40.409 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.747 5.614 41.497 1.00 0.00 H ATOM 1423 HB2 ALA A 96 43.055 6.529 40.000 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.532 6.767 40.892 1.00 0.00 H ATOM 1425 H ALA A 96 43.360 4.213 38.695 1.00 0.00 H ATOM 1426 N TYR A 97 39.660 5.661 38.619 1.00 32.64 N ATOM 1427 CA TYR A 97 38.853 6.153 37.511 1.00 33.54 C ATOM 1428 C TYR A 97 37.875 7.270 37.837 1.00 35.02 C ATOM 1429 O TYR A 97 37.289 7.333 38.922 1.00 35.07 O ATOM 1430 CB TYR A 97 38.045 5.001 36.904 1.00 32.62 C ATOM 1431 CG TYR A 97 38.906 3.923 36.308 1.00 31.56 C ATOM 1432 CD1 TYR A 97 39.350 4.015 34.983 1.00 30.20 C ATOM 1433 CD2 TYR A 97 39.328 2.841 37.077 1.00 28.89 C ATOM 1434 CE1 TYR A 97 40.197 3.065 34.441 1.00 28.27 C ATOM 1435 CE2 TYR A 97 40.180 1.879 36.539 1.00 29.53 C ATOM 1436 CZ TYR A 97 40.608 2.002 35.227 1.00 28.39 C ATOM 1437 OH TYR A 97 41.455 1.066 34.703 1.00 30.54 O ATOM 1438 HA TYR A 97 39.586 6.574 36.823 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.402 5.403 36.121 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.429 4.559 37.687 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.989 2.746 38.109 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.508 1.035 37.146 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.536 3.152 33.409 1.00 0.00 H ATOM 1444 HD1 TYR A 97 39.022 4.852 34.367 1.00 0.00 H ATOM 1445 HH TYR A 97 41.662 1.299 33.763 1.00 0.00 H ATOM 1446 H TYR A 97 39.183 5.430 39.514 1.00 0.00 H ATOM 1447 N LYS A 98 37.687 8.134 36.851 1.00 36.17 N ATOM 1448 CA LYS A 98 36.748 9.232 36.946 1.00 36.81 C ATOM 1449 C LYS A 98 35.475 8.668 36.302 1.00 35.45 C ATOM 1450 O LYS A 98 35.537 8.047 35.246 1.00 35.36 O ATOM 1451 CB LYS A 98 37.284 10.426 36.150 1.00 39.71 C ATOM 1452 CG LYS A 98 36.233 11.404 35.681 1.00 44.77 C ATOM 1453 CD LYS A 98 36.182 12.623 36.584 1.00 48.93 C ATOM 1454 CE LYS A 98 35.147 12.440 37.684 1.00 51.66 C ATOM 1455 NZ LYS A 98 35.392 11.213 38.505 1.00 52.14 N ATOM 1456 HA LYS A 98 36.577 9.583 37.964 1.00 0.00 H ATOM 1457 HB2 LYS A 98 37.990 10.965 36.782 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.804 10.042 35.273 1.00 0.00 H ATOM 1459 HG2 LYS A 98 36.469 11.722 34.666 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.260 10.913 35.689 1.00 0.00 H ATOM 1461 HD2 LYS A 98 37.162 12.773 37.037 1.00 0.00 H ATOM 1462 HD3 LYS A 98 35.920 13.498 35.989 1.00 0.00 H ATOM 1463 HE2 LYS A 98 34.161 12.363 37.227 1.00 0.00 H ATOM 1464 HE3 LYS A 98 35.176 13.311 38.339 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 35.359 10.374 37.891 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 36.328 11.279 38.954 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 34.659 11.136 39.239 1.00 0.00 H ATOM 1468 H LYS A 98 38.235 8.019 35.975 1.00 0.00 H ATOM 1469 N THR A 99 34.333 8.857 36.946 1.00 34.00 N ATOM 1470 CA THR A 99 33.075 8.358 36.415 1.00 32.72 C ATOM 1471 C THR A 99 32.334 9.474 35.682 1.00 34.36 C ATOM 1472 O THR A 99 32.286 10.616 36.139 1.00 34.63 O ATOM 1473 CB THR A 99 32.210 7.781 37.555 1.00 32.12 C ATOM 1474 OG1 THR A 99 32.875 6.640 38.107 1.00 31.95 O ATOM 1475 CG2 THR A 99 30.837 7.357 37.057 1.00 31.12 C ATOM 1476 HA THR A 99 33.281 7.559 35.703 1.00 0.00 H ATOM 1477 HB THR A 99 32.075 8.557 38.308 1.00 0.00 H ATOM 1478 HG1 THR A 99 32.998 5.958 37.401 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.323 8.220 36.635 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.951 6.590 36.291 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.257 6.958 37.889 1.00 0.00 H ATOM 1482 H THR A 99 34.336 9.372 37.849 1.00 0.00 H ATOM 1483 N THR A 100 31.768 9.149 34.528 1.00 35.38 N ATOM 1484 CA THR A 100 31.044 10.138 33.758 1.00 34.74 C ATOM 1485 C THR A 100 29.837 9.568 33.059 1.00 33.65 C ATOM 1486 O THR A 100 29.954 8.804 32.095 1.00 31.58 O ATOM 1487 CB THR A 100 31.933 10.771 32.725 1.00 35.81 C ATOM 1488 OG1 THR A 100 33.049 11.367 33.387 1.00 38.89 O ATOM 1489 CG2 THR A 100 31.169 11.839 31.967 1.00 38.93 C ATOM 1490 HA THR A 100 30.706 10.883 34.478 1.00 0.00 H ATOM 1491 HB THR A 100 32.273 10.012 32.020 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.549 10.670 33.881 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.317 11.385 31.461 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.816 12.597 32.666 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.827 12.300 31.230 1.00 0.00 H ATOM 1496 H THR A 100 31.845 8.175 34.173 1.00 0.00 H ATOM 1497 N GLN A 101 28.675 9.961 33.568 1.00 32.89 N ATOM 1498 CA GLN A 101 27.385 9.537 33.051 1.00 32.31 C ATOM 1499 C GLN A 101 27.007 10.441 31.886 1.00 30.83 C ATOM 1500 O GLN A 101 27.176 11.647 31.972 1.00 32.45 O ATOM 1501 CB GLN A 101 26.347 9.665 34.160 1.00 33.96 C ATOM 1502 CG GLN A 101 24.965 9.281 33.756 1.00 38.06 C ATOM 1503 CD GLN A 101 24.966 8.106 32.824 1.00 41.67 C ATOM 1504 OE1 GLN A 101 24.188 8.054 31.863 1.00 43.35 O ATOM 1505 NE2 GLN A 101 25.847 7.144 33.093 1.00 42.38 N ATOM 1506 HA GLN A 101 27.429 8.502 32.712 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.651 9.024 34.988 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.329 10.703 34.493 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.394 9.024 34.648 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.494 10.128 33.257 1.00 0.00 H ATOM 1511 HE22 GLN A 101 26.480 7.233 33.913 1.00 0.00 H ATOM 1512 HE21 GLN A 101 25.902 6.303 32.483 1.00 0.00 H ATOM 1513 H GLN A 101 28.689 10.608 34.382 1.00 0.00 H ATOM 1514 N ALA A 102 26.513 9.875 30.794 1.00 28.06 N ATOM 1515 CA ALA A 102 26.114 10.691 29.646 1.00 25.92 C ATOM 1516 C ALA A 102 25.091 9.959 28.801 1.00 24.52 C ATOM 1517 O ALA A 102 24.826 8.782 29.000 1.00 22.81 O ATOM 1518 CB ALA A 102 27.335 11.049 28.785 1.00 23.95 C ATOM 1519 HA ALA A 102 25.668 11.610 30.026 1.00 0.00 H ATOM 1520 HB1 ALA A 102 28.050 11.611 29.386 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.803 10.134 28.422 1.00 0.00 H ATOM 1522 HB3 ALA A 102 27.015 11.656 27.938 1.00 0.00 H ATOM 1523 H ALA A 102 26.408 8.841 30.752 1.00 0.00 H ATOM 1524 N ASN A 103 24.504 10.682 27.861 1.00 26.37 N ATOM 1525 CA ASN A 103 23.541 10.106 26.939 1.00 26.91 C ATOM 1526 C ASN A 103 24.025 10.484 25.575 1.00 25.43 C ATOM 1527 O ASN A 103 23.943 11.635 25.177 1.00 28.71 O ATOM 1528 CB ASN A 103 22.152 10.668 27.184 1.00 29.96 C ATOM 1529 CG ASN A 103 21.499 10.022 28.352 1.00 32.11 C ATOM 1530 OD1 ASN A 103 20.619 9.190 28.194 1.00 34.58 O ATOM 1531 ND2 ASN A 103 21.956 10.369 29.550 1.00 37.23 N ATOM 1532 HA ASN A 103 23.465 9.026 27.062 1.00 0.00 H ATOM 1533 HB2 ASN A 103 22.231 11.739 27.370 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.540 10.499 26.298 1.00 0.00 H ATOM 1535 HD22 ASN A 103 22.707 11.083 29.633 1.00 0.00 H ATOM 1536 HD21 ASN A 103 21.562 9.926 30.405 1.00 0.00 H ATOM 1537 H ASN A 103 24.739 11.692 27.780 1.00 0.00 H ATOM 1538 N LYS A 104 24.558 9.514 24.859 1.00 24.87 N ATOM 1539 CA LYS A 104 25.079 9.795 23.543 1.00 25.47 C ATOM 1540 C LYS A 104 24.779 8.635 22.627 1.00 24.07 C ATOM 1541 O LYS A 104 24.299 7.594 23.077 1.00 22.27 O ATOM 1542 CB LYS A 104 26.600 10.005 23.616 1.00 29.82 C ATOM 1543 CG LYS A 104 27.076 10.891 24.777 1.00 33.55 C ATOM 1544 CD LYS A 104 28.238 11.797 24.367 1.00 35.65 C ATOM 1545 CE LYS A 104 29.454 10.993 23.921 1.00 39.14 C ATOM 1546 NZ LYS A 104 30.516 11.813 23.225 1.00 41.80 N ATOM 1547 HA LYS A 104 24.609 10.700 23.158 1.00 0.00 H ATOM 1548 HB2 LYS A 104 27.072 9.028 23.720 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.923 10.466 22.683 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.245 11.513 25.109 1.00 0.00 H ATOM 1551 HG3 LYS A 104 27.401 10.252 25.598 1.00 0.00 H ATOM 1552 HD2 LYS A 104 27.915 12.434 23.544 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.518 12.418 25.218 1.00 0.00 H ATOM 1554 HE2 LYS A 104 29.118 10.215 23.235 1.00 0.00 H ATOM 1555 HE3 LYS A 104 29.901 10.531 24.801 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.111 12.253 22.374 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.858 12.554 23.870 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 31.307 11.195 22.954 1.00 0.00 H ATOM 1559 H LYS A 104 24.603 8.548 25.242 1.00 0.00 H ATOM 1560 N HIS A 105 25.037 8.827 21.339 1.00 22.43 N ATOM 1561 CA HIS A 105 24.840 7.754 20.381 1.00 21.52 C ATOM 1562 C HIS A 105 26.099 6.946 20.544 1.00 21.64 C ATOM 1563 O HIS A 105 27.172 7.505 20.782 1.00 22.85 O ATOM 1564 CB HIS A 105 24.782 8.288 18.951 1.00 21.25 C ATOM 1565 CG HIS A 105 23.736 9.330 18.749 1.00 24.92 C ATOM 1566 ND1 HIS A 105 22.459 9.026 18.331 1.00 24.79 N ATOM 1567 CD2 HIS A 105 23.747 10.662 18.993 1.00 25.63 C ATOM 1568 CE1 HIS A 105 21.726 10.125 18.333 1.00 25.79 C ATOM 1569 NE2 HIS A 105 22.483 11.132 18.731 1.00 27.35 N ATOM 1570 HA HIS A 105 23.912 7.206 20.548 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.752 8.719 18.704 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.574 7.455 18.279 1.00 0.00 H ATOM 1573 HD2 HIS A 105 24.599 11.251 19.333 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.674 10.190 18.054 1.00 0.00 H ATOM 1575 H HIS A 105 25.383 9.752 21.014 1.00 0.00 H ATOM 1576 N ILE A 106 25.992 5.634 20.451 1.00 20.58 N ATOM 1577 CA ILE A 106 27.198 4.832 20.567 1.00 19.90 C ATOM 1578 C ILE A 106 27.563 4.291 19.186 1.00 18.30 C ATOM 1579 O ILE A 106 26.708 4.178 18.301 1.00 16.70 O ATOM 1580 CB ILE A 106 27.005 3.641 21.540 1.00 20.37 C ATOM 1581 CG1 ILE A 106 25.922 2.698 21.006 1.00 21.18 C ATOM 1582 CG2 ILE A 106 26.659 4.148 22.923 1.00 20.02 C ATOM 1583 CD1 ILE A 106 25.997 1.297 21.586 1.00 19.78 C ATOM 1584 HA ILE A 106 27.992 5.465 20.962 1.00 0.00 H ATOM 1585 HB ILE A 106 27.937 3.080 21.612 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.947 3.120 21.249 1.00 0.00 H ATOM 1587 HG13 ILE A 106 26.028 2.629 19.923 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.963 0.855 21.342 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.882 1.347 22.669 1.00 0.00 H ATOM 1590 HD13 ILE A 106 25.200 0.686 21.162 1.00 0.00 H ATOM 1591 HG21 ILE A 106 27.467 4.782 23.289 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.736 4.725 22.876 1.00 0.00 H ATOM 1593 HG23 ILE A 106 26.526 3.301 23.596 1.00 0.00 H ATOM 1594 H ILE A 106 25.067 5.185 20.298 1.00 0.00 H ATOM 1595 N ILE A 107 28.843 3.982 19.007 1.00 16.69 N ATOM 1596 CA ILE A 107 29.339 3.402 17.766 1.00 16.21 C ATOM 1597 C ILE A 107 30.061 2.103 18.125 1.00 18.15 C ATOM 1598 O ILE A 107 31.045 2.095 18.887 1.00 18.92 O ATOM 1599 CB ILE A 107 30.315 4.335 17.025 1.00 16.17 C ATOM 1600 CG1 ILE A 107 29.609 5.647 16.683 1.00 17.87 C ATOM 1601 CG2 ILE A 107 30.827 3.644 15.748 1.00 15.19 C ATOM 1602 CD1 ILE A 107 30.512 6.687 16.068 1.00 18.21 C ATOM 1603 HA ILE A 107 28.495 3.232 17.098 1.00 0.00 H ATOM 1604 HB ILE A 107 31.169 4.555 17.665 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.805 5.431 15.979 1.00 0.00 H ATOM 1606 HG13 ILE A 107 29.186 6.058 17.600 1.00 0.00 H ATOM 1607 HD11 ILE A 107 31.316 6.925 16.764 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.935 6.297 15.142 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.935 7.587 15.855 1.00 0.00 H ATOM 1610 HG21 ILE A 107 31.342 2.722 16.017 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.983 3.414 15.098 1.00 0.00 H ATOM 1612 HG23 ILE A 107 31.517 4.309 15.228 1.00 0.00 H ATOM 1613 H ILE A 107 29.515 4.161 19.781 1.00 0.00 H ATOM 1614 N VAL A 108 29.542 1.002 17.596 1.00 17.43 N ATOM 1615 CA VAL A 108 30.117 -0.300 17.840 1.00 17.55 C ATOM 1616 C VAL A 108 30.527 -0.974 16.514 1.00 18.45 C ATOM 1617 O VAL A 108 30.060 -0.602 15.433 1.00 19.67 O ATOM 1618 CB VAL A 108 29.105 -1.205 18.608 1.00 17.31 C ATOM 1619 CG1 VAL A 108 28.810 -0.595 19.990 1.00 15.61 C ATOM 1620 CG2 VAL A 108 27.798 -1.346 17.795 1.00 15.44 C ATOM 1621 HA VAL A 108 31.009 -0.168 18.452 1.00 0.00 H ATOM 1622 HB VAL A 108 29.540 -2.195 18.743 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.737 -0.524 20.560 1.00 0.00 H ATOM 1624 HG12 VAL A 108 28.383 0.400 19.863 1.00 0.00 H ATOM 1625 HG13 VAL A 108 28.103 -1.231 20.523 1.00 0.00 H ATOM 1626 HG21 VAL A 108 27.357 -0.361 17.645 1.00 0.00 H ATOM 1627 HG22 VAL A 108 28.020 -1.797 16.828 1.00 0.00 H ATOM 1628 HG23 VAL A 108 27.099 -1.980 18.341 1.00 0.00 H ATOM 1629 H VAL A 108 28.700 1.079 16.990 1.00 0.00 H ATOM 1630 N ALA A 109 31.445 -1.932 16.608 1.00 18.74 N ATOM 1631 CA ALA A 109 31.885 -2.701 15.456 1.00 16.02 C ATOM 1632 C ALA A 109 31.193 -4.064 15.662 1.00 17.83 C ATOM 1633 O ALA A 109 31.133 -4.580 16.791 1.00 19.00 O ATOM 1634 CB ALA A 109 33.393 -2.854 15.474 1.00 14.51 C ATOM 1635 HA ALA A 109 31.637 -2.237 14.501 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.857 -1.868 15.444 1.00 0.00 H ATOM 1637 HB2 ALA A 109 33.694 -3.371 16.385 1.00 0.00 H ATOM 1638 HB3 ALA A 109 33.709 -3.432 14.605 1.00 0.00 H ATOM 1639 H ALA A 109 31.862 -2.138 17.538 1.00 0.00 H ATOM 1640 N CYS A 110 30.652 -4.630 14.586 1.00 16.90 N ATOM 1641 CA CYS A 110 29.955 -5.907 14.660 1.00 17.64 C ATOM 1642 C CYS A 110 30.608 -6.949 13.775 1.00 19.04 C ATOM 1643 O CYS A 110 31.206 -6.627 12.749 1.00 19.20 O ATOM 1644 CB CYS A 110 28.489 -5.732 14.264 1.00 15.27 C ATOM 1645 SG CYS A 110 27.677 -4.453 15.258 1.00 19.53 S ATOM 1646 HA CYS A 110 30.012 -6.257 15.691 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.968 -6.678 14.410 1.00 0.00 H ATOM 1648 HB3 CYS A 110 28.438 -5.449 13.213 1.00 0.00 H ATOM 1649 H CYS A 110 30.729 -4.148 13.668 1.00 0.00 H ATOM 1650 N GLU A 111 30.474 -8.205 14.176 1.00 20.48 N ATOM 1651 CA GLU A 111 31.065 -9.308 13.444 1.00 20.97 C ATOM 1652 C GLU A 111 30.304 -10.576 13.741 1.00 22.02 C ATOM 1653 O GLU A 111 29.605 -10.661 14.748 1.00 21.25 O ATOM 1654 CB GLU A 111 32.498 -9.527 13.908 1.00 20.14 C ATOM 1655 CG GLU A 111 33.523 -8.798 13.113 1.00 26.57 C ATOM 1656 CD GLU A 111 34.938 -9.013 13.643 1.00 30.50 C ATOM 1657 OE1 GLU A 111 35.114 -9.689 14.682 1.00 31.20 O ATOM 1658 OE2 GLU A 111 35.879 -8.491 13.020 1.00 33.21 O ATOM 1659 HA GLU A 111 31.034 -9.072 12.380 1.00 0.00 H ATOM 1660 HB2 GLU A 111 32.574 -9.199 14.945 1.00 0.00 H ATOM 1661 HB3 GLU A 111 32.716 -10.593 13.849 1.00 0.00 H ATOM 1662 HG2 GLU A 111 33.479 -9.148 12.082 1.00 0.00 H ATOM 1663 HG3 GLU A 111 33.296 -7.732 13.144 1.00 0.00 H ATOM 1664 H GLU A 111 29.930 -8.405 15.040 1.00 0.00 H ATOM 1665 N GLY A 112 30.449 -11.551 12.847 1.00 22.59 N ATOM 1666 CA GLY A 112 29.847 -12.851 13.050 1.00 25.47 C ATOM 1667 C GLY A 112 28.452 -13.143 12.570 1.00 26.78 C ATOM 1668 O GLY A 112 27.769 -12.323 11.955 1.00 27.41 O ATOM 1669 HA3 GLY A 112 29.848 -13.029 14.125 1.00 0.00 H ATOM 1670 HA2 GLY A 112 30.500 -13.575 12.563 1.00 0.00 H ATOM 1671 H GLY A 112 31.006 -11.375 11.986 1.00 0.00 H ATOM 1672 N ASN A 113 28.045 -14.366 12.872 1.00 29.36 N ATOM 1673 CA ASN A 113 26.732 -14.875 12.532 1.00 31.93 C ATOM 1674 C ASN A 113 26.304 -15.639 13.779 1.00 31.41 C ATOM 1675 O ASN A 113 26.776 -16.740 14.032 1.00 32.90 O ATOM 1676 CB ASN A 113 26.826 -15.818 11.329 1.00 34.01 C ATOM 1677 CG ASN A 113 25.474 -16.091 10.704 1.00 39.59 C ATOM 1678 OD1 ASN A 113 24.430 -15.762 11.283 1.00 40.38 O ATOM 1679 ND2 ASN A 113 25.478 -16.692 9.514 1.00 42.60 N ATOM 1680 HA ASN A 113 26.028 -14.090 12.258 1.00 0.00 H ATOM 1681 HB2 ASN A 113 27.474 -15.365 10.579 1.00 0.00 H ATOM 1682 HB3 ASN A 113 27.258 -16.763 11.658 1.00 0.00 H ATOM 1683 HD22 ASN A 113 26.380 -16.950 9.065 1.00 0.00 H ATOM 1684 HD21 ASN A 113 24.579 -16.902 9.035 1.00 0.00 H ATOM 1685 H ASN A 113 28.701 -14.993 13.379 1.00 0.00 H ATOM 1686 N PRO A 114 25.392 -15.069 14.568 1.00 30.68 N ATOM 1687 CA PRO A 114 24.758 -13.773 14.330 1.00 28.79 C ATOM 1688 C PRO A 114 25.708 -12.587 14.386 1.00 26.55 C ATOM 1689 O PRO A 114 26.796 -12.661 14.954 1.00 26.54 O ATOM 1690 CB PRO A 114 23.673 -13.698 15.404 1.00 29.33 C ATOM 1691 CG PRO A 114 24.144 -14.600 16.473 1.00 32.35 C ATOM 1692 CD PRO A 114 24.945 -15.685 15.829 1.00 30.46 C ATOM 1693 HA PRO A 114 24.366 -13.709 13.315 1.00 0.00 H ATOM 1694 HD3 PRO A 114 25.795 -15.965 16.451 1.00 0.00 H ATOM 1695 HD2 PRO A 114 24.330 -16.565 15.638 1.00 0.00 H ATOM 1696 HG3 PRO A 114 23.292 -15.029 17.000 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.765 -14.048 17.179 1.00 0.00 H ATOM 1698 HB2 PRO A 114 23.570 -12.679 15.777 1.00 0.00 H ATOM 1699 HB3 PRO A 114 22.715 -14.037 15.008 1.00 0.00 H ATOM 1700 N TYR A 115 25.261 -11.496 13.779 1.00 24.01 N ATOM 1701 CA TYR A 115 25.995 -10.240 13.699 1.00 22.71 C ATOM 1702 C TYR A 115 25.817 -9.453 15.002 1.00 22.47 C ATOM 1703 O TYR A 115 24.800 -8.797 15.207 1.00 23.58 O ATOM 1704 CB TYR A 115 25.449 -9.445 12.528 1.00 22.34 C ATOM 1705 CG TYR A 115 26.421 -8.481 11.939 1.00 19.15 C ATOM 1706 CD1 TYR A 115 27.697 -8.886 11.567 1.00 21.17 C ATOM 1707 CD2 TYR A 115 26.049 -7.165 11.709 1.00 21.49 C ATOM 1708 CE1 TYR A 115 28.577 -8.000 10.970 1.00 21.05 C ATOM 1709 CE2 TYR A 115 26.915 -6.269 11.114 1.00 21.85 C ATOM 1710 CZ TYR A 115 28.176 -6.692 10.743 1.00 23.30 C ATOM 1711 OH TYR A 115 29.022 -5.799 10.125 1.00 23.94 O ATOM 1712 HA TYR A 115 27.058 -10.430 13.554 1.00 0.00 H ATOM 1713 HB3 TYR A 115 24.578 -8.887 12.870 1.00 0.00 H ATOM 1714 HB2 TYR A 115 25.147 -10.146 11.749 1.00 0.00 H ATOM 1715 HD2 TYR A 115 25.054 -6.831 12.004 1.00 0.00 H ATOM 1716 HE2 TYR A 115 26.606 -5.238 10.939 1.00 0.00 H ATOM 1717 HE1 TYR A 115 29.576 -8.327 10.681 1.00 0.00 H ATOM 1718 HD1 TYR A 115 28.009 -9.915 11.748 1.00 0.00 H ATOM 1719 HH TYR A 115 28.607 -5.481 9.284 1.00 0.00 H ATOM 1720 H TYR A 115 24.324 -11.540 13.330 1.00 0.00 H ATOM 1721 N VAL A 116 26.818 -9.514 15.870 1.00 22.73 N ATOM 1722 CA VAL A 116 26.732 -8.872 17.175 1.00 22.37 C ATOM 1723 C VAL A 116 27.905 -7.939 17.475 1.00 20.79 C ATOM 1724 O VAL A 116 28.957 -8.017 16.844 1.00 19.10 O ATOM 1725 CB VAL A 116 26.626 -9.967 18.285 1.00 22.47 C ATOM 1726 CG1 VAL A 116 25.346 -10.779 18.086 1.00 21.56 C ATOM 1727 CG2 VAL A 116 27.833 -10.886 18.225 1.00 21.04 C ATOM 1728 HA VAL A 116 25.839 -8.247 17.162 1.00 0.00 H ATOM 1729 HB VAL A 116 26.598 -9.483 19.261 1.00 0.00 H ATOM 1730 HG11 VAL A 116 24.483 -10.116 18.148 1.00 0.00 H ATOM 1731 HG12 VAL A 116 25.369 -11.257 17.107 1.00 0.00 H ATOM 1732 HG13 VAL A 116 25.276 -11.541 18.862 1.00 0.00 H ATOM 1733 HG21 VAL A 116 27.873 -11.368 17.248 1.00 0.00 H ATOM 1734 HG22 VAL A 116 28.740 -10.303 18.381 1.00 0.00 H ATOM 1735 HG23 VAL A 116 27.749 -11.645 19.003 1.00 0.00 H ATOM 1736 H VAL A 116 27.683 -10.031 15.614 1.00 0.00 H ATOM 1737 N PRO A 117 27.728 -7.021 18.438 1.00 21.75 N ATOM 1738 CA PRO A 117 28.833 -6.102 18.763 1.00 20.65 C ATOM 1739 C PRO A 117 30.019 -6.825 19.399 1.00 20.59 C ATOM 1740 O PRO A 117 29.843 -7.703 20.253 1.00 20.63 O ATOM 1741 CB PRO A 117 28.205 -5.091 19.729 1.00 22.90 C ATOM 1742 CG PRO A 117 26.712 -5.354 19.691 1.00 22.38 C ATOM 1743 CD PRO A 117 26.520 -6.768 19.245 1.00 20.76 C ATOM 1744 HA PRO A 117 29.247 -5.630 17.872 1.00 0.00 H ATOM 1745 HD3 PRO A 117 26.467 -7.445 20.097 1.00 0.00 H ATOM 1746 HD2 PRO A 117 25.617 -6.872 18.644 1.00 0.00 H ATOM 1747 HG3 PRO A 117 26.231 -4.673 18.989 1.00 0.00 H ATOM 1748 HG2 PRO A 117 26.283 -5.214 20.683 1.00 0.00 H ATOM 1749 HB2 PRO A 117 28.591 -5.239 20.738 1.00 0.00 H ATOM 1750 HB3 PRO A 117 28.420 -4.073 19.405 1.00 0.00 H ATOM 1751 N VAL A 118 31.228 -6.467 18.979 1.00 20.19 N ATOM 1752 CA VAL A 118 32.432 -7.083 19.539 1.00 19.81 C ATOM 1753 C VAL A 118 33.430 -6.026 19.986 1.00 20.42 C ATOM 1754 O VAL A 118 34.396 -6.333 20.689 1.00 20.33 O ATOM 1755 CB VAL A 118 33.153 -8.031 18.518 1.00 18.55 C ATOM 1756 CG1 VAL A 118 32.244 -9.196 18.168 1.00 16.90 C ATOM 1757 CG2 VAL A 118 33.576 -7.267 17.267 1.00 16.55 C ATOM 1758 HA VAL A 118 32.094 -7.673 20.391 1.00 0.00 H ATOM 1759 HB VAL A 118 34.058 -8.423 18.981 1.00 0.00 H ATOM 1760 HG11 VAL A 118 32.006 -9.754 19.073 1.00 0.00 H ATOM 1761 HG12 VAL A 118 31.325 -8.817 17.722 1.00 0.00 H ATOM 1762 HG13 VAL A 118 32.751 -9.850 17.459 1.00 0.00 H ATOM 1763 HG21 VAL A 118 32.695 -6.841 16.787 1.00 0.00 H ATOM 1764 HG22 VAL A 118 34.261 -6.467 17.546 1.00 0.00 H ATOM 1765 HG23 VAL A 118 34.073 -7.949 16.577 1.00 0.00 H ATOM 1766 H VAL A 118 31.320 -5.739 18.242 1.00 0.00 H ATOM 1767 N HIS A 119 33.181 -4.778 19.592 1.00 20.05 N ATOM 1768 CA HIS A 119 34.086 -3.689 19.918 1.00 20.19 C ATOM 1769 C HIS A 119 33.356 -2.370 20.092 1.00 20.37 C ATOM 1770 O HIS A 119 32.407 -2.080 19.366 1.00 18.23 O ATOM 1771 CB HIS A 119 35.131 -3.568 18.798 1.00 20.51 C ATOM 1772 CG HIS A 119 35.775 -2.218 18.691 1.00 20.37 C ATOM 1773 ND1 HIS A 119 36.890 -1.864 19.419 1.00 21.66 N ATOM 1774 CD2 HIS A 119 35.489 -1.154 17.903 1.00 20.50 C ATOM 1775 CE1 HIS A 119 37.265 -0.643 19.083 1.00 20.43 C ATOM 1776 NE2 HIS A 119 36.432 -0.191 18.165 1.00 18.39 N ATOM 1777 HA HIS A 119 34.567 -3.914 20.870 1.00 0.00 H ATOM 1778 HB2 HIS A 119 35.913 -4.305 18.981 1.00 0.00 H ATOM 1779 HB3 HIS A 119 34.641 -3.788 17.850 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.665 -1.077 17.194 1.00 0.00 H ATOM 1781 HE1 HIS A 119 38.117 -0.101 19.494 1.00 0.00 H ATOM 1782 H HIS A 119 32.322 -4.579 19.040 1.00 0.00 H ATOM 1783 N PHE A 120 33.789 -1.585 21.074 1.00 19.84 N ATOM 1784 CA PHE A 120 33.195 -0.271 21.316 1.00 19.53 C ATOM 1785 C PHE A 120 34.126 0.759 20.676 1.00 18.61 C ATOM 1786 O PHE A 120 35.269 0.927 21.092 1.00 18.49 O ATOM 1787 CB PHE A 120 33.049 0.010 22.819 1.00 19.71 C ATOM 1788 CG PHE A 120 32.203 1.222 23.121 1.00 18.55 C ATOM 1789 CD1 PHE A 120 32.758 2.499 23.082 1.00 18.42 C ATOM 1790 CD2 PHE A 120 30.850 1.086 23.410 1.00 21.08 C ATOM 1791 CE1 PHE A 120 31.977 3.619 23.325 1.00 20.36 C ATOM 1792 CE2 PHE A 120 30.061 2.201 23.657 1.00 21.95 C ATOM 1793 CZ PHE A 120 30.626 3.472 23.613 1.00 19.08 C ATOM 1794 HA PHE A 120 32.194 -0.225 20.887 1.00 0.00 H ATOM 1795 HB2 PHE A 120 32.590 -0.859 23.291 1.00 0.00 H ATOM 1796 HB3 PHE A 120 34.042 0.168 23.240 1.00 0.00 H ATOM 1797 HD2 PHE A 120 30.404 0.092 23.443 1.00 0.00 H ATOM 1798 HE2 PHE A 120 29.002 2.081 23.885 1.00 0.00 H ATOM 1799 HZ PHE A 120 30.010 4.350 23.804 1.00 0.00 H ATOM 1800 HE1 PHE A 120 32.423 4.613 23.290 1.00 0.00 H ATOM 1801 HD1 PHE A 120 33.818 2.619 22.858 1.00 0.00 H ATOM 1802 H PHE A 120 34.566 -1.912 21.683 1.00 0.00 H ATOM 1803 N ASP A 121 33.630 1.457 19.663 1.00 17.50 N ATOM 1804 CA ASP A 121 34.474 2.404 18.976 1.00 18.95 C ATOM 1805 C ASP A 121 34.496 3.817 19.549 1.00 19.96 C ATOM 1806 O ASP A 121 35.564 4.352 19.856 1.00 20.56 O ATOM 1807 CB ASP A 121 34.093 2.447 17.490 1.00 17.18 C ATOM 1808 CG ASP A 121 35.305 2.665 16.578 1.00 21.79 C ATOM 1809 OD1 ASP A 121 36.366 2.012 16.766 1.00 19.22 O ATOM 1810 OD2 ASP A 121 35.196 3.495 15.654 1.00 21.74 O ATOM 1811 HA ASP A 121 35.489 2.034 19.120 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.620 1.502 17.223 1.00 0.00 H ATOM 1813 HB3 ASP A 121 33.387 3.262 17.334 1.00 0.00 H ATOM 1814 H ASP A 121 32.642 1.323 19.367 1.00 0.00 H ATOM 1815 N ALA A 122 33.315 4.405 19.699 1.00 20.03 N ATOM 1816 CA ALA A 122 33.189 5.773 20.183 1.00 19.86 C ATOM 1817 C ALA A 122 31.750 6.091 20.549 1.00 20.21 C ATOM 1818 O ALA A 122 30.843 5.306 20.329 1.00 18.93 O ATOM 1819 CB ALA A 122 33.644 6.740 19.090 1.00 18.33 C ATOM 1820 HA ALA A 122 33.810 5.880 21.072 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.684 6.536 18.837 1.00 0.00 H ATOM 1822 HB2 ALA A 122 33.021 6.606 18.206 1.00 0.00 H ATOM 1823 HB3 ALA A 122 33.550 7.764 19.451 1.00 0.00 H ATOM 1824 H ALA A 122 32.453 3.872 19.464 1.00 0.00 H ATOM 1825 N SER A 123 31.550 7.256 21.131 1.00 21.81 N ATOM 1826 CA SER A 123 30.216 7.704 21.460 1.00 22.95 C ATOM 1827 C SER A 123 30.212 9.120 20.894 1.00 23.72 C ATOM 1828 O SER A 123 31.250 9.784 20.875 1.00 24.46 O ATOM 1829 CB SER A 123 29.976 7.684 22.976 1.00 21.82 C ATOM 1830 OG SER A 123 30.856 8.555 23.649 1.00 25.43 O ATOM 1831 HA SER A 123 29.422 7.075 21.056 1.00 0.00 H ATOM 1832 HB2 SER A 123 30.129 6.670 23.346 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.950 7.992 23.177 1.00 0.00 H ATOM 1834 HG SER A 123 31.790 8.277 23.475 1.00 0.00 H ATOM 1835 H SER A 123 32.364 7.862 21.357 1.00 0.00 H ATOM 1836 N VAL A 124 29.065 9.562 20.395 1.00 25.34 N ATOM 1837 CA VAL A 124 28.942 10.892 19.808 1.00 26.40 C ATOM 1838 C VAL A 124 27.626 11.541 20.191 1.00 28.02 C ATOM 1839 O VAL A 124 26.651 10.826 20.526 1.00 27.00 O ATOM 1840 CB VAL A 124 28.998 10.845 18.279 1.00 25.46 C ATOM 1841 CG1 VAL A 124 30.392 10.540 17.817 1.00 27.28 C ATOM 1842 CG2 VAL A 124 28.038 9.803 17.764 1.00 27.41 C ATOM 1843 HA VAL A 124 29.781 11.470 20.195 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.602 12.784 20.135 1.00 33.16 O ATOM 1845 HB VAL A 124 28.709 11.819 17.885 1.00 0.00 H ATOM 1846 HG11 VAL A 124 31.070 11.315 18.174 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.702 9.573 18.214 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.414 10.510 16.728 1.00 0.00 H ATOM 1849 HG21 VAL A 124 28.313 8.828 18.165 1.00 0.00 H ATOM 1850 HG22 VAL A 124 27.026 10.055 18.080 1.00 0.00 H ATOM 1851 HG23 VAL A 124 28.083 9.775 16.675 1.00 0.00 H ATOM 1852 H VAL A 124 28.230 8.943 20.423 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 26.715 6.378 2.580 1.00 66.77 O HETATM 1855 O HOH 2 26.477 0.284 4.083 1.00 54.64 O HETATM 1856 O HOH 3 26.406 -3.644 7.057 1.00 63.62 O HETATM 1857 O HOH 4 23.582 -5.056 9.306 1.00 37.91 O HETATM 1858 O HOH 5 19.708 -2.989 8.651 1.00 34.63 O HETATM 1859 O HOH 6 19.375 1.220 9.446 1.00 26.01 O HETATM 1860 O HOH 7 22.255 10.276 8.974 1.00 47.26 O HETATM 1861 O HOH 8 31.047 7.316 7.136 1.00 47.91 O HETATM 1862 O HOH 9 31.570 8.731 9.233 1.00 34.64 O HETATM 1863 O HOH 10 32.690 7.728 11.526 1.00 27.53 O HETATM 1864 O HOH 11 33.883 5.857 14.498 1.00 30.63 O HETATM 1865 O HOH 12 33.972 10.696 19.809 1.00 51.64 O HETATM 1866 O HOH 13 34.484 8.454 22.218 1.00 39.98 O HETATM 1867 O HOH 14 32.670 7.252 24.944 1.00 24.84 O HETATM 1868 O HOH 15 33.623 10.034 25.018 1.00 64.10 O HETATM 1869 O HOH 16 34.997 10.099 32.808 1.00 39.87 O HETATM 1870 O HOH 17 40.257 11.718 34.530 1.00 45.70 O HETATM 1871 O HOH 18 47.775 2.296 31.503 1.00 60.85 O HETATM 1872 O HOH 19 48.597 0.575 33.866 1.00 31.26 O HETATM 1873 O HOH 20 43.505 7.409 43.949 1.00 52.48 O HETATM 1874 O HOH 21 43.299 13.922 38.706 1.00 68.07 O HETATM 1875 O HOH 22 34.888 5.811 40.367 1.00 35.19 O HETATM 1876 O HOH 23 36.293 -7.571 43.049 1.00 77.05 O HETATM 1877 O HOH 24 28.255 3.653 46.074 1.00 54.99 O HETATM 1878 O HOH 25 20.867 5.524 39.356 1.00 76.62 O HETATM 1879 O HOH 26 28.650 14.674 31.953 1.00 54.78 O HETATM 1880 O HOH 27 29.498 -15.644 28.371 1.00 60.76 O HETATM 1881 O HOH 28 25.674 14.903 23.336 1.00 66.18 O HETATM 1882 O HOH 29 20.230 10.260 14.639 1.00 64.85 O HETATM 1883 O HOH 30 18.951 3.455 18.515 1.00 41.18 O HETATM 1884 O HOH 31 18.627 -0.170 19.406 1.00 31.06 O HETATM 1885 O HOH 32 17.969 -6.845 19.003 1.00 43.48 O HETATM 1886 O HOH 33 27.000 -13.664 24.677 1.00 63.25 O HETATM 1887 O HOH 34 28.232 -14.945 19.458 1.00 52.98 O HETATM 1888 O HOH 35 28.631 -14.345 16.674 1.00 43.14 O HETATM 1889 O HOH 36 29.500 -16.872 16.258 1.00 64.65 O HETATM 1890 O HOH 37 31.270 -13.454 19.263 1.00 52.87 O HETATM 1891 O HOH 38 34.984 -15.031 19.289 1.00 40.73 O HETATM 1892 O HOH 39 40.985 -5.955 13.886 1.00 45.94 O HETATM 1893 O HOH 40 34.866 -7.551 10.091 1.00 26.10 O HETATM 1894 O HOH 41 32.146 -7.325 10.008 1.00 18.69 O HETATM 1895 O HOH 42 25.807 -12.822 9.811 1.00 39.05 O HETATM 1896 O HOH 43 28.743 -20.420 9.289 1.00 53.53 O HETATM 1897 O HOH 44 25.477 5.192 6.534 1.00 57.10 O HETATM 1898 O HOH 45 29.127 3.470 5.135 1.00 64.03 O HETATM 1899 O HOH 46 44.651 3.000 9.321 1.00 65.26 O HETATM 1900 O HOH 47 42.259 5.035 10.636 1.00 40.58 O HETATM 1901 O HOH 48 34.749 -5.568 23.994 1.00 37.04 O HETATM 1902 O HOH 49 35.129 -8.249 22.359 1.00 31.74 O HETATM 1903 O HOH 50 27.947 -8.848 22.210 1.00 24.45 O HETATM 1904 O HOH 51 25.577 -10.058 22.256 1.00 40.82 O HETATM 1905 O HOH 52 23.093 -6.987 29.289 1.00 36.35 O HETATM 1906 O HOH 53 24.593 -6.275 32.153 1.00 41.94 O HETATM 1907 O HOH 54 17.974 -0.698 30.894 1.00 68.64 O HETATM 1908 O HOH 55 17.353 -0.177 26.476 1.00 36.79 O HETATM 1909 O HOH 56 29.478 -17.652 25.468 1.00 65.10 O HETATM 1910 O HOH 57 39.296 -16.860 27.678 1.00 66.86 O HETATM 1911 O HOH 58 33.226 -13.847 30.242 1.00 55.52 O HETATM 1912 O HOH 59 34.125 -13.122 33.635 1.00 73.37 O HETATM 1913 O HOH 60 38.284 1.018 15.059 1.00 24.61 O HETATM 1914 O HOH 61 31.061 2.173 6.397 1.00 55.97 O HETATM 1915 O HOH 62 24.186 -16.013 27.581 1.00 65.88 O HETATM 1916 O HOH 63 41.464 1.785 26.786 1.00 32.90 O HETATM 1917 O HOH 64 45.122 -14.629 34.776 1.00 65.72 O HETATM 1918 O HOH 65 37.577 -13.383 33.880 1.00 67.96 O HETATM 1919 O HOH 66 22.182 -11.371 12.673 1.00 69.12 O HETATM 1920 O HOH 67 41.368 -10.374 27.122 1.00 64.33 O HETATM 1921 O HOH 68 19.047 -9.388 19.142 1.00 54.47 O HETATM 1922 O HOH 69 29.620 -12.274 29.137 1.00 49.17 O HETATM 1923 O HOH 70 34.039 7.996 15.184 1.00 38.89 O HETATM 1924 O HOH 71 28.356 -15.627 23.195 1.00 56.37 O HETATM 1925 PA PUA A 72 38.992 -4.356 21.687 1.00 0.30 P HETATM 1926 O3A PUA A 72 37.938 -4.119 22.850 1.00 -0.13 O HETATM 1927 PB PUA A 72 37.051 -2.892 23.306 1.00 0.30 P HETATM 1928 O3 PUA A 72 38.130 -1.874 23.925 1.00 -0.24 O HETATM 1929 C3 PUA A 72 38.509 -0.711 23.201 1.00 0.13 C HETATM 1930 C2 PUA A 72 37.350 0.262 23.174 1.00 0.04 C HETATM 1931 C1 PUA A 72 37.475 0.918 24.535 1.00 0.18 C HETATM 1932 O4 PUA A 72 38.864 1.011 24.794 1.00 -0.34 O HETATM 1933 C4 PUA A 72 39.580 0.047 23.984 1.00 0.12 C HETATM 1934 C5 PUA A 72 40.562 0.786 23.107 1.00 0.11 C HETATM 1935 O5 PUA A 72 39.878 1.835 22.393 1.00 -0.27 O HETATM 1936 PD PUA A 72 40.249 2.194 20.843 1.00 0.20 P HETATM 1937 O3D PUA A 72 40.755 0.889 20.225 1.00 -0.55 O HETATM 1938 O2D PUA A 72 38.951 2.707 20.195 1.00 -0.55 O HETATM 1939 O1D PUA A 72 41.335 3.271 20.928 1.00 -0.55 O HETATM 1940 H12 PUA A 72 41.010 0.085 22.387 1.00 0.06 H HETATM 1941 H13 PUA A 72 41.353 1.225 23.733 1.00 0.06 H HETATM 1942 H14 PUA A 72 40.133 -0.657 24.623 1.00 0.07 H HETATM 1943 N1U PUA A 72 36.908 2.272 24.560 1.00 -0.16 N HETATM 1944 C2U PUA A 72 35.766 2.479 25.334 1.00 0.33 C HETATM 1945 N3U PUA A 72 35.233 3.745 25.241 1.00 -0.19 N HETATM 1946 C4U PUA A 72 35.704 4.797 24.463 1.00 0.18 C HETATM 1947 C5U PUA A 72 36.913 4.521 23.724 1.00 0.01 C HETATM 1948 C6U PUA A 72 37.465 3.302 23.802 1.00 0.06 C HETATM 1949 H19 PUA A 72 38.385 3.108 23.252 1.00 0.12 H HETATM 1950 H21 PUA A 72 37.371 5.295 23.110 1.00 0.03 H HETATM 1951 O4U PUA A 72 35.004 5.795 24.338 1.00 -0.41 O HETATM 1952 H20 PUA A 72 34.419 3.928 25.793 1.00 0.23 H HETATM 1953 O2U PUA A 72 35.266 1.616 26.029 1.00 -0.38 O HETATM 1954 H15 PUA A 72 36.977 0.299 25.296 1.00 0.10 H HETATM 1955 H16 PUA A 72 36.388 -0.261 23.067 1.00 0.03 H HETATM 1956 H17 PUA A 72 37.460 0.996 22.362 1.00 0.03 H HETATM 1957 H18 PUA A 72 38.849 -0.976 22.189 1.00 0.07 H HETATM 1958 O2B PUA A 72 36.236 -3.330 24.451 1.00 -0.61 O HETATM 1959 O1B PUA A 72 36.386 -2.342 22.115 1.00 -0.61 O HETATM 1960 O5' PUA A 72 38.087 -5.002 20.554 1.00 -0.25 O HETATM 1961 C5' PUA A 72 37.363 -6.186 20.811 1.00 0.11 C HETATM 1962 C4' PUA A 72 37.494 -7.115 19.645 1.00 0.12 C HETATM 1963 C3' PUA A 72 38.936 -7.380 19.210 1.00 0.15 C HETATM 1964 C2' PUA A 72 39.080 -6.531 17.945 1.00 0.14 C HETATM 1965 C1' PUA A 72 37.671 -6.647 17.362 1.00 0.20 C HETATM 1966 O4' PUA A 72 36.821 -6.539 18.485 1.00 -0.34 O HETATM 1967 N9A PUA A 72 37.240 -5.704 16.315 1.00 -0.19 N HETATM 1968 C8A PUA A 72 36.444 -6.045 15.245 1.00 0.11 C HETATM 1969 N7A PUA A 72 36.225 -5.060 14.405 1.00 -0.30 N HETATM 1970 C5A PUA A 72 36.910 -3.987 14.957 1.00 0.10 C HETATM 1971 C4A PUA A 72 37.534 -4.363 16.146 1.00 0.16 C HETATM 1972 N3A PUA A 72 38.283 -3.570 16.946 1.00 -0.27 N HETATM 1973 C2A PUA A 72 38.365 -2.318 16.444 1.00 0.05 C HETATM 1974 N1A PUA A 72 37.818 -1.817 15.313 1.00 -0.27 N HETATM 1975 C6A PUA A 72 37.077 -2.639 14.535 1.00 0.13 C HETATM 1976 N6A PUA A 72 36.547 -2.143 13.417 1.00 -0.32 N HETATM 1977 H2 PUA A 72 35.978 -2.746 12.805 1.00 0.18 H HETATM 1978 H3 PUA A 72 36.706 -1.157 13.165 1.00 0.18 H HETATM 1979 H1 PUA A 72 38.950 -1.618 17.029 1.00 0.10 H HETATM 1980 H4 PUA A 72 36.032 -7.044 15.107 1.00 0.13 H HETATM 1981 H8 PUA A 72 37.577 -7.654 16.929 1.00 0.10 H HETATM 1982 O2' PUA A 72 40.081 -7.022 17.064 1.00 -0.38 O HETATM 1983 H10 PUA A 72 39.860 -7.907 16.797 1.00 0.21 H HETATM 1984 H9 PUA A 72 39.316 -5.487 18.197 1.00 0.07 H HETATM 1985 O3' PUA A 72 39.032 -8.766 18.890 1.00 -0.27 O HETATM 1986 PG PUA A 72 39.722 -9.838 19.904 1.00 0.20 P HETATM 1987 O3G PUA A 72 40.087 -9.070 21.174 1.00 -0.55 O HETATM 1988 O2G PUA A 72 40.932 -10.357 19.134 1.00 -0.55 O HETATM 1989 O1G PUA A 72 38.652 -10.900 20.146 1.00 -0.55 O HETATM 1990 H11 PUA A 72 39.669 -7.098 19.980 1.00 0.07 H HETATM 1991 H7 PUA A 72 37.022 -8.072 19.913 1.00 0.07 H HETATM 1992 H5 PUA A 72 36.302 -5.940 20.966 1.00 0.06 H HETATM 1993 H6 PUA A 72 37.763 -6.672 21.713 1.00 0.06 H HETATM 1994 O2A PUA A 72 39.497 -3.000 21.191 1.00 -0.61 O HETATM 1995 O1A PUA A 72 40.058 -5.337 22.164 1.00 -0.61 O CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 367 366 1248 CONECT 604 603 1411 CONECT 872 871 1645 CONECT 972 971 1070 CONECT 1070 972 1069 CONECT 1248 367 1247 CONECT 1411 604 1410 CONECT 1645 872 1644 CONECT 1925 1926 1960 1994 1995 CONECT 1926 1925 1927 CONECT 1927 1926 1928 1958 1959 CONECT 1928 1927 1929 CONECT 1929 1928 1930 1933 1957 CONECT 1930 1929 1931 1955 1956 CONECT 1931 1930 1932 1943 1954 CONECT 1932 1931 1933 CONECT 1933 1929 1932 1934 1942 CONECT 1934 1933 1935 1940 1941 CONECT 1935 1934 1936 CONECT 1936 1935 1937 1938 1939 CONECT 1937 1936 CONECT 1938 1936 CONECT 1939 1936 CONECT 1940 1934 CONECT 1941 1934 CONECT 1942 1933 CONECT 1943 1931 1944 1948 CONECT 1944 1943 1945 1953 CONECT 1945 1944 1946 1952 CONECT 1946 1945 1947 1951 CONECT 1947 1946 1948 1950 CONECT 1948 1943 1947 1949 CONECT 1949 1948 CONECT 1950 1947 CONECT 1951 1946 CONECT 1952 1945 CONECT 1953 1944 CONECT 1954 1931 CONECT 1955 1930 CONECT 1956 1930 CONECT 1957 1929 CONECT 1958 1927 CONECT 1959 1927 CONECT 1960 1925 1961 CONECT 1961 1960 1962 1992 1993 CONECT 1962 1961 1963 1966 1991 CONECT 1963 1962 1964 1985 1990 CONECT 1964 1963 1965 1982 1984 CONECT 1965 1964 1966 1967 1981 CONECT 1966 1962 1965 CONECT 1967 1965 1968 1971 CONECT 1968 1967 1969 1980 CONECT 1969 1968 1970 CONECT 1970 1969 1971 1975 CONECT 1971 1967 1970 1972 CONECT 1972 1971 1973 CONECT 1973 1972 1974 1979 CONECT 1974 1973 1975 CONECT 1975 1970 1974 1976 CONECT 1976 1975 1977 1978 CONECT 1977 1976 CONECT 1978 1976 CONECT 1979 1973 CONECT 1980 1968 CONECT 1981 1965 CONECT 1982 1964 1983 CONECT 1983 1982 CONECT 1984 1964 CONECT 1985 1963 1986 CONECT 1986 1985 1987 1988 1989 CONECT 1987 1986 CONECT 1988 1986 CONECT 1989 1986 CONECT 1990 1963 CONECT 1991 1962 CONECT 1992 1961 CONECT 1993 1961 CONECT 1994 1925 CONECT 1995 1925 MASTER 0 0 0 0 0 0 0 0 1994 1 83 10 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
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RCSB PDB
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RCSB PDB
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124aa, >1O0F_1|Chains... at 99%
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RCSB PDB
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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%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
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RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
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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%
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RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
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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
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124aa, >2XOG_1|Chains... at 99%
2xoi
RCSB PDB
PDBbind
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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
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3d8z
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PDBbind
124aa, >3D8Z_1|Chains... at 99%
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124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
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124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
PDBbind
124aa, >3LXO_1|Chain... at 99%
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RCSB PDB
PDBbind
124aa, >4G8V_1|Chains... at 99%
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RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
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124aa, >4RSK_1|Chain... at 96%
4wyp
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125aa, >4WYP_1|Chains... *
4wyz
RCSB PDB
PDBbind
125aa, >4WYZ_1|Chains... at 100%
6rsa
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PDBbind
124aa, >6RSA_1|Chain... at 99%
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RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
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RCSB PDB
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124aa, >6PVW_1|Chains... at 99%
6pvv
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1qhc
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease a
Ligand Name
PUA
EC.Number
E.C.3.1.27.5
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=27nM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v38 pp. 10287-97, 1999
Ligand Properties
Formula
C
1
9
H
3
1
N
7
O
2
0
P
4
Molecular Weight
801.379
Exact Mass
801.057
No. of atoms
81
No. of bonds
85
Polar Surface Area
465.98
LOGP Value
-8.21 (
Computed with XLOGP3
)
-3.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 5
Canonical SMILES
O=c1ccn(c(=O)[nH]1)[C@H]1C[C@@H]([C@H](O1)COP(O)(O)O)OP(OP(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(O)(O)O)O)n1cnc2c1ncnc2N)(O)O)(O)O
InChI String
InChI=1S/C19H35N7O20P4/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(28)15(45-48(33,34)35)10(43-18)5-41-49(36,37)46-50(38,39)44-8-3-12(25-2-1-11(27)24-19(25)29)42-9(8)4-40-47(30,31)32/h1-2,6-10,12,14-15,18,28,30-39,47-50H,3-5H2,(H2,20,21,22)(H,24,27,29)/t8-,9+,10+,12+,14+,15+,18+/m0/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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