Browse entries in the PDBbind-CN Database
HEADER 3HQH_COMPLEX COMPND 3HQH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 33 LYS VAL VAL LYS PHE SER TYR MET TRP THR ILE ASN ASN SEQRES 2 A 33 PHE SER PHE CYS ARG GLU GLU MET GLY GLU VAL ILE LYS SEQRES 3 A 33 SER SER THR PHE SER SER GLY SEQRES 1 A 32 ASP LYS LEU LYS TRP CYS LEU ARG VAL ASN PRO LYS GLY SEQRES 2 A 32 LEU ASP GLU GLU SER LYS ASP TYR LEU SER LEU TYR LEU SEQRES 3 A 32 LEU LEU VAL SER CYS PRO SEQRES 1 A 69 GLU VAL ARG ALA LYS PHE LYS PHE SER ILE LEU ASN ALA SEQRES 2 A 69 LYS GLY GLU GLU THR LYS ALA MET GLU SER GLN ARG ALA SEQRES 3 A 69 TYR ARG PHE VAL GLN GLY LYS ASP TRP GLY PHE LYS LYS SEQRES 4 A 69 PHE ILE ARG ARG GLY PHE LEU LEU ASP GLU ALA ASN GLY SEQRES 5 A 69 LEU LEU PRO ASP ASP LYS LEU THR LEU PHE CYS GLU VAL SEQRES 6 A 69 SER VAL VAL GLN HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ALA A 186 107 ATOM 1 N LYS A 28 -20.568 33.966 -24.042 1.00 63.94 N ATOM 2 CA LYS A 28 -19.183 34.371 -23.650 1.00 62.81 C ATOM 3 C LYS A 28 -18.574 33.396 -22.659 1.00 61.80 C ATOM 4 O LYS A 28 -18.451 33.700 -21.475 1.00 62.26 O ATOM 5 HA LYS A 28 -18.558 34.405 -24.543 1.00 0.00 H ATOM 6 HN3 LYS A 28 -21.172 33.937 -23.196 1.00 0.00 H ATOM 7 HN2 LYS A 28 -20.541 33.024 -24.482 1.00 0.00 H ATOM 8 HN1 LYS A 28 -20.951 34.656 -24.720 1.00 0.00 H ATOM 9 N VAL A 29 -18.190 32.222 -23.148 1.00 59.04 N ATOM 10 CA VAL A 29 -17.604 31.191 -22.304 1.00 55.85 C ATOM 11 C VAL A 29 -16.236 30.726 -22.806 1.00 53.44 C ATOM 12 O VAL A 29 -16.004 30.623 -24.017 1.00 52.96 O ATOM 13 CB VAL A 29 -18.555 29.964 -22.210 1.00 57.18 C ATOM 14 CG1 VAL A 29 -17.805 28.736 -21.708 1.00 57.59 C ATOM 15 CG2 VAL A 29 -19.717 30.283 -21.278 1.00 57.45 C ATOM 16 HA VAL A 29 -17.465 31.638 -21.320 1.00 0.00 H ATOM 17 HB VAL A 29 -18.940 29.746 -23.206 1.00 0.00 H ATOM 18 HG11 VAL A 29 -16.994 28.501 -22.397 1.00 0.00 H ATOM 19 HG12 VAL A 29 -17.396 28.941 -20.719 1.00 0.00 H ATOM 20 HG13 VAL A 29 -18.491 27.891 -21.651 1.00 0.00 H ATOM 21 HG21 VAL A 29 -19.331 30.518 -20.286 1.00 0.00 H ATOM 22 HG22 VAL A 29 -20.269 31.139 -21.667 1.00 0.00 H ATOM 23 HG23 VAL A 29 -20.379 29.420 -21.217 1.00 0.00 H ATOM 24 H VAL A 29 -18.312 32.034 -24.164 1.00 0.00 H ATOM 25 N VAL A 30 -15.330 30.470 -21.864 1.00 48.87 N ATOM 26 CA VAL A 30 -13.997 29.967 -22.177 1.00 46.81 C ATOM 27 C VAL A 30 -13.918 28.571 -21.554 1.00 44.75 C ATOM 28 O VAL A 30 -13.956 28.421 -20.335 1.00 45.75 O ATOM 29 CB VAL A 30 -12.889 30.859 -21.579 1.00 46.24 C ATOM 30 CG1 VAL A 30 -11.519 30.262 -21.894 1.00 47.04 C ATOM 31 CG2 VAL A 30 -12.993 32.268 -22.149 1.00 46.47 C ATOM 32 HA VAL A 30 -13.843 29.955 -23.256 1.00 0.00 H ATOM 33 HB VAL A 30 -13.013 30.908 -20.497 1.00 0.00 H ATOM 34 HG11 VAL A 30 -11.451 29.263 -21.462 1.00 0.00 H ATOM 35 HG12 VAL A 30 -11.390 30.202 -22.975 1.00 0.00 H ATOM 36 HG13 VAL A 30 -10.741 30.896 -21.469 1.00 0.00 H ATOM 37 HG21 VAL A 30 -12.879 32.230 -23.232 1.00 0.00 H ATOM 38 HG22 VAL A 30 -13.967 32.688 -21.900 1.00 0.00 H ATOM 39 HG23 VAL A 30 -12.207 32.891 -21.721 1.00 0.00 H ATOM 40 H VAL A 30 -15.582 30.635 -20.869 1.00 0.00 H ATOM 41 N LYS A 31 -13.822 27.545 -22.390 1.00 42.09 N ATOM 42 CA LYS A 31 -13.776 26.180 -21.886 1.00 37.68 C ATOM 43 C LYS A 31 -12.403 25.536 -22.065 1.00 35.84 C ATOM 44 O LYS A 31 -11.790 25.627 -23.127 1.00 34.53 O ATOM 45 CB LYS A 31 -14.860 25.334 -22.570 1.00 35.64 C ATOM 46 CG LYS A 31 -15.097 23.973 -21.916 1.00 36.46 C ATOM 47 CD LYS A 31 -16.384 23.313 -22.405 1.00 35.17 C ATOM 48 CE LYS A 31 -16.571 21.945 -21.751 1.00 38.02 C ATOM 49 NZ LYS A 31 -17.920 21.338 -21.992 1.00 38.90 N ATOM 50 HA LYS A 31 -13.967 26.221 -20.814 1.00 0.00 H ATOM 51 HB2 LYS A 31 -15.796 25.893 -22.547 1.00 0.00 H ATOM 52 HB3 LYS A 31 -14.563 25.169 -23.606 1.00 0.00 H ATOM 53 HG2 LYS A 31 -14.256 23.320 -22.150 1.00 0.00 H ATOM 54 HG3 LYS A 31 -15.160 24.109 -20.836 1.00 0.00 H ATOM 55 HD2 LYS A 31 -17.232 23.950 -22.152 1.00 0.00 H ATOM 56 HD3 LYS A 31 -16.334 23.189 -23.487 1.00 0.00 H ATOM 57 HE2 LYS A 31 -16.431 22.056 -20.676 1.00 0.00 H ATOM 58 HE3 LYS A 31 -15.814 21.268 -22.147 1.00 0.00 H ATOM 59 HZ1 LYS A 31 -18.655 21.967 -21.609 1.00 0.00 H ATOM 60 HZ2 LYS A 31 -18.066 21.214 -23.014 1.00 0.00 H ATOM 61 HZ3 LYS A 31 -17.972 20.413 -21.519 1.00 0.00 H ATOM 62 H LYS A 31 -13.779 27.718 -23.415 1.00 0.00 H ATOM 63 N PHE A 32 -11.926 24.896 -21.003 1.00 33.54 N ATOM 64 CA PHE A 32 -10.634 24.223 -21.010 1.00 33.82 C ATOM 65 C PHE A 32 -10.697 22.984 -20.106 1.00 34.72 C ATOM 66 O PHE A 32 -11.685 22.765 -19.398 1.00 33.54 O ATOM 67 CB PHE A 32 -9.525 25.178 -20.544 1.00 30.92 C ATOM 68 CG PHE A 32 -9.816 25.874 -19.245 1.00 31.30 C ATOM 69 CD1 PHE A 32 -10.773 26.870 -19.181 1.00 30.67 C ATOM 70 CD2 PHE A 32 -9.111 25.542 -18.085 1.00 30.84 C ATOM 71 CE1 PHE A 32 -11.015 27.552 -17.998 1.00 33.79 C ATOM 72 CE2 PHE A 32 -9.341 26.217 -16.893 1.00 32.31 C ATOM 73 CZ PHE A 32 -10.302 27.221 -16.843 1.00 32.02 C ATOM 74 HA PHE A 32 -10.401 23.909 -22.027 1.00 0.00 H ATOM 75 HB2 PHE A 32 -8.606 24.603 -20.426 1.00 0.00 H ATOM 76 HB3 PHE A 32 -9.381 25.936 -21.314 1.00 0.00 H ATOM 77 HD2 PHE A 32 -8.371 24.743 -18.116 1.00 0.00 H ATOM 78 HE2 PHE A 32 -8.770 25.961 -16.000 1.00 0.00 H ATOM 79 HZ PHE A 32 -10.498 27.747 -15.908 1.00 0.00 H ATOM 80 HE1 PHE A 32 -11.761 28.346 -17.969 1.00 0.00 H ATOM 81 HD1 PHE A 32 -11.346 27.123 -20.073 1.00 0.00 H ATOM 82 H PHE A 32 -12.497 24.875 -20.134 1.00 0.00 H ATOM 83 N SER A 33 -9.647 22.171 -20.136 1.00 34.98 N ATOM 84 CA SER A 33 -9.626 20.956 -19.337 1.00 34.96 C ATOM 85 C SER A 33 -8.236 20.600 -18.837 1.00 35.29 C ATOM 86 O SER A 33 -7.225 21.181 -19.247 1.00 33.83 O ATOM 87 CB SER A 33 -10.174 19.787 -20.149 1.00 32.18 C ATOM 88 OG SER A 33 -9.370 19.582 -21.295 1.00 31.32 O ATOM 89 HA SER A 33 -10.252 21.147 -18.466 1.00 0.00 H ATOM 90 HB2 SER A 33 -11.196 20.008 -20.458 1.00 0.00 H ATOM 91 HB3 SER A 33 -10.168 18.886 -19.536 1.00 0.00 H ATOM 92 HG SER A 33 -9.730 18.822 -21.818 1.00 0.00 H ATOM 93 H SER A 33 -8.831 22.406 -20.737 1.00 0.00 H ATOM 94 N TYR A 34 -8.208 19.621 -17.947 1.00 34.42 N ATOM 95 CA TYR A 34 -6.974 19.162 -17.356 1.00 35.59 C ATOM 96 C TYR A 34 -7.145 17.716 -16.930 1.00 34.53 C ATOM 97 O TYR A 34 -8.172 17.348 -16.333 1.00 33.25 O ATOM 98 CB TYR A 34 -6.624 20.015 -16.133 1.00 37.18 C ATOM 99 CG TYR A 34 -5.298 19.649 -15.493 1.00 40.23 C ATOM 100 CD1 TYR A 34 -4.086 20.007 -16.091 1.00 42.36 C ATOM 101 CD2 TYR A 34 -5.254 18.948 -14.287 1.00 41.21 C ATOM 102 CE1 TYR A 34 -2.860 19.659 -15.509 1.00 43.06 C ATOM 103 CE2 TYR A 34 -4.035 18.597 -13.696 1.00 42.86 C ATOM 104 CZ TYR A 34 -2.846 18.965 -14.307 1.00 44.30 C ATOM 105 OH TYR A 34 -1.651 18.631 -13.717 1.00 47.49 O ATOM 106 HA TYR A 34 -6.169 19.247 -18.086 1.00 0.00 H ATOM 107 HB3 TYR A 34 -7.411 19.890 -15.390 1.00 0.00 H ATOM 108 HB2 TYR A 34 -6.580 21.059 -16.443 1.00 0.00 H ATOM 109 HD2 TYR A 34 -6.186 18.669 -13.796 1.00 0.00 H ATOM 110 HE2 TYR A 34 -4.020 18.037 -12.761 1.00 0.00 H ATOM 111 HE1 TYR A 34 -1.924 19.931 -15.997 1.00 0.00 H ATOM 112 HD1 TYR A 34 -4.095 20.567 -17.026 1.00 0.00 H ATOM 113 HH TYR A 34 -1.602 19.043 -12.818 1.00 0.00 H ATOM 114 H TYR A 34 -9.101 19.169 -17.665 1.00 0.00 H ATOM 115 N MET A 35 -6.144 16.903 -17.260 1.00 33.09 N ATOM 116 CA MET A 35 -6.147 15.501 -16.884 1.00 34.24 C ATOM 117 C MET A 35 -5.123 15.300 -15.773 1.00 33.99 C ATOM 118 O MET A 35 -3.932 15.576 -15.943 1.00 32.63 O ATOM 119 CB MET A 35 -5.795 14.599 -18.070 1.00 35.54 C ATOM 120 CG MET A 35 -5.985 13.109 -17.754 1.00 34.00 C ATOM 121 SD MET A 35 -5.235 11.994 -18.981 1.00 36.82 S ATOM 122 CE MET A 35 -3.479 12.062 -18.433 1.00 34.93 C ATOM 123 HA MET A 35 -7.147 15.230 -16.547 1.00 0.00 H ATOM 124 HB2 MET A 35 -6.436 14.862 -18.912 1.00 0.00 H ATOM 125 HB3 MET A 35 -4.753 14.769 -18.341 1.00 0.00 H ATOM 126 HG2 MET A 35 -7.054 12.901 -17.709 1.00 0.00 H ATOM 127 HG3 MET A 35 -5.535 12.904 -16.783 1.00 0.00 H ATOM 128 HE1 MET A 35 -3.122 13.090 -18.489 1.00 0.00 H ATOM 129 HE2 MET A 35 -3.406 11.706 -17.405 1.00 0.00 H ATOM 130 HE3 MET A 35 -2.873 11.430 -19.081 1.00 0.00 H ATOM 131 H MET A 35 -5.340 17.282 -17.800 1.00 0.00 H ATOM 132 N TRP A 36 -5.598 14.823 -14.630 1.00 35.00 N ATOM 133 CA TRP A 36 -4.733 14.581 -13.487 1.00 33.79 C ATOM 134 C TRP A 36 -4.590 13.083 -13.212 1.00 34.94 C ATOM 135 O TRP A 36 -5.576 12.387 -12.953 1.00 33.90 O ATOM 136 CB TRP A 36 -5.303 15.293 -12.254 1.00 33.06 C ATOM 137 CG TRP A 36 -4.486 15.134 -10.999 1.00 34.40 C ATOM 138 CD1 TRP A 36 -3.141 14.883 -10.916 1.00 34.64 C ATOM 139 CD2 TRP A 36 -4.943 15.336 -9.651 1.00 33.81 C ATOM 140 NE1 TRP A 36 -2.731 14.922 -9.597 1.00 34.95 N ATOM 141 CE2 TRP A 36 -3.813 15.191 -8.800 1.00 32.57 C ATOM 142 CE3 TRP A 36 -6.186 15.614 -9.072 1.00 32.96 C ATOM 143 CZ2 TRP A 36 -3.894 15.337 -7.408 1.00 34.68 C ATOM 144 CZ3 TRP A 36 -6.270 15.761 -7.683 1.00 36.90 C ATOM 145 CH2 TRP A 36 -5.128 15.614 -6.867 1.00 34.79 C ATOM 146 HA TRP A 36 -3.742 14.976 -13.711 1.00 0.00 H ATOM 147 HB2 TRP A 36 -5.375 16.357 -12.480 1.00 0.00 H ATOM 148 HB3 TRP A 36 -6.300 14.895 -12.063 1.00 0.00 H ATOM 149 HE1 TRP A 36 -1.758 14.771 -9.263 1.00 0.00 H ATOM 150 HD1 TRP A 36 -2.490 14.682 -11.767 1.00 0.00 H ATOM 151 HZ2 TRP A 36 -3.011 15.235 -6.777 1.00 0.00 H ATOM 152 HH2 TRP A 36 -5.226 15.722 -5.787 1.00 0.00 H ATOM 153 HZ3 TRP A 36 -7.231 15.992 -7.225 1.00 0.00 H ATOM 154 HE3 TRP A 36 -7.076 15.715 -9.694 1.00 0.00 H ATOM 155 H TRP A 36 -6.614 14.617 -14.550 1.00 0.00 H ATOM 156 N THR A 37 -3.361 12.587 -13.280 1.00 36.10 N ATOM 157 CA THR A 37 -3.089 11.179 -13.004 1.00 36.58 C ATOM 158 C THR A 37 -2.478 11.085 -11.607 1.00 36.57 C ATOM 159 O THR A 37 -1.441 11.692 -11.349 1.00 36.16 O ATOM 160 CB THR A 37 -2.083 10.597 -14.005 1.00 36.89 C ATOM 161 OG1 THR A 37 -2.603 10.726 -15.333 1.00 39.58 O ATOM 162 CG2 THR A 37 -1.837 9.126 -13.716 1.00 38.66 C ATOM 163 HA THR A 37 -4.021 10.618 -13.082 1.00 0.00 H ATOM 164 HB THR A 37 -1.144 11.143 -13.912 1.00 0.00 H ATOM 165 HG1 THR A 37 -1.953 10.350 -15.979 1.00 0.00 H ATOM 166 HG23 THR A 37 -1.441 9.017 -12.707 1.00 0.00 H ATOM 167 HG21 THR A 37 -2.776 8.579 -13.800 1.00 0.00 H ATOM 168 HG22 THR A 37 -1.119 8.731 -14.434 1.00 0.00 H ATOM 169 H THR A 37 -2.573 13.216 -13.536 1.00 0.00 H ATOM 170 N ILE A 38 -3.118 10.341 -10.707 1.00 36.23 N ATOM 171 CA ILE A 38 -2.600 10.182 -9.345 1.00 37.09 C ATOM 172 C ILE A 38 -1.937 8.805 -9.213 1.00 37.84 C ATOM 173 O ILE A 38 -2.590 7.769 -9.306 1.00 35.76 O ATOM 174 CB ILE A 38 -3.740 10.341 -8.302 1.00 37.25 C ATOM 175 CG1 ILE A 38 -4.279 11.770 -8.369 1.00 37.73 C ATOM 176 CG2 ILE A 38 -3.226 10.038 -6.883 1.00 36.91 C ATOM 177 CD1 ILE A 38 -5.613 11.958 -7.709 1.00 38.16 C ATOM 178 HA ILE A 38 -1.860 10.958 -9.151 1.00 0.00 H ATOM 179 HB ILE A 38 -4.536 9.633 -8.532 1.00 0.00 H ATOM 180 HG12 ILE A 38 -3.561 12.429 -7.882 1.00 0.00 H ATOM 181 HG13 ILE A 38 -4.374 12.050 -9.418 1.00 0.00 H ATOM 182 HD11 ILE A 38 -6.350 11.316 -8.192 1.00 0.00 H ATOM 183 HD12 ILE A 38 -5.535 11.695 -6.654 1.00 0.00 H ATOM 184 HD13 ILE A 38 -5.920 13.000 -7.803 1.00 0.00 H ATOM 185 HG21 ILE A 38 -2.852 9.015 -6.844 1.00 0.00 H ATOM 186 HG22 ILE A 38 -2.421 10.730 -6.634 1.00 0.00 H ATOM 187 HG23 ILE A 38 -4.042 10.156 -6.170 1.00 0.00 H ATOM 188 H ILE A 38 -4.002 9.864 -10.976 1.00 0.00 H ATOM 189 N ASN A 39 -0.626 8.812 -9.005 1.00 40.23 N ATOM 190 CA ASN A 39 0.151 7.583 -8.887 1.00 42.24 C ATOM 191 C ASN A 39 0.173 7.035 -7.473 1.00 43.16 C ATOM 192 O ASN A 39 -0.062 7.767 -6.514 1.00 44.30 O ATOM 193 CB ASN A 39 1.579 7.852 -9.351 1.00 43.15 C ATOM 194 CG ASN A 39 1.624 8.514 -10.716 1.00 44.53 C ATOM 195 OD1 ASN A 39 1.217 7.922 -11.713 1.00 44.88 O ATOM 196 ND2 ASN A 39 2.103 9.755 -10.763 1.00 41.80 N ATOM 197 HA ASN A 39 -0.328 6.830 -9.514 1.00 0.00 H ATOM 198 HB2 ASN A 39 2.066 8.506 -8.627 1.00 0.00 H ATOM 199 HB3 ASN A 39 2.116 6.905 -9.402 1.00 0.00 H ATOM 200 HD22 ASN A 39 2.437 10.217 -9.893 1.00 0.00 H ATOM 201 HD21 ASN A 39 2.144 10.263 -11.670 1.00 0.00 H ATOM 202 H ASN A 39 -0.136 9.726 -8.923 1.00 0.00 H ATOM 203 N ASN A 40 0.467 5.744 -7.363 1.00 44.63 N ATOM 204 CA ASN A 40 0.554 5.056 -6.078 1.00 45.48 C ATOM 205 C ASN A 40 -0.631 5.379 -5.196 1.00 44.62 C ATOM 206 O ASN A 40 -0.467 5.686 -4.013 1.00 43.92 O ATOM 207 CB ASN A 40 1.848 5.442 -5.360 1.00 47.59 C ATOM 208 CG ASN A 40 3.071 5.161 -6.200 1.00 49.03 C ATOM 209 OD1 ASN A 40 3.263 4.042 -6.661 1.00 51.68 O ATOM 210 ND2 ASN A 40 3.901 6.178 -6.411 1.00 50.27 N ATOM 211 HA ASN A 40 0.551 3.984 -6.276 1.00 0.00 H ATOM 212 HB2 ASN A 40 1.817 6.507 -5.129 1.00 0.00 H ATOM 213 HB3 ASN A 40 1.919 4.872 -4.434 1.00 0.00 H ATOM 214 HD22 ASN A 40 3.696 7.111 -5.999 1.00 0.00 H ATOM 215 HD21 ASN A 40 4.755 6.041 -6.988 1.00 0.00 H ATOM 216 H ASN A 40 0.643 5.199 -8.231 1.00 0.00 H ATOM 217 N PHE A 41 -1.821 5.320 -5.781 1.00 43.76 N ATOM 218 CA PHE A 41 -3.034 5.598 -5.042 1.00 44.50 C ATOM 219 C PHE A 41 -3.152 4.566 -3.929 1.00 46.88 C ATOM 220 O PHE A 41 -2.911 3.380 -4.147 1.00 48.75 O ATOM 221 CB PHE A 41 -4.256 5.505 -5.959 1.00 44.59 C ATOM 222 CG PHE A 41 -5.541 5.872 -5.280 1.00 44.75 C ATOM 223 CD1 PHE A 41 -5.917 7.207 -5.135 1.00 44.69 C ATOM 224 CD2 PHE A 41 -6.349 4.886 -4.721 1.00 45.16 C ATOM 225 CE1 PHE A 41 -7.080 7.553 -4.429 1.00 43.00 C ATOM 226 CE2 PHE A 41 -7.516 5.224 -4.012 1.00 46.08 C ATOM 227 CZ PHE A 41 -7.880 6.558 -3.869 1.00 43.05 C ATOM 228 HA PHE A 41 -2.993 6.607 -4.632 1.00 0.00 H ATOM 229 HB2 PHE A 41 -4.107 6.178 -6.803 1.00 0.00 H ATOM 230 HB3 PHE A 41 -4.338 4.481 -6.323 1.00 0.00 H ATOM 231 HD2 PHE A 41 -6.074 3.837 -4.834 1.00 0.00 H ATOM 232 HE2 PHE A 41 -8.135 4.440 -3.575 1.00 0.00 H ATOM 233 HZ PHE A 41 -8.785 6.824 -3.323 1.00 0.00 H ATOM 234 HE1 PHE A 41 -7.358 8.601 -4.318 1.00 0.00 H ATOM 235 HD1 PHE A 41 -5.301 7.991 -5.575 1.00 0.00 H ATOM 236 H PHE A 41 -1.883 5.070 -6.788 1.00 0.00 H ATOM 237 N SER A 42 -3.520 5.022 -2.736 1.00 48.29 N ATOM 238 CA SER A 42 -3.679 4.138 -1.583 1.00 49.40 C ATOM 239 C SER A 42 -4.943 4.535 -0.825 1.00 49.20 C ATOM 240 O SER A 42 -5.347 5.695 -0.837 1.00 49.48 O ATOM 241 CB SER A 42 -2.452 4.244 -0.656 1.00 50.29 C ATOM 242 OG SER A 42 -2.669 3.580 0.582 1.00 50.29 O ATOM 243 HA SER A 42 -3.764 3.106 -1.925 1.00 0.00 H ATOM 244 HB2 SER A 42 -2.246 5.296 -0.461 1.00 0.00 H ATOM 245 HB3 SER A 42 -1.593 3.793 -1.153 1.00 0.00 H ATOM 246 HG SER A 42 -1.862 3.669 1.149 1.00 0.00 H ATOM 247 H SER A 42 -3.700 6.040 -2.619 1.00 0.00 H ATOM 248 N PHE A 43 -5.569 3.568 -0.169 1.00 49.46 N ATOM 249 CA PHE A 43 -6.780 3.837 0.592 1.00 49.33 C ATOM 250 C PHE A 43 -6.439 4.175 2.040 1.00 48.48 C ATOM 251 O PHE A 43 -7.303 4.547 2.836 1.00 47.84 O ATOM 252 CB PHE A 43 -7.699 2.619 0.509 1.00 50.04 C ATOM 253 CG PHE A 43 -8.383 2.487 -0.818 1.00 51.05 C ATOM 254 CD1 PHE A 43 -9.501 3.264 -1.113 1.00 48.22 C ATOM 255 CD2 PHE A 43 -7.894 1.617 -1.791 1.00 49.90 C ATOM 256 CE1 PHE A 43 -10.118 3.180 -2.358 1.00 49.43 C ATOM 257 CE2 PHE A 43 -8.511 1.531 -3.049 1.00 49.55 C ATOM 258 CZ PHE A 43 -9.626 2.312 -3.326 1.00 46.45 C ATOM 259 HA PHE A 43 -7.295 4.700 0.170 1.00 0.00 H ATOM 260 HB2 PHE A 43 -7.104 1.723 0.683 1.00 0.00 H ATOM 261 HB3 PHE A 43 -8.460 2.705 1.285 1.00 0.00 H ATOM 262 HD2 PHE A 43 -7.024 0.997 -1.573 1.00 0.00 H ATOM 263 HE2 PHE A 43 -8.116 0.853 -3.806 1.00 0.00 H ATOM 264 HZ PHE A 43 -10.113 2.244 -4.299 1.00 0.00 H ATOM 265 HE1 PHE A 43 -10.990 3.797 -2.575 1.00 0.00 H ATOM 266 HD1 PHE A 43 -9.897 3.946 -0.360 1.00 0.00 H ATOM 267 H PHE A 43 -5.188 2.601 -0.199 1.00 0.00 H ATOM 268 N CYS A 44 -5.158 4.057 2.360 1.00 48.75 N ATOM 269 CA CYS A 44 -4.668 4.343 3.693 1.00 48.72 C ATOM 270 C CYS A 44 -4.334 5.825 3.834 1.00 46.77 C ATOM 271 O CYS A 44 -3.472 6.360 3.139 1.00 44.27 O ATOM 272 CB CYS A 44 -3.435 3.488 3.979 1.00 49.67 C ATOM 273 SG CYS A 44 -2.587 3.932 5.495 1.00 61.46 S ATOM 274 HA CYS A 44 -5.446 4.101 4.417 1.00 0.00 H ATOM 275 HB2 CYS A 44 -2.738 3.600 3.149 1.00 0.00 H ATOM 276 HB3 CYS A 44 -3.747 2.446 4.051 1.00 0.00 H ATOM 277 HG CYS A 44 -1.493 3.109 5.666 1.00 0.00 H ATOM 278 H CYS A 44 -4.483 3.749 1.631 1.00 0.00 H ATOM 279 N ARG A 45 -5.047 6.491 4.733 1.00 46.61 N ATOM 280 CA ARG A 45 -4.831 7.919 4.997 1.00 46.56 C ATOM 281 C ARG A 45 -3.420 8.246 5.457 1.00 46.74 C ATOM 282 O ARG A 45 -2.817 9.202 4.991 1.00 46.37 O ATOM 283 CB ARG A 45 -5.801 8.399 6.059 1.00 48.42 C ATOM 284 CG ARG A 45 -5.580 9.855 6.479 1.00 52.59 C ATOM 285 CD ARG A 45 -6.228 10.157 7.835 1.00 55.93 C ATOM 286 NE ARG A 45 -5.578 9.438 8.932 1.00 58.14 N ATOM 287 CZ ARG A 45 -4.315 9.617 9.317 1.00 57.88 C ATOM 288 NH1 ARG A 45 -3.538 10.503 8.700 1.00 57.74 N ATOM 289 NH2 ARG A 45 -3.825 8.901 10.325 1.00 58.27 N ATOM 290 HA ARG A 45 -4.994 8.428 4.047 1.00 0.00 H ATOM 291 HB2 ARG A 45 -6.814 8.303 5.669 1.00 0.00 H ATOM 292 HB3 ARG A 45 -5.690 7.766 6.939 1.00 0.00 H ATOM 293 HG2 ARG A 45 -4.509 10.044 6.549 1.00 0.00 H ATOM 294 HG3 ARG A 45 -6.015 10.511 5.725 1.00 0.00 H ATOM 295 HD2 ARG A 45 -7.277 9.864 7.796 1.00 0.00 H ATOM 296 HD3 ARG A 45 -6.158 11.228 8.027 1.00 0.00 H ATOM 297 HE ARG A 45 -6.144 8.735 9.449 1.00 0.00 H ATOM 298 HH12 ARG A 45 -2.554 10.635 9.008 1.00 0.00 H ATOM 299 HH11 ARG A 45 -3.915 11.064 7.909 1.00 0.00 H ATOM 300 HH22 ARG A 45 -2.840 9.037 10.629 1.00 0.00 H ATOM 301 HH21 ARG A 45 -4.427 8.205 10.809 1.00 0.00 H ATOM 302 H ARG A 45 -5.782 5.986 5.268 1.00 0.00 H ATOM 303 N GLU A 46 -2.898 7.482 6.403 1.00 46.09 N ATOM 304 CA GLU A 46 -1.537 7.748 6.889 1.00 46.56 C ATOM 305 C GLU A 46 -0.482 7.573 5.796 1.00 45.60 C ATOM 306 O GLU A 46 0.661 7.932 5.987 1.00 42.12 O ATOM 307 CB GLU A 46 -1.243 6.854 8.118 1.00 48.97 C ATOM 308 CG GLU A 46 -0.787 5.392 7.881 1.00 56.10 C ATOM 309 CD GLU A 46 -1.074 4.474 9.048 1.00 60.03 C ATOM 310 OE1 GLU A 46 -1.308 5.003 10.140 1.00 60.96 O ATOM 311 OE2 GLU A 46 -1.067 3.227 8.878 1.00 63.85 O ATOM 312 HA GLU A 46 -1.481 8.794 7.190 1.00 0.00 H ATOM 313 HB2 GLU A 46 -0.459 7.346 8.693 1.00 0.00 H ATOM 314 HB3 GLU A 46 -2.156 6.814 8.712 1.00 0.00 H ATOM 315 HG2 GLU A 46 -1.305 5.007 7.003 1.00 0.00 H ATOM 316 HG3 GLU A 46 0.287 5.391 7.697 1.00 0.00 H ATOM 317 H GLU A 46 -3.450 6.695 6.801 1.00 0.00 H ATOM 318 N GLU A 47 -0.890 7.032 4.653 1.00 44.74 N ATOM 319 CA GLU A 47 -0.001 6.815 3.515 1.00 44.56 C ATOM 320 C GLU A 47 -0.345 7.787 2.401 1.00 45.04 C ATOM 321 O GLU A 47 0.550 8.268 1.703 1.00 41.42 O ATOM 322 CB GLU A 47 -0.131 5.370 2.930 1.00 45.44 C ATOM 323 CG GLU A 47 0.478 4.231 3.755 1.00 46.65 C ATOM 324 CD GLU A 47 0.476 2.906 2.995 1.00 50.13 C ATOM 325 OE1 GLU A 47 1.164 2.775 1.946 1.00 49.85 O ATOM 326 OE2 GLU A 47 -0.238 1.986 3.441 1.00 55.16 O ATOM 327 HA GLU A 47 1.016 6.964 3.879 1.00 0.00 H ATOM 328 HB2 GLU A 47 -1.193 5.158 2.809 1.00 0.00 H ATOM 329 HB3 GLU A 47 0.353 5.365 1.953 1.00 0.00 H ATOM 330 HG2 GLU A 47 1.506 4.490 4.007 1.00 0.00 H ATOM 331 HG3 GLU A 47 -0.101 4.112 4.671 1.00 0.00 H ATOM 332 H GLU A 47 -1.887 6.750 4.565 1.00 0.00 H ATOM 333 N MET A 48 -1.634 8.061 2.241 1.00 46.58 N ATOM 334 CA MET A 48 -2.123 8.963 1.213 1.00 48.00 C ATOM 335 C MET A 48 -2.182 10.474 1.625 1.00 48.25 C ATOM 336 O MET A 48 -1.886 11.364 0.827 1.00 46.62 O ATOM 337 CB MET A 48 -3.562 8.540 0.801 1.00 49.98 C ATOM 338 CG MET A 48 -3.994 9.137 -0.521 1.00 52.37 C ATOM 339 SD MET A 48 -3.411 8.270 -1.997 1.00 57.05 S ATOM 340 CE MET A 48 -1.837 8.042 -1.603 1.00 55.01 C ATOM 341 HA MET A 48 -1.402 8.881 0.400 1.00 0.00 H ATOM 342 HB2 MET A 48 -3.596 7.454 0.720 1.00 0.00 H ATOM 343 HB3 MET A 48 -4.256 8.868 1.575 1.00 0.00 H ATOM 344 HG2 MET A 48 -3.623 10.161 -0.564 1.00 0.00 H ATOM 345 HG3 MET A 48 -5.084 9.146 -0.545 1.00 0.00 H ATOM 346 HE1 MET A 48 -1.360 9.009 -1.443 1.00 0.00 H ATOM 347 HE2 MET A 48 -1.774 7.449 -0.690 1.00 0.00 H ATOM 348 HE3 MET A 48 -1.333 7.517 -2.414 1.00 0.00 H ATOM 349 H MET A 48 -2.322 7.611 2.878 1.00 0.00 H ATOM 350 N GLY A 49 -2.601 10.774 2.853 1.00 47.82 N ATOM 351 CA GLY A 49 -2.715 12.171 3.262 1.00 47.78 C ATOM 352 C GLY A 49 -4.194 12.411 3.168 1.00 47.76 C ATOM 353 O GLY A 49 -4.859 11.731 2.394 1.00 44.21 O ATOM 354 HA3 GLY A 49 -2.164 12.827 2.587 1.00 0.00 H ATOM 355 HA2 GLY A 49 -2.355 12.315 4.281 1.00 0.00 H ATOM 356 H GLY A 49 -2.847 10.014 3.520 1.00 0.00 H ATOM 357 N GLU A 50 -4.707 13.340 3.959 1.00 48.97 N ATOM 358 CA GLU A 50 -6.122 13.626 3.935 1.00 51.50 C ATOM 359 C GLU A 50 -6.520 14.495 2.752 1.00 50.21 C ATOM 360 O GLU A 50 -7.685 14.507 2.348 1.00 49.77 O ATOM 361 CB GLU A 50 -6.553 14.315 5.227 1.00 54.59 C ATOM 362 CG GLU A 50 -6.491 13.427 6.450 1.00 62.32 C ATOM 363 CD GLU A 50 -6.975 14.135 7.694 1.00 65.99 C ATOM 364 OE1 GLU A 50 -7.014 13.496 8.768 1.00 68.95 O ATOM 365 OE2 GLU A 50 -7.312 15.335 7.591 1.00 67.82 O ATOM 366 HA GLU A 50 -6.629 12.666 3.836 1.00 0.00 H ATOM 367 HB2 GLU A 50 -5.900 15.172 5.392 1.00 0.00 H ATOM 368 HB3 GLU A 50 -7.580 14.660 5.105 1.00 0.00 H ATOM 369 HG2 GLU A 50 -7.115 12.550 6.279 1.00 0.00 H ATOM 370 HG3 GLU A 50 -5.459 13.112 6.604 1.00 0.00 H ATOM 371 H GLU A 50 -4.085 13.869 4.604 1.00 0.00 H ATOM 372 N VAL A 51 -5.554 15.221 2.201 1.00 48.71 N ATOM 373 CA VAL A 51 -5.823 16.109 1.083 1.00 48.13 C ATOM 374 C VAL A 51 -4.645 16.191 0.120 1.00 48.87 C ATOM 375 O VAL A 51 -3.511 16.438 0.531 1.00 48.53 O ATOM 376 CB VAL A 51 -6.128 17.545 1.576 1.00 47.04 C ATOM 377 CG1 VAL A 51 -6.413 18.455 0.386 1.00 46.41 C ATOM 378 CG2 VAL A 51 -7.315 17.531 2.539 1.00 46.97 C ATOM 379 HA VAL A 51 -6.686 15.690 0.566 1.00 0.00 H ATOM 380 HB VAL A 51 -5.258 17.930 2.108 1.00 0.00 H ATOM 381 HG11 VAL A 51 -5.542 18.477 -0.269 1.00 0.00 H ATOM 382 HG12 VAL A 51 -7.273 18.073 -0.164 1.00 0.00 H ATOM 383 HG13 VAL A 51 -6.626 19.462 0.743 1.00 0.00 H ATOM 384 HG21 VAL A 51 -8.192 17.135 2.027 1.00 0.00 H ATOM 385 HG22 VAL A 51 -7.078 16.901 3.397 1.00 0.00 H ATOM 386 HG23 VAL A 51 -7.518 18.547 2.878 1.00 0.00 H ATOM 387 H VAL A 51 -4.587 15.153 2.577 1.00 0.00 H ATOM 388 N ILE A 52 -4.928 15.994 -1.163 1.00 49.72 N ATOM 389 CA ILE A 52 -3.909 16.072 -2.199 1.00 50.75 C ATOM 390 C ILE A 52 -4.416 16.984 -3.312 1.00 50.20 C ATOM 391 O ILE A 52 -5.594 16.944 -3.676 1.00 49.13 O ATOM 392 CB ILE A 52 -3.567 14.658 -2.765 1.00 51.99 C ATOM 393 CG1 ILE A 52 -4.858 13.897 -3.087 1.00 52.49 C ATOM 394 CG2 ILE A 52 -2.703 13.892 -1.765 1.00 51.30 C ATOM 395 CD1 ILE A 52 -4.747 12.375 -3.000 1.00 54.41 C ATOM 396 HA ILE A 52 -2.993 16.479 -1.771 1.00 0.00 H ATOM 397 HB ILE A 52 -2.999 14.764 -3.689 1.00 0.00 H ATOM 398 HG12 ILE A 52 -5.626 14.221 -2.385 1.00 0.00 H ATOM 399 HG13 ILE A 52 -5.161 14.157 -4.101 1.00 0.00 H ATOM 400 HD11 ILE A 52 -3.993 12.026 -3.705 1.00 0.00 H ATOM 401 HD12 ILE A 52 -4.459 12.090 -1.988 1.00 0.00 H ATOM 402 HD13 ILE A 52 -5.710 11.927 -3.245 1.00 0.00 H ATOM 403 HG21 ILE A 52 -1.779 14.442 -1.589 1.00 0.00 H ATOM 404 HG22 ILE A 52 -3.246 13.782 -0.827 1.00 0.00 H ATOM 405 HG23 ILE A 52 -2.469 12.907 -2.168 1.00 0.00 H ATOM 406 H ILE A 52 -5.908 15.777 -1.435 1.00 0.00 H ATOM 407 N LYS A 53 -3.526 17.831 -3.822 1.00 50.39 N ATOM 408 CA LYS A 53 -3.874 18.750 -4.900 1.00 50.23 C ATOM 409 C LYS A 53 -3.028 18.489 -6.129 1.00 48.20 C ATOM 410 O LYS A 53 -1.898 17.999 -6.033 1.00 48.14 O ATOM 411 CB LYS A 53 -3.687 20.202 -4.459 1.00 52.06 C ATOM 412 CG LYS A 53 -4.606 20.612 -3.329 1.00 54.11 C ATOM 413 CD LYS A 53 -4.349 22.044 -2.913 1.00 56.82 C ATOM 414 CE LYS A 53 -5.189 22.432 -1.705 1.00 57.89 C ATOM 415 NZ LYS A 53 -4.822 23.772 -1.166 1.00 60.00 N ATOM 416 HA LYS A 53 -4.922 18.582 -5.146 1.00 0.00 H ATOM 417 HB2 LYS A 53 -2.656 20.333 -4.131 1.00 0.00 H ATOM 418 HB3 LYS A 53 -3.880 20.850 -5.314 1.00 0.00 H ATOM 419 HG2 LYS A 53 -5.641 20.516 -3.658 1.00 0.00 H ATOM 420 HG3 LYS A 53 -4.436 19.956 -2.475 1.00 0.00 H ATOM 421 HD2 LYS A 53 -3.294 22.157 -2.662 1.00 0.00 H ATOM 422 HD3 LYS A 53 -4.596 22.705 -3.744 1.00 0.00 H ATOM 423 HE2 LYS A 53 -5.043 21.687 -0.923 1.00 0.00 H ATOM 424 HE3 LYS A 53 -6.239 22.448 -1.998 1.00 0.00 H ATOM 425 HZ1 LYS A 53 -3.823 23.766 -0.875 1.00 0.00 H ATOM 426 HZ2 LYS A 53 -4.965 24.492 -1.903 1.00 0.00 H ATOM 427 HZ3 LYS A 53 -5.422 23.990 -0.345 1.00 0.00 H ATOM 428 H LYS A 53 -2.558 17.838 -3.443 1.00 0.00 H ATOM 429 N SER A 54 -3.594 18.805 -7.286 1.00 45.75 N ATOM 430 CA SER A 54 -2.912 18.629 -8.560 1.00 43.81 C ATOM 431 C SER A 54 -2.085 19.875 -8.820 1.00 43.93 C ATOM 432 O SER A 54 -2.130 20.833 -8.052 1.00 43.64 O ATOM 433 CB SER A 54 -3.934 18.494 -9.692 1.00 43.76 C ATOM 434 OG SER A 54 -4.566 19.744 -9.957 1.00 39.61 O ATOM 435 HA SER A 54 -2.292 17.733 -8.523 1.00 0.00 H ATOM 436 HB2 SER A 54 -4.691 17.764 -9.405 1.00 0.00 H ATOM 437 HB3 SER A 54 -3.426 18.152 -10.594 1.00 0.00 H ATOM 438 HG SER A 54 -3.882 20.409 -10.222 1.00 0.00 H ATOM 439 H SER A 54 -4.559 19.192 -7.283 1.00 0.00 H ATOM 440 N SER A 55 -1.328 19.860 -9.906 1.00 45.28 N ATOM 441 CA SER A 55 -0.549 21.031 -10.278 1.00 46.51 C ATOM 442 C SER A 55 -1.578 21.987 -10.887 1.00 44.71 C ATOM 443 O SER A 55 -2.704 21.578 -11.199 1.00 42.92 O ATOM 444 CB SER A 55 0.511 20.670 -11.319 1.00 48.72 C ATOM 445 OG SER A 55 1.241 21.826 -11.698 1.00 58.86 O ATOM 446 HA SER A 55 -0.018 21.461 -9.429 1.00 0.00 H ATOM 447 HB2 SER A 55 0.024 20.248 -12.198 1.00 0.00 H ATOM 448 HB3 SER A 55 1.195 19.935 -10.896 1.00 0.00 H ATOM 449 HG SER A 55 1.686 22.210 -10.901 1.00 0.00 H ATOM 450 H SER A 55 -1.290 19.005 -10.497 1.00 0.00 H ATOM 451 N THR A 56 -1.191 23.247 -11.055 1.00 42.79 N ATOM 452 CA THR A 56 -2.078 24.263 -11.595 1.00 40.96 C ATOM 453 C THR A 56 -2.285 24.188 -13.105 1.00 40.62 C ATOM 454 O THR A 56 -1.534 23.533 -13.825 1.00 42.35 O ATOM 455 CB THR A 56 -1.565 25.678 -11.222 1.00 41.89 C ATOM 456 OG1 THR A 56 -0.177 25.795 -11.566 1.00 45.46 O ATOM 457 CG2 THR A 56 -1.711 25.923 -9.729 1.00 42.35 C ATOM 458 HA THR A 56 -3.049 24.065 -11.140 1.00 0.00 H ATOM 459 HB THR A 56 -2.156 26.411 -11.771 1.00 0.00 H ATOM 460 HG1 THR A 56 0.146 26.700 -11.326 1.00 0.00 H ATOM 461 HG23 THR A 56 -2.761 25.838 -9.449 1.00 0.00 H ATOM 462 HG21 THR A 56 -1.127 25.183 -9.182 1.00 0.00 H ATOM 463 HG22 THR A 56 -1.350 26.923 -9.489 1.00 0.00 H ATOM 464 H THR A 56 -0.221 23.515 -10.791 1.00 0.00 H ATOM 465 N PHE A 57 -3.334 24.846 -13.579 1.00 40.17 N ATOM 466 CA PHE A 57 -3.634 24.887 -15.000 1.00 41.27 C ATOM 467 C PHE A 57 -4.576 26.054 -15.267 1.00 42.79 C ATOM 468 O PHE A 57 -5.156 26.619 -14.343 1.00 41.99 O ATOM 469 CB PHE A 57 -4.270 23.571 -15.475 1.00 40.08 C ATOM 470 CG PHE A 57 -5.570 23.243 -14.800 1.00 39.41 C ATOM 471 CD1 PHE A 57 -5.591 22.628 -13.554 1.00 37.78 C ATOM 472 CD2 PHE A 57 -6.782 23.549 -15.416 1.00 38.65 C ATOM 473 CE1 PHE A 57 -6.810 22.326 -12.925 1.00 38.82 C ATOM 474 CE2 PHE A 57 -7.999 23.253 -14.799 1.00 36.13 C ATOM 475 CZ PHE A 57 -8.012 22.636 -13.552 1.00 37.85 C ATOM 476 HA PHE A 57 -2.705 25.020 -15.555 1.00 0.00 H ATOM 477 HB2 PHE A 57 -4.449 23.644 -16.548 1.00 0.00 H ATOM 478 HB3 PHE A 57 -3.568 22.760 -15.280 1.00 0.00 H ATOM 479 HD2 PHE A 57 -6.780 24.027 -16.395 1.00 0.00 H ATOM 480 HE2 PHE A 57 -8.937 23.505 -15.293 1.00 0.00 H ATOM 481 HZ PHE A 57 -8.959 22.397 -13.069 1.00 0.00 H ATOM 482 HE1 PHE A 57 -6.814 21.849 -11.945 1.00 0.00 H ATOM 483 HD1 PHE A 57 -4.652 22.378 -13.060 1.00 0.00 H ATOM 484 H PHE A 57 -3.959 25.346 -12.915 1.00 0.00 H ATOM 485 N SER A 58 -4.692 26.426 -16.535 1.00 45.14 N ATOM 486 CA SER A 58 -5.560 27.518 -16.958 1.00 47.53 C ATOM 487 C SER A 58 -6.016 27.254 -18.389 1.00 47.92 C ATOM 488 O SER A 58 -5.779 26.173 -18.933 1.00 46.35 O ATOM 489 CB SER A 58 -4.814 28.845 -16.893 1.00 48.80 C ATOM 490 OG SER A 58 -3.661 28.809 -17.716 1.00 50.63 O ATOM 491 HA SER A 58 -6.422 27.574 -16.294 1.00 0.00 H ATOM 492 HB2 SER A 58 -4.514 29.038 -15.863 1.00 0.00 H ATOM 493 HB3 SER A 58 -5.473 29.644 -17.233 1.00 0.00 H ATOM 494 HG SER A 58 -3.190 29.678 -17.661 1.00 0.00 H ATOM 495 H SER A 58 -4.141 25.918 -17.256 1.00 0.00 H ATOM 496 N SER A 59 -6.664 28.245 -18.994 1.00 49.50 N ATOM 497 CA SER A 59 -7.160 28.112 -20.356 1.00 52.05 C ATOM 498 C SER A 59 -6.063 28.341 -21.391 1.00 54.13 C ATOM 499 O SER A 59 -6.108 27.769 -22.481 1.00 54.77 O ATOM 500 CB SER A 59 -8.313 29.088 -20.590 1.00 52.07 C ATOM 501 OG SER A 59 -7.917 30.419 -20.313 1.00 52.94 O ATOM 502 HA SER A 59 -7.515 27.089 -20.477 1.00 0.00 H ATOM 503 HB2 SER A 59 -9.144 28.820 -19.938 1.00 0.00 H ATOM 504 HB3 SER A 59 -8.632 29.020 -21.630 1.00 0.00 H ATOM 505 HG SER A 59 -7.630 30.487 -19.368 1.00 0.00 H ATOM 506 H SER A 59 -6.820 29.137 -18.482 1.00 0.00 H ATOM 507 N GLY A 60 -5.076 29.166 -21.048 1.00 56.17 N ATOM 508 CA GLY A 60 -3.986 29.439 -21.973 1.00 58.47 C ATOM 509 C GLY A 60 -2.633 29.678 -21.319 1.00 59.69 C ATOM 510 O GLY A 60 -2.539 30.229 -20.218 1.00 60.96 O ATOM 511 HA3 GLY A 60 -4.245 30.327 -22.549 1.00 0.00 H ATOM 512 HA2 GLY A 60 -3.891 28.586 -22.645 1.00 0.00 H ATOM 513 H GLY A 60 -5.084 29.619 -20.112 1.00 0.00 H TER 514 GLY A 60 ATOM 515 N ASP A 63 -3.708 32.849 -20.026 1.00 71.38 N ATOM 516 CA ASP A 63 -4.640 33.054 -18.924 1.00 70.21 C ATOM 517 C ASP A 63 -3.912 33.222 -17.586 1.00 68.90 C ATOM 518 O ASP A 63 -3.020 32.439 -17.241 1.00 69.02 O ATOM 519 CB ASP A 63 -5.624 31.880 -18.877 1.00 71.29 C ATOM 520 CG ASP A 63 -6.592 31.966 -17.720 1.00 71.48 C ATOM 521 OD1 ASP A 63 -7.070 33.079 -17.400 1.00 70.40 O ATOM 522 OD2 ASP A 63 -6.882 30.897 -17.145 1.00 72.41 O ATOM 523 HA ASP A 63 -5.189 33.980 -19.096 1.00 0.00 H ATOM 524 HB2 ASP A 63 -6.193 31.866 -19.806 1.00 0.00 H ATOM 525 HB3 ASP A 63 -5.056 30.954 -18.787 1.00 0.00 H ATOM 526 HN3 ASP A 63 -3.147 31.991 -19.849 1.00 0.00 H ATOM 527 HN2 ASP A 63 -3.074 33.670 -20.100 1.00 0.00 H ATOM 528 HN1 ASP A 63 -4.240 32.740 -20.913 1.00 0.00 H ATOM 529 N LYS A 64 -4.301 34.259 -16.846 1.00 66.28 N ATOM 530 CA LYS A 64 -3.702 34.568 -15.553 1.00 63.20 C ATOM 531 C LYS A 64 -4.358 33.791 -14.413 1.00 60.99 C ATOM 532 O LYS A 64 -3.784 33.661 -13.331 1.00 59.97 O ATOM 533 CB LYS A 64 -3.800 36.067 -15.286 1.00 64.00 C ATOM 534 HA LYS A 64 -2.656 34.265 -15.593 1.00 0.00 H ATOM 535 HB2 LYS A 64 -3.271 36.610 -16.069 1.00 0.00 H ATOM 536 HB3 LYS A 64 -4.848 36.366 -15.280 1.00 0.00 H ATOM 537 H LYS A 64 -5.061 34.872 -17.204 1.00 0.00 H ATOM 538 N LEU A 65 -5.563 33.287 -14.658 1.00 57.78 N ATOM 539 CA LEU A 65 -6.290 32.517 -13.655 1.00 55.21 C ATOM 540 C LEU A 65 -5.722 31.107 -13.559 1.00 52.75 C ATOM 541 O LEU A 65 -5.825 30.323 -14.503 1.00 52.55 O ATOM 542 CB LEU A 65 -7.773 32.423 -14.020 1.00 56.96 C ATOM 543 CG LEU A 65 -8.614 33.694 -14.094 1.00 56.33 C ATOM 544 CD1 LEU A 65 -10.016 33.326 -14.528 1.00 57.82 C ATOM 545 CD2 LEU A 65 -8.643 34.378 -12.744 1.00 56.82 C ATOM 546 HA LEU A 65 -6.181 33.026 -12.698 1.00 0.00 H ATOM 547 HB2 LEU A 65 -7.828 31.949 -15.000 1.00 0.00 H ATOM 548 HB3 LEU A 65 -8.241 31.776 -13.278 1.00 0.00 H ATOM 549 HG LEU A 65 -8.178 34.384 -14.816 1.00 0.00 H ATOM 550 HD21 LEU A 65 -9.077 33.704 -12.006 1.00 0.00 H ATOM 551 HD22 LEU A 65 -7.627 34.638 -12.448 1.00 0.00 H ATOM 552 HD23 LEU A 65 -9.246 35.284 -12.810 1.00 0.00 H ATOM 553 HD11 LEU A 65 -9.978 32.850 -15.508 1.00 0.00 H ATOM 554 HD12 LEU A 65 -10.450 32.637 -13.804 1.00 0.00 H ATOM 555 HD13 LEU A 65 -10.626 34.228 -14.584 1.00 0.00 H ATOM 556 H LEU A 65 -5.999 33.446 -15.589 1.00 0.00 H ATOM 557 N LYS A 66 -5.121 30.789 -12.419 1.00 50.38 N ATOM 558 CA LYS A 66 -4.558 29.465 -12.208 1.00 47.66 C ATOM 559 C LYS A 66 -5.539 28.636 -11.389 1.00 45.78 C ATOM 560 O LYS A 66 -6.063 29.093 -10.371 1.00 45.96 O ATOM 561 CB LYS A 66 -3.206 29.559 -11.484 1.00 50.23 C ATOM 562 CG LYS A 66 -2.119 30.272 -12.281 1.00 51.24 C ATOM 563 CD LYS A 66 -1.933 29.630 -13.648 1.00 55.60 C ATOM 564 CE LYS A 66 -0.892 30.363 -14.479 1.00 57.31 C ATOM 565 NZ LYS A 66 -1.305 31.770 -14.762 1.00 59.30 N ATOM 566 HA LYS A 66 -4.389 28.987 -13.173 1.00 0.00 H ATOM 567 HB2 LYS A 66 -3.355 30.099 -10.549 1.00 0.00 H ATOM 568 HB3 LYS A 66 -2.863 28.547 -11.267 1.00 0.00 H ATOM 569 HG2 LYS A 66 -2.401 31.317 -12.413 1.00 0.00 H ATOM 570 HG3 LYS A 66 -1.180 30.217 -11.731 1.00 0.00 H ATOM 571 HD2 LYS A 66 -1.613 28.597 -13.512 1.00 0.00 H ATOM 572 HD3 LYS A 66 -2.885 29.648 -14.179 1.00 0.00 H ATOM 573 HE2 LYS A 66 -0.759 29.836 -15.424 1.00 0.00 H ATOM 574 HE3 LYS A 66 0.052 30.374 -13.934 1.00 0.00 H ATOM 575 HZ1 LYS A 66 -2.203 31.768 -15.287 1.00 0.00 H ATOM 576 HZ2 LYS A 66 -1.428 32.281 -13.865 1.00 0.00 H ATOM 577 HZ3 LYS A 66 -0.571 32.238 -15.331 1.00 0.00 H ATOM 578 H LYS A 66 -5.052 31.500 -11.663 1.00 0.00 H ATOM 579 N TRP A 67 -5.805 27.422 -11.855 1.00 43.33 N ATOM 580 CA TRP A 67 -6.720 26.518 -11.168 1.00 41.06 C ATOM 581 C TRP A 67 -6.000 25.219 -10.841 1.00 40.11 C ATOM 582 O TRP A 67 -4.930 24.932 -11.376 1.00 38.03 O ATOM 583 CB TRP A 67 -7.923 26.151 -12.052 1.00 38.73 C ATOM 584 CG TRP A 67 -8.713 27.284 -12.609 1.00 36.63 C ATOM 585 CD1 TRP A 67 -8.414 28.035 -13.713 1.00 36.31 C ATOM 586 CD2 TRP A 67 -9.992 27.764 -12.146 1.00 35.15 C ATOM 587 NE1 TRP A 67 -9.418 28.941 -13.960 1.00 35.06 N ATOM 588 CE2 TRP A 67 -10.385 28.798 -13.006 1.00 35.54 C ATOM 589 CE3 TRP A 67 -10.806 27.406 -11.056 1.00 36.23 C ATOM 590 CZ2 TRP A 67 -11.607 29.482 -12.845 1.00 36.52 C ATOM 591 CZ3 TRP A 67 -12.017 28.090 -10.894 1.00 36.81 C ATOM 592 CH2 TRP A 67 -12.397 29.126 -11.777 1.00 37.61 C ATOM 593 HA TRP A 67 -7.064 27.029 -10.269 1.00 0.00 H ATOM 594 HB2 TRP A 67 -7.550 25.564 -12.891 1.00 0.00 H ATOM 595 HB3 TRP A 67 -8.598 25.539 -11.454 1.00 0.00 H ATOM 596 HE1 TRP A 67 -9.438 29.623 -14.745 1.00 0.00 H ATOM 597 HD1 TRP A 67 -7.509 27.930 -14.311 1.00 0.00 H ATOM 598 HZ2 TRP A 67 -11.914 30.263 -13.540 1.00 0.00 H ATOM 599 HH2 TRP A 67 -13.336 29.654 -11.608 1.00 0.00 H ATOM 600 HZ3 TRP A 67 -12.679 27.818 -10.072 1.00 0.00 H ATOM 601 HE3 TRP A 67 -10.504 26.623 -10.361 1.00 0.00 H ATOM 602 H TRP A 67 -5.348 27.107 -12.735 1.00 0.00 H ATOM 603 N CYS A 68 -6.601 24.427 -9.961 1.00 40.00 N ATOM 604 CA CYS A 68 -6.041 23.131 -9.616 1.00 38.69 C ATOM 605 C CYS A 68 -7.161 22.268 -9.059 1.00 38.16 C ATOM 606 O CYS A 68 -8.221 22.780 -8.683 1.00 37.68 O ATOM 607 CB CYS A 68 -4.899 23.274 -8.591 1.00 39.76 C ATOM 608 SG CYS A 68 -5.365 23.360 -6.848 1.00 37.42 S ATOM 609 HA CYS A 68 -5.615 22.665 -10.504 1.00 0.00 H ATOM 610 HB2 CYS A 68 -4.354 24.187 -8.831 1.00 0.00 H ATOM 611 HB3 CYS A 68 -4.238 22.416 -8.713 1.00 0.00 H ATOM 612 HG CYS A 68 -6.037 22.207 -6.496 1.00 0.00 H ATOM 613 H CYS A 68 -7.486 24.739 -9.512 1.00 0.00 H ATOM 614 N LEU A 69 -6.941 20.957 -9.037 1.00 37.96 N ATOM 615 CA LEU A 69 -7.929 20.032 -8.498 1.00 38.12 C ATOM 616 C LEU A 69 -7.549 19.681 -7.060 1.00 38.74 C ATOM 617 O LEU A 69 -6.367 19.650 -6.715 1.00 38.90 O ATOM 618 CB LEU A 69 -7.989 18.748 -9.334 1.00 36.37 C ATOM 619 CG LEU A 69 -8.424 18.888 -10.792 1.00 38.49 C ATOM 620 CD1 LEU A 69 -8.388 17.535 -11.528 1.00 34.61 C ATOM 621 CD2 LEU A 69 -9.825 19.472 -10.800 1.00 40.89 C ATOM 622 HA LEU A 69 -8.909 20.509 -8.526 1.00 0.00 H ATOM 623 HB2 LEU A 69 -6.993 18.305 -9.329 1.00 0.00 H ATOM 624 HB3 LEU A 69 -8.689 18.070 -8.846 1.00 0.00 H ATOM 625 HG LEU A 69 -7.734 19.545 -11.321 1.00 0.00 H ATOM 626 HD21 LEU A 69 -10.499 18.803 -10.265 1.00 0.00 H ATOM 627 HD22 LEU A 69 -9.814 20.446 -10.311 1.00 0.00 H ATOM 628 HD23 LEU A 69 -10.165 19.584 -11.830 1.00 0.00 H ATOM 629 HD11 LEU A 69 -7.373 17.139 -11.508 1.00 0.00 H ATOM 630 HD12 LEU A 69 -9.062 16.836 -11.033 1.00 0.00 H ATOM 631 HD13 LEU A 69 -8.704 17.677 -12.562 1.00 0.00 H ATOM 632 H LEU A 69 -6.045 20.584 -9.412 1.00 0.00 H ATOM 633 N ARG A 70 -8.553 19.417 -6.233 1.00 40.42 N ATOM 634 CA ARG A 70 -8.337 19.055 -4.834 1.00 43.16 C ATOM 635 C ARG A 70 -9.154 17.813 -4.498 1.00 43.45 C ATOM 636 O ARG A 70 -10.373 17.786 -4.682 1.00 44.39 O ATOM 637 CB ARG A 70 -8.750 20.206 -3.915 1.00 45.83 C ATOM 638 CG ARG A 70 -8.874 19.819 -2.449 1.00 49.66 C ATOM 639 CD ARG A 70 -9.950 20.667 -1.768 1.00 52.99 C ATOM 640 NE ARG A 70 -10.364 20.115 -0.481 1.00 56.08 N ATOM 641 CZ ARG A 70 -9.662 20.223 0.641 1.00 58.84 C ATOM 642 NH1 ARG A 70 -8.503 20.874 0.638 1.00 61.07 N ATOM 643 NH2 ARG A 70 -10.109 19.671 1.765 1.00 58.86 N ATOM 644 HA ARG A 70 -7.277 18.849 -4.683 1.00 0.00 H ATOM 645 HB2 ARG A 70 -8.003 20.996 -3.999 1.00 0.00 H ATOM 646 HB3 ARG A 70 -9.715 20.584 -4.252 1.00 0.00 H ATOM 647 HG2 ARG A 70 -9.145 18.766 -2.376 1.00 0.00 H ATOM 648 HG3 ARG A 70 -7.918 19.982 -1.951 1.00 0.00 H ATOM 649 HD2 ARG A 70 -10.820 20.720 -2.422 1.00 0.00 H ATOM 650 HD3 ARG A 70 -9.556 21.670 -1.608 1.00 0.00 H ATOM 651 HE ARG A 70 -11.269 19.603 -0.440 1.00 0.00 H ATOM 652 HH12 ARG A 70 -7.952 20.959 1.516 1.00 0.00 H ATOM 653 HH11 ARG A 70 -8.147 21.298 -0.242 1.00 0.00 H ATOM 654 HH22 ARG A 70 -9.557 19.757 2.642 1.00 0.00 H ATOM 655 HH21 ARG A 70 -11.011 19.153 1.767 1.00 0.00 H ATOM 656 H ARG A 70 -9.527 19.470 -6.593 1.00 0.00 H ATOM 657 N VAL A 71 -8.478 16.789 -3.992 1.00 43.39 N ATOM 658 CA VAL A 71 -9.124 15.523 -3.656 1.00 44.42 C ATOM 659 C VAL A 71 -8.940 15.148 -2.192 1.00 43.60 C ATOM 660 O VAL A 71 -7.886 15.400 -1.603 1.00 44.95 O ATOM 661 CB VAL A 71 -8.524 14.328 -4.510 1.00 46.22 C ATOM 662 CG1 VAL A 71 -8.754 12.975 -3.781 1.00 45.81 C ATOM 663 CG2 VAL A 71 -9.125 14.312 -5.947 1.00 43.70 C ATOM 664 HA VAL A 71 -10.182 15.672 -3.873 1.00 0.00 H ATOM 665 HB VAL A 71 -7.449 14.479 -4.610 1.00 0.00 H ATOM 666 HG11 VAL A 71 -8.263 13.000 -2.808 1.00 0.00 H ATOM 667 HG12 VAL A 71 -9.823 12.814 -3.645 1.00 0.00 H ATOM 668 HG13 VAL A 71 -8.337 12.166 -4.380 1.00 0.00 H ATOM 669 HG21 VAL A 71 -10.206 14.190 -5.886 1.00 0.00 H ATOM 670 HG22 VAL A 71 -8.892 15.252 -6.448 1.00 0.00 H ATOM 671 HG23 VAL A 71 -8.696 13.483 -6.510 1.00 0.00 H ATOM 672 H VAL A 71 -7.456 16.891 -3.830 1.00 0.00 H ATOM 673 N ASN A 72 -9.980 14.554 -1.620 1.00 41.79 N ATOM 674 CA ASN A 72 -9.935 14.043 -0.261 1.00 39.75 C ATOM 675 C ASN A 72 -10.209 12.566 -0.537 1.00 38.77 C ATOM 676 O ASN A 72 -11.361 12.161 -0.726 1.00 36.53 O ATOM 677 CB ASN A 72 -11.039 14.641 0.620 1.00 40.35 C ATOM 678 CG ASN A 72 -10.929 16.152 0.747 1.00 41.66 C ATOM 679 OD1 ASN A 72 -9.831 16.707 0.708 1.00 42.61 O ATOM 680 ND2 ASN A 72 -12.065 16.822 0.918 1.00 40.94 N ATOM 681 HA ASN A 72 -9.013 14.266 0.276 1.00 0.00 H ATOM 682 HB2 ASN A 72 -12.007 14.396 0.182 1.00 0.00 H ATOM 683 HB3 ASN A 72 -10.970 14.200 1.615 1.00 0.00 H ATOM 684 HD22 ASN A 72 -12.971 16.312 0.945 1.00 0.00 H ATOM 685 HD21 ASN A 72 -12.048 17.856 1.025 1.00 0.00 H ATOM 686 H ASN A 72 -10.860 14.451 -2.165 1.00 0.00 H ATOM 687 N PRO A 73 -9.138 11.751 -0.594 1.00 39.37 N ATOM 688 CA PRO A 73 -9.234 10.313 -0.859 1.00 38.75 C ATOM 689 C PRO A 73 -10.402 9.718 -0.100 1.00 38.07 C ATOM 690 O PRO A 73 -11.054 8.789 -0.568 1.00 35.81 O ATOM 691 CB PRO A 73 -7.890 9.776 -0.363 1.00 38.12 C ATOM 692 CG PRO A 73 -6.959 10.910 -0.608 1.00 39.97 C ATOM 693 CD PRO A 73 -7.771 12.116 -0.169 1.00 39.45 C ATOM 694 HA PRO A 73 -9.414 10.066 -1.905 1.00 0.00 H ATOM 695 HD3 PRO A 73 -7.718 12.256 0.911 1.00 0.00 H ATOM 696 HD2 PRO A 73 -7.432 13.023 -0.669 1.00 0.00 H ATOM 697 HG3 PRO A 73 -6.693 10.979 -1.663 1.00 0.00 H ATOM 698 HG2 PRO A 73 -6.052 10.809 -0.012 1.00 0.00 H ATOM 699 HB2 PRO A 73 -7.935 9.529 0.698 1.00 0.00 H ATOM 700 HB3 PRO A 73 -7.589 8.894 -0.928 1.00 0.00 H ATOM 701 N LYS A 74 -10.652 10.271 1.083 1.00 39.57 N ATOM 702 CA LYS A 74 -11.730 9.815 1.943 1.00 42.18 C ATOM 703 C LYS A 74 -12.503 11.053 2.391 1.00 41.81 C ATOM 704 O LYS A 74 -11.900 12.025 2.876 1.00 40.07 O ATOM 705 CB LYS A 74 -11.144 9.102 3.164 1.00 42.56 C ATOM 706 CG LYS A 74 -12.141 8.231 3.943 1.00 41.63 C ATOM 707 CD LYS A 74 -11.617 8.004 5.362 1.00 41.76 C ATOM 708 CE LYS A 74 -12.737 7.576 6.287 1.00 44.16 C ATOM 709 NZ LYS A 74 -13.221 6.213 5.890 1.00 49.93 N ATOM 710 HA LYS A 74 -12.383 9.119 1.416 1.00 0.00 H ATOM 711 HB2 LYS A 74 -10.329 8.463 2.825 1.00 0.00 H ATOM 712 HB3 LYS A 74 -10.752 9.859 3.843 1.00 0.00 H ATOM 713 HG2 LYS A 74 -13.107 8.735 3.988 1.00 0.00 H ATOM 714 HG3 LYS A 74 -12.256 7.271 3.440 1.00 0.00 H ATOM 715 HD2 LYS A 74 -10.853 7.226 5.341 1.00 0.00 H ATOM 716 HD3 LYS A 74 -11.180 8.931 5.734 1.00 0.00 H ATOM 717 HE2 LYS A 74 -13.559 8.288 6.217 1.00 0.00 H ATOM 718 HE3 LYS A 74 -12.370 7.547 7.313 1.00 0.00 H ATOM 719 HZ1 LYS A 74 -13.571 6.242 4.911 1.00 0.00 H ATOM 720 HZ2 LYS A 74 -12.436 5.534 5.958 1.00 0.00 H ATOM 721 HZ3 LYS A 74 -13.990 5.921 6.526 1.00 0.00 H ATOM 722 H LYS A 74 -10.054 11.059 1.404 1.00 0.00 H ATOM 723 N GLY A 75 -13.823 11.032 2.207 1.00 43.57 N ATOM 724 CA GLY A 75 -14.631 12.171 2.618 1.00 46.14 C ATOM 725 C GLY A 75 -14.281 12.567 4.044 1.00 48.94 C ATOM 726 O GLY A 75 -14.175 11.705 4.922 1.00 47.89 O ATOM 727 HA3 GLY A 75 -15.686 11.903 2.566 1.00 0.00 H ATOM 728 HA2 GLY A 75 -14.437 13.011 1.951 1.00 0.00 H ATOM 729 H GLY A 75 -14.275 10.203 1.771 1.00 0.00 H ATOM 730 N LEU A 76 -14.113 13.864 4.287 1.00 51.01 N ATOM 731 CA LEU A 76 -13.752 14.350 5.623 1.00 53.23 C ATOM 732 C LEU A 76 -14.903 14.470 6.627 1.00 54.99 C ATOM 733 O LEU A 76 -14.733 15.048 7.702 1.00 55.23 O ATOM 734 CB LEU A 76 -13.034 15.696 5.509 1.00 54.03 C ATOM 735 CG LEU A 76 -11.742 15.657 4.690 1.00 54.29 C ATOM 736 CD1 LEU A 76 -11.067 17.022 4.705 1.00 54.42 C ATOM 737 CD2 LEU A 76 -10.821 14.595 5.271 1.00 54.17 C ATOM 738 HA LEU A 76 -13.101 13.577 6.030 1.00 0.00 H ATOM 739 HB2 LEU A 76 -13.714 16.407 5.039 1.00 0.00 H ATOM 740 HB3 LEU A 76 -12.790 16.039 6.515 1.00 0.00 H ATOM 741 HG LEU A 76 -11.970 15.407 3.654 1.00 0.00 H ATOM 742 HD21 LEU A 76 -10.593 14.842 6.308 1.00 0.00 H ATOM 743 HD22 LEU A 76 -11.315 13.624 5.227 1.00 0.00 H ATOM 744 HD23 LEU A 76 -9.898 14.561 4.693 1.00 0.00 H ATOM 745 HD11 LEU A 76 -11.740 17.764 4.275 1.00 0.00 H ATOM 746 HD12 LEU A 76 -10.830 17.297 5.733 1.00 0.00 H ATOM 747 HD13 LEU A 76 -10.149 16.979 4.118 1.00 0.00 H ATOM 748 H LEU A 76 -14.240 14.548 3.514 1.00 0.00 H ATOM 749 N ASP A 77 -16.066 13.927 6.277 1.00 55.49 N ATOM 750 CA ASP A 77 -17.220 13.959 7.162 1.00 56.77 C ATOM 751 C ASP A 77 -17.989 12.646 7.071 1.00 56.22 C ATOM 752 O ASP A 77 -17.840 11.887 6.108 1.00 54.96 O ATOM 753 CB ASP A 77 -18.150 15.119 6.803 1.00 59.69 C ATOM 754 CG ASP A 77 -18.596 15.075 5.358 1.00 62.21 C ATOM 755 OD1 ASP A 77 -17.884 15.640 4.498 1.00 65.74 O ATOM 756 OD2 ASP A 77 -19.647 14.461 5.077 1.00 64.31 O ATOM 757 HA ASP A 77 -16.860 14.100 8.181 1.00 0.00 H ATOM 758 HB2 ASP A 77 -19.031 15.073 7.443 1.00 0.00 H ATOM 759 HB3 ASP A 77 -17.624 16.057 6.979 1.00 0.00 H ATOM 760 H ASP A 77 -16.152 13.468 5.348 1.00 0.00 H ATOM 761 N GLU A 78 -18.823 12.401 8.078 1.00 56.32 N ATOM 762 CA GLU A 78 -19.620 11.181 8.164 1.00 55.08 C ATOM 763 C GLU A 78 -20.472 10.877 6.939 1.00 53.49 C ATOM 764 O GLU A 78 -20.535 9.730 6.506 1.00 54.00 O ATOM 765 CB GLU A 78 -20.496 11.221 9.412 1.00 56.79 C ATOM 766 HA GLU A 78 -18.897 10.367 8.219 1.00 0.00 H ATOM 767 HB2 GLU A 78 -19.863 11.301 10.296 1.00 0.00 H ATOM 768 HB3 GLU A 78 -21.161 12.083 9.360 1.00 0.00 H ATOM 769 H GLU A 78 -18.911 13.108 8.836 1.00 0.00 H ATOM 770 N GLU A 79 -21.131 11.881 6.373 1.00 52.51 N ATOM 771 CA GLU A 79 -21.961 11.634 5.196 1.00 50.81 C ATOM 772 C GLU A 79 -21.168 11.205 3.959 1.00 48.62 C ATOM 773 O GLU A 79 -21.684 10.485 3.108 1.00 47.18 O ATOM 774 CB GLU A 79 -22.777 12.876 4.836 1.00 53.15 C ATOM 775 CG GLU A 79 -23.931 12.526 3.905 1.00 55.16 C ATOM 776 CD GLU A 79 -24.711 13.725 3.421 1.00 56.60 C ATOM 777 OE1 GLU A 79 -24.571 14.819 4.017 1.00 55.13 O ATOM 778 OE2 GLU A 79 -25.476 13.556 2.443 1.00 58.06 O ATOM 779 HA GLU A 79 -22.613 10.807 5.477 1.00 0.00 H ATOM 780 HB2 GLU A 79 -23.177 13.316 5.749 1.00 0.00 H ATOM 781 HB3 GLU A 79 -22.127 13.598 4.341 1.00 0.00 H ATOM 782 HG2 GLU A 79 -23.526 12.006 3.037 1.00 0.00 H ATOM 783 HG3 GLU A 79 -24.614 11.864 4.438 1.00 0.00 H ATOM 784 H GLU A 79 -21.057 12.841 6.766 1.00 0.00 H ATOM 785 N SER A 80 -19.924 11.658 3.852 1.00 47.67 N ATOM 786 CA SER A 80 -19.092 11.315 2.700 1.00 47.67 C ATOM 787 C SER A 80 -17.934 10.388 3.072 1.00 47.69 C ATOM 788 O SER A 80 -16.945 10.317 2.336 1.00 46.68 O ATOM 789 CB SER A 80 -18.525 12.593 2.083 1.00 44.51 C ATOM 790 OG SER A 80 -17.823 13.339 3.061 1.00 43.72 O ATOM 791 HA SER A 80 -19.727 10.788 1.988 1.00 0.00 H ATOM 792 HB2 SER A 80 -19.343 13.196 1.688 1.00 0.00 H ATOM 793 HB3 SER A 80 -17.845 12.331 1.273 1.00 0.00 H ATOM 794 HG SER A 80 -18.440 13.580 3.797 1.00 0.00 H ATOM 795 H SER A 80 -19.535 12.267 4.600 1.00 0.00 H ATOM 796 N LYS A 81 -18.044 9.685 4.203 1.00 47.40 N ATOM 797 CA LYS A 81 -16.965 8.788 4.637 1.00 47.57 C ATOM 798 C LYS A 81 -16.678 7.602 3.720 1.00 46.91 C ATOM 799 O LYS A 81 -15.564 7.092 3.727 1.00 47.73 O ATOM 800 CB LYS A 81 -17.203 8.255 6.066 1.00 48.02 C ATOM 801 CG LYS A 81 -18.371 7.255 6.266 1.00 47.25 C ATOM 802 CD LYS A 81 -18.457 6.817 7.749 1.00 49.01 C ATOM 803 CE LYS A 81 -19.727 6.004 8.044 1.00 49.96 C ATOM 804 NZ LYS A 81 -20.089 5.138 6.881 1.00 50.24 N ATOM 805 HA LYS A 81 -16.085 9.430 4.600 1.00 0.00 H ATOM 806 HB2 LYS A 81 -16.288 7.758 6.387 1.00 0.00 H ATOM 807 HB3 LYS A 81 -17.393 9.114 6.709 1.00 0.00 H ATOM 808 HG2 LYS A 81 -19.307 7.733 5.977 1.00 0.00 H ATOM 809 HG3 LYS A 81 -18.204 6.378 5.641 1.00 0.00 H ATOM 810 HD2 LYS A 81 -17.586 6.206 7.985 1.00 0.00 H ATOM 811 HD3 LYS A 81 -18.456 7.707 8.378 1.00 0.00 H ATOM 812 HE2 LYS A 81 -20.550 6.689 8.249 1.00 0.00 H ATOM 813 HE3 LYS A 81 -19.553 5.375 8.917 1.00 0.00 H ATOM 814 HZ1 LYS A 81 -20.260 5.734 6.046 1.00 0.00 H ATOM 815 HZ2 LYS A 81 -19.308 4.480 6.684 1.00 0.00 H ATOM 816 HZ3 LYS A 81 -20.950 4.600 7.106 1.00 0.00 H ATOM 817 H LYS A 81 -18.903 9.774 4.782 1.00 0.00 H ATOM 818 N ASP A 82 -17.668 7.149 2.952 1.00 47.65 N ATOM 819 CA ASP A 82 -17.473 6.011 2.048 1.00 48.10 C ATOM 820 C ASP A 82 -17.168 6.524 0.644 1.00 47.17 C ATOM 821 O ASP A 82 -17.161 5.762 -0.328 1.00 45.65 O ATOM 822 CB ASP A 82 -18.731 5.121 1.989 1.00 50.88 C ATOM 823 CG ASP A 82 -19.157 4.592 3.365 1.00 55.02 C ATOM 824 OD1 ASP A 82 -18.309 4.016 4.091 1.00 54.73 O ATOM 825 OD2 ASP A 82 -20.351 4.746 3.713 1.00 56.82 O ATOM 826 HA ASP A 82 -16.642 5.417 2.428 1.00 0.00 H ATOM 827 HB2 ASP A 82 -19.551 5.706 1.572 1.00 0.00 H ATOM 828 HB3 ASP A 82 -18.525 4.271 1.338 1.00 0.00 H ATOM 829 H ASP A 82 -18.598 7.612 2.995 1.00 0.00 H ATOM 830 N TYR A 83 -16.901 7.822 0.545 1.00 44.86 N ATOM 831 CA TYR A 83 -16.624 8.433 -0.747 1.00 42.60 C ATOM 832 C TYR A 83 -15.288 9.145 -0.877 1.00 40.67 C ATOM 833 O TYR A 83 -14.580 9.428 0.093 1.00 39.66 O ATOM 834 CB TYR A 83 -17.727 9.447 -1.091 1.00 43.01 C ATOM 835 CG TYR A 83 -19.090 8.848 -1.342 1.00 42.84 C ATOM 836 CD1 TYR A 83 -19.536 8.604 -2.638 1.00 43.29 C ATOM 837 CD2 TYR A 83 -19.943 8.538 -0.283 1.00 45.96 C ATOM 838 CE1 TYR A 83 -20.790 8.039 -2.878 1.00 44.09 C ATOM 839 CE2 TYR A 83 -21.205 7.968 -0.509 1.00 45.14 C ATOM 840 CZ TYR A 83 -21.626 7.736 -1.810 1.00 44.70 C ATOM 841 OH TYR A 83 -22.873 7.196 -2.051 1.00 47.38 O ATOM 842 HA TYR A 83 -16.590 7.589 -1.436 1.00 0.00 H ATOM 843 HB3 TYR A 83 -17.424 9.985 -1.989 1.00 0.00 H ATOM 844 HB2 TYR A 83 -17.813 10.148 -0.261 1.00 0.00 H ATOM 845 HD2 TYR A 83 -19.623 8.742 0.739 1.00 0.00 H ATOM 846 HE2 TYR A 83 -21.849 7.710 0.331 1.00 0.00 H ATOM 847 HE1 TYR A 83 -21.112 7.836 -3.899 1.00 0.00 H ATOM 848 HD1 TYR A 83 -18.894 8.859 -3.481 1.00 0.00 H ATOM 849 HH TYR A 83 -23.006 7.099 -3.027 1.00 0.00 H ATOM 850 H TYR A 83 -16.890 8.410 1.403 1.00 0.00 H ATOM 851 N LEU A 84 -14.954 9.436 -2.121 1.00 40.85 N ATOM 852 CA LEU A 84 -13.755 10.184 -2.419 1.00 39.24 C ATOM 853 C LEU A 84 -14.322 11.537 -2.853 1.00 37.66 C ATOM 854 O LEU A 84 -15.281 11.587 -3.620 1.00 36.77 O ATOM 855 CB LEU A 84 -12.977 9.511 -3.550 1.00 40.42 C ATOM 856 CG LEU A 84 -11.651 10.141 -3.999 1.00 41.39 C ATOM 857 CD1 LEU A 84 -10.718 9.047 -4.500 1.00 42.16 C ATOM 858 CD2 LEU A 84 -11.904 11.180 -5.082 1.00 38.09 C ATOM 859 HA LEU A 84 -13.052 10.259 -1.589 1.00 0.00 H ATOM 860 HB2 LEU A 84 -12.758 8.492 -3.229 1.00 0.00 H ATOM 861 HB3 LEU A 84 -13.632 9.484 -4.421 1.00 0.00 H ATOM 862 HG LEU A 84 -11.180 10.645 -3.155 1.00 0.00 H ATOM 863 HD21 LEU A 84 -12.381 10.702 -5.938 1.00 0.00 H ATOM 864 HD22 LEU A 84 -12.556 11.960 -4.690 1.00 0.00 H ATOM 865 HD23 LEU A 84 -10.955 11.619 -5.391 1.00 0.00 H ATOM 866 HD11 LEU A 84 -10.531 8.335 -3.696 1.00 0.00 H ATOM 867 HD12 LEU A 84 -11.182 8.533 -5.342 1.00 0.00 H ATOM 868 HD13 LEU A 84 -9.776 9.493 -4.819 1.00 0.00 H ATOM 869 H LEU A 84 -15.566 9.121 -2.901 1.00 0.00 H ATOM 870 N SER A 85 -13.761 12.624 -2.330 1.00 37.40 N ATOM 871 CA SER A 85 -14.225 13.966 -2.665 1.00 36.39 C ATOM 872 C SER A 85 -13.350 14.686 -3.709 1.00 35.70 C ATOM 873 O SER A 85 -12.116 14.651 -3.644 1.00 35.46 O ATOM 874 CB SER A 85 -14.316 14.811 -1.389 1.00 37.73 C ATOM 875 OG SER A 85 -15.235 14.256 -0.459 1.00 36.30 O ATOM 876 HA SER A 85 -15.208 13.849 -3.122 1.00 0.00 H ATOM 877 HB2 SER A 85 -14.643 15.817 -1.653 1.00 0.00 H ATOM 878 HB3 SER A 85 -13.330 14.861 -0.926 1.00 0.00 H ATOM 879 HG SER A 85 -16.134 14.213 -0.871 1.00 0.00 H ATOM 880 H SER A 85 -12.970 12.514 -1.664 1.00 0.00 H ATOM 881 N LEU A 86 -14.002 15.342 -4.667 1.00 34.69 N ATOM 882 CA LEU A 86 -13.306 16.071 -5.725 1.00 34.52 C ATOM 883 C LEU A 86 -13.813 17.510 -5.852 1.00 33.97 C ATOM 884 O LEU A 86 -15.012 17.747 -6.032 1.00 33.78 O ATOM 885 CB LEU A 86 -13.476 15.339 -7.055 1.00 33.23 C ATOM 886 CG LEU A 86 -12.825 15.959 -8.296 1.00 34.25 C ATOM 887 CD1 LEU A 86 -11.294 16.173 -8.122 1.00 31.23 C ATOM 888 CD2 LEU A 86 -13.116 15.009 -9.447 1.00 33.66 C ATOM 889 HA LEU A 86 -12.249 16.115 -5.461 1.00 0.00 H ATOM 890 HB2 LEU A 86 -13.059 14.339 -6.933 1.00 0.00 H ATOM 891 HB3 LEU A 86 -14.546 15.263 -7.251 1.00 0.00 H ATOM 892 HG LEU A 86 -13.235 16.952 -8.479 1.00 0.00 H ATOM 893 HD21 LEU A 86 -12.688 14.031 -9.226 1.00 0.00 H ATOM 894 HD22 LEU A 86 -14.194 14.915 -9.575 1.00 0.00 H ATOM 895 HD23 LEU A 86 -12.673 15.403 -10.362 1.00 0.00 H ATOM 896 HD11 LEU A 86 -11.115 16.841 -7.279 1.00 0.00 H ATOM 897 HD12 LEU A 86 -10.813 15.213 -7.934 1.00 0.00 H ATOM 898 HD13 LEU A 86 -10.885 16.614 -9.031 1.00 0.00 H ATOM 899 H LEU A 86 -15.042 15.335 -4.662 1.00 0.00 H ATOM 900 N TYR A 87 -12.884 18.458 -5.769 1.00 32.68 N ATOM 901 CA TYR A 87 -13.198 19.882 -5.848 1.00 33.53 C ATOM 902 C TYR A 87 -12.315 20.599 -6.853 1.00 33.09 C ATOM 903 O TYR A 87 -11.208 20.146 -7.161 1.00 31.06 O ATOM 904 CB TYR A 87 -12.983 20.551 -4.482 1.00 33.57 C ATOM 905 CG TYR A 87 -13.916 20.070 -3.404 1.00 35.34 C ATOM 906 CD1 TYR A 87 -15.175 20.646 -3.242 1.00 34.38 C ATOM 907 CD2 TYR A 87 -13.557 19.012 -2.568 1.00 36.68 C ATOM 908 CE1 TYR A 87 -16.058 20.186 -2.274 1.00 36.74 C ATOM 909 CE2 TYR A 87 -14.439 18.536 -1.590 1.00 38.52 C ATOM 910 CZ TYR A 87 -15.690 19.126 -1.455 1.00 38.86 C ATOM 911 OH TYR A 87 -16.584 18.643 -0.525 1.00 39.95 O ATOM 912 HA TYR A 87 -14.240 19.957 -6.161 1.00 0.00 H ATOM 913 HB3 TYR A 87 -13.124 21.625 -4.602 1.00 0.00 H ATOM 914 HB2 TYR A 87 -11.960 20.353 -4.162 1.00 0.00 H ATOM 915 HD2 TYR A 87 -12.576 18.549 -2.678 1.00 0.00 H ATOM 916 HE2 TYR A 87 -14.147 17.711 -0.941 1.00 0.00 H ATOM 917 HE1 TYR A 87 -17.035 20.654 -2.157 1.00 0.00 H ATOM 918 HD1 TYR A 87 -15.472 21.473 -3.887 1.00 0.00 H ATOM 919 HH TYR A 87 -17.418 19.175 -0.563 1.00 0.00 H ATOM 920 H TYR A 87 -11.892 18.173 -5.642 1.00 0.00 H ATOM 921 N LEU A 88 -12.833 21.716 -7.363 1.00 33.94 N ATOM 922 CA LEU A 88 -12.107 22.575 -8.289 1.00 33.74 C ATOM 923 C LEU A 88 -11.729 23.770 -7.421 1.00 35.47 C ATOM 924 O LEU A 88 -12.580 24.353 -6.744 1.00 34.90 O ATOM 925 CB LEU A 88 -12.997 23.038 -9.436 1.00 32.08 C ATOM 926 CG LEU A 88 -12.380 24.088 -10.373 1.00 33.14 C ATOM 927 CD1 LEU A 88 -11.193 23.478 -11.150 1.00 26.72 C ATOM 928 CD2 LEU A 88 -13.478 24.624 -11.329 1.00 30.11 C ATOM 929 HA LEU A 88 -11.258 22.069 -8.749 1.00 0.00 H ATOM 930 HB2 LEU A 88 -13.255 22.164 -10.034 1.00 0.00 H ATOM 931 HB3 LEU A 88 -13.904 23.463 -9.006 1.00 0.00 H ATOM 932 HG LEU A 88 -11.991 24.924 -9.792 1.00 0.00 H ATOM 933 HD21 LEU A 88 -13.881 23.799 -11.917 1.00 0.00 H ATOM 934 HD22 LEU A 88 -14.277 25.079 -10.744 1.00 0.00 H ATOM 935 HD23 LEU A 88 -13.045 25.369 -11.996 1.00 0.00 H ATOM 936 HD11 LEU A 88 -10.434 23.139 -10.445 1.00 0.00 H ATOM 937 HD12 LEU A 88 -11.544 22.633 -11.742 1.00 0.00 H ATOM 938 HD13 LEU A 88 -10.766 24.233 -11.810 1.00 0.00 H ATOM 939 H LEU A 88 -13.799 21.987 -7.088 1.00 0.00 H ATOM 940 N LEU A 89 -10.453 24.127 -7.437 1.00 36.24 N ATOM 941 CA LEU A 89 -9.971 25.230 -6.619 1.00 38.24 C ATOM 942 C LEU A 89 -9.375 26.377 -7.441 1.00 36.89 C ATOM 943 O LEU A 89 -8.632 26.159 -8.389 1.00 35.43 O ATOM 944 CB LEU A 89 -8.926 24.688 -5.621 1.00 38.38 C ATOM 945 CG LEU A 89 -8.145 25.660 -4.727 1.00 41.72 C ATOM 946 CD1 LEU A 89 -9.093 26.340 -3.745 1.00 42.86 C ATOM 947 CD2 LEU A 89 -7.051 24.898 -3.966 1.00 41.91 C ATOM 948 HA LEU A 89 -10.828 25.650 -6.092 1.00 0.00 H ATOM 949 HB2 LEU A 89 -9.451 24.001 -4.957 1.00 0.00 H ATOM 950 HB3 LEU A 89 -8.190 24.135 -6.205 1.00 0.00 H ATOM 951 HG LEU A 89 -7.678 26.424 -5.349 1.00 0.00 H ATOM 952 HD21 LEU A 89 -7.510 24.127 -3.347 1.00 0.00 H ATOM 953 HD22 LEU A 89 -6.369 24.435 -4.679 1.00 0.00 H ATOM 954 HD23 LEU A 89 -6.499 25.593 -3.333 1.00 0.00 H ATOM 955 HD11 LEU A 89 -9.853 26.892 -4.298 1.00 0.00 H ATOM 956 HD12 LEU A 89 -9.572 25.585 -3.122 1.00 0.00 H ATOM 957 HD13 LEU A 89 -8.529 27.028 -3.115 1.00 0.00 H ATOM 958 H LEU A 89 -9.785 23.610 -8.044 1.00 0.00 H ATOM 959 N LEU A 90 -9.731 27.604 -7.081 1.00 39.96 N ATOM 960 CA LEU A 90 -9.192 28.776 -7.755 1.00 42.63 C ATOM 961 C LEU A 90 -7.954 29.158 -6.939 1.00 43.89 C ATOM 962 O LEU A 90 -8.057 29.661 -5.819 1.00 42.55 O ATOM 963 CB LEU A 90 -10.221 29.917 -7.768 1.00 43.13 C ATOM 964 CG LEU A 90 -9.827 31.220 -8.485 1.00 44.37 C ATOM 965 CD1 LEU A 90 -9.282 30.934 -9.882 1.00 42.65 C ATOM 966 CD2 LEU A 90 -11.047 32.121 -8.569 1.00 44.06 C ATOM 967 HA LEU A 90 -8.947 28.579 -8.799 1.00 0.00 H ATOM 968 HB2 LEU A 90 -11.123 29.539 -8.250 1.00 0.00 H ATOM 969 HB3 LEU A 90 -10.443 30.169 -6.731 1.00 0.00 H ATOM 970 HG LEU A 90 -9.038 31.715 -7.919 1.00 0.00 H ATOM 971 HD21 LEU A 90 -11.833 31.614 -9.128 1.00 0.00 H ATOM 972 HD22 LEU A 90 -11.402 32.345 -7.563 1.00 0.00 H ATOM 973 HD23 LEU A 90 -10.778 33.048 -9.076 1.00 0.00 H ATOM 974 HD11 LEU A 90 -8.400 30.298 -9.803 1.00 0.00 H ATOM 975 HD12 LEU A 90 -10.046 30.427 -10.472 1.00 0.00 H ATOM 976 HD13 LEU A 90 -9.012 31.873 -10.365 1.00 0.00 H ATOM 977 H LEU A 90 -10.408 27.730 -6.302 1.00 0.00 H ATOM 978 N VAL A 91 -6.784 28.887 -7.501 1.00 47.00 N ATOM 979 CA VAL A 91 -5.523 29.159 -6.825 1.00 49.27 C ATOM 980 C VAL A 91 -5.141 30.641 -6.799 1.00 51.17 C ATOM 981 O VAL A 91 -4.998 31.229 -5.730 1.00 49.88 O ATOM 982 CB VAL A 91 -4.393 28.327 -7.474 1.00 49.61 C ATOM 983 CG1 VAL A 91 -3.055 28.626 -6.809 1.00 50.53 C ATOM 984 CG2 VAL A 91 -4.726 26.849 -7.349 1.00 48.52 C ATOM 985 HA VAL A 91 -5.661 28.867 -5.784 1.00 0.00 H ATOM 986 HB VAL A 91 -4.312 28.594 -8.528 1.00 0.00 H ATOM 987 HG11 VAL A 91 -2.823 29.685 -6.922 1.00 0.00 H ATOM 988 HG12 VAL A 91 -3.113 28.376 -5.750 1.00 0.00 H ATOM 989 HG13 VAL A 91 -2.275 28.030 -7.282 1.00 0.00 H ATOM 990 HG21 VAL A 91 -4.816 26.586 -6.295 1.00 0.00 H ATOM 991 HG22 VAL A 91 -5.669 26.646 -7.857 1.00 0.00 H ATOM 992 HG23 VAL A 91 -3.931 26.259 -7.806 1.00 0.00 H ATOM 993 H VAL A 91 -6.766 28.468 -8.453 1.00 0.00 H ATOM 994 N SER A 92 -4.978 31.243 -7.968 1.00 54.42 N ATOM 995 CA SER A 92 -4.606 32.649 -8.028 1.00 59.38 C ATOM 996 C SER A 92 -5.621 33.433 -8.835 1.00 62.38 C ATOM 997 O SER A 92 -6.002 33.023 -9.934 1.00 62.12 O ATOM 998 CB SER A 92 -3.217 32.805 -8.653 1.00 60.03 C ATOM 999 OG SER A 92 -3.217 32.385 -10.006 1.00 61.29 O ATOM 1000 HA SER A 92 -4.585 33.041 -7.011 1.00 0.00 H ATOM 1001 HB2 SER A 92 -2.504 32.201 -8.092 1.00 0.00 H ATOM 1002 HB3 SER A 92 -2.920 33.853 -8.605 1.00 0.00 H ATOM 1003 HG SER A 92 -3.860 32.934 -10.521 1.00 0.00 H ATOM 1004 H SER A 92 -5.117 30.707 -8.849 1.00 0.00 H ATOM 1005 N CYS A 93 -6.052 34.561 -8.280 1.00 66.34 N ATOM 1006 CA CYS A 93 -7.031 35.424 -8.936 1.00 70.86 C ATOM 1007 C CYS A 93 -6.571 36.884 -8.878 1.00 72.11 C ATOM 1008 O CYS A 93 -6.434 37.456 -7.796 1.00 72.70 O ATOM 1009 CB CYS A 93 -8.393 35.275 -8.249 1.00 71.54 C ATOM 1010 SG CYS A 93 -9.749 36.149 -9.054 1.00 76.03 S ATOM 1011 HA CYS A 93 -7.123 35.128 -9.981 1.00 0.00 H ATOM 1012 HB2 CYS A 93 -8.302 35.654 -7.231 1.00 0.00 H ATOM 1013 HB3 CYS A 93 -8.643 34.215 -8.219 1.00 0.00 H ATOM 1014 HG CYS A 93 -10.915 35.939 -8.346 1.00 0.00 H ATOM 1015 H CYS A 93 -5.680 34.838 -7.349 1.00 0.00 H ATOM 1016 N PRO A 94 -6.299 37.494 -10.049 1.00 73.67 N ATOM 1017 CA PRO A 94 -5.853 38.889 -10.133 1.00 74.05 C ATOM 1018 C PRO A 94 -6.923 39.819 -10.718 1.00 74.16 C ATOM 1019 O PRO A 94 -7.860 40.225 -10.030 1.00 74.34 O ATOM 1020 CB PRO A 94 -4.639 38.785 -11.040 1.00 74.28 C ATOM 1021 CG PRO A 94 -5.138 37.814 -12.086 1.00 74.22 C ATOM 1022 CD PRO A 94 -5.951 36.773 -11.290 1.00 74.18 C ATOM 1023 HA PRO A 94 -5.639 39.326 -9.158 1.00 0.00 H ATOM 1024 HD3 PRO A 94 -6.847 36.477 -11.835 1.00 0.00 H ATOM 1025 HD2 PRO A 94 -5.350 35.890 -11.074 1.00 0.00 H ATOM 1026 HG3 PRO A 94 -4.303 37.339 -12.601 1.00 0.00 H ATOM 1027 HG2 PRO A 94 -5.770 38.323 -12.814 1.00 0.00 H ATOM 1028 HB2 PRO A 94 -4.384 39.750 -11.479 1.00 0.00 H ATOM 1029 HB3 PRO A 94 -3.774 38.389 -10.507 1.00 0.00 H TER 1030 PRO A 94 ATOM 1031 N GLU A 97 -15.393 36.870 -7.938 1.00 49.53 N ATOM 1032 CA GLU A 97 -14.701 37.652 -8.957 1.00 51.09 C ATOM 1033 C GLU A 97 -14.628 36.867 -10.265 1.00 50.66 C ATOM 1034 O GLU A 97 -14.153 37.377 -11.281 1.00 50.90 O ATOM 1035 CB GLU A 97 -13.290 38.024 -8.475 1.00 51.96 C ATOM 1036 HA GLU A 97 -15.260 38.571 -9.134 1.00 0.00 H ATOM 1037 HB2 GLU A 97 -13.363 38.614 -7.561 1.00 0.00 H ATOM 1038 HB3 GLU A 97 -12.723 37.114 -8.277 1.00 0.00 H ATOM 1039 HN3 GLU A 97 -14.877 35.982 -7.774 1.00 0.00 H ATOM 1040 HN2 GLU A 97 -16.358 36.657 -8.262 1.00 0.00 H ATOM 1041 HN1 GLU A 97 -15.436 37.416 -7.054 1.00 0.00 H ATOM 1042 N VAL A 98 -15.104 35.624 -10.224 1.00 49.60 N ATOM 1043 CA VAL A 98 -15.131 34.738 -11.388 1.00 47.28 C ATOM 1044 C VAL A 98 -16.245 33.708 -11.220 1.00 45.92 C ATOM 1045 O VAL A 98 -16.441 33.179 -10.131 1.00 46.91 O ATOM 1046 CB VAL A 98 -13.782 33.978 -11.568 1.00 47.20 C ATOM 1047 CG1 VAL A 98 -13.960 32.804 -12.501 1.00 46.98 C ATOM 1048 CG2 VAL A 98 -12.738 34.901 -12.139 1.00 47.82 C ATOM 1049 HA VAL A 98 -15.303 35.358 -12.268 1.00 0.00 H ATOM 1050 HB VAL A 98 -13.460 33.620 -10.590 1.00 0.00 H ATOM 1051 HG11 VAL A 98 -14.701 32.121 -12.086 1.00 0.00 H ATOM 1052 HG12 VAL A 98 -14.299 33.162 -13.473 1.00 0.00 H ATOM 1053 HG13 VAL A 98 -13.008 32.285 -12.615 1.00 0.00 H ATOM 1054 HG21 VAL A 98 -13.073 35.270 -13.108 1.00 0.00 H ATOM 1055 HG22 VAL A 98 -12.588 35.741 -11.461 1.00 0.00 H ATOM 1056 HG23 VAL A 98 -11.801 34.357 -12.260 1.00 0.00 H ATOM 1057 H VAL A 98 -15.475 35.266 -9.321 1.00 0.00 H ATOM 1058 N ARG A 99 -16.970 33.437 -12.300 1.00 44.20 N ATOM 1059 CA ARG A 99 -18.053 32.459 -12.287 1.00 43.43 C ATOM 1060 C ARG A 99 -17.700 31.344 -13.268 1.00 43.13 C ATOM 1061 O ARG A 99 -17.198 31.605 -14.366 1.00 40.55 O ATOM 1062 CB ARG A 99 -19.385 33.111 -12.684 1.00 45.69 C ATOM 1063 CG ARG A 99 -19.906 34.155 -11.686 1.00 49.94 C ATOM 1064 CD ARG A 99 -21.281 34.680 -12.094 1.00 53.45 C ATOM 1065 NE ARG A 99 -21.295 35.117 -13.488 1.00 58.67 N ATOM 1066 CZ ARG A 99 -22.347 35.645 -14.111 1.00 61.04 C ATOM 1067 NH1 ARG A 99 -23.498 35.814 -13.468 1.00 61.55 N ATOM 1068 NH2 ARG A 99 -22.249 35.992 -15.391 1.00 61.56 N ATOM 1069 HA ARG A 99 -18.170 32.056 -11.281 1.00 0.00 H ATOM 1070 HB2 ARG A 99 -19.251 33.600 -13.649 1.00 0.00 H ATOM 1071 HB3 ARG A 99 -20.135 32.325 -12.777 1.00 0.00 H ATOM 1072 HG2 ARG A 99 -19.979 33.697 -10.700 1.00 0.00 H ATOM 1073 HG3 ARG A 99 -19.205 34.989 -11.647 1.00 0.00 H ATOM 1074 HD2 ARG A 99 -21.542 35.524 -11.455 1.00 0.00 H ATOM 1075 HD3 ARG A 99 -22.017 33.886 -11.964 1.00 0.00 H ATOM 1076 HE ARG A 99 -20.417 35.008 -14.035 1.00 0.00 H ATOM 1077 HH12 ARG A 99 -24.314 36.227 -13.963 1.00 0.00 H ATOM 1078 HH11 ARG A 99 -23.582 35.533 -12.470 1.00 0.00 H ATOM 1079 HH22 ARG A 99 -23.068 36.405 -15.882 1.00 0.00 H ATOM 1080 HH21 ARG A 99 -21.354 35.851 -15.901 1.00 0.00 H ATOM 1081 H ARG A 99 -16.758 33.939 -13.186 1.00 0.00 H ATOM 1082 N ALA A 100 -17.947 30.098 -12.879 1.00 40.39 N ATOM 1083 CA ALA A 100 -17.614 28.999 -13.769 1.00 40.96 C ATOM 1084 C ALA A 100 -18.355 27.692 -13.499 1.00 40.37 C ATOM 1085 O ALA A 100 -18.717 27.381 -12.361 1.00 40.10 O ATOM 1086 CB ALA A 100 -16.087 28.751 -13.735 1.00 40.41 C ATOM 1087 HA ALA A 100 -17.946 29.316 -14.758 1.00 0.00 H ATOM 1088 HB1 ALA A 100 -15.567 29.652 -14.059 1.00 0.00 H ATOM 1089 HB2 ALA A 100 -15.783 28.501 -12.719 1.00 0.00 H ATOM 1090 HB3 ALA A 100 -15.839 27.926 -14.403 1.00 0.00 H ATOM 1091 H ALA A 100 -18.373 29.912 -11.949 1.00 0.00 H ATOM 1092 N LYS A 101 -18.589 26.941 -14.568 1.00 39.74 N ATOM 1093 CA LYS A 101 -19.228 25.641 -14.466 1.00 40.98 C ATOM 1094 C LYS A 101 -18.106 24.621 -14.599 1.00 39.77 C ATOM 1095 O LYS A 101 -17.055 24.919 -15.182 1.00 38.10 O ATOM 1096 CB LYS A 101 -20.239 25.433 -15.595 1.00 43.41 C ATOM 1097 CG LYS A 101 -21.555 26.145 -15.370 1.00 47.03 C ATOM 1098 CD LYS A 101 -22.558 25.734 -16.422 1.00 51.89 C ATOM 1099 CE LYS A 101 -22.311 26.470 -17.720 1.00 54.59 C ATOM 1100 NZ LYS A 101 -22.543 27.937 -17.536 1.00 58.34 N ATOM 1101 HA LYS A 101 -19.770 25.547 -13.525 1.00 0.00 H ATOM 1102 HB2 LYS A 101 -19.801 25.803 -16.522 1.00 0.00 H ATOM 1103 HB3 LYS A 101 -20.436 24.365 -15.688 1.00 0.00 H ATOM 1104 HG2 LYS A 101 -21.941 25.886 -14.384 1.00 0.00 H ATOM 1105 HG3 LYS A 101 -21.396 27.222 -15.425 1.00 0.00 H ATOM 1106 HD2 LYS A 101 -22.472 24.662 -16.598 1.00 0.00 H ATOM 1107 HD3 LYS A 101 -23.563 25.964 -16.067 1.00 0.00 H ATOM 1108 HE2 LYS A 101 -22.990 26.091 -18.484 1.00 0.00 H ATOM 1109 HE3 LYS A 101 -21.281 26.305 -18.037 1.00 0.00 H ATOM 1110 HZ1 LYS A 101 -23.526 28.096 -17.236 1.00 0.00 H ATOM 1111 HZ2 LYS A 101 -21.894 28.301 -16.809 1.00 0.00 H ATOM 1112 HZ3 LYS A 101 -22.370 28.430 -18.435 1.00 0.00 H ATOM 1113 H LYS A 101 -18.307 27.293 -15.505 1.00 0.00 H ATOM 1114 N PHE A 102 -18.319 23.423 -14.063 1.00 37.07 N ATOM 1115 CA PHE A 102 -17.298 22.385 -14.143 1.00 36.12 C ATOM 1116 C PHE A 102 -17.922 21.006 -14.228 1.00 36.78 C ATOM 1117 O PHE A 102 -19.089 20.810 -13.875 1.00 36.42 O ATOM 1118 CB PHE A 102 -16.356 22.439 -12.930 1.00 32.89 C ATOM 1119 CG PHE A 102 -17.078 22.571 -11.614 1.00 32.85 C ATOM 1120 CD1 PHE A 102 -17.486 23.826 -11.154 1.00 30.14 C ATOM 1121 CD2 PHE A 102 -17.412 21.441 -10.870 1.00 33.89 C ATOM 1122 CE1 PHE A 102 -18.236 23.954 -9.978 1.00 32.15 C ATOM 1123 CE2 PHE A 102 -18.168 21.556 -9.688 1.00 33.67 C ATOM 1124 CZ PHE A 102 -18.574 22.826 -9.243 1.00 33.78 C ATOM 1125 HA PHE A 102 -16.724 22.572 -15.050 1.00 0.00 H ATOM 1126 HB2 PHE A 102 -15.766 21.523 -12.910 1.00 0.00 H ATOM 1127 HB3 PHE A 102 -15.691 23.295 -13.047 1.00 0.00 H ATOM 1128 HD2 PHE A 102 -17.084 20.457 -11.207 1.00 0.00 H ATOM 1129 HE2 PHE A 102 -18.437 20.665 -9.121 1.00 0.00 H ATOM 1130 HZ PHE A 102 -19.152 22.925 -8.324 1.00 0.00 H ATOM 1131 HE1 PHE A 102 -18.554 24.940 -9.640 1.00 0.00 H ATOM 1132 HD1 PHE A 102 -17.217 24.718 -11.719 1.00 0.00 H ATOM 1133 H PHE A 102 -19.220 23.225 -13.583 1.00 0.00 H ATOM 1134 N LYS A 103 -17.114 20.060 -14.699 1.00 35.07 N ATOM 1135 CA LYS A 103 -17.510 18.674 -14.860 1.00 34.68 C ATOM 1136 C LYS A 103 -16.301 17.803 -14.529 1.00 34.39 C ATOM 1137 O LYS A 103 -15.179 18.102 -14.928 1.00 33.72 O ATOM 1138 CB LYS A 103 -17.953 18.426 -16.306 1.00 36.94 C ATOM 1139 CG LYS A 103 -18.277 16.980 -16.649 1.00 38.65 C ATOM 1140 CD LYS A 103 -18.541 16.834 -18.149 1.00 41.29 C ATOM 1141 CE LYS A 103 -18.595 15.383 -18.583 1.00 42.15 C ATOM 1142 NZ LYS A 103 -18.695 15.277 -20.071 1.00 48.36 N ATOM 1143 HA LYS A 103 -18.343 18.434 -14.199 1.00 0.00 H ATOM 1144 HB2 LYS A 103 -18.845 19.024 -16.492 1.00 0.00 H ATOM 1145 HB3 LYS A 103 -17.151 18.757 -16.965 1.00 0.00 H ATOM 1146 HG2 LYS A 103 -17.435 16.347 -16.369 1.00 0.00 H ATOM 1147 HG3 LYS A 103 -19.163 16.669 -16.096 1.00 0.00 H ATOM 1148 HD2 LYS A 103 -19.494 17.307 -18.386 1.00 0.00 H ATOM 1149 HD3 LYS A 103 -17.743 17.335 -18.696 1.00 0.00 H ATOM 1150 HE2 LYS A 103 -19.465 14.907 -18.131 1.00 0.00 H ATOM 1151 HE3 LYS A 103 -17.690 14.876 -18.248 1.00 0.00 H ATOM 1152 HZ1 LYS A 103 -19.559 15.756 -20.394 1.00 0.00 H ATOM 1153 HZ2 LYS A 103 -17.864 15.727 -20.506 1.00 0.00 H ATOM 1154 HZ3 LYS A 103 -18.731 14.274 -20.344 1.00 0.00 H ATOM 1155 H LYS A 103 -16.146 20.329 -14.966 1.00 0.00 H ATOM 1156 N PHE A 104 -16.542 16.727 -13.791 1.00 33.50 N ATOM 1157 CA PHE A 104 -15.492 15.800 -13.417 1.00 33.30 C ATOM 1158 C PHE A 104 -15.883 14.418 -13.910 1.00 33.87 C ATOM 1159 O PHE A 104 -17.060 14.050 -13.910 1.00 35.16 O ATOM 1160 CB PHE A 104 -15.332 15.732 -11.889 1.00 32.66 C ATOM 1161 CG PHE A 104 -15.128 17.074 -11.224 1.00 31.58 C ATOM 1162 CD1 PHE A 104 -14.090 17.904 -11.613 1.00 29.48 C ATOM 1163 CD2 PHE A 104 -15.926 17.462 -10.144 1.00 30.78 C ATOM 1164 CE1 PHE A 104 -13.857 19.117 -10.958 1.00 31.41 C ATOM 1165 CE2 PHE A 104 -15.700 18.671 -9.485 1.00 32.54 C ATOM 1166 CZ PHE A 104 -14.650 19.495 -9.888 1.00 30.85 C ATOM 1167 HA PHE A 104 -14.553 16.137 -13.857 1.00 0.00 H ATOM 1168 HB2 PHE A 104 -16.230 15.277 -11.471 1.00 0.00 H ATOM 1169 HB3 PHE A 104 -14.470 15.104 -11.663 1.00 0.00 H ATOM 1170 HD2 PHE A 104 -16.735 16.812 -9.812 1.00 0.00 H ATOM 1171 HE2 PHE A 104 -16.343 18.970 -8.657 1.00 0.00 H ATOM 1172 HZ PHE A 104 -14.455 20.431 -9.364 1.00 0.00 H ATOM 1173 HE1 PHE A 104 -13.048 19.767 -11.291 1.00 0.00 H ATOM 1174 HD1 PHE A 104 -13.446 17.608 -12.441 1.00 0.00 H ATOM 1175 H PHE A 104 -17.514 16.543 -13.471 1.00 0.00 H ATOM 1176 N SER A 105 -14.895 13.652 -14.336 1.00 33.93 N ATOM 1177 CA SER A 105 -15.142 12.295 -14.774 1.00 35.41 C ATOM 1178 C SER A 105 -13.873 11.505 -14.550 1.00 36.75 C ATOM 1179 O SER A 105 -12.783 12.070 -14.476 1.00 36.61 O ATOM 1180 CB SER A 105 -15.534 12.246 -16.255 1.00 35.93 C ATOM 1181 OG SER A 105 -14.519 12.769 -17.086 1.00 36.19 O ATOM 1182 HA SER A 105 -15.972 11.874 -14.207 1.00 0.00 H ATOM 1183 HB2 SER A 105 -16.443 12.830 -16.399 1.00 0.00 H ATOM 1184 HB3 SER A 105 -15.721 11.210 -16.536 1.00 0.00 H ATOM 1185 HG SER A 105 -14.347 13.713 -16.841 1.00 0.00 H ATOM 1186 H SER A 105 -13.926 14.029 -14.357 1.00 0.00 H ATOM 1187 N ILE A 106 -14.019 10.197 -14.405 1.00 37.69 N ATOM 1188 CA ILE A 106 -12.860 9.352 -14.223 1.00 39.00 C ATOM 1189 C ILE A 106 -12.551 8.716 -15.567 1.00 40.48 C ATOM 1190 O ILE A 106 -13.460 8.292 -16.274 1.00 41.34 O ATOM 1191 CB ILE A 106 -13.125 8.235 -13.217 1.00 37.89 C ATOM 1192 CG1 ILE A 106 -13.572 8.836 -11.887 1.00 40.19 C ATOM 1193 CG2 ILE A 106 -11.861 7.418 -13.013 1.00 37.08 C ATOM 1194 CD1 ILE A 106 -14.081 7.808 -10.898 1.00 41.03 C ATOM 1195 HA ILE A 106 -12.035 9.957 -13.847 1.00 0.00 H ATOM 1196 HB ILE A 106 -13.913 7.586 -13.600 1.00 0.00 H ATOM 1197 HG12 ILE A 106 -12.724 9.354 -11.440 1.00 0.00 H ATOM 1198 HG13 ILE A 106 -14.371 9.551 -12.083 1.00 0.00 H ATOM 1199 HD11 ILE A 106 -14.938 7.288 -11.325 1.00 0.00 H ATOM 1200 HD12 ILE A 106 -13.289 7.090 -10.682 1.00 0.00 H ATOM 1201 HD13 ILE A 106 -14.380 8.309 -9.977 1.00 0.00 H ATOM 1202 HG21 ILE A 106 -11.554 6.983 -13.964 1.00 0.00 H ATOM 1203 HG22 ILE A 106 -11.069 8.065 -12.635 1.00 0.00 H ATOM 1204 HG23 ILE A 106 -12.056 6.622 -12.294 1.00 0.00 H ATOM 1205 H ILE A 106 -14.970 9.776 -14.422 1.00 0.00 H ATOM 1206 N LEU A 107 -11.276 8.673 -15.935 1.00 43.26 N ATOM 1207 CA LEU A 107 -10.881 8.036 -17.195 1.00 46.38 C ATOM 1208 C LEU A 107 -10.584 6.571 -16.892 1.00 48.33 C ATOM 1209 O LEU A 107 -9.721 6.271 -16.065 1.00 46.51 O ATOM 1210 CB LEU A 107 -9.636 8.722 -17.773 1.00 45.71 C ATOM 1211 CG LEU A 107 -9.951 9.791 -18.825 1.00 47.74 C ATOM 1212 CD1 LEU A 107 -11.363 10.394 -18.611 1.00 46.07 C ATOM 1213 CD2 LEU A 107 -8.843 10.838 -18.778 1.00 48.35 C ATOM 1214 HA LEU A 107 -11.679 8.122 -17.933 1.00 0.00 H ATOM 1215 HB2 LEU A 107 -9.092 9.194 -16.955 1.00 0.00 H ATOM 1216 HB3 LEU A 107 -9.007 7.961 -18.234 1.00 0.00 H ATOM 1217 HG LEU A 107 -9.976 9.351 -19.822 1.00 0.00 H ATOM 1218 HD21 LEU A 107 -8.809 11.285 -17.784 1.00 0.00 H ATOM 1219 HD22 LEU A 107 -7.887 10.363 -18.997 1.00 0.00 H ATOM 1220 HD23 LEU A 107 -9.044 11.612 -19.519 1.00 0.00 H ATOM 1221 HD11 LEU A 107 -12.109 9.603 -18.685 1.00 0.00 H ATOM 1222 HD12 LEU A 107 -11.415 10.853 -17.624 1.00 0.00 H ATOM 1223 HD13 LEU A 107 -11.554 11.149 -19.374 1.00 0.00 H ATOM 1224 H LEU A 107 -10.549 9.096 -15.323 1.00 0.00 H ATOM 1225 N ASN A 108 -11.287 5.636 -17.515 1.00 51.88 N ATOM 1226 CA ASN A 108 -10.961 4.252 -17.182 1.00 56.09 C ATOM 1227 C ASN A 108 -9.731 3.721 -17.932 1.00 57.78 C ATOM 1228 O ASN A 108 -9.069 4.460 -18.670 1.00 57.70 O ATOM 1229 CB ASN A 108 -12.182 3.310 -17.377 1.00 57.69 C ATOM 1230 CG ASN A 108 -12.757 3.320 -18.804 1.00 59.65 C ATOM 1231 OD1 ASN A 108 -12.024 3.290 -19.789 1.00 61.36 O ATOM 1232 ND2 ASN A 108 -14.088 3.323 -18.904 1.00 60.99 N ATOM 1233 HA ASN A 108 -10.700 4.257 -16.124 1.00 0.00 H ATOM 1234 HB2 ASN A 108 -11.872 2.292 -17.139 1.00 0.00 H ATOM 1235 HB3 ASN A 108 -12.968 3.620 -16.688 1.00 0.00 H ATOM 1236 HD22 ASN A 108 -14.674 3.349 -18.045 1.00 0.00 H ATOM 1237 HD21 ASN A 108 -14.539 3.299 -19.841 1.00 0.00 H ATOM 1238 H ASN A 108 -12.030 5.875 -18.203 1.00 0.00 H ATOM 1239 N ALA A 109 -9.417 2.449 -17.687 1.00 61.42 N ATOM 1240 CA ALA A 109 -8.308 1.722 -18.328 1.00 64.90 C ATOM 1241 C ALA A 109 -8.205 1.900 -19.864 1.00 66.04 C ATOM 1242 O ALA A 109 -7.107 1.859 -20.418 1.00 67.52 O ATOM 1243 CB ALA A 109 -8.438 0.208 -18.002 1.00 65.04 C ATOM 1244 HA ALA A 109 -7.396 2.155 -17.918 1.00 0.00 H ATOM 1245 HB1 ALA A 109 -8.396 0.065 -16.922 1.00 0.00 H ATOM 1246 HB2 ALA A 109 -9.390 -0.164 -18.382 1.00 0.00 H ATOM 1247 HB3 ALA A 109 -7.620 -0.336 -18.474 1.00 0.00 H ATOM 1248 H ALA A 109 -9.996 1.933 -16.994 1.00 0.00 H ATOM 1249 N LYS A 110 -9.331 2.063 -20.555 1.00 66.28 N ATOM 1250 CA LYS A 110 -9.312 2.218 -22.015 1.00 65.89 C ATOM 1251 C LYS A 110 -9.539 3.665 -22.458 1.00 64.18 C ATOM 1252 O LYS A 110 -9.974 3.930 -23.584 1.00 65.16 O ATOM 1253 CB LYS A 110 -10.366 1.297 -22.624 1.00 68.14 C ATOM 1254 CG LYS A 110 -11.553 1.115 -21.695 1.00 71.17 C ATOM 1255 CD LYS A 110 -12.126 -0.290 -21.764 1.00 73.02 C ATOM 1256 CE LYS A 110 -13.239 -0.489 -20.740 1.00 74.86 C ATOM 1257 NZ LYS A 110 -13.724 -1.907 -20.719 1.00 75.20 N ATOM 1258 HA LYS A 110 -8.320 1.942 -22.371 1.00 0.00 H ATOM 1259 HB2 LYS A 110 -10.714 1.729 -23.562 1.00 0.00 H ATOM 1260 HB3 LYS A 110 -9.916 0.323 -22.818 1.00 0.00 H ATOM 1261 HG2 LYS A 110 -11.232 1.314 -20.672 1.00 0.00 H ATOM 1262 HG3 LYS A 110 -12.331 1.826 -21.975 1.00 0.00 H ATOM 1263 HD2 LYS A 110 -12.528 -0.461 -22.763 1.00 0.00 H ATOM 1264 HD3 LYS A 110 -11.330 -1.008 -21.567 1.00 0.00 H ATOM 1265 HE2 LYS A 110 -14.073 0.166 -20.992 1.00 0.00 H ATOM 1266 HE3 LYS A 110 -12.861 -0.230 -19.751 1.00 0.00 H ATOM 1267 HZ1 LYS A 110 -14.093 -2.160 -21.658 1.00 0.00 H ATOM 1268 HZ2 LYS A 110 -12.935 -2.538 -20.473 1.00 0.00 H ATOM 1269 HZ3 LYS A 110 -14.480 -2.003 -20.011 1.00 0.00 H ATOM 1270 H LYS A 110 -10.241 2.081 -20.052 1.00 0.00 H ATOM 1271 N GLY A 111 -9.248 4.593 -21.550 1.00 61.77 N ATOM 1272 CA GLY A 111 -9.392 6.014 -21.830 1.00 56.93 C ATOM 1273 C GLY A 111 -10.776 6.652 -21.949 1.00 55.59 C ATOM 1274 O GLY A 111 -10.862 7.822 -22.333 1.00 53.20 O ATOM 1275 HA3 GLY A 111 -8.882 6.198 -22.776 1.00 0.00 H ATOM 1276 HA2 GLY A 111 -8.873 6.543 -21.030 1.00 0.00 H ATOM 1277 H GLY A 111 -8.908 4.295 -20.614 1.00 0.00 H ATOM 1278 N GLU A 112 -11.853 5.926 -21.635 1.00 51.28 N ATOM 1279 CA GLU A 112 -13.218 6.488 -21.721 1.00 49.38 C ATOM 1280 C GLU A 112 -13.628 7.236 -20.454 1.00 48.15 C ATOM 1281 O GLU A 112 -13.078 6.982 -19.385 1.00 45.56 O ATOM 1282 CB GLU A 112 -14.247 5.378 -21.927 1.00 52.26 C ATOM 1283 CG GLU A 112 -13.985 4.517 -23.137 1.00 49.25 C ATOM 1284 CD GLU A 112 -14.998 3.383 -23.243 1.00 51.88 C ATOM 1285 OE1 GLU A 112 -16.227 3.673 -23.296 1.00 49.25 O ATOM 1286 OE2 GLU A 112 -14.560 2.205 -23.256 1.00 51.50 O ATOM 1287 HA GLU A 112 -13.197 7.179 -22.564 1.00 0.00 H ATOM 1288 HB2 GLU A 112 -14.244 4.739 -21.044 1.00 0.00 H ATOM 1289 HB3 GLU A 112 -15.229 5.837 -22.039 1.00 0.00 H ATOM 1290 HG2 GLU A 112 -14.049 5.135 -24.033 1.00 0.00 H ATOM 1291 HG3 GLU A 112 -12.984 4.093 -23.061 1.00 0.00 H ATOM 1292 H GLU A 112 -11.728 4.942 -21.323 1.00 0.00 H ATOM 1293 N GLU A 113 -14.619 8.121 -20.578 1.00 47.88 N ATOM 1294 CA GLU A 113 -15.153 8.879 -19.442 1.00 49.74 C ATOM 1295 C GLU A 113 -16.279 8.146 -18.712 1.00 50.75 C ATOM 1296 O GLU A 113 -17.247 7.687 -19.324 1.00 51.39 O ATOM 1297 CB GLU A 113 -15.692 10.237 -19.890 1.00 49.15 C ATOM 1298 CG GLU A 113 -14.621 11.241 -20.218 1.00 53.22 C ATOM 1299 CD GLU A 113 -15.185 12.611 -20.519 1.00 54.57 C ATOM 1300 OE1 GLU A 113 -14.390 13.510 -20.856 1.00 55.43 O ATOM 1301 OE2 GLU A 113 -16.418 12.790 -20.420 1.00 54.98 O ATOM 1302 HA GLU A 113 -14.313 9.004 -18.758 1.00 0.00 H ATOM 1303 HB2 GLU A 113 -16.305 10.087 -20.778 1.00 0.00 H ATOM 1304 HB3 GLU A 113 -16.309 10.643 -19.088 1.00 0.00 H ATOM 1305 HG2 GLU A 113 -13.944 11.320 -19.368 1.00 0.00 H ATOM 1306 HG3 GLU A 113 -14.068 10.891 -21.090 1.00 0.00 H ATOM 1307 H GLU A 113 -15.030 8.280 -21.520 1.00 0.00 H ATOM 1308 N THR A 114 -16.154 8.046 -17.396 1.00 49.30 N ATOM 1309 CA THR A 114 -17.173 7.387 -16.604 1.00 50.23 C ATOM 1310 C THR A 114 -17.396 8.129 -15.293 1.00 50.31 C ATOM 1311 O THR A 114 -16.587 8.973 -14.897 1.00 49.55 O ATOM 1312 CB THR A 114 -16.800 5.904 -16.316 1.00 52.34 C ATOM 1313 OG1 THR A 114 -15.449 5.822 -15.837 1.00 52.15 O ATOM 1314 CG2 THR A 114 -16.947 5.067 -17.582 1.00 53.21 C ATOM 1315 HA THR A 114 -18.096 7.400 -17.183 1.00 0.00 H ATOM 1316 HB THR A 114 -17.476 5.516 -15.554 1.00 0.00 H ATOM 1317 HG1 THR A 114 -14.834 6.186 -16.522 1.00 0.00 H ATOM 1318 HG23 THR A 114 -17.974 5.132 -17.942 1.00 0.00 H ATOM 1319 HG21 THR A 114 -16.268 5.445 -18.347 1.00 0.00 H ATOM 1320 HG22 THR A 114 -16.704 4.028 -17.359 1.00 0.00 H ATOM 1321 H THR A 114 -15.316 8.445 -16.927 1.00 0.00 H ATOM 1322 N LYS A 115 -18.514 7.817 -14.646 1.00 49.23 N ATOM 1323 CA LYS A 115 -18.883 8.417 -13.376 1.00 49.23 C ATOM 1324 C LYS A 115 -18.756 9.944 -13.424 1.00 47.41 C ATOM 1325 O LYS A 115 -18.271 10.574 -12.489 1.00 47.21 O ATOM 1326 CB LYS A 115 -18.003 7.832 -12.260 1.00 52.17 C ATOM 1327 CG LYS A 115 -17.752 6.314 -12.380 1.00 54.69 C ATOM 1328 CD LYS A 115 -19.047 5.487 -12.390 1.00 57.30 C ATOM 1329 CE LYS A 115 -19.824 5.631 -11.088 1.00 58.83 C ATOM 1330 NZ LYS A 115 -20.958 4.659 -11.002 1.00 60.37 N ATOM 1331 HA LYS A 115 -19.928 8.185 -13.170 1.00 0.00 H ATOM 1332 HB2 LYS A 115 -17.039 8.341 -12.283 1.00 0.00 H ATOM 1333 HB3 LYS A 115 -18.491 8.023 -11.304 1.00 0.00 H ATOM 1334 HG2 LYS A 115 -17.212 6.124 -13.307 1.00 0.00 H ATOM 1335 HG3 LYS A 115 -17.143 5.995 -11.534 1.00 0.00 H ATOM 1336 HD2 LYS A 115 -19.675 5.825 -13.214 1.00 0.00 H ATOM 1337 HD3 LYS A 115 -18.794 4.437 -12.535 1.00 0.00 H ATOM 1338 HE2 LYS A 115 -20.223 6.644 -11.026 1.00 0.00 H ATOM 1339 HE3 LYS A 115 -19.146 5.457 -10.252 1.00 0.00 H ATOM 1340 HZ1 LYS A 115 -21.614 4.823 -11.792 1.00 0.00 H ATOM 1341 HZ2 LYS A 115 -20.586 3.689 -11.054 1.00 0.00 H ATOM 1342 HZ3 LYS A 115 -21.459 4.792 -10.101 1.00 0.00 H ATOM 1343 H LYS A 115 -19.152 7.113 -15.067 1.00 0.00 H ATOM 1344 N ALA A 116 -19.209 10.527 -14.526 1.00 46.21 N ATOM 1345 CA ALA A 116 -19.156 11.971 -14.715 1.00 44.54 C ATOM 1346 C ALA A 116 -20.165 12.677 -13.816 1.00 44.01 C ATOM 1347 O ALA A 116 -21.291 12.208 -13.629 1.00 40.95 O ATOM 1348 CB ALA A 116 -19.427 12.318 -16.169 1.00 42.35 C ATOM 1349 HA ALA A 116 -18.157 12.312 -14.444 1.00 0.00 H ATOM 1350 HB1 ALA A 116 -18.674 11.846 -16.800 1.00 0.00 H ATOM 1351 HB2 ALA A 116 -20.416 11.956 -16.449 1.00 0.00 H ATOM 1352 HB3 ALA A 116 -19.385 13.400 -16.297 1.00 0.00 H ATOM 1353 H ALA A 116 -19.615 9.935 -15.279 1.00 0.00 H ATOM 1354 N MET A 117 -19.736 13.804 -13.258 1.00 43.66 N ATOM 1355 CA MET A 117 -20.564 14.608 -12.375 1.00 44.81 C ATOM 1356 C MET A 117 -20.288 16.061 -12.764 1.00 46.18 C ATOM 1357 O MET A 117 -19.141 16.524 -12.724 1.00 44.34 O ATOM 1358 CB MET A 117 -20.181 14.339 -10.914 1.00 43.83 C ATOM 1359 CG MET A 117 -21.250 14.716 -9.887 1.00 47.63 C ATOM 1360 SD MET A 117 -20.957 14.062 -8.198 1.00 48.33 S ATOM 1361 CE MET A 117 -21.503 12.340 -8.406 1.00 49.49 C ATOM 1362 HA MET A 117 -21.624 14.373 -12.471 1.00 0.00 H ATOM 1363 HB2 MET A 117 -19.971 13.275 -10.809 1.00 0.00 H ATOM 1364 HB3 MET A 117 -19.280 14.909 -10.690 1.00 0.00 H ATOM 1365 HG2 MET A 117 -22.208 14.333 -10.238 1.00 0.00 H ATOM 1366 HG3 MET A 117 -21.295 15.803 -9.827 1.00 0.00 H ATOM 1367 HE1 MET A 117 -22.551 12.326 -8.706 1.00 0.00 H ATOM 1368 HE2 MET A 117 -20.898 11.858 -9.174 1.00 0.00 H ATOM 1369 HE3 MET A 117 -21.387 11.807 -7.462 1.00 0.00 H ATOM 1370 H MET A 117 -18.768 14.124 -13.462 1.00 0.00 H ATOM 1371 N GLU A 118 -21.342 16.765 -13.160 1.00 46.55 N ATOM 1372 CA GLU A 118 -21.231 18.152 -13.588 1.00 49.28 C ATOM 1373 C GLU A 118 -22.138 19.100 -12.804 1.00 48.62 C ATOM 1374 O GLU A 118 -23.248 18.736 -12.414 1.00 46.13 O ATOM 1375 CB GLU A 118 -21.550 18.240 -15.091 1.00 52.34 C ATOM 1376 CG GLU A 118 -22.625 19.249 -15.470 1.00 59.58 C ATOM 1377 CD GLU A 118 -23.047 19.154 -16.931 1.00 64.37 C ATOM 1378 OE1 GLU A 118 -24.026 19.840 -17.312 1.00 65.64 O ATOM 1379 OE2 GLU A 118 -22.402 18.396 -17.696 1.00 66.11 O ATOM 1380 HA GLU A 118 -20.208 18.473 -13.390 1.00 0.00 H ATOM 1381 HB2 GLU A 118 -20.633 18.511 -15.615 1.00 0.00 H ATOM 1382 HB3 GLU A 118 -21.879 17.256 -15.424 1.00 0.00 H ATOM 1383 HG2 GLU A 118 -23.500 19.075 -14.844 1.00 0.00 H ATOM 1384 HG3 GLU A 118 -22.240 20.252 -15.284 1.00 0.00 H ATOM 1385 H GLU A 118 -22.277 16.311 -13.165 1.00 0.00 H ATOM 1386 N SER A 119 -21.661 20.319 -12.579 1.00 48.45 N ATOM 1387 CA SER A 119 -22.460 21.309 -11.869 1.00 50.74 C ATOM 1388 C SER A 119 -23.560 21.779 -12.810 1.00 52.42 C ATOM 1389 O SER A 119 -23.317 22.022 -13.994 1.00 51.96 O ATOM 1390 CB SER A 119 -21.610 22.516 -11.461 1.00 51.93 C ATOM 1391 OG SER A 119 -21.252 23.285 -12.596 1.00 50.79 O ATOM 1392 HA SER A 119 -22.870 20.859 -10.965 1.00 0.00 H ATOM 1393 HB2 SER A 119 -20.704 22.165 -10.966 1.00 0.00 H ATOM 1394 HB3 SER A 119 -22.181 23.139 -10.772 1.00 0.00 H ATOM 1395 HG SER A 119 -22.072 23.609 -13.046 1.00 0.00 H ATOM 1396 H SER A 119 -20.708 20.569 -12.913 1.00 0.00 H ATOM 1397 N GLN A 120 -24.773 21.895 -12.289 1.00 54.70 N ATOM 1398 CA GLN A 120 -25.893 22.355 -13.110 1.00 56.46 C ATOM 1399 C GLN A 120 -25.613 23.776 -13.593 1.00 56.28 C ATOM 1400 O GLN A 120 -25.655 24.058 -14.794 1.00 56.36 O ATOM 1401 CB GLN A 120 -27.197 22.325 -12.301 1.00 57.70 C ATOM 1402 CG GLN A 120 -26.997 22.047 -10.803 1.00 58.40 C ATOM 1403 CD GLN A 120 -28.295 22.036 -9.986 1.00 59.15 C ATOM 1404 OE1 GLN A 120 -29.380 22.352 -10.491 1.00 59.03 O ATOM 1405 NE2 GLN A 120 -28.179 21.674 -8.707 1.00 58.32 N ATOM 1406 HA GLN A 120 -26.003 21.692 -13.968 1.00 0.00 H ATOM 1407 HB2 GLN A 120 -27.689 23.292 -12.408 1.00 0.00 H ATOM 1408 HB3 GLN A 120 -27.838 21.545 -12.712 1.00 0.00 H ATOM 1409 HG2 GLN A 120 -26.518 21.074 -10.697 1.00 0.00 H ATOM 1410 HG3 GLN A 120 -26.343 22.819 -10.396 1.00 0.00 H ATOM 1411 HE22 GLN A 120 -27.248 21.416 -8.322 1.00 0.00 H ATOM 1412 HE21 GLN A 120 -29.020 21.650 -8.095 1.00 0.00 H ATOM 1413 H GLN A 120 -24.930 21.657 -11.289 1.00 0.00 H ATOM 1414 N ARG A 121 -25.303 24.658 -12.645 1.00 54.97 N ATOM 1415 CA ARG A 121 -24.993 26.044 -12.972 1.00 53.28 C ATOM 1416 C ARG A 121 -23.546 26.427 -12.668 1.00 50.17 C ATOM 1417 O ARG A 121 -22.709 25.600 -12.287 1.00 48.82 O ATOM 1418 CB ARG A 121 -25.918 27.011 -12.216 1.00 57.54 C ATOM 1419 CG ARG A 121 -27.413 26.725 -12.330 1.00 62.70 C ATOM 1420 CD ARG A 121 -27.926 25.866 -11.169 1.00 66.85 C ATOM 1421 NE ARG A 121 -29.344 25.566 -11.365 1.00 70.83 N ATOM 1422 CZ ARG A 121 -30.298 26.491 -11.464 1.00 73.04 C ATOM 1423 NH1 ARG A 121 -29.993 27.784 -11.369 1.00 73.59 N ATOM 1424 NH2 ARG A 121 -31.553 26.131 -11.710 1.00 73.03 N ATOM 1425 HA ARG A 121 -25.149 26.128 -14.048 1.00 0.00 H ATOM 1426 HB2 ARG A 121 -25.650 26.974 -11.160 1.00 0.00 H ATOM 1427 HB3 ARG A 121 -25.739 28.015 -12.601 1.00 0.00 H ATOM 1428 HG2 ARG A 121 -27.953 27.672 -12.332 1.00 0.00 H ATOM 1429 HG3 ARG A 121 -27.600 26.199 -13.266 1.00 0.00 H ATOM 1430 HD2 ARG A 121 -27.796 26.408 -10.232 1.00 0.00 H ATOM 1431 HD3 ARG A 121 -27.361 24.935 -11.130 1.00 0.00 H ATOM 1432 HE ARG A 121 -29.626 24.567 -11.431 1.00 0.00 H ATOM 1433 HH12 ARG A 121 -30.741 28.502 -11.447 1.00 0.00 H ATOM 1434 HH11 ARG A 121 -29.006 28.076 -11.217 1.00 0.00 H ATOM 1435 HH22 ARG A 121 -32.296 26.855 -11.787 1.00 0.00 H ATOM 1436 HH21 ARG A 121 -31.792 25.126 -11.826 1.00 0.00 H ATOM 1437 H ARG A 121 -25.282 24.352 -11.651 1.00 0.00 H ATOM 1438 N ALA A 122 -23.269 27.710 -12.856 1.00 47.36 N ATOM 1439 CA ALA A 122 -21.953 28.257 -12.592 1.00 44.18 C ATOM 1440 C ALA A 122 -21.939 28.737 -11.142 1.00 42.75 C ATOM 1441 O ALA A 122 -22.969 29.143 -10.597 1.00 41.27 O ATOM 1442 CB ALA A 122 -21.660 29.425 -13.553 1.00 42.48 C ATOM 1443 HA ALA A 122 -21.183 27.502 -12.748 1.00 0.00 H ATOM 1444 HB1 ALA A 122 -21.698 29.066 -14.581 1.00 0.00 H ATOM 1445 HB2 ALA A 122 -22.407 30.206 -13.412 1.00 0.00 H ATOM 1446 HB3 ALA A 122 -20.668 29.826 -13.343 1.00 0.00 H ATOM 1447 H ALA A 122 -24.018 28.342 -13.203 1.00 0.00 H ATOM 1448 N TYR A 123 -20.768 28.659 -10.519 1.00 41.86 N ATOM 1449 CA TYR A 123 -20.590 29.088 -9.141 1.00 39.62 C ATOM 1450 C TYR A 123 -19.546 30.195 -9.075 1.00 39.08 C ATOM 1451 O TYR A 123 -18.678 30.305 -9.942 1.00 38.55 O ATOM 1452 CB TYR A 123 -20.172 27.902 -8.264 1.00 39.79 C ATOM 1453 CG TYR A 123 -21.303 26.926 -8.048 1.00 40.34 C ATOM 1454 CD1 TYR A 123 -22.229 27.118 -7.021 1.00 39.00 C ATOM 1455 CD2 TYR A 123 -21.522 25.880 -8.943 1.00 39.35 C ATOM 1456 CE1 TYR A 123 -23.363 26.298 -6.906 1.00 41.02 C ATOM 1457 CE2 TYR A 123 -22.651 25.055 -8.837 1.00 40.58 C ATOM 1458 CZ TYR A 123 -23.563 25.268 -7.820 1.00 41.45 C ATOM 1459 OH TYR A 123 -24.686 24.467 -7.734 1.00 43.98 O ATOM 1460 HA TYR A 123 -21.537 29.475 -8.765 1.00 0.00 H ATOM 1461 HB3 TYR A 123 -19.844 28.280 -7.296 1.00 0.00 H ATOM 1462 HB2 TYR A 123 -19.346 27.381 -8.748 1.00 0.00 H ATOM 1463 HD2 TYR A 123 -20.802 25.700 -9.741 1.00 0.00 H ATOM 1464 HE2 TYR A 123 -22.809 24.249 -9.554 1.00 0.00 H ATOM 1465 HE1 TYR A 123 -24.083 26.467 -6.105 1.00 0.00 H ATOM 1466 HD1 TYR A 123 -22.069 27.917 -6.297 1.00 0.00 H ATOM 1467 HH TYR A 123 -24.409 23.523 -7.620 1.00 0.00 H ATOM 1468 H TYR A 123 -19.950 28.278 -11.035 1.00 0.00 H ATOM 1469 N ARG A 124 -19.646 31.024 -8.048 1.00 38.38 N ATOM 1470 CA ARG A 124 -18.720 32.129 -7.877 1.00 40.36 C ATOM 1471 C ARG A 124 -17.452 31.687 -7.152 1.00 39.16 C ATOM 1472 O ARG A 124 -17.503 31.120 -6.064 1.00 38.07 O ATOM 1473 CB ARG A 124 -19.410 33.268 -7.115 1.00 41.98 C ATOM 1474 CG ARG A 124 -18.587 34.536 -7.005 1.00 47.43 C ATOM 1475 CD ARG A 124 -19.466 35.742 -6.725 1.00 51.91 C ATOM 1476 NE ARG A 124 -18.665 36.922 -6.425 1.00 57.18 N ATOM 1477 CZ ARG A 124 -17.938 37.062 -5.319 1.00 60.18 C ATOM 1478 NH1 ARG A 124 -17.916 36.095 -4.410 1.00 61.01 N ATOM 1479 NH2 ARG A 124 -17.235 38.168 -5.116 1.00 61.69 N ATOM 1480 HA ARG A 124 -18.424 32.485 -8.864 1.00 0.00 H ATOM 1481 HB2 ARG A 124 -20.340 33.509 -7.630 1.00 0.00 H ATOM 1482 HB3 ARG A 124 -19.634 32.918 -6.107 1.00 0.00 H ATOM 1483 HG2 ARG A 124 -17.868 34.424 -6.193 1.00 0.00 H ATOM 1484 HG3 ARG A 124 -18.053 34.695 -7.942 1.00 0.00 H ATOM 1485 HD2 ARG A 124 -20.109 35.523 -5.873 1.00 0.00 H ATOM 1486 HD3 ARG A 124 -20.082 35.944 -7.601 1.00 0.00 H ATOM 1487 HE ARG A 124 -18.661 37.700 -7.115 1.00 0.00 H ATOM 1488 HH12 ARG A 124 -17.347 36.206 -3.546 1.00 0.00 H ATOM 1489 HH11 ARG A 124 -18.467 35.226 -4.561 1.00 0.00 H ATOM 1490 HH22 ARG A 124 -16.669 38.273 -4.250 1.00 0.00 H ATOM 1491 HH21 ARG A 124 -17.250 38.931 -5.823 1.00 0.00 H ATOM 1492 H ARG A 124 -20.403 30.881 -7.350 1.00 0.00 H ATOM 1493 N PHE A 125 -16.315 31.939 -7.782 1.00 39.88 N ATOM 1494 CA PHE A 125 -15.023 31.587 -7.222 1.00 41.19 C ATOM 1495 C PHE A 125 -14.247 32.851 -6.904 1.00 41.78 C ATOM 1496 O PHE A 125 -14.385 33.853 -7.595 1.00 41.37 O ATOM 1497 CB PHE A 125 -14.198 30.791 -8.239 1.00 40.58 C ATOM 1498 CG PHE A 125 -14.660 29.373 -8.444 1.00 40.80 C ATOM 1499 CD1 PHE A 125 -14.106 28.339 -7.697 1.00 39.16 C ATOM 1500 CD2 PHE A 125 -15.634 29.068 -9.388 1.00 39.24 C ATOM 1501 CE1 PHE A 125 -14.511 27.022 -7.891 1.00 40.02 C ATOM 1502 CE2 PHE A 125 -16.047 27.747 -9.588 1.00 39.58 C ATOM 1503 CZ PHE A 125 -15.484 26.724 -8.837 1.00 37.55 C ATOM 1504 HA PHE A 125 -15.194 30.992 -6.325 1.00 0.00 H ATOM 1505 HB2 PHE A 125 -14.248 31.308 -9.197 1.00 0.00 H ATOM 1506 HB3 PHE A 125 -13.164 30.766 -7.895 1.00 0.00 H ATOM 1507 HD2 PHE A 125 -16.081 29.868 -9.979 1.00 0.00 H ATOM 1508 HE2 PHE A 125 -16.810 27.521 -10.333 1.00 0.00 H ATOM 1509 HZ PHE A 125 -15.803 25.693 -8.989 1.00 0.00 H ATOM 1510 HE1 PHE A 125 -14.064 26.223 -7.300 1.00 0.00 H ATOM 1511 HD1 PHE A 125 -13.345 28.563 -6.950 1.00 0.00 H ATOM 1512 H PHE A 125 -16.349 32.406 -8.711 1.00 0.00 H ATOM 1513 N VAL A 126 -13.449 32.788 -5.843 1.00 42.61 N ATOM 1514 CA VAL A 126 -12.548 33.870 -5.448 1.00 43.38 C ATOM 1515 C VAL A 126 -11.318 33.073 -5.046 1.00 43.26 C ATOM 1516 O VAL A 126 -11.419 31.858 -4.864 1.00 42.86 O ATOM 1517 CB VAL A 126 -13.063 34.699 -4.235 1.00 44.09 C ATOM 1518 CG1 VAL A 126 -14.360 35.417 -4.612 1.00 43.23 C ATOM 1519 CG2 VAL A 126 -13.241 33.800 -3.008 1.00 42.98 C ATOM 1520 HA VAL A 126 -12.408 34.613 -6.233 1.00 0.00 H ATOM 1521 HB VAL A 126 -12.325 35.457 -3.973 1.00 0.00 H ATOM 1522 HG11 VAL A 126 -14.173 36.085 -5.453 1.00 0.00 H ATOM 1523 HG12 VAL A 126 -15.113 34.681 -4.892 1.00 0.00 H ATOM 1524 HG13 VAL A 126 -14.715 35.995 -3.759 1.00 0.00 H ATOM 1525 HG21 VAL A 126 -13.964 33.017 -3.235 1.00 0.00 H ATOM 1526 HG22 VAL A 126 -12.284 33.348 -2.748 1.00 0.00 H ATOM 1527 HG23 VAL A 126 -13.601 34.397 -2.171 1.00 0.00 H ATOM 1528 H VAL A 126 -13.466 31.924 -5.264 1.00 0.00 H ATOM 1529 N GLN A 127 -10.165 33.724 -4.929 1.00 43.11 N ATOM 1530 CA GLN A 127 -8.942 33.022 -4.558 1.00 43.41 C ATOM 1531 C GLN A 127 -9.106 32.204 -3.278 1.00 41.63 C ATOM 1532 O GLN A 127 -9.607 32.703 -2.263 1.00 41.10 O ATOM 1533 CB GLN A 127 -7.786 34.021 -4.400 1.00 46.15 C ATOM 1534 CG GLN A 127 -6.455 33.375 -4.015 1.00 51.72 C ATOM 1535 CD GLN A 127 -5.269 34.319 -4.167 1.00 53.97 C ATOM 1536 OE1 GLN A 127 -5.207 35.374 -3.529 1.00 56.82 O ATOM 1537 NE2 GLN A 127 -4.320 33.940 -5.015 1.00 55.12 N ATOM 1538 HA GLN A 127 -8.715 32.323 -5.363 1.00 0.00 H ATOM 1539 HB2 GLN A 127 -7.652 34.544 -5.347 1.00 0.00 H ATOM 1540 HB3 GLN A 127 -8.056 34.739 -3.625 1.00 0.00 H ATOM 1541 HG2 GLN A 127 -6.512 33.054 -2.975 1.00 0.00 H ATOM 1542 HG3 GLN A 127 -6.292 32.507 -4.654 1.00 0.00 H ATOM 1543 HE22 GLN A 127 -4.413 33.042 -5.532 1.00 0.00 H ATOM 1544 HE21 GLN A 127 -3.484 34.541 -5.162 1.00 0.00 H ATOM 1545 H GLN A 127 -10.135 34.749 -5.105 1.00 0.00 H ATOM 1546 N GLY A 128 -8.690 30.939 -3.341 1.00 40.54 N ATOM 1547 CA GLY A 128 -8.776 30.057 -2.182 1.00 39.86 C ATOM 1548 C GLY A 128 -10.125 29.375 -1.997 1.00 38.91 C ATOM 1549 O GLY A 128 -10.328 28.598 -1.058 1.00 39.03 O ATOM 1550 HA3 GLY A 128 -8.569 30.648 -1.290 1.00 0.00 H ATOM 1551 HA2 GLY A 128 -8.016 29.283 -2.288 1.00 0.00 H ATOM 1552 H GLY A 128 -8.297 30.574 -4.232 1.00 0.00 H ATOM 1553 N LYS A 129 -11.053 29.660 -2.902 1.00 37.25 N ATOM 1554 CA LYS A 129 -12.390 29.085 -2.838 1.00 35.49 C ATOM 1555 C LYS A 129 -12.515 27.865 -3.738 1.00 37.02 C ATOM 1556 O LYS A 129 -11.979 27.862 -4.851 1.00 36.24 O ATOM 1557 CB LYS A 129 -13.405 30.125 -3.289 1.00 34.58 C ATOM 1558 CG LYS A 129 -14.839 29.604 -3.360 1.00 33.69 C ATOM 1559 CD LYS A 129 -15.357 29.277 -1.955 1.00 30.81 C ATOM 1560 CE LYS A 129 -16.871 29.028 -1.975 1.00 31.31 C ATOM 1561 NZ LYS A 129 -17.438 28.677 -0.626 1.00 31.34 N ATOM 1562 HA LYS A 129 -12.576 28.780 -1.808 1.00 0.00 H ATOM 1563 HB2 LYS A 129 -13.377 30.958 -2.587 1.00 0.00 H ATOM 1564 HB3 LYS A 129 -13.118 30.477 -4.280 1.00 0.00 H ATOM 1565 HG2 LYS A 129 -15.476 30.365 -3.810 1.00 0.00 H ATOM 1566 HG3 LYS A 129 -14.864 28.702 -3.972 1.00 0.00 H ATOM 1567 HD2 LYS A 129 -14.853 28.383 -1.587 1.00 0.00 H ATOM 1568 HD3 LYS A 129 -15.141 30.114 -1.291 1.00 0.00 H ATOM 1569 HE2 LYS A 129 -17.077 28.206 -2.661 1.00 0.00 H ATOM 1570 HE3 LYS A 129 -17.365 29.931 -2.333 1.00 0.00 H ATOM 1571 HZ1 LYS A 129 -16.983 27.810 -0.275 1.00 0.00 H ATOM 1572 HZ2 LYS A 129 -17.258 29.457 0.038 1.00 0.00 H ATOM 1573 HZ3 LYS A 129 -18.463 28.522 -0.712 1.00 0.00 H ATOM 1574 H LYS A 129 -10.819 30.312 -3.678 1.00 0.00 H ATOM 1575 N ASP A 130 -13.206 26.830 -3.259 1.00 35.62 N ATOM 1576 CA ASP A 130 -13.420 25.650 -4.087 1.00 34.71 C ATOM 1577 C ASP A 130 -14.892 25.273 -4.187 1.00 34.90 C ATOM 1578 O ASP A 130 -15.726 25.692 -3.373 1.00 32.12 O ATOM 1579 CB ASP A 130 -12.611 24.430 -3.584 1.00 36.14 C ATOM 1580 CG ASP A 130 -13.081 23.906 -2.239 1.00 39.11 C ATOM 1581 OD1 ASP A 130 -14.305 23.732 -2.045 1.00 41.60 O ATOM 1582 OD2 ASP A 130 -12.212 23.645 -1.379 1.00 41.68 O ATOM 1583 HA ASP A 130 -13.063 25.921 -5.081 1.00 0.00 H ATOM 1584 HB2 ASP A 130 -12.702 23.629 -4.318 1.00 0.00 H ATOM 1585 HB3 ASP A 130 -11.565 24.722 -3.494 1.00 0.00 H ATOM 1586 H ASP A 130 -13.592 26.865 -2.294 1.00 0.00 H ATOM 1587 N TRP A 131 -15.202 24.503 -5.221 1.00 32.08 N ATOM 1588 CA TRP A 131 -16.544 23.992 -5.448 1.00 32.79 C ATOM 1589 C TRP A 131 -16.343 22.591 -6.008 1.00 31.64 C ATOM 1590 O TRP A 131 -15.362 22.345 -6.712 1.00 29.51 O ATOM 1591 CB TRP A 131 -17.312 24.871 -6.441 1.00 33.27 C ATOM 1592 CG TRP A 131 -17.929 26.087 -5.820 1.00 32.40 C ATOM 1593 CD1 TRP A 131 -17.539 27.383 -5.991 1.00 32.05 C ATOM 1594 CD2 TRP A 131 -19.068 26.128 -4.932 1.00 32.79 C ATOM 1595 NE1 TRP A 131 -18.357 28.226 -5.265 1.00 32.56 N ATOM 1596 CE2 TRP A 131 -19.291 27.478 -4.598 1.00 30.39 C ATOM 1597 CE3 TRP A 131 -19.893 25.141 -4.370 1.00 34.14 C ATOM 1598 CZ2 TRP A 131 -20.334 27.883 -3.751 1.00 30.97 C ATOM 1599 CZ3 TRP A 131 -20.936 25.543 -3.519 1.00 35.00 C ATOM 1600 CH2 TRP A 131 -21.135 26.903 -3.209 1.00 33.50 C ATOM 1601 HA TRP A 131 -17.134 23.987 -4.532 1.00 0.00 H ATOM 1602 HB2 TRP A 131 -16.621 25.195 -7.219 1.00 0.00 H ATOM 1603 HB3 TRP A 131 -18.106 24.272 -6.888 1.00 0.00 H ATOM 1604 HE1 TRP A 131 -18.277 29.262 -5.230 1.00 0.00 H ATOM 1605 HD1 TRP A 131 -16.703 27.706 -6.611 1.00 0.00 H ATOM 1606 HZ2 TRP A 131 -20.504 28.937 -3.530 1.00 0.00 H ATOM 1607 HH2 TRP A 131 -21.938 27.184 -2.528 1.00 0.00 H ATOM 1608 HZ3 TRP A 131 -21.601 24.792 -3.092 1.00 0.00 H ATOM 1609 HE3 TRP A 131 -19.728 24.086 -4.589 1.00 0.00 H ATOM 1610 H TRP A 131 -14.453 24.254 -5.898 1.00 0.00 H ATOM 1611 N GLY A 132 -17.252 21.673 -5.681 1.00 30.76 N ATOM 1612 CA GLY A 132 -17.124 20.309 -6.169 1.00 31.09 C ATOM 1613 C GLY A 132 -18.194 19.394 -5.604 1.00 33.13 C ATOM 1614 O GLY A 132 -19.310 19.841 -5.345 1.00 32.29 O ATOM 1615 HA3 GLY A 132 -16.145 19.924 -5.882 1.00 0.00 H ATOM 1616 HA2 GLY A 132 -17.206 20.316 -7.256 1.00 0.00 H ATOM 1617 H GLY A 132 -18.056 21.933 -5.075 1.00 0.00 H ATOM 1618 N PHE A 133 -17.852 18.119 -5.418 1.00 33.35 N ATOM 1619 CA PHE A 133 -18.777 17.114 -4.887 1.00 36.23 C ATOM 1620 C PHE A 133 -18.084 16.254 -3.816 1.00 36.54 C ATOM 1621 O PHE A 133 -17.143 15.502 -4.110 1.00 33.51 O ATOM 1622 CB PHE A 133 -19.277 16.224 -6.030 1.00 36.55 C ATOM 1623 CG PHE A 133 -19.845 16.992 -7.190 1.00 40.10 C ATOM 1624 CD1 PHE A 133 -21.114 17.566 -7.117 1.00 39.21 C ATOM 1625 CD2 PHE A 133 -19.085 17.195 -8.336 1.00 39.03 C ATOM 1626 CE1 PHE A 133 -21.618 18.317 -8.182 1.00 40.73 C ATOM 1627 CE2 PHE A 133 -19.581 17.943 -9.403 1.00 39.42 C ATOM 1628 CZ PHE A 133 -20.844 18.512 -9.322 1.00 38.67 C ATOM 1629 HA PHE A 133 -19.623 17.623 -4.425 1.00 0.00 H ATOM 1630 HB2 PHE A 133 -18.441 15.624 -6.390 1.00 0.00 H ATOM 1631 HB3 PHE A 133 -20.053 15.566 -5.640 1.00 0.00 H ATOM 1632 HD2 PHE A 133 -18.086 16.763 -8.401 1.00 0.00 H ATOM 1633 HE2 PHE A 133 -18.977 18.081 -10.300 1.00 0.00 H ATOM 1634 HZ PHE A 133 -21.229 19.110 -10.148 1.00 0.00 H ATOM 1635 HE1 PHE A 133 -22.616 18.750 -8.120 1.00 0.00 H ATOM 1636 HD1 PHE A 133 -21.718 17.427 -6.221 1.00 0.00 H ATOM 1637 H PHE A 133 -16.885 17.824 -5.661 1.00 0.00 H ATOM 1638 N LYS A 134 -18.548 16.357 -2.577 1.00 37.98 N ATOM 1639 CA LYS A 134 -17.936 15.592 -1.499 1.00 42.42 C ATOM 1640 C LYS A 134 -18.176 14.107 -1.710 1.00 42.04 C ATOM 1641 O LYS A 134 -17.403 13.277 -1.246 1.00 41.83 O ATOM 1642 CB LYS A 134 -18.480 16.035 -0.138 1.00 43.60 C ATOM 1643 CG LYS A 134 -19.962 15.811 0.056 1.00 47.50 C ATOM 1644 CD LYS A 134 -20.370 16.282 1.451 1.00 52.24 C ATOM 1645 CE LYS A 134 -21.790 15.872 1.799 1.00 51.39 C ATOM 1646 NZ LYS A 134 -22.131 16.356 3.173 1.00 53.68 N ATOM 1647 HA LYS A 134 -16.862 15.780 -1.510 1.00 0.00 H ATOM 1648 HB2 LYS A 134 -17.949 15.481 0.636 1.00 0.00 H ATOM 1649 HB3 LYS A 134 -18.280 17.100 -0.023 1.00 0.00 H ATOM 1650 HG2 LYS A 134 -20.516 16.374 -0.695 1.00 0.00 H ATOM 1651 HG3 LYS A 134 -20.186 14.750 -0.049 1.00 0.00 H ATOM 1652 HD2 LYS A 134 -19.689 15.847 2.182 1.00 0.00 H ATOM 1653 HD3 LYS A 134 -20.298 17.369 1.491 1.00 0.00 H ATOM 1654 HE2 LYS A 134 -21.872 14.786 1.766 1.00 0.00 H ATOM 1655 HE3 LYS A 134 -22.481 16.309 1.078 1.00 0.00 H ATOM 1656 HZ1 LYS A 134 -21.472 15.937 3.860 1.00 0.00 H ATOM 1657 HZ2 LYS A 134 -22.053 17.393 3.203 1.00 0.00 H ATOM 1658 HZ3 LYS A 134 -23.104 16.073 3.407 1.00 0.00 H ATOM 1659 H LYS A 134 -19.351 16.986 -2.375 1.00 0.00 H ATOM 1660 N LYS A 135 -19.249 13.781 -2.420 1.00 43.07 N ATOM 1661 CA LYS A 135 -19.566 12.396 -2.723 1.00 43.87 C ATOM 1662 C LYS A 135 -19.470 12.189 -4.230 1.00 42.52 C ATOM 1663 O LYS A 135 -20.445 11.825 -4.882 1.00 42.72 O ATOM 1664 CB LYS A 135 -20.969 12.036 -2.226 1.00 46.24 C ATOM 1665 CG LYS A 135 -21.100 12.058 -0.697 1.00 52.35 C ATOM 1666 CD LYS A 135 -22.411 11.435 -0.217 1.00 54.17 C ATOM 1667 CE LYS A 135 -23.618 12.237 -0.675 1.00 56.91 C ATOM 1668 NZ LYS A 135 -24.898 11.604 -0.227 1.00 60.40 N ATOM 1669 HA LYS A 135 -18.856 11.745 -2.213 1.00 0.00 H ATOM 1670 HB2 LYS A 135 -21.678 12.751 -2.644 1.00 0.00 H ATOM 1671 HB3 LYS A 135 -21.214 11.035 -2.579 1.00 0.00 H ATOM 1672 HG2 LYS A 135 -20.268 11.501 -0.266 1.00 0.00 H ATOM 1673 HG3 LYS A 135 -21.058 13.093 -0.356 1.00 0.00 H ATOM 1674 HD2 LYS A 135 -22.488 10.423 -0.615 1.00 0.00 H ATOM 1675 HD3 LYS A 135 -22.406 11.396 0.872 1.00 0.00 H ATOM 1676 HE2 LYS A 135 -23.613 12.295 -1.763 1.00 0.00 H ATOM 1677 HE3 LYS A 135 -23.555 13.242 -0.258 1.00 0.00 H ATOM 1678 HZ1 LYS A 135 -24.968 10.646 -0.626 1.00 0.00 H ATOM 1679 HZ2 LYS A 135 -24.912 11.551 0.812 1.00 0.00 H ATOM 1680 HZ3 LYS A 135 -25.701 12.177 -0.557 1.00 0.00 H ATOM 1681 H LYS A 135 -19.877 14.534 -2.767 1.00 0.00 H ATOM 1682 N PHE A 136 -18.282 12.432 -4.775 1.00 41.06 N ATOM 1683 CA PHE A 136 -18.043 12.269 -6.202 1.00 40.45 C ATOM 1684 C PHE A 136 -18.128 10.804 -6.646 1.00 40.55 C ATOM 1685 O PHE A 136 -18.764 10.473 -7.647 1.00 39.90 O ATOM 1686 CB PHE A 136 -16.665 12.829 -6.567 1.00 37.24 C ATOM 1687 CG PHE A 136 -16.276 12.584 -7.995 1.00 38.42 C ATOM 1688 CD1 PHE A 136 -17.098 13.021 -9.031 1.00 36.09 C ATOM 1689 CD2 PHE A 136 -15.109 11.888 -8.310 1.00 38.16 C ATOM 1690 CE1 PHE A 136 -16.775 12.764 -10.360 1.00 37.73 C ATOM 1691 CE2 PHE A 136 -14.774 11.627 -9.649 1.00 41.08 C ATOM 1692 CZ PHE A 136 -15.615 12.068 -10.675 1.00 38.17 C ATOM 1693 HA PHE A 136 -18.826 12.820 -6.723 1.00 0.00 H ATOM 1694 HB2 PHE A 136 -16.672 13.905 -6.391 1.00 0.00 H ATOM 1695 HB3 PHE A 136 -15.921 12.362 -5.922 1.00 0.00 H ATOM 1696 HD2 PHE A 136 -14.452 11.544 -7.511 1.00 0.00 H ATOM 1697 HE2 PHE A 136 -13.861 11.082 -9.887 1.00 0.00 H ATOM 1698 HZ PHE A 136 -15.362 11.867 -11.716 1.00 0.00 H ATOM 1699 HE1 PHE A 136 -17.434 13.110 -11.156 1.00 0.00 H ATOM 1700 HD1 PHE A 136 -18.008 13.573 -8.797 1.00 0.00 H ATOM 1701 H PHE A 136 -17.501 12.747 -4.165 1.00 0.00 H ATOM 1702 N ILE A 137 -17.464 9.935 -5.894 1.00 40.13 N ATOM 1703 CA ILE A 137 -17.447 8.525 -6.216 1.00 42.34 C ATOM 1704 C ILE A 137 -17.233 7.696 -4.965 1.00 42.92 C ATOM 1705 O ILE A 137 -16.478 8.034 -4.054 1.00 42.43 O ATOM 1706 CB ILE A 137 -16.328 8.192 -7.222 1.00 42.49 C ATOM 1707 CG1 ILE A 137 -16.361 6.705 -7.610 1.00 43.74 C ATOM 1708 CG2 ILE A 137 -14.981 8.498 -6.598 1.00 39.14 C ATOM 1709 CD1 ILE A 137 -17.453 6.310 -8.581 1.00 45.20 C ATOM 1710 HA ILE A 137 -18.412 8.286 -6.662 1.00 0.00 H ATOM 1711 HB ILE A 137 -16.483 8.797 -8.116 1.00 0.00 H ATOM 1712 HG12 ILE A 137 -15.402 6.454 -8.063 1.00 0.00 H ATOM 1713 HG13 ILE A 137 -16.495 6.122 -6.698 1.00 0.00 H ATOM 1714 HD11 ILE A 137 -18.425 6.536 -8.144 1.00 0.00 H ATOM 1715 HD12 ILE A 137 -17.332 6.868 -9.509 1.00 0.00 H ATOM 1716 HD13 ILE A 137 -17.386 5.242 -8.787 1.00 0.00 H ATOM 1717 HG21 ILE A 137 -14.934 9.556 -6.338 1.00 0.00 H ATOM 1718 HG22 ILE A 137 -14.853 7.896 -5.699 1.00 0.00 H ATOM 1719 HG23 ILE A 137 -14.190 8.262 -7.310 1.00 0.00 H ATOM 1720 H ILE A 137 -16.947 10.274 -5.058 1.00 0.00 H ATOM 1721 N ARG A 138 -17.942 6.584 -4.937 1.00 45.30 N ATOM 1722 CA ARG A 138 -17.873 5.651 -3.835 1.00 47.55 C ATOM 1723 C ARG A 138 -16.514 4.987 -3.737 1.00 45.84 C ATOM 1724 O ARG A 138 -16.035 4.468 -4.700 1.00 43.02 O ATOM 1725 CB ARG A 138 -18.939 4.580 -4.016 1.00 50.45 C ATOM 1726 CG ARG A 138 -20.189 4.662 -3.201 1.00 55.23 C ATOM 1727 CD ARG A 138 -20.442 3.256 -2.626 1.00 60.79 C ATOM 1728 NE ARG A 138 -20.703 3.303 -1.193 1.00 64.19 N ATOM 1729 CZ ARG A 138 -20.153 2.476 -0.310 1.00 66.43 C ATOM 1730 NH1 ARG A 138 -19.303 1.544 -0.702 1.00 65.18 N ATOM 1731 NH2 ARG A 138 -20.451 2.581 0.971 1.00 67.34 N ATOM 1732 HA ARG A 138 -18.040 6.210 -2.915 1.00 0.00 H ATOM 1733 HB2 ARG A 138 -19.238 4.599 -5.064 1.00 0.00 H ATOM 1734 HB3 ARG A 138 -18.472 3.621 -3.790 1.00 0.00 H ATOM 1735 HG2 ARG A 138 -20.062 5.381 -2.392 1.00 0.00 H ATOM 1736 HG3 ARG A 138 -21.027 4.967 -3.828 1.00 0.00 H ATOM 1737 HD2 ARG A 138 -19.564 2.636 -2.806 1.00 0.00 H ATOM 1738 HD3 ARG A 138 -21.304 2.817 -3.129 1.00 0.00 H ATOM 1739 HE ARG A 138 -21.360 4.028 -0.840 1.00 0.00 H ATOM 1740 HH12 ARG A 138 -18.878 0.901 -0.004 1.00 0.00 H ATOM 1741 HH11 ARG A 138 -19.059 1.453 -1.709 1.00 0.00 H ATOM 1742 HH22 ARG A 138 -20.019 1.933 1.660 1.00 0.00 H ATOM 1743 HH21 ARG A 138 -21.118 3.312 1.292 1.00 0.00 H ATOM 1744 H ARG A 138 -18.573 6.371 -5.736 1.00 0.00 H ATOM 1745 N ARG A 139 -15.904 5.043 -2.552 1.00 45.83 N ATOM 1746 CA ARG A 139 -14.599 4.414 -2.314 1.00 48.99 C ATOM 1747 C ARG A 139 -14.729 2.924 -2.548 1.00 50.79 C ATOM 1748 O ARG A 139 -13.738 2.261 -2.826 1.00 51.63 O ATOM 1749 CB ARG A 139 -14.043 4.703 -0.891 1.00 49.34 C ATOM 1750 CG ARG A 139 -13.293 6.029 -0.793 1.00 47.33 C ATOM 1751 CD ARG A 139 -13.157 6.515 0.636 1.00 49.32 C ATOM 1752 NE ARG A 139 -12.296 5.682 1.481 1.00 50.89 N ATOM 1753 CZ ARG A 139 -10.965 5.746 1.501 1.00 51.24 C ATOM 1754 NH1 ARG A 139 -10.328 6.604 0.716 1.00 54.18 N ATOM 1755 NH2 ARG A 139 -10.269 4.977 2.328 1.00 49.67 N ATOM 1756 HA ARG A 139 -13.880 4.845 -3.011 1.00 0.00 H ATOM 1757 HB2 ARG A 139 -14.878 4.725 -0.191 1.00 0.00 H ATOM 1758 HB3 ARG A 139 -13.361 3.898 -0.616 1.00 0.00 H ATOM 1759 HG2 ARG A 139 -12.296 5.899 -1.215 1.00 0.00 H ATOM 1760 HG3 ARG A 139 -13.834 6.780 -1.368 1.00 0.00 H ATOM 1761 HD2 ARG A 139 -14.151 6.542 1.083 1.00 0.00 H ATOM 1762 HD3 ARG A 139 -12.742 7.523 0.615 1.00 0.00 H ATOM 1763 HE ARG A 139 -12.756 4.993 2.109 1.00 0.00 H ATOM 1764 HH12 ARG A 139 -9.289 6.652 0.733 1.00 0.00 H ATOM 1765 HH11 ARG A 139 -10.867 7.229 0.083 1.00 0.00 H ATOM 1766 HH22 ARG A 139 -9.230 5.032 2.339 1.00 0.00 H ATOM 1767 HH21 ARG A 139 -10.762 4.320 2.966 1.00 0.00 H ATOM 1768 H ARG A 139 -16.368 5.549 -1.771 1.00 0.00 H ATOM 1769 N GLY A 140 -15.960 2.417 -2.486 1.00 54.20 N ATOM 1770 CA GLY A 140 -16.198 1.005 -2.734 1.00 57.46 C ATOM 1771 C GLY A 140 -16.114 0.657 -4.213 1.00 60.87 C ATOM 1772 O GLY A 140 -15.729 -0.462 -4.587 1.00 61.51 O ATOM 1773 HA3 GLY A 140 -17.192 0.747 -2.369 1.00 0.00 H ATOM 1774 HA2 GLY A 140 -15.451 0.423 -2.194 1.00 0.00 H ATOM 1775 H GLY A 140 -16.761 3.040 -2.257 1.00 0.00 H ATOM 1776 N PHE A 141 -16.470 1.620 -5.060 1.00 63.49 N ATOM 1777 CA PHE A 141 -16.432 1.431 -6.505 1.00 66.12 C ATOM 1778 C PHE A 141 -14.997 1.382 -7.024 1.00 67.41 C ATOM 1779 O PHE A 141 -14.681 0.613 -7.937 1.00 67.27 O ATOM 1780 CB PHE A 141 -17.187 2.564 -7.207 1.00 68.40 C ATOM 1781 CG PHE A 141 -18.488 2.131 -7.818 1.00 71.25 C ATOM 1782 CD1 PHE A 141 -19.627 1.962 -7.033 1.00 73.53 C ATOM 1783 CD2 PHE A 141 -18.578 1.904 -9.190 1.00 73.10 C ATOM 1784 CE1 PHE A 141 -20.835 1.542 -7.603 1.00 74.70 C ATOM 1785 CE2 PHE A 141 -19.774 1.483 -9.774 1.00 74.12 C ATOM 1786 CZ PHE A 141 -20.911 1.314 -8.982 1.00 75.21 C ATOM 1787 HA PHE A 141 -16.912 0.477 -6.725 1.00 0.00 H ATOM 1788 HB2 PHE A 141 -17.393 3.346 -6.476 1.00 0.00 H ATOM 1789 HB3 PHE A 141 -16.551 2.964 -7.997 1.00 0.00 H ATOM 1790 HD2 PHE A 141 -17.700 2.058 -9.817 1.00 0.00 H ATOM 1791 HE2 PHE A 141 -19.820 1.287 -10.845 1.00 0.00 H ATOM 1792 HZ PHE A 141 -21.853 1.006 -9.435 1.00 0.00 H ATOM 1793 HE1 PHE A 141 -21.713 1.393 -6.975 1.00 0.00 H ATOM 1794 HD1 PHE A 141 -19.577 2.159 -5.962 1.00 0.00 H ATOM 1795 H PHE A 141 -16.785 2.535 -4.679 1.00 0.00 H ATOM 1796 N LEU A 142 -14.131 2.210 -6.448 1.00 68.19 N ATOM 1797 CA LEU A 142 -12.735 2.245 -6.863 1.00 69.76 C ATOM 1798 C LEU A 142 -12.048 0.886 -6.688 1.00 71.20 C ATOM 1799 O LEU A 142 -11.295 0.449 -7.563 1.00 70.88 O ATOM 1800 CB LEU A 142 -11.981 3.321 -6.076 1.00 69.26 C ATOM 1801 CG LEU A 142 -11.912 4.727 -6.684 1.00 68.78 C ATOM 1802 CD1 LEU A 142 -13.254 5.125 -7.261 1.00 69.36 C ATOM 1803 CD2 LEU A 142 -11.474 5.713 -5.615 1.00 67.77 C ATOM 1804 HA LEU A 142 -12.714 2.487 -7.926 1.00 0.00 H ATOM 1805 HB2 LEU A 142 -12.462 3.410 -5.102 1.00 0.00 H ATOM 1806 HB3 LEU A 142 -10.957 2.972 -5.944 1.00 0.00 H ATOM 1807 HG LEU A 142 -11.186 4.732 -7.497 1.00 0.00 H ATOM 1808 HD21 LEU A 142 -12.194 5.703 -4.796 1.00 0.00 H ATOM 1809 HD22 LEU A 142 -10.491 5.428 -5.240 1.00 0.00 H ATOM 1810 HD23 LEU A 142 -11.424 6.714 -6.044 1.00 0.00 H ATOM 1811 HD11 LEU A 142 -13.538 4.417 -8.039 1.00 0.00 H ATOM 1812 HD12 LEU A 142 -14.004 5.118 -6.470 1.00 0.00 H ATOM 1813 HD13 LEU A 142 -13.182 6.126 -7.687 1.00 0.00 H ATOM 1814 H LEU A 142 -14.455 2.843 -5.689 1.00 0.00 H ATOM 1815 N LEU A 143 -12.319 0.226 -5.561 1.00 72.02 N ATOM 1816 CA LEU A 143 -11.753 -1.086 -5.255 1.00 73.37 C ATOM 1817 C LEU A 143 -12.122 -2.133 -6.313 1.00 74.63 C ATOM 1818 O LEU A 143 -11.271 -2.928 -6.704 1.00 75.68 O ATOM 1819 CB LEU A 143 -12.260 -1.577 -3.901 1.00 74.01 C ATOM 1820 CG LEU A 143 -11.805 -0.848 -2.644 1.00 73.48 C ATOM 1821 CD1 LEU A 143 -12.660 -1.309 -1.476 1.00 75.08 C ATOM 1822 CD2 LEU A 143 -10.333 -1.129 -2.387 1.00 73.40 C ATOM 1823 HA LEU A 143 -10.670 -0.966 -5.241 1.00 0.00 H ATOM 1824 HB2 LEU A 143 -13.348 -1.524 -3.927 1.00 0.00 H ATOM 1825 HB3 LEU A 143 -11.950 -2.617 -3.799 1.00 0.00 H ATOM 1826 HG LEU A 143 -11.924 0.228 -2.769 1.00 0.00 H ATOM 1827 HD21 LEU A 143 -10.187 -2.201 -2.254 1.00 0.00 H ATOM 1828 HD22 LEU A 143 -9.745 -0.783 -3.237 1.00 0.00 H ATOM 1829 HD23 LEU A 143 -10.016 -0.604 -1.486 1.00 0.00 H ATOM 1830 HD11 LEU A 143 -13.706 -1.079 -1.680 1.00 0.00 H ATOM 1831 HD12 LEU A 143 -12.543 -2.385 -1.344 1.00 0.00 H ATOM 1832 HD13 LEU A 143 -12.343 -0.793 -0.570 1.00 0.00 H ATOM 1833 H LEU A 143 -12.961 0.664 -4.870 1.00 0.00 H ATOM 1834 N ASP A 144 -13.376 -2.143 -6.754 1.00 75.99 N ATOM 1835 CA ASP A 144 -13.813 -3.101 -7.742 1.00 77.61 C ATOM 1836 C ASP A 144 -12.978 -3.019 -9.011 1.00 77.83 C ATOM 1837 O ASP A 144 -13.149 -2.113 -9.828 1.00 77.86 O ATOM 1838 CB ASP A 144 -15.304 -2.880 -8.110 1.00 78.00 C ATOM 1839 CG ASP A 144 -15.961 -4.128 -8.668 1.00 79.50 C ATOM 1840 OD1 ASP A 144 -15.772 -5.217 -8.088 1.00 80.32 O ATOM 1841 OD2 ASP A 144 -16.667 -4.027 -9.688 1.00 79.44 O ATOM 1842 HA ASP A 144 -13.687 -4.088 -7.298 1.00 0.00 H ATOM 1843 HB2 ASP A 144 -15.843 -2.573 -7.214 1.00 0.00 H ATOM 1844 HB3 ASP A 144 -15.365 -2.089 -8.858 1.00 0.00 H ATOM 1845 H ASP A 144 -14.054 -1.449 -6.381 1.00 0.00 H ATOM 1846 N GLU A 145 -12.112 -4.007 -9.180 1.00 78.68 N ATOM 1847 CA GLU A 145 -11.205 -4.093 -10.317 1.00 78.39 C ATOM 1848 C GLU A 145 -11.988 -4.274 -11.590 1.00 77.39 C ATOM 1849 O GLU A 145 -11.507 -3.953 -12.677 1.00 77.84 O ATOM 1850 CB GLU A 145 -10.237 -5.256 -10.094 1.00 80.57 C ATOM 1851 CG GLU A 145 -9.158 -5.454 -11.139 1.00 83.69 C ATOM 1852 CD GLU A 145 -7.922 -6.132 -10.560 1.00 85.12 C ATOM 1853 OE1 GLU A 145 -8.059 -7.218 -9.948 1.00 85.64 O ATOM 1854 OE2 GLU A 145 -6.815 -5.570 -10.718 1.00 86.00 O ATOM 1855 HA GLU A 145 -10.632 -3.170 -10.408 1.00 0.00 H ATOM 1856 HB2 GLU A 145 -9.743 -5.096 -9.135 1.00 0.00 H ATOM 1857 HB3 GLU A 145 -10.826 -6.172 -10.049 1.00 0.00 H ATOM 1858 HG2 GLU A 145 -9.556 -6.073 -11.943 1.00 0.00 H ATOM 1859 HG3 GLU A 145 -8.872 -4.481 -11.539 1.00 0.00 H ATOM 1860 H GLU A 145 -12.078 -4.760 -8.464 1.00 0.00 H ATOM 1861 N ALA A 146 -13.216 -4.752 -11.424 1.00 75.81 N ATOM 1862 CA ALA A 146 -14.113 -4.972 -12.537 1.00 74.26 C ATOM 1863 C ALA A 146 -14.390 -3.670 -13.280 1.00 72.99 C ATOM 1864 O ALA A 146 -14.648 -3.681 -14.488 1.00 72.80 O ATOM 1865 CB ALA A 146 -15.431 -5.589 -12.040 1.00 74.52 C ATOM 1866 HA ALA A 146 -13.634 -5.664 -13.230 1.00 0.00 H ATOM 1867 HB1 ALA A 146 -15.224 -6.542 -11.553 1.00 0.00 H ATOM 1868 HB2 ALA A 146 -15.903 -4.911 -11.329 1.00 0.00 H ATOM 1869 HB3 ALA A 146 -16.098 -5.750 -12.887 1.00 0.00 H ATOM 1870 H ALA A 146 -13.543 -4.975 -10.462 1.00 0.00 H ATOM 1871 N ASN A 147 -14.348 -2.554 -12.554 1.00 70.61 N ATOM 1872 CA ASN A 147 -14.604 -1.241 -13.140 1.00 68.04 C ATOM 1873 C ASN A 147 -13.390 -0.689 -13.886 1.00 65.84 C ATOM 1874 O ASN A 147 -13.535 0.131 -14.797 1.00 66.48 O ATOM 1875 CB ASN A 147 -15.022 -0.240 -12.054 1.00 69.04 C ATOM 1876 CG ASN A 147 -16.364 -0.576 -11.432 1.00 69.30 C ATOM 1877 OD1 ASN A 147 -17.380 -0.659 -12.128 1.00 69.34 O ATOM 1878 ND2 ASN A 147 -16.378 -0.765 -10.114 1.00 67.23 N ATOM 1879 HA ASN A 147 -15.412 -1.374 -13.859 1.00 0.00 H ATOM 1880 HB2 ASN A 147 -14.265 -0.239 -11.270 1.00 0.00 H ATOM 1881 HB3 ASN A 147 -15.083 0.753 -12.500 1.00 0.00 H ATOM 1882 HD22 ASN A 147 -15.497 -0.685 -9.568 1.00 0.00 H ATOM 1883 HD21 ASN A 147 -17.270 -0.993 -9.631 1.00 0.00 H ATOM 1884 H ASN A 147 -14.126 -2.620 -11.540 1.00 0.00 H ATOM 1885 N GLY A 148 -12.197 -1.134 -13.497 1.00 62.64 N ATOM 1886 CA GLY A 148 -10.984 -0.659 -14.142 1.00 58.74 C ATOM 1887 C GLY A 148 -10.807 0.835 -13.944 1.00 56.13 C ATOM 1888 O GLY A 148 -10.468 1.563 -14.874 1.00 54.99 O ATOM 1889 HA3 GLY A 148 -11.041 -0.872 -15.209 1.00 0.00 H ATOM 1890 HA2 GLY A 148 -10.127 -1.179 -13.715 1.00 0.00 H ATOM 1891 H GLY A 148 -12.132 -1.828 -12.725 1.00 0.00 H ATOM 1892 N LEU A 149 -11.045 1.289 -12.719 1.00 54.03 N ATOM 1893 CA LEU A 149 -10.931 2.697 -12.375 1.00 52.05 C ATOM 1894 C LEU A 149 -9.571 3.002 -11.749 1.00 50.74 C ATOM 1895 O LEU A 149 -9.156 4.161 -11.687 1.00 50.13 O ATOM 1896 CB LEU A 149 -12.069 3.086 -11.418 1.00 50.71 C ATOM 1897 CG LEU A 149 -13.320 3.793 -11.966 1.00 51.19 C ATOM 1898 CD1 LEU A 149 -13.624 3.375 -13.388 1.00 51.18 C ATOM 1899 CD2 LEU A 149 -14.493 3.492 -11.059 1.00 48.51 C ATOM 1900 HA LEU A 149 -11.013 3.288 -13.287 1.00 0.00 H ATOM 1901 HB2 LEU A 149 -12.409 2.167 -10.941 1.00 0.00 H ATOM 1902 HB3 LEU A 149 -11.637 3.746 -10.665 1.00 0.00 H ATOM 1903 HG LEU A 149 -13.133 4.867 -11.984 1.00 0.00 H ATOM 1904 HD21 LEU A 149 -14.661 2.415 -11.030 1.00 0.00 H ATOM 1905 HD22 LEU A 149 -14.276 3.854 -10.054 1.00 0.00 H ATOM 1906 HD23 LEU A 149 -15.384 3.990 -11.442 1.00 0.00 H ATOM 1907 HD11 LEU A 149 -12.779 3.628 -14.028 1.00 0.00 H ATOM 1908 HD12 LEU A 149 -13.796 2.299 -13.420 1.00 0.00 H ATOM 1909 HD13 LEU A 149 -14.515 3.898 -13.736 1.00 0.00 H ATOM 1910 H LEU A 149 -11.323 0.613 -11.979 1.00 0.00 H ATOM 1911 N LEU A 150 -8.880 1.958 -11.293 1.00 48.78 N ATOM 1912 CA LEU A 150 -7.562 2.131 -10.689 1.00 47.88 C ATOM 1913 C LEU A 150 -6.473 1.289 -11.343 1.00 47.74 C ATOM 1914 O LEU A 150 -5.747 0.562 -10.661 1.00 49.40 O ATOM 1915 CB LEU A 150 -7.597 1.813 -9.190 1.00 45.78 C ATOM 1916 CG LEU A 150 -8.150 2.886 -8.253 1.00 46.04 C ATOM 1917 CD1 LEU A 150 -8.030 2.405 -6.815 1.00 46.63 C ATOM 1918 CD2 LEU A 150 -7.380 4.184 -8.442 1.00 43.81 C ATOM 1919 HA LEU A 150 -7.310 3.179 -10.850 1.00 0.00 H ATOM 1920 HB2 LEU A 150 -8.208 0.920 -9.060 1.00 0.00 H ATOM 1921 HB3 LEU A 150 -6.575 1.602 -8.877 1.00 0.00 H ATOM 1922 HG LEU A 150 -9.200 3.069 -8.483 1.00 0.00 H ATOM 1923 HD21 LEU A 150 -6.327 4.016 -8.216 1.00 0.00 H ATOM 1924 HD22 LEU A 150 -7.483 4.519 -9.474 1.00 0.00 H ATOM 1925 HD23 LEU A 150 -7.780 4.944 -7.771 1.00 0.00 H ATOM 1926 HD11 LEU A 150 -8.599 1.483 -6.693 1.00 0.00 H ATOM 1927 HD12 LEU A 150 -6.982 2.220 -6.581 1.00 0.00 H ATOM 1928 HD13 LEU A 150 -8.424 3.168 -6.144 1.00 0.00 H ATOM 1929 H LEU A 150 -9.286 1.004 -11.369 1.00 0.00 H ATOM 1930 N PRO A 151 -6.330 1.385 -12.674 1.00 46.01 N ATOM 1931 CA PRO A 151 -5.293 0.599 -13.355 1.00 44.61 C ATOM 1932 C PRO A 151 -3.908 0.854 -12.758 1.00 43.78 C ATOM 1933 O PRO A 151 -3.458 2.003 -12.676 1.00 41.32 O ATOM 1934 CB PRO A 151 -5.395 1.078 -14.804 1.00 44.64 C ATOM 1935 CG PRO A 151 -5.857 2.506 -14.648 1.00 45.73 C ATOM 1936 CD PRO A 151 -6.926 2.375 -13.588 1.00 45.60 C ATOM 1937 HA PRO A 151 -5.434 -0.477 -13.256 1.00 0.00 H ATOM 1938 HD3 PRO A 151 -7.103 3.325 -13.083 1.00 0.00 H ATOM 1939 HD2 PRO A 151 -7.862 2.011 -14.012 1.00 0.00 H ATOM 1940 HG3 PRO A 151 -6.268 2.894 -15.580 1.00 0.00 H ATOM 1941 HG2 PRO A 151 -5.045 3.151 -14.314 1.00 0.00 H ATOM 1942 HB2 PRO A 151 -4.427 1.030 -15.304 1.00 0.00 H ATOM 1943 HB3 PRO A 151 -6.121 0.488 -15.363 1.00 0.00 H ATOM 1944 N ASP A 152 -3.242 -0.223 -12.342 1.00 43.27 N ATOM 1945 CA ASP A 152 -1.913 -0.146 -11.744 1.00 42.20 C ATOM 1946 C ASP A 152 -1.867 0.848 -10.584 1.00 41.40 C ATOM 1947 O ASP A 152 -0.880 1.568 -10.409 1.00 41.68 O ATOM 1948 CB ASP A 152 -0.878 0.235 -12.812 1.00 42.34 C ATOM 1949 HA ASP A 152 -1.673 -1.130 -11.341 1.00 0.00 H ATOM 1950 HB2 ASP A 152 -0.875 -0.520 -13.599 1.00 0.00 H ATOM 1951 HB3 ASP A 152 -1.137 1.204 -13.238 1.00 0.00 H ATOM 1952 H ASP A 152 -3.688 -1.157 -12.448 1.00 0.00 H ATOM 1953 N ASP A 153 -2.935 0.889 -9.794 1.00 41.90 N ATOM 1954 CA ASP A 153 -3.007 1.805 -8.648 1.00 43.52 C ATOM 1955 C ASP A 153 -2.890 3.271 -9.048 1.00 42.51 C ATOM 1956 O ASP A 153 -2.362 4.098 -8.304 1.00 42.33 O ATOM 1957 CB ASP A 153 -1.915 1.474 -7.628 1.00 46.90 C ATOM 1958 CG ASP A 153 -2.305 0.348 -6.724 1.00 48.53 C ATOM 1959 OD1 ASP A 153 -3.466 -0.098 -6.807 1.00 51.33 O ATOM 1960 OD2 ASP A 153 -1.458 -0.087 -5.917 1.00 55.88 O ATOM 1961 HA ASP A 153 -3.993 1.662 -8.206 1.00 0.00 H ATOM 1962 HB2 ASP A 153 -1.007 1.196 -8.164 1.00 0.00 H ATOM 1963 HB3 ASP A 153 -1.721 2.359 -7.022 1.00 0.00 H ATOM 1964 H ASP A 153 -3.738 0.258 -9.992 1.00 0.00 H ATOM 1965 N LYS A 154 -3.370 3.580 -10.243 1.00 40.62 N ATOM 1966 CA LYS A 154 -3.337 4.937 -10.761 1.00 39.93 C ATOM 1967 C LYS A 154 -4.751 5.431 -10.959 1.00 36.47 C ATOM 1968 O LYS A 154 -5.569 4.753 -11.562 1.00 37.21 O ATOM 1969 CB LYS A 154 -2.595 4.985 -12.100 1.00 40.50 C ATOM 1970 CG LYS A 154 -1.104 5.156 -11.966 1.00 41.98 C ATOM 1971 CD LYS A 154 -0.437 5.163 -13.320 1.00 46.25 C ATOM 1972 CE LYS A 154 1.042 5.487 -13.194 1.00 49.99 C ATOM 1973 NZ LYS A 154 1.745 4.603 -12.220 1.00 50.23 N ATOM 1974 HA LYS A 154 -2.814 5.572 -10.046 1.00 0.00 H ATOM 1975 HB2 LYS A 154 -2.787 4.054 -12.633 1.00 0.00 H ATOM 1976 HB3 LYS A 154 -2.986 5.821 -12.680 1.00 0.00 H ATOM 1977 HG2 LYS A 154 -0.897 6.100 -11.461 1.00 0.00 H ATOM 1978 HG3 LYS A 154 -0.702 4.333 -11.375 1.00 0.00 H ATOM 1979 HD2 LYS A 154 -0.550 4.181 -13.779 1.00 0.00 H ATOM 1980 HD3 LYS A 154 -0.915 5.914 -13.950 1.00 0.00 H ATOM 1981 HE2 LYS A 154 1.146 6.521 -12.865 1.00 0.00 H ATOM 1982 HE3 LYS A 154 1.509 5.370 -14.172 1.00 0.00 H ATOM 1983 HZ1 LYS A 154 1.313 4.713 -11.280 1.00 0.00 H ATOM 1984 HZ2 LYS A 154 1.661 3.613 -12.528 1.00 0.00 H ATOM 1985 HZ3 LYS A 154 2.749 4.869 -12.175 1.00 0.00 H ATOM 1986 H LYS A 154 -3.784 2.827 -10.829 1.00 0.00 H ATOM 1987 N LEU A 155 -5.043 6.611 -10.434 1.00 34.87 N ATOM 1988 CA LEU A 155 -6.366 7.194 -10.597 1.00 35.87 C ATOM 1989 C LEU A 155 -6.255 8.385 -11.540 1.00 34.70 C ATOM 1990 O LEU A 155 -5.530 9.347 -11.263 1.00 34.82 O ATOM 1991 CB LEU A 155 -6.942 7.646 -9.249 1.00 34.05 C ATOM 1992 CG LEU A 155 -8.299 8.356 -9.358 1.00 36.07 C ATOM 1993 CD1 LEU A 155 -9.323 7.473 -10.080 1.00 33.01 C ATOM 1994 CD2 LEU A 155 -8.787 8.709 -7.961 1.00 38.10 C ATOM 1995 HA LEU A 155 -7.040 6.443 -11.010 1.00 0.00 H ATOM 1996 HB2 LEU A 155 -7.064 6.767 -8.616 1.00 0.00 H ATOM 1997 HB3 LEU A 155 -6.232 8.331 -8.785 1.00 0.00 H ATOM 1998 HG LEU A 155 -8.180 9.268 -9.944 1.00 0.00 H ATOM 1999 HD21 LEU A 155 -8.895 7.797 -7.374 1.00 0.00 H ATOM 2000 HD22 LEU A 155 -8.064 9.368 -7.481 1.00 0.00 H ATOM 2001 HD23 LEU A 155 -9.751 9.214 -8.031 1.00 0.00 H ATOM 2002 HD11 LEU A 155 -8.963 7.248 -11.084 1.00 0.00 H ATOM 2003 HD12 LEU A 155 -9.456 6.545 -9.524 1.00 0.00 H ATOM 2004 HD13 LEU A 155 -10.275 8.000 -10.143 1.00 0.00 H ATOM 2005 H LEU A 155 -4.317 7.128 -9.898 1.00 0.00 H ATOM 2006 N THR A 156 -6.967 8.313 -12.657 1.00 34.17 N ATOM 2007 CA THR A 156 -6.941 9.384 -13.642 1.00 36.01 C ATOM 2008 C THR A 156 -8.270 10.152 -13.696 1.00 34.52 C ATOM 2009 O THR A 156 -9.325 9.611 -14.059 1.00 32.28 O ATOM 2010 CB THR A 156 -6.581 8.830 -15.030 1.00 37.56 C ATOM 2011 OG1 THR A 156 -5.349 8.098 -14.939 1.00 39.69 O ATOM 2012 CG2 THR A 156 -6.409 9.968 -16.027 1.00 37.98 C ATOM 2013 HA THR A 156 -6.171 10.091 -13.332 1.00 0.00 H ATOM 2014 HB THR A 156 -7.385 8.177 -15.370 1.00 0.00 H ATOM 2015 HG1 THR A 156 -5.457 7.350 -14.299 1.00 0.00 H ATOM 2016 HG23 THR A 156 -7.341 10.528 -16.101 1.00 0.00 H ATOM 2017 HG21 THR A 156 -5.612 10.629 -15.687 1.00 0.00 H ATOM 2018 HG22 THR A 156 -6.151 9.558 -17.004 1.00 0.00 H ATOM 2019 H THR A 156 -7.556 7.474 -12.832 1.00 0.00 H ATOM 2020 N LEU A 157 -8.192 11.424 -13.319 1.00 32.18 N ATOM 2021 CA LEU A 157 -9.349 12.307 -13.289 1.00 32.67 C ATOM 2022 C LEU A 157 -9.279 13.341 -14.415 1.00 32.19 C ATOM 2023 O LEU A 157 -8.202 13.855 -14.730 1.00 33.41 O ATOM 2024 CB LEU A 157 -9.412 13.002 -11.919 1.00 29.42 C ATOM 2025 CG LEU A 157 -9.530 12.047 -10.718 1.00 31.94 C ATOM 2026 CD1 LEU A 157 -9.451 12.835 -9.416 1.00 29.43 C ATOM 2027 CD2 LEU A 157 -10.853 11.256 -10.807 1.00 28.24 C ATOM 2028 HA LEU A 157 -10.253 11.718 -13.441 1.00 0.00 H ATOM 2029 HB2 LEU A 157 -8.504 13.593 -11.796 1.00 0.00 H ATOM 2030 HB3 LEU A 157 -10.278 13.664 -11.913 1.00 0.00 H ATOM 2031 HG LEU A 157 -8.703 11.337 -10.737 1.00 0.00 H ATOM 2032 HD21 LEU A 157 -11.692 11.952 -10.799 1.00 0.00 H ATOM 2033 HD22 LEU A 157 -10.868 10.678 -11.731 1.00 0.00 H ATOM 2034 HD23 LEU A 157 -10.930 10.582 -9.954 1.00 0.00 H ATOM 2035 HD11 LEU A 157 -8.496 13.358 -9.367 1.00 0.00 H ATOM 2036 HD12 LEU A 157 -10.265 13.559 -9.381 1.00 0.00 H ATOM 2037 HD13 LEU A 157 -9.536 12.150 -8.572 1.00 0.00 H ATOM 2038 H LEU A 157 -7.267 11.804 -13.034 1.00 0.00 H ATOM 2039 N PHE A 158 -10.425 13.630 -15.026 1.00 32.72 N ATOM 2040 CA PHE A 158 -10.495 14.605 -16.112 1.00 33.19 C ATOM 2041 C PHE A 158 -11.500 15.691 -15.743 1.00 34.72 C ATOM 2042 O PHE A 158 -12.666 15.402 -15.449 1.00 35.48 O ATOM 2043 CB PHE A 158 -10.914 13.923 -17.419 1.00 32.24 C ATOM 2044 CG PHE A 158 -10.823 14.822 -18.628 1.00 32.54 C ATOM 2045 CD1 PHE A 158 -9.607 15.392 -19.000 1.00 31.17 C ATOM 2046 CD2 PHE A 158 -11.950 15.083 -19.406 1.00 32.35 C ATOM 2047 CE1 PHE A 158 -9.517 16.213 -20.118 1.00 31.68 C ATOM 2048 CE2 PHE A 158 -11.868 15.907 -20.530 1.00 30.07 C ATOM 2049 CZ PHE A 158 -10.652 16.469 -20.890 1.00 30.09 C ATOM 2050 HA PHE A 158 -9.511 15.050 -16.259 1.00 0.00 H ATOM 2051 HB2 PHE A 158 -10.267 13.061 -17.581 1.00 0.00 H ATOM 2052 HB3 PHE A 158 -11.946 13.587 -17.317 1.00 0.00 H ATOM 2053 HD2 PHE A 158 -12.907 14.638 -19.133 1.00 0.00 H ATOM 2054 HE2 PHE A 158 -12.759 16.109 -21.124 1.00 0.00 H ATOM 2055 HZ PHE A 158 -10.583 17.107 -21.771 1.00 0.00 H ATOM 2056 HE1 PHE A 158 -8.560 16.657 -20.392 1.00 0.00 H ATOM 2057 HD1 PHE A 158 -8.715 15.191 -18.407 1.00 0.00 H ATOM 2058 H PHE A 158 -11.295 13.148 -14.722 1.00 0.00 H ATOM 2059 N CYS A 159 -11.041 16.940 -15.743 1.00 34.61 N ATOM 2060 CA CYS A 159 -11.896 18.068 -15.391 1.00 35.26 C ATOM 2061 C CYS A 159 -12.022 19.040 -16.556 1.00 34.82 C ATOM 2062 O CYS A 159 -11.034 19.375 -17.213 1.00 36.12 O ATOM 2063 CB CYS A 159 -11.320 18.798 -14.159 1.00 35.84 C ATOM 2064 SG CYS A 159 -12.199 20.317 -13.598 1.00 42.62 S ATOM 2065 HA CYS A 159 -12.889 17.685 -15.155 1.00 0.00 H ATOM 2066 HB2 CYS A 159 -10.294 19.080 -14.394 1.00 0.00 H ATOM 2067 HB3 CYS A 159 -11.321 18.092 -13.328 1.00 0.00 H ATOM 2068 HG CYS A 159 -11.555 20.838 -12.494 1.00 0.00 H ATOM 2069 H CYS A 159 -10.049 17.116 -16.000 1.00 0.00 H ATOM 2070 N GLU A 160 -13.249 19.479 -16.802 1.00 34.83 N ATOM 2071 CA GLU A 160 -13.553 20.437 -17.863 1.00 36.03 C ATOM 2072 C GLU A 160 -14.195 21.649 -17.196 1.00 36.27 C ATOM 2073 O GLU A 160 -15.229 21.523 -16.537 1.00 34.68 O ATOM 2074 CB GLU A 160 -14.531 19.831 -18.862 1.00 35.58 C ATOM 2075 CG GLU A 160 -13.973 18.629 -19.585 1.00 39.02 C ATOM 2076 CD GLU A 160 -15.042 17.874 -20.328 1.00 40.24 C ATOM 2077 OE1 GLU A 160 -15.695 18.483 -21.198 1.00 40.00 O ATOM 2078 OE2 GLU A 160 -15.231 16.675 -20.038 1.00 41.36 O ATOM 2079 HA GLU A 160 -12.646 20.711 -18.402 1.00 0.00 H ATOM 2080 HB2 GLU A 160 -15.430 19.527 -18.326 1.00 0.00 H ATOM 2081 HB3 GLU A 160 -14.789 20.591 -19.600 1.00 0.00 H ATOM 2082 HG2 GLU A 160 -13.219 18.965 -20.297 1.00 0.00 H ATOM 2083 HG3 GLU A 160 -13.512 17.962 -18.857 1.00 0.00 H ATOM 2084 H GLU A 160 -14.030 19.126 -16.213 1.00 0.00 H ATOM 2085 N VAL A 161 -13.580 22.813 -17.385 1.00 35.39 N ATOM 2086 CA VAL A 161 -14.049 24.055 -16.786 1.00 35.53 C ATOM 2087 C VAL A 161 -14.533 25.029 -17.851 1.00 36.33 C ATOM 2088 O VAL A 161 -13.904 25.176 -18.902 1.00 35.10 O ATOM 2089 CB VAL A 161 -12.901 24.748 -15.987 1.00 36.35 C ATOM 2090 CG1 VAL A 161 -13.450 25.875 -15.123 1.00 35.10 C ATOM 2091 CG2 VAL A 161 -12.164 23.726 -15.139 1.00 36.53 C ATOM 2092 HA VAL A 161 -14.872 23.798 -16.119 1.00 0.00 H ATOM 2093 HB VAL A 161 -12.196 25.183 -16.696 1.00 0.00 H ATOM 2094 HG11 VAL A 161 -13.934 26.616 -15.759 1.00 0.00 H ATOM 2095 HG12 VAL A 161 -14.176 25.470 -14.418 1.00 0.00 H ATOM 2096 HG13 VAL A 161 -12.632 26.343 -14.576 1.00 0.00 H ATOM 2097 HG21 VAL A 161 -12.861 23.266 -14.438 1.00 0.00 H ATOM 2098 HG22 VAL A 161 -11.738 22.959 -15.785 1.00 0.00 H ATOM 2099 HG23 VAL A 161 -11.366 24.222 -14.587 1.00 0.00 H ATOM 2100 H VAL A 161 -12.730 22.837 -17.984 1.00 0.00 H ATOM 2101 N SER A 162 -15.655 25.685 -17.573 1.00 37.16 N ATOM 2102 CA SER A 162 -16.218 26.687 -18.475 1.00 41.36 C ATOM 2103 C SER A 162 -16.319 27.987 -17.686 1.00 42.56 C ATOM 2104 O SER A 162 -17.133 28.100 -16.766 1.00 41.92 O ATOM 2105 CB SER A 162 -17.617 26.282 -18.957 1.00 41.00 C ATOM 2106 OG SER A 162 -17.576 25.092 -19.713 1.00 47.57 O ATOM 2107 HA SER A 162 -15.583 26.791 -19.355 1.00 0.00 H ATOM 2108 HB2 SER A 162 -18.025 27.082 -19.575 1.00 0.00 H ATOM 2109 HB3 SER A 162 -18.261 26.130 -18.091 1.00 0.00 H ATOM 2110 HG SER A 162 -17.211 24.360 -19.155 1.00 0.00 H ATOM 2111 H SER A 162 -16.150 25.478 -16.682 1.00 0.00 H ATOM 2112 N VAL A 163 -15.483 28.956 -18.031 1.00 45.18 N ATOM 2113 CA VAL A 163 -15.497 30.242 -17.348 1.00 49.47 C ATOM 2114 C VAL A 163 -16.412 31.233 -18.060 1.00 53.32 C ATOM 2115 O VAL A 163 -16.295 31.439 -19.268 1.00 53.65 O ATOM 2116 CB VAL A 163 -14.085 30.847 -17.266 1.00 49.31 C ATOM 2117 CG1 VAL A 163 -14.139 32.202 -16.580 1.00 50.33 C ATOM 2118 CG2 VAL A 163 -13.176 29.916 -16.501 1.00 47.83 C ATOM 2119 HA VAL A 163 -15.871 30.059 -16.341 1.00 0.00 H ATOM 2120 HB VAL A 163 -13.694 30.979 -18.275 1.00 0.00 H ATOM 2121 HG11 VAL A 163 -14.784 32.871 -17.150 1.00 0.00 H ATOM 2122 HG12 VAL A 163 -14.537 32.082 -15.573 1.00 0.00 H ATOM 2123 HG13 VAL A 163 -13.134 32.621 -16.527 1.00 0.00 H ATOM 2124 HG21 VAL A 163 -13.568 29.774 -15.494 1.00 0.00 H ATOM 2125 HG22 VAL A 163 -13.129 28.955 -17.013 1.00 0.00 H ATOM 2126 HG23 VAL A 163 -12.177 30.349 -16.446 1.00 0.00 H ATOM 2127 H VAL A 163 -14.805 28.795 -18.803 1.00 0.00 H ATOM 2128 N VAL A 164 -17.329 31.835 -17.307 1.00 57.06 N ATOM 2129 CA VAL A 164 -18.260 32.811 -17.865 1.00 60.59 C ATOM 2130 C VAL A 164 -17.585 34.174 -17.963 1.00 63.62 C ATOM 2131 O VAL A 164 -17.006 34.652 -16.984 1.00 64.49 O ATOM 2132 CB VAL A 164 -19.514 32.966 -16.982 1.00 60.34 C ATOM 2133 CG1 VAL A 164 -20.457 33.998 -17.599 1.00 60.24 C ATOM 2134 CG2 VAL A 164 -20.209 31.622 -16.821 1.00 59.73 C ATOM 2135 HA VAL A 164 -18.556 32.450 -18.850 1.00 0.00 H ATOM 2136 HB VAL A 164 -19.218 33.316 -15.993 1.00 0.00 H ATOM 2137 HG11 VAL A 164 -19.946 34.958 -17.672 1.00 0.00 H ATOM 2138 HG12 VAL A 164 -20.755 33.667 -18.594 1.00 0.00 H ATOM 2139 HG13 VAL A 164 -21.341 34.102 -16.970 1.00 0.00 H ATOM 2140 HG21 VAL A 164 -20.505 31.248 -17.801 1.00 0.00 H ATOM 2141 HG22 VAL A 164 -19.525 30.915 -16.352 1.00 0.00 H ATOM 2142 HG23 VAL A 164 -21.093 31.744 -16.195 1.00 0.00 H ATOM 2143 H VAL A 164 -17.384 31.604 -16.294 1.00 0.00 H ATOM 2144 N GLN A 165 -17.664 34.793 -19.141 1.00 66.75 N ATOM 2145 CA GLN A 165 -17.063 36.107 -19.366 1.00 69.87 C ATOM 2146 C GLN A 165 -18.047 37.224 -19.016 1.00 70.60 C ATOM 2147 O GLN A 165 -19.272 36.965 -19.021 1.00 70.96 O ATOM 2148 CB GLN A 165 -16.624 36.243 -20.832 1.00 71.92 C ATOM 2149 CG GLN A 165 -15.598 35.206 -21.268 1.00 75.65 C ATOM 2150 CD GLN A 165 -14.274 35.365 -20.547 1.00 77.81 C ATOM 2151 OE1 GLN A 165 -13.549 36.335 -20.766 1.00 79.30 O ATOM 2152 NE2 GLN A 165 -13.956 34.416 -19.673 1.00 78.87 N ATOM 2153 HA GLN A 165 -16.191 36.197 -18.718 1.00 0.00 H ATOM 2154 HB2 GLN A 165 -17.505 36.141 -21.465 1.00 0.00 H ATOM 2155 HB3 GLN A 165 -16.191 37.234 -20.970 1.00 0.00 H ATOM 2156 HG2 GLN A 165 -15.994 34.212 -21.059 1.00 0.00 H ATOM 2157 HG3 GLN A 165 -15.428 35.310 -22.340 1.00 0.00 H ATOM 2158 HE22 GLN A 165 -14.599 33.613 -19.520 1.00 0.00 H ATOM 2159 HE21 GLN A 165 -13.064 34.476 -19.142 1.00 0.00 H ATOM 2160 H GLN A 165 -18.168 34.328 -19.923 1.00 0.00 H TER 2161 GLN A 165 HETATM 2162 ZN ZN A 1 -0.551 2.141 5.908 1.00 73.64 ZN HETATM 2163 ZN ZN A 2 -3.950 2.381 6.829 1.00 78.49 ZN HETATM 2164 ZN ZN A 3 -15.700 15.049 -21.904 1.00 60.59 ZN HETATM 2165 O HOH 4 -19.975 28.574 -0.056 1.00 35.15 O HETATM 2166 O HOH 5 -1.043 17.384 -11.307 1.00 50.34 O HETATM 2167 O HOH 6 -14.930 15.494 2.066 1.00 48.01 O HETATM 2168 O HOH 7 -20.778 6.146 -15.586 1.00 54.51 O HETATM 2169 O HOH 8 -17.733 22.443 -17.989 1.00 40.61 O HETATM 2170 O HOH 9 -11.796 -0.076 -10.193 1.00 44.94 O HETATM 2171 O HOH 10 -25.028 22.062 -8.853 1.00 49.06 O HETATM 2172 O HOH 11 -8.802 12.254 3.106 1.00 55.81 O HETATM 2173 O HOH 12 -0.039 8.717 -3.862 1.00 45.79 O HETATM 2174 O HOH 13 0.900 23.974 -7.573 1.00 52.89 O HETATM 2175 O HOH 14 -5.666 5.491 -14.225 1.00 51.63 O HETATM 2176 O HOH 15 -0.895 22.458 -16.431 1.00 51.57 O HETATM 2177 O HOH 16 0.600 11.968 -0.898 1.00 57.54 O HETATM 2178 O HOH 17 -9.240 -1.098 -11.158 1.00 55.31 O HETATM 2179 O HOH 18 -9.336 23.719 -1.008 1.00 68.13 O HETATM 2180 O HOH 19 -0.995 22.549 -6.393 1.00 55.25 O HETATM 2181 O HOH 20 -21.639 15.363 -3.665 1.00 39.83 O HETATM 2182 O HOH 21 -1.444 15.069 1.419 1.00 46.03 O HETATM 2183 O HOH 22 -8.479 6.213 -13.609 1.00 33.35 O HETATM 2184 O HOH 23 -14.771 15.559 -17.513 1.00 29.86 O HETATM 2185 O HOH 24 -20.565 6.255 -6.772 1.00 39.78 O HETATM 2186 O HOH 25 -23.825 15.085 -12.638 1.00 58.03 O HETATM 2187 O HOH 26 -21.477 31.528 -24.478 1.00 74.68 O HETATM 2188 O HOH 27 -18.379 32.681 -3.627 1.00 45.23 O HETATM 2189 O HOH 28 -7.203 7.321 1.410 1.00 67.79 O HETATM 2190 O HOH 29 -9.555 35.150 -1.250 1.00 57.13 O HETATM 2191 O HOH 30 -6.404 4.582 6.513 1.00 55.23 O HETATM 2192 O HOH 31 2.400 23.394 -10.210 1.00 52.27 O HETATM 2193 O HOH 32 -25.574 29.344 -14.462 1.00 50.75 O HETATM 2194 O HOH 33 -6.191 20.752 -22.587 1.00 40.06 O HETATM 2195 O HOH 34 -0.720 12.979 -9.264 1.00 53.18 O HETATM 2196 O HOH 35 0.951 3.729 -9.406 1.00 39.64 O HETATM 2197 O HOH 36 1.101 16.502 -10.237 1.00 50.63 O HETATM 2198 O HOH 37 -0.699 11.028 -2.730 1.00 46.24 O HETATM 2199 O HOH 38 0.348 6.447 -1.153 1.00 47.86 O HETATM 2200 O HOH 39 -8.810 29.990 -16.283 1.00 47.00 O HETATM 2201 O HOH 40 -15.604 2.920 2.461 1.00 50.47 O HETATM 2202 O HOH 41 -20.301 8.106 2.769 1.00 53.86 O HETATM 2203 O HOH 42 -6.146 5.235 -17.905 1.00 56.53 O HETATM 2204 O HOH 43 -13.718 4.886 3.746 1.00 56.87 O HETATM 2205 O HOH 44 -25.216 23.589 -5.099 1.00 50.70 O HETATM 2206 O HOH 45 -22.388 17.899 -3.395 1.00 53.55 O HETATM 2207 O HOH 46 -19.081 20.580 2.017 1.00 40.20 O HETATM 2208 O HOH 47 -18.593 24.250 3.982 1.00 52.88 O HETATM 2209 O HOH 48 -15.591 27.266 6.364 1.00 56.07 O HETATM 2210 O HOH 49 -11.071 23.676 2.879 1.00 51.68 O HETATM 2211 O HOH 50 -13.544 26.552 -0.283 1.00 38.06 O HETATM 2212 O HOH 51 -25.655 16.492 -5.318 1.00 56.71 O HETATM 2213 N ALA A 52 -26.035 16.998 -10.538 1.00 0.24 N HETATM 2214 CA ALA A 52 -26.065 17.017 -9.044 1.00 0.06 C HETATM 2215 C ALA A 52 -25.743 18.415 -8.506 1.00 0.23 C HETATM 2216 O ALA A 52 -25.340 19.303 -9.264 1.00 -0.39 O HETATM 2217 N ALA A 52 -25.921 18.604 -7.198 1.00 -0.26 N HETATM 2218 CA ALA A 52 -25.646 19.895 -6.564 1.00 0.15 C HETATM 2219 C ALA A 52 -24.225 19.960 -6.025 1.00 0.21 C HETATM 2220 O ALA A 52 -23.793 19.074 -5.285 1.00 -0.39 O HETATM 2221 N ALA A 52 -23.507 21.022 -6.378 1.00 -0.26 N HETATM 2222 CA ALA A 52 -22.138 21.190 -5.906 1.00 0.13 C HETATM 2223 C ALA A 52 -22.130 21.717 -4.473 1.00 0.20 C HETATM 2224 O ALA A 52 -23.104 22.324 -4.013 1.00 -0.39 O HETATM 2225 N ALA A 52 -21.030 21.462 -3.772 1.00 -0.26 N HETATM 2226 CA ALA A 52 -20.851 21.927 -2.405 1.00 0.14 C HETATM 2227 C ALA A 52 -19.429 22.468 -2.298 1.00 0.21 C HETATM 2228 O ALA A 52 -18.590 22.210 -3.169 1.00 -0.39 O HETATM 2229 N ALA A 52 -19.163 23.219 -1.237 1.00 -0.26 N HETATM 2230 CA ALA A 52 -17.851 23.808 -1.023 1.00 0.15 C HETATM 2231 C ALA A 52 -17.347 23.382 0.345 1.00 0.21 C HETATM 2232 O ALA A 52 -18.145 23.166 1.266 1.00 -0.39 O HETATM 2233 N ALA A 52 -16.027 23.262 0.477 1.00 -0.26 N HETATM 2234 CA ALA A 52 -15.426 22.875 1.746 1.00 0.16 C HETATM 2235 C ALA A 52 -15.467 24.037 2.728 1.00 0.21 C HETATM 2236 O ALA A 52 -15.166 23.852 3.906 1.00 -0.39 O HETATM 2237 N ALA A 52 -15.827 25.229 2.247 1.00 -0.26 N HETATM 2238 CA ALA A 52 -15.899 26.419 3.108 1.00 0.16 C HETATM 2239 C ALA A 52 -17.231 27.176 2.975 1.00 0.21 C HETATM 2240 O ALA A 52 -17.881 27.147 1.930 1.00 -0.39 O HETATM 2241 N ALA A 52 -17.615 27.867 4.045 1.00 -0.26 N HETATM 2242 CA ALA A 52 -18.857 28.625 4.066 1.00 0.13 C HETATM 2243 C ALA A 52 -18.599 30.067 3.640 1.00 0.20 C HETATM 2244 O ALA A 52 -17.785 30.762 4.247 1.00 -0.39 O HETATM 2245 N ALA A 52 -19.283 30.508 2.586 1.00 -0.27 N HETATM 2246 CA ALA A 52 -19.115 31.871 2.101 1.00 0.10 C HETATM 2247 C ALA A 52 -17.779 32.179 1.441 1.00 0.12 C HETATM 2248 O ALA A 52 -16.892 31.290 1.407 1.00 -0.37 O HETATM 2249 H50 ALA A 52 -17.594 33.159 1.003 1.00 0.14 H HETATM 2250 H48 ALA A 52 -19.233 32.551 2.958 1.00 0.08 H HETATM 2251 H49 ALA A 52 -19.908 32.068 1.365 1.00 0.08 H HETATM 2252 H47 ALA A 52 -19.921 29.895 2.121 1.00 0.19 H HETATM 2253 CB ALA A 52 -19.458 28.599 5.475 1.00 -0.00 C HETATM 2254 CG ALA A 52 -19.862 27.217 5.974 1.00 0.00 C HETATM 2255 CD ALA A 52 -20.427 27.279 7.381 1.00 0.04 C HETATM 2256 OE1 ALA A 52 -21.666 27.150 7.529 1.00 -0.57 O HETATM 2257 OE2 ALA A 52 -19.627 27.479 8.331 1.00 -0.57 O HETATM 2258 H45 ALA A 52 -18.977 26.563 5.972 1.00 0.04 H HETATM 2259 H46 ALA A 52 -20.626 26.802 5.300 1.00 0.04 H HETATM 2260 H43 ALA A 52 -20.353 29.238 5.477 1.00 0.03 H HETATM 2261 H44 ALA A 52 -18.713 29.010 6.172 1.00 0.03 H HETATM 2262 H42 ALA A 52 -19.568 28.166 3.364 1.00 0.08 H HETATM 2263 H41 ALA A 52 -17.033 27.866 4.858 1.00 0.19 H HETATM 2264 CB ALA A 52 -14.761 27.437 2.800 1.00 0.09 C HETATM 2265 OG1 ALA A 52 -14.907 27.911 1.449 1.00 -0.39 O HETATM 2266 H37 ALA A 52 -14.851 27.177 0.849 1.00 0.21 H HETATM 2267 CG2 ALA A 52 -13.360 26.803 3.017 1.00 -0.03 C HETATM 2268 H38 ALA A 52 -12.582 27.547 2.791 1.00 0.03 H HETATM 2269 H39 ALA A 52 -13.243 25.936 2.350 1.00 0.03 H HETATM 2270 H40 ALA A 52 -13.263 26.477 4.063 1.00 0.03 H HETATM 2271 H36 ALA A 52 -14.861 28.292 3.485 1.00 0.06 H HETATM 2272 H35 ALA A 52 -15.794 26.080 4.149 1.00 0.08 H HETATM 2273 H34 ALA A 52 -16.053 25.315 1.277 1.00 0.19 H HETATM 2274 CB ALA A 52 -13.941 22.450 1.589 1.00 0.09 C HETATM 2275 OG1 ALA A 52 -13.187 23.534 1.027 1.00 -0.39 O HETATM 2276 H30 ALA A 52 -13.543 23.758 0.175 1.00 0.21 H HETATM 2277 CG2 ALA A 52 -13.822 21.237 0.691 1.00 -0.03 C HETATM 2278 H31 ALA A 52 -12.763 20.955 0.595 1.00 0.03 H HETATM 2279 H32 ALA A 52 -14.230 21.475 -0.302 1.00 0.03 H HETATM 2280 H33 ALA A 52 -14.386 20.400 1.128 1.00 0.03 H HETATM 2281 H29 ALA A 52 -13.534 22.202 2.580 1.00 0.06 H HETATM 2282 H28 ALA A 52 -15.998 22.030 2.157 1.00 0.08 H HETATM 2283 H27 ALA A 52 -15.437 23.441 -0.310 1.00 0.19 H HETATM 2284 CB ALA A 52 -17.954 25.336 -1.081 1.00 0.08 C HETATM 2285 OG ALA A 52 -16.680 25.948 -0.993 1.00 -0.39 O HETATM 2286 H26 ALA A 52 -16.139 25.656 -1.717 1.00 0.21 H HETATM 2287 H24 ALA A 52 -18.576 25.684 -0.243 1.00 0.06 H HETATM 2288 H25 ALA A 52 -18.424 25.626 -2.032 1.00 0.06 H HETATM 2289 H23 ALA A 52 -17.156 23.457 -1.800 1.00 0.08 H HETATM 2290 H22 ALA A 52 -19.885 23.385 -0.566 1.00 0.19 H HETATM 2291 CB ALA A 52 -21.077 20.783 -1.400 1.00 0.04 C HETATM 2292 CG ALA A 52 -20.043 19.671 -1.526 1.00 0.04 C HETATM 2293 OD1 ALA A 52 -18.929 19.822 -0.978 1.00 -0.57 O HETATM 2294 OD2 ALA A 52 -20.343 18.645 -2.179 1.00 -0.57 O HETATM 2295 H20 ALA A 52 -22.075 20.355 -1.574 1.00 0.05 H HETATM 2296 H21 ALA A 52 -21.027 21.195 -0.382 1.00 0.05 H HETATM 2297 H19 ALA A 52 -21.569 22.733 -2.193 1.00 0.08 H HETATM 2298 H18 ALA A 52 -20.299 20.931 -4.200 1.00 0.19 H HETATM 2299 CB ALA A 52 -21.380 22.153 -6.813 1.00 -0.02 C HETATM 2300 H15 ALA A 52 -20.350 22.270 -6.445 1.00 0.03 H HETATM 2301 H16 ALA A 52 -21.883 23.131 -6.811 1.00 0.03 H HETATM 2302 H17 ALA A 52 -21.360 21.753 -7.838 1.00 0.03 H HETATM 2303 H14 ALA A 52 -21.635 20.212 -5.927 1.00 0.08 H HETATM 2304 H13 ALA A 52 -23.912 21.715 -6.975 1.00 0.19 H HETATM 2305 CB ALA A 52 -26.619 20.162 -5.405 1.00 0.08 C HETATM 2306 OG ALA A 52 -27.960 20.252 -5.849 1.00 -0.39 O HETATM 2307 H12 ALA A 52 -28.528 20.417 -5.106 1.00 0.21 H HETATM 2308 H10 ALA A 52 -26.341 21.109 -4.919 1.00 0.06 H HETATM 2309 H11 ALA A 52 -26.540 19.340 -4.678 1.00 0.06 H HETATM 2310 H9 ALA A 52 -25.773 20.683 -7.321 1.00 0.08 H HETATM 2311 H8 ALA A 52 -26.250 17.845 -6.636 1.00 0.19 H HETATM 2312 CB ALA A 52 -25.061 15.999 -8.496 1.00 -0.00 C HETATM 2313 H5 ALA A 52 -25.085 16.015 -7.396 1.00 0.03 H HETATM 2314 H6 ALA A 52 -24.050 16.257 -8.844 1.00 0.03 H HETATM 2315 H7 ALA A 52 -25.326 14.993 -8.854 1.00 0.03 H HETATM 2316 H4 ALA A 52 -27.074 16.736 -8.709 1.00 0.11 H HETATM 2317 H1 ALA A 52 -26.250 16.070 -10.867 1.00 0.20 H HETATM 2318 H2 ALA A 52 -25.117 17.264 -10.859 1.00 0.20 H HETATM 2319 H3 ALA A 52 -26.718 17.647 -10.896 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 273 272 277 2162 2163 CONECT 326 324 2162 CONECT 515 516 526 527 528 CONECT 526 515 CONECT 527 515 CONECT 528 515 CONECT 1031 1032 1039 1040 1041 CONECT 1039 1031 CONECT 1040 1031 CONECT 1041 1031 CONECT 1300 1299 2164 CONECT 2078 2076 2164 CONECT 2162 273 326 CONECT 2163 273 CONECT 2164 1300 2078 CONECT 2213 2214 2317 2318 2319 CONECT 2214 2213 2215 2312 2316 CONECT 2215 2214 2216 2217 CONECT 2216 2215 CONECT 2217 2215 2218 2311 CONECT 2218 2217 2219 2305 2310 CONECT 2219 2218 2220 2221 CONECT 2220 2219 CONECT 2221 2219 2222 2304 CONECT 2222 2221 2223 2299 2303 CONECT 2223 2222 2224 2225 CONECT 2224 2223 CONECT 2225 2223 2226 2298 CONECT 2226 2225 2227 2291 2297 CONECT 2227 2226 2228 2229 CONECT 2228 2227 CONECT 2229 2227 2230 2290 CONECT 2230 2229 2231 2284 2289 CONECT 2231 2230 2232 2233 CONECT 2232 2231 CONECT 2233 2231 2234 2283 CONECT 2234 2233 2235 2274 2282 CONECT 2235 2234 2236 2237 CONECT 2236 2235 CONECT 2237 2235 2238 2273 CONECT 2238 2237 2239 2264 2272 CONECT 2239 2238 2240 2241 CONECT 2240 2239 CONECT 2241 2239 2242 2263 CONECT 2242 2241 2243 2253 2262 CONECT 2243 2242 2244 2245 CONECT 2244 2243 CONECT 2245 2243 2246 2252 CONECT 2246 2245 2247 2250 2251 CONECT 2247 2246 2248 2249 CONECT 2248 2247 CONECT 2249 2247 CONECT 2250 2246 CONECT 2251 2246 CONECT 2252 2245 CONECT 2253 2242 2254 2260 2261 CONECT 2254 2253 2255 2258 2259 CONECT 2255 2254 2256 2257 CONECT 2256 2255 CONECT 2257 2255 CONECT 2258 2254 CONECT 2259 2254 CONECT 2260 2253 CONECT 2261 2253 CONECT 2262 2242 CONECT 2263 2241 CONECT 2264 2238 2265 2267 2271 CONECT 2265 2264 2266 CONECT 2266 2265 CONECT 2267 2264 2268 2269 2270 CONECT 2268 2267 CONECT 2269 2267 CONECT 2270 2267 CONECT 2271 2264 CONECT 2272 2238 CONECT 2273 2237 CONECT 2274 2234 2275 2277 2281 CONECT 2275 2274 2276 CONECT 2276 2275 CONECT 2277 2274 2278 2279 2280 CONECT 2278 2277 CONECT 2279 2277 CONECT 2280 2277 CONECT 2281 2274 CONECT 2282 2234 CONECT 2283 2233 CONECT 2284 2230 2285 2287 2288 CONECT 2285 2284 2286 CONECT 2286 2285 CONECT 2287 2284 CONECT 2288 2284 CONECT 2289 2230 CONECT 2290 2229 CONECT 2291 2226 2292 2295 2296 CONECT 2292 2291 2293 2294 CONECT 2293 2292 CONECT 2294 2292 CONECT 2295 2291 CONECT 2296 2291 CONECT 2297 2226 CONECT 2298 2225 CONECT 2299 2222 2300 2301 2302 CONECT 2300 2299 CONECT 2301 2299 CONECT 2302 2299 CONECT 2303 2222 CONECT 2304 2221 CONECT 2305 2218 2306 2308 2309 CONECT 2306 2305 2307 CONECT 2307 2306 CONECT 2308 2305 CONECT 2309 2305 CONECT 2310 2218 CONECT 2311 2217 CONECT 2312 2214 2313 2314 2315 CONECT 2313 2312 CONECT 2314 2312 CONECT 2315 2312 CONECT 2316 2214 CONECT 2317 2213 CONECT 2318 2213 CONECT 2319 2213 MASTER 0 0 0 0 0 0 0 0 2316 3 126 12 END
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Entry Information
PDB ID
3hqh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Speckle-type POZ protein MATHx
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=63.6uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Mol.Cell Vol. 36: pp. 39-50
Ligand Properties
Formula
C
3
1
H
5
2
N
9
O
1
7
Molecular Weight
822.795
Exact Mass
822.348
No. of atoms
109
No. of bonds
108
Polar Surface Area
433.03
LOGP Value
-7.32 (
Computed with XLOGP3
)
-6.44 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 26
No. of Rings: 0
Canonical SMILES
O=CCNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CO)C)CC(=O)O)CO)CCC(=O)O
InChI String
InChI=1S/C31H51N9O17/c1-12(32)24(50)37-18(10-42)28(54)34-13(2)25(51)36-17(9-21(48)49)27(53)38-19(11-43)29(55)39-23(15(4)45)31(57)40-22(14(3)44)30(56)35-16(5-6-20(46)47)26(52)33-7-8-41/h8,12-19,22-23,42-45H,5-7,9-11,32H2,1-4H3,(H,33,52)(H,34,54)(H,35,56)(H,36,51)(H,37,50)(H,38,53)(H,39,55)(H,40,57)(H,46,47)(H,48,49)/p+1/t12-,13-,14+,15+,16-,17-,18-,19-,22-,23-/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):
O75367
O43791
Entrez Gene ID
NCBI Entrez Gene ID:
9555
8405
ASD
Information of known allosteric effects of PDB entries
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