Browse entries in the PDBbind-CN Database
HEADER 5I2F_COMPLEX COMPND 5I2F_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 116 ALA ARG PRO GLY GLY ASP THR ILE PHE GLY LYS ILE ILE SEQRES 2 A 116 ARG LYS GLU ILE PRO ALA LYS ILE ILE PHE GLU ASP ASP SEQRES 3 A 116 ARG CYS LEU ALA PHE HIS ASP ILE SER PRO GLN ALA PRO SEQRES 4 A 116 THR HIS PHE LEU VAL ILE PRO LYS LYS HIS ILE SER GLN SEQRES 5 A 116 ILE SER VAL ALA GLU ASP ASP ASP GLU SER LEU LEU GLY SEQRES 6 A 116 HIS LEU MET ILE VAL GLY LYS LYS CYS ALA ALA ASP LEU SEQRES 7 A 116 GLY LEU ASN LYS GLY TYR ARG MET VAL VAL ASN GLU GLY SEQRES 8 A 116 SER ASP GLY GLY GLN SER VAL TYR HIS VAL HIS LEU HIS SEQRES 9 A 116 VAL LEU GLY GLY ARG GLN MET HIS TRP PRO PRO GLY SEQRES 1 B 112 GLY ASP THR ILE PHE GLY LYS ILE ILE ARG LYS GLU ILE SEQRES 2 B 112 PRO ALA LYS ILE ILE PHE GLU ASP ASP ARG CYS LEU ALA SEQRES 3 B 112 PHE HIS ASP ILE SER PRO GLN ALA PRO THR HIS PHE LEU SEQRES 4 B 112 VAL ILE PRO LYS LYS HIS ILE SER GLN ILE SER VAL ALA SEQRES 5 B 112 GLU ASP ASP ASP GLU SER LEU LEU GLY HIS LEU MET ILE SEQRES 6 B 112 VAL GLY LYS LYS CYS ALA ALA ASP LEU GLY LEU ASN LYS SEQRES 7 B 112 GLY TYR ARG MET VAL VAL ASN GLU GLY SER ASP GLY GLY SEQRES 8 B 112 GLN SER VAL TYR HIS VAL HIS LEU HIS VAL LEU GLY GLY SEQRES 9 B 112 ARG GLN MET HIS TRP PRO PRO GLY HET BS A 5 43 ATOM 1 N ALA A 11 -35.271 -15.606 -37.033 1.00 48.69 N ATOM 2 CA ALA A 11 -34.669 -14.900 -35.908 1.00 50.37 C ATOM 3 C ALA A 11 -33.183 -14.645 -36.151 1.00 47.08 C ATOM 4 O ALA A 11 -32.339 -15.478 -35.819 1.00 45.87 O ATOM 5 CB ALA A 11 -34.875 -15.681 -34.616 1.00 41.84 C ATOM 6 HN3 ALA A 11 -34.793 -16.520 -37.163 1.00 0.00 H ATOM 7 HN2 ALA A 11 -35.168 -15.034 -37.895 1.00 0.00 H ATOM 8 HN1 ALA A 11 -36.280 -15.766 -36.840 1.00 0.00 H ATOM 9 N ARG A 12 -32.876 -13.489 -36.737 1.00 44.50 N ATOM 10 CA ARG A 12 -31.497 -13.136 -37.034 1.00 33.25 C ATOM 11 C ARG A 12 -30.724 -12.891 -35.738 1.00 29.12 C ATOM 12 O ARG A 12 -31.281 -12.385 -34.760 1.00 26.01 O ATOM 13 CB ARG A 12 -31.457 -11.879 -37.898 1.00 32.10 C ATOM 14 CG ARG A 12 -31.845 -12.102 -39.354 1.00 32.89 C ATOM 15 CD ARG A 12 -32.418 -10.838 -39.976 1.00 32.33 C ATOM 16 NE ARG A 12 -33.731 -10.528 -39.415 1.00 35.39 N ATOM 17 CZ ARG A 12 -34.884 -10.805 -40.016 1.00 34.54 C ATOM 18 NH1 ARG A 12 -34.894 -11.388 -41.207 1.00 34.43 N ATOM 19 NH2 ARG A 12 -36.030 -10.500 -39.425 1.00 29.46 N ATOM 20 HE ARG A 12 -33.766 -10.061 -38.486 1.00 0.00 H ATOM 21 HH12 ARG A 12 -35.798 -11.603 -41.673 1.00 0.00 H ATOM 22 HH11 ARG A 12 -33.997 -11.630 -41.675 1.00 0.00 H ATOM 23 HH22 ARG A 12 -36.932 -10.717 -39.896 1.00 0.00 H ATOM 24 HH21 ARG A 12 -36.028 -10.044 -38.490 1.00 0.00 H ATOM 25 H ARG A 12 -33.637 -12.826 -36.987 1.00 0.00 H ATOM 26 N PRO A 13 -29.439 -13.247 -35.703 1.00 22.12 N ATOM 27 CA PRO A 13 -28.665 -13.075 -34.466 1.00 18.89 C ATOM 28 C PRO A 13 -28.530 -11.606 -34.094 1.00 19.52 C ATOM 29 O PRO A 13 -28.099 -10.777 -34.898 1.00 18.40 O ATOM 30 CB PRO A 13 -27.308 -13.702 -34.806 1.00 24.92 C ATOM 31 CG PRO A 13 -27.223 -13.628 -36.294 1.00 24.47 C ATOM 32 CD PRO A 13 -28.626 -13.811 -36.793 1.00 27.36 C ATOM 33 N GLY A 14 -28.896 -11.291 -32.855 1.00 18.11 N ATOM 34 CA GLY A 14 -28.929 -9.940 -32.360 1.00 16.42 C ATOM 35 C GLY A 14 -30.312 -9.322 -32.330 1.00 12.74 C ATOM 36 O GLY A 14 -30.509 -8.323 -31.635 1.00 13.97 O ATOM 37 H GLY A 14 -29.172 -12.060 -32.211 1.00 0.00 H ATOM 38 N GLY A 15 -31.267 -9.891 -33.060 1.00 13.13 N ATOM 39 CA GLY A 15 -32.617 -9.348 -33.108 1.00 13.24 C ATOM 40 C GLY A 15 -32.746 -8.177 -34.067 1.00 10.27 C ATOM 41 O GLY A 15 -31.822 -7.831 -34.799 1.00 11.14 O ATOM 42 H GLY A 15 -31.044 -10.745 -33.610 1.00 0.00 H ATOM 43 N ASP A 16 -33.930 -7.557 -34.056 1.00 11.51 N ATOM 44 CA ASP A 16 -34.265 -6.535 -35.040 1.00 11.11 C ATOM 45 C ASP A 16 -34.466 -5.147 -34.447 1.00 9.69 C ATOM 46 O ASP A 16 -34.936 -4.254 -35.163 1.00 10.67 O ATOM 47 CB ASP A 16 -35.469 -6.958 -35.889 1.00 12.95 C ATOM 48 CG ASP A 16 -35.134 -8.085 -36.846 1.00 13.93 C ATOM 49 OD1 ASP A 16 -34.008 -8.097 -37.384 1.00 15.40 O ATOM 50 OD2 ASP A 16 -35.998 -8.957 -37.060 1.00 13.43 O ATOM 51 H ASP A 16 -34.629 -7.810 -33.328 1.00 0.00 H ATOM 52 N THR A 17 -34.106 -4.930 -33.178 1.00 9.32 N ATOM 53 CA THR A 17 -33.958 -3.552 -32.750 1.00 9.43 C ATOM 54 C THR A 17 -32.865 -2.905 -33.587 1.00 9.45 C ATOM 55 O THR A 17 -32.088 -3.572 -34.270 1.00 9.84 O ATOM 56 CB THR A 17 -33.550 -3.431 -31.273 1.00 10.20 C ATOM 57 OG1 THR A 17 -32.208 -3.907 -31.079 1.00 11.70 O ATOM 58 CG2 THR A 17 -34.524 -4.141 -30.342 1.00 13.45 C ATOM 59 HG1 THR A 17 -32.154 -4.857 -31.351 1.00 0.00 H ATOM 60 H THR A 17 -33.938 -5.720 -32.522 1.00 0.00 H ATOM 61 N ILE A 18 -32.808 -1.581 -33.520 1.00 9.72 N ATOM 62 CA ILE A 18 -31.764 -0.879 -34.256 1.00 11.73 C ATOM 63 C ILE A 18 -30.382 -1.382 -33.858 1.00 9.45 C ATOM 64 O ILE A 18 -29.470 -1.415 -34.690 1.00 10.75 O ATOM 65 CB ILE A 18 -31.899 0.650 -34.120 1.00 12.46 C ATOM 66 CG1 ILE A 18 -31.948 1.063 -32.646 1.00 10.28 C ATOM 67 CG2 ILE A 18 -33.113 1.147 -34.909 1.00 16.28 C ATOM 68 CD1 ILE A 18 -32.091 2.538 -32.434 1.00 19.78 C ATOM 69 H ILE A 18 -33.499 -1.052 -32.950 1.00 0.00 H ATOM 70 N PHE A 19 -30.204 -1.809 -32.604 1.00 10.04 N ATOM 71 CA PHE A 19 -28.901 -2.311 -32.178 1.00 9.87 C ATOM 72 C PHE A 19 -28.597 -3.667 -32.804 1.00 9.53 C ATOM 73 O PHE A 19 -27.453 -3.935 -33.191 1.00 10.22 O ATOM 74 CB PHE A 19 -28.815 -2.351 -30.650 1.00 10.83 C ATOM 75 CG PHE A 19 -28.865 -0.991 -29.999 1.00 9.79 C ATOM 76 CD1 PHE A 19 -28.735 0.173 -30.750 1.00 10.75 C ATOM 77 CD2 PHE A 19 -29.024 -0.878 -28.625 1.00 12.32 C ATOM 78 CE1 PHE A 19 -28.782 1.420 -30.141 1.00 12.81 C ATOM 79 CE2 PHE A 19 -29.072 0.369 -28.015 1.00 11.93 C ATOM 80 CZ PHE A 19 -28.949 1.511 -28.770 1.00 12.68 C ATOM 81 H PHE A 19 -30.996 -1.784 -31.930 1.00 0.00 H ATOM 82 N GLY A 20 -29.607 -4.527 -32.942 1.00 9.70 N ATOM 83 CA GLY A 20 -29.398 -5.766 -33.677 1.00 11.49 C ATOM 84 C GLY A 20 -29.038 -5.521 -35.131 1.00 10.93 C ATOM 85 O GLY A 20 -28.165 -6.192 -35.692 1.00 13.00 O ATOM 86 H GLY A 20 -30.537 -4.314 -32.528 1.00 0.00 H ATOM 87 N LYS A 21 -29.699 -4.544 -35.758 1.00 11.45 N ATOM 88 CA LYS A 21 -29.380 -4.174 -37.135 1.00 12.29 C ATOM 89 C LYS A 21 -27.954 -3.654 -37.255 1.00 11.56 C ATOM 90 O LYS A 21 -27.260 -3.942 -38.239 1.00 13.01 O ATOM 91 CB LYS A 21 -30.352 -3.102 -37.630 1.00 13.59 C ATOM 92 CG LYS A 21 -31.833 -3.443 -37.512 1.00 19.13 C ATOM 93 CD LYS A 21 -32.295 -4.384 -38.611 1.00 19.51 C ATOM 94 CE LYS A 21 -32.202 -3.751 -39.998 1.00 16.68 C ATOM 95 NZ LYS A 21 -32.492 -4.784 -41.013 1.00 16.04 N ATOM 96 HZ1 LYS A 21 -31.799 -5.555 -40.929 1.00 0.00 H ATOM 97 HZ2 LYS A 21 -33.450 -5.160 -40.860 1.00 0.00 H ATOM 98 HZ3 LYS A 21 -32.431 -4.363 -41.962 1.00 0.00 H ATOM 99 H LYS A 21 -30.456 -4.037 -35.256 1.00 0.00 H ATOM 100 N ILE A 22 -27.511 -2.862 -36.276 1.00 10.55 N ATOM 101 CA ILE A 22 -26.141 -2.356 -36.282 1.00 11.25 C ATOM 102 C ILE A 22 -25.143 -3.501 -36.168 1.00 11.01 C ATOM 103 O ILE A 22 -24.125 -3.530 -36.876 1.00 11.84 O ATOM 104 CB ILE A 22 -25.967 -1.307 -35.170 1.00 10.86 C ATOM 105 CG1 ILE A 22 -26.685 -0.018 -35.571 1.00 11.39 C ATOM 106 CG2 ILE A 22 -24.492 -1.067 -34.869 1.00 12.20 C ATOM 107 CD1 ILE A 22 -26.692 1.041 -34.496 1.00 12.55 C ATOM 108 H ILE A 22 -28.150 -2.602 -35.498 1.00 0.00 H ATOM 109 N ILE A 23 -25.422 -4.464 -35.282 1.00 10.65 N ATOM 110 CA ILE A 23 -24.549 -5.627 -35.112 1.00 11.81 C ATOM 111 C ILE A 23 -24.302 -6.319 -36.446 1.00 13.07 C ATOM 112 O ILE A 23 -23.170 -6.706 -36.764 1.00 13.68 O ATOM 113 CB ILE A 23 -25.136 -6.600 -34.068 1.00 10.17 C ATOM 114 CG1 ILE A 23 -25.011 -6.019 -32.660 1.00 11.63 C ATOM 115 CG2 ILE A 23 -24.461 -7.974 -34.156 1.00 13.77 C ATOM 116 CD1 ILE A 23 -25.977 -6.605 -31.664 1.00 12.19 C ATOM 117 H ILE A 23 -26.280 -4.384 -34.700 1.00 0.00 H ATOM 118 N ARG A 24 -25.353 -6.483 -37.246 1.00 11.89 N ATOM 119 CA ARG A 24 -25.262 -7.198 -38.513 1.00 11.34 C ATOM 120 C ARG A 24 -24.880 -6.295 -39.681 1.00 12.42 C ATOM 121 O ARG A 24 -24.926 -6.745 -40.834 1.00 13.12 O ATOM 122 CB ARG A 24 -26.557 -7.965 -38.791 1.00 14.35 C ATOM 123 CG ARG A 24 -26.814 -9.090 -37.785 1.00 12.13 C ATOM 124 CD ARG A 24 -27.977 -9.977 -38.219 1.00 12.96 C ATOM 125 NE ARG A 24 -29.158 -9.173 -38.519 1.00 12.98 N ATOM 126 CZ ARG A 24 -30.050 -8.779 -37.613 1.00 12.89 C ATOM 127 NH1 ARG A 24 -29.909 -9.133 -36.342 1.00 13.60 N ATOM 128 NH2 ARG A 24 -31.081 -8.026 -37.974 1.00 14.27 N ATOM 129 HE ARG A 24 -29.313 -8.889 -39.507 1.00 0.00 H ATOM 130 HH12 ARG A 24 -30.607 -8.824 -35.636 1.00 0.00 H ATOM 131 HH11 ARG A 24 -29.100 -9.719 -36.052 1.00 0.00 H ATOM 132 HH22 ARG A 24 -31.776 -7.720 -37.263 1.00 0.00 H ATOM 133 HH21 ARG A 24 -31.194 -7.742 -38.968 1.00 0.00 H ATOM 134 H ARG A 24 -26.271 -6.088 -36.957 1.00 0.00 H ATOM 135 N LYS A 25 -24.485 -5.051 -39.414 1.00 11.94 N ATOM 136 CA LYS A 25 -24.046 -4.111 -40.443 1.00 13.05 C ATOM 137 C LYS A 25 -25.157 -3.780 -41.434 1.00 15.11 C ATOM 138 O LYS A 25 -24.889 -3.469 -42.595 1.00 14.55 O ATOM 139 CB LYS A 25 -22.793 -4.585 -41.192 1.00 16.92 C ATOM 140 CG LYS A 25 -21.726 -5.256 -40.346 1.00 17.20 C ATOM 141 CD LYS A 25 -21.039 -4.315 -39.401 1.00 20.06 C ATOM 142 CE LYS A 25 -19.934 -5.053 -38.661 1.00 19.50 C ATOM 143 NZ LYS A 25 -19.229 -4.161 -37.727 1.00 20.46 N ATOM 144 HZ1 LYS A 25 -18.805 -3.373 -38.256 1.00 0.00 H ATOM 145 HZ2 LYS A 25 -19.904 -3.788 -37.029 1.00 0.00 H ATOM 146 HZ3 LYS A 25 -18.482 -4.694 -37.238 1.00 0.00 H ATOM 147 H LYS A 25 -24.489 -4.733 -38.424 1.00 0.00 H ATOM 148 N GLU A 26 -26.409 -3.853 -40.991 1.00 13.19 N ATOM 149 CA GLU A 26 -27.546 -3.545 -41.850 1.00 13.65 C ATOM 150 C GLU A 26 -27.946 -2.079 -41.799 1.00 13.81 C ATOM 151 O GLU A 26 -28.594 -1.590 -42.732 1.00 16.94 O ATOM 152 CB GLU A 26 -28.731 -4.448 -41.491 1.00 13.55 C ATOM 153 CG GLU A 26 -28.414 -5.915 -41.739 1.00 13.75 C ATOM 154 CD GLU A 26 -29.368 -6.869 -41.052 1.00 13.08 C ATOM 155 OE1 GLU A 26 -30.312 -6.403 -40.374 1.00 15.70 O ATOM 156 OE2 GLU A 26 -29.161 -8.095 -41.166 1.00 13.76 O ATOM 157 H GLU A 26 -26.581 -4.137 -40.006 1.00 0.00 H ATOM 158 N ILE A 27 -27.591 -1.371 -40.733 1.00 14.58 N ATOM 159 CA ILE A 27 -27.675 0.085 -40.724 1.00 16.84 C ATOM 160 C ILE A 27 -26.337 0.623 -40.226 1.00 14.40 C ATOM 161 O ILE A 27 -25.662 -0.036 -39.424 1.00 15.88 O ATOM 162 CB ILE A 27 -28.876 0.599 -39.915 1.00 21.83 C ATOM 163 CG1 ILE A 27 -28.695 0.290 -38.444 1.00 18.62 C ATOM 164 CG2 ILE A 27 -30.188 0.002 -40.421 1.00 22.83 C ATOM 165 CD1 ILE A 27 -29.859 0.739 -37.615 1.00 19.68 C ATOM 166 H ILE A 27 -27.245 -1.866 -39.886 1.00 0.00 H ATOM 167 N PRO A 28 -25.907 1.790 -40.692 1.00 18.86 N ATOM 168 CA PRO A 28 -24.542 2.233 -40.405 1.00 18.55 C ATOM 169 C PRO A 28 -24.378 2.704 -38.972 1.00 16.41 C ATOM 170 O PRO A 28 -25.322 3.150 -38.314 1.00 17.78 O ATOM 171 CB PRO A 28 -24.334 3.390 -41.387 1.00 23.07 C ATOM 172 CG PRO A 28 -25.713 3.911 -41.643 1.00 24.93 C ATOM 173 CD PRO A 28 -26.609 2.706 -41.609 1.00 22.29 C ATOM 174 N ALA A 29 -23.145 2.590 -38.495 1.00 14.74 N ATOM 175 CA ALA A 29 -22.771 3.084 -37.183 1.00 12.54 C ATOM 176 C ALA A 29 -21.297 3.437 -37.226 1.00 12.68 C ATOM 177 O ALA A 29 -20.549 2.959 -38.082 1.00 13.46 O ATOM 178 CB ALA A 29 -23.062 2.046 -36.095 1.00 13.39 C ATOM 179 H ALA A 29 -22.421 2.130 -39.083 1.00 0.00 H ATOM 180 N LYS A 30 -20.889 4.305 -36.308 1.00 11.32 N ATOM 181 CA LYS A 30 -19.486 4.683 -36.174 1.00 11.49 C ATOM 182 C LYS A 30 -18.889 3.787 -35.100 1.00 9.29 C ATOM 183 O LYS A 30 -19.021 4.049 -33.901 1.00 9.72 O ATOM 184 CB LYS A 30 -19.364 6.161 -35.831 1.00 11.22 C ATOM 185 CG LYS A 30 -19.914 7.077 -36.915 1.00 15.13 C ATOM 186 CD LYS A 30 -19.180 6.884 -38.230 1.00 16.79 C ATOM 187 CE LYS A 30 -19.809 7.707 -39.344 1.00 29.35 C ATOM 188 NZ LYS A 30 -19.121 7.480 -40.647 1.00 34.07 N ATOM 189 HZ1 LYS A 30 -18.121 7.751 -40.561 1.00 0.00 H ATOM 190 HZ2 LYS A 30 -19.188 6.474 -40.902 1.00 0.00 H ATOM 191 HZ3 LYS A 30 -19.576 8.057 -41.383 1.00 0.00 H ATOM 192 H LYS A 30 -21.589 4.728 -35.666 1.00 0.00 H ATOM 193 N ILE A 31 -18.259 2.706 -35.533 1.00 10.59 N ATOM 194 CA ILE A 31 -17.838 1.639 -34.635 1.00 10.02 C ATOM 195 C ILE A 31 -16.451 1.944 -34.088 1.00 11.80 C ATOM 196 O ILE A 31 -15.545 2.342 -34.835 1.00 15.48 O ATOM 197 CB ILE A 31 -17.886 0.281 -35.353 1.00 12.87 C ATOM 198 CG1 ILE A 31 -19.346 -0.051 -35.666 1.00 13.10 C ATOM 199 CG2 ILE A 31 -17.270 -0.805 -34.479 1.00 13.87 C ATOM 200 CD1 ILE A 31 -19.539 -1.176 -36.659 1.00 17.27 C ATOM 201 H ILE A 31 -18.058 2.615 -36.549 1.00 0.00 H ATOM 202 N ILE A 32 -16.298 1.775 -32.779 1.00 10.50 N ATOM 203 CA ILE A 32 -15.041 1.991 -32.079 1.00 11.06 C ATOM 204 C ILE A 32 -14.275 0.691 -31.899 1.00 13.02 C ATOM 205 O ILE A 32 -13.051 0.661 -32.032 1.00 14.14 O ATOM 206 CB ILE A 32 -15.350 2.621 -30.702 1.00 11.35 C ATOM 207 CG1 ILE A 32 -16.057 3.968 -30.859 1.00 10.56 C ATOM 208 CG2 ILE A 32 -14.087 2.725 -29.840 1.00 12.63 C ATOM 209 CD1 ILE A 32 -16.918 4.322 -29.670 1.00 11.05 C ATOM 210 H ILE A 32 -17.123 1.471 -32.224 1.00 0.00 H ATOM 211 N PHE A 33 -14.989 -0.377 -31.555 1.00 12.25 N ATOM 212 CA PHE A 33 -14.382 -1.647 -31.194 1.00 12.37 C ATOM 213 C PHE A 33 -15.406 -2.743 -31.436 1.00 10.64 C ATOM 214 O PHE A 33 -16.606 -2.541 -31.228 1.00 10.84 O ATOM 215 CB PHE A 33 -13.954 -1.662 -29.723 1.00 13.63 C ATOM 216 CG PHE A 33 -13.452 -3.002 -29.269 1.00 13.71 C ATOM 217 CD1 PHE A 33 -14.278 -3.873 -28.576 1.00 12.95 C ATOM 218 CD2 PHE A 33 -12.169 -3.415 -29.592 1.00 20.31 C ATOM 219 CE1 PHE A 33 -13.818 -5.124 -28.175 1.00 15.86 C ATOM 220 CE2 PHE A 33 -11.703 -4.662 -29.201 1.00 21.35 C ATOM 221 CZ PHE A 33 -12.527 -5.516 -28.490 1.00 18.11 C ATOM 222 H PHE A 33 -16.026 -0.300 -31.544 1.00 0.00 H ATOM 223 N GLU A 34 -14.930 -3.903 -31.877 1.00 10.79 N ATOM 224 CA GLU A 34 -15.801 -5.048 -32.066 1.00 9.68 C ATOM 225 C GLU A 34 -15.048 -6.313 -31.705 1.00 12.13 C ATOM 226 O GLU A 34 -13.885 -6.474 -32.080 1.00 12.13 O ATOM 227 CB GLU A 34 -16.266 -5.125 -33.522 1.00 11.66 C ATOM 228 CG GLU A 34 -17.159 -6.302 -33.809 1.00 11.55 C ATOM 229 CD GLU A 34 -17.909 -6.166 -35.116 1.00 12.33 C ATOM 230 OE1 GLU A 34 -17.694 -5.166 -35.846 1.00 14.17 O ATOM 231 OE2 GLU A 34 -18.712 -7.073 -35.403 1.00 12.61 O ATOM 232 H GLU A 34 -13.916 -3.991 -32.090 1.00 0.00 H ATOM 233 N ASP A 35 -15.704 -7.193 -30.956 1.00 8.93 N ATOM 234 CA ASP A 35 -15.191 -8.542 -30.757 1.00 10.22 C ATOM 235 C ASP A 35 -16.344 -9.527 -30.901 1.00 9.33 C ATOM 236 O ASP A 35 -17.447 -9.181 -31.327 1.00 10.59 O ATOM 237 CB ASP A 35 -14.348 -8.680 -29.475 1.00 11.17 C ATOM 238 CG ASP A 35 -15.162 -8.560 -28.184 1.00 10.74 C ATOM 239 OD1 ASP A 35 -16.394 -8.713 -28.185 1.00 9.77 O ATOM 240 OD2 ASP A 35 -14.530 -8.342 -27.129 1.00 13.19 O ATOM 241 H ASP A 35 -16.598 -6.914 -30.504 1.00 0.00 H ATOM 242 N ASP A 36 -16.081 -10.784 -30.555 1.00 10.06 N ATOM 243 CA ASP A 36 -17.086 -11.826 -30.730 1.00 10.76 C ATOM 244 C ASP A 36 -18.264 -11.673 -29.773 1.00 10.47 C ATOM 245 O ASP A 36 -19.330 -12.244 -30.021 1.00 11.55 O ATOM 246 CB ASP A 36 -16.448 -13.194 -30.496 1.00 11.48 C ATOM 247 CG ASP A 36 -15.846 -13.309 -29.123 1.00 12.94 C ATOM 248 OD1 ASP A 36 -14.791 -12.683 -28.898 1.00 16.92 O ATOM 249 OD2 ASP A 36 -16.428 -14.018 -28.282 1.00 13.66 O ATOM 250 H ASP A 36 -15.151 -11.026 -30.157 1.00 0.00 H ATOM 251 N ARG A 37 -18.105 -10.913 -28.687 1.00 9.26 N ATOM 252 CA ARG A 37 -19.160 -10.776 -27.692 1.00 9.03 C ATOM 253 C ARG A 37 -19.889 -9.442 -27.733 1.00 8.55 C ATOM 254 O ARG A 37 -21.013 -9.362 -27.230 1.00 9.07 O ATOM 255 CB ARG A 37 -18.592 -10.965 -26.276 1.00 9.33 C ATOM 256 CG ARG A 37 -18.409 -12.422 -25.857 1.00 11.60 C ATOM 257 CD ARG A 37 -17.135 -12.599 -25.043 1.00 12.40 C ATOM 258 NE ARG A 37 -15.955 -12.503 -25.891 1.00 12.90 N ATOM 259 CZ ARG A 37 -14.741 -12.189 -25.460 1.00 13.91 C ATOM 260 NH1 ARG A 37 -14.539 -11.923 -24.176 1.00 17.26 N ATOM 261 NH2 ARG A 37 -13.729 -12.130 -26.315 1.00 16.80 N ATOM 262 HE ARG A 37 -16.073 -12.694 -26.906 1.00 0.00 H ATOM 263 HH12 ARG A 37 -13.586 -11.677 -23.840 1.00 0.00 H ATOM 264 HH11 ARG A 37 -15.333 -11.961 -23.506 1.00 0.00 H ATOM 265 HH22 ARG A 37 -12.777 -11.884 -25.977 1.00 0.00 H ATOM 266 HH21 ARG A 37 -13.888 -12.330 -27.323 1.00 0.00 H ATOM 267 H ARG A 37 -17.207 -10.407 -28.548 1.00 0.00 H ATOM 268 N CYS A 38 -19.286 -8.396 -28.287 1.00 8.84 N ATOM 269 CA CYS A 38 -19.859 -7.067 -28.128 1.00 8.51 C ATOM 270 C CYS A 38 -19.364 -6.128 -29.209 1.00 8.76 C ATOM 271 O CYS A 38 -18.460 -6.438 -29.990 1.00 9.38 O ATOM 272 CB CYS A 38 -19.554 -6.495 -26.740 1.00 9.59 C ATOM 273 SG CYS A 38 -17.846 -5.985 -26.509 1.00 10.88 S ATOM 274 H CYS A 38 -18.409 -8.526 -28.831 1.00 0.00 H ATOM 275 N LEU A 39 -19.962 -4.943 -29.198 1.00 9.08 N ATOM 276 CA LEU A 39 -19.683 -3.892 -30.151 1.00 9.21 C ATOM 277 C LEU A 39 -19.799 -2.562 -29.423 1.00 8.42 C ATOM 278 O LEU A 39 -20.723 -2.374 -28.633 1.00 8.65 O ATOM 279 CB LEU A 39 -20.761 -3.934 -31.237 1.00 13.85 C ATOM 280 CG LEU A 39 -20.620 -3.017 -32.438 1.00 13.07 C ATOM 281 CD1 LEU A 39 -19.483 -3.495 -33.315 1.00 17.90 C ATOM 282 CD2 LEU A 39 -21.917 -2.936 -33.230 1.00 17.59 C ATOM 283 H LEU A 39 -20.673 -4.760 -28.461 1.00 0.00 H ATOM 284 N ALA A 40 -18.865 -1.653 -29.683 1.00 8.80 N ATOM 285 CA ALA A 40 -18.914 -0.298 -29.144 1.00 9.00 C ATOM 286 C ALA A 40 -19.010 0.684 -30.304 1.00 8.33 C ATOM 287 O ALA A 40 -18.254 0.569 -31.277 1.00 9.51 O ATOM 288 CB ALA A 40 -17.669 -0.002 -28.309 1.00 9.61 C ATOM 289 H ALA A 40 -18.067 -1.918 -30.295 1.00 0.00 H ATOM 290 N PHE A 41 -19.931 1.643 -30.209 1.00 7.72 N ATOM 291 CA PHE A 41 -20.152 2.582 -31.301 1.00 7.38 C ATOM 292 C PHE A 41 -20.686 3.880 -30.718 1.00 7.48 C ATOM 293 O PHE A 41 -21.262 3.903 -29.629 1.00 8.17 O ATOM 294 CB PHE A 41 -21.117 2.017 -32.359 1.00 9.22 C ATOM 295 CG PHE A 41 -22.453 1.632 -31.813 1.00 9.34 C ATOM 296 CD1 PHE A 41 -23.535 2.488 -31.892 1.00 11.36 C ATOM 297 CD2 PHE A 41 -22.622 0.398 -31.201 1.00 13.51 C ATOM 298 CE1 PHE A 41 -24.771 2.109 -31.373 1.00 13.71 C ATOM 299 CE2 PHE A 41 -23.844 0.021 -30.683 1.00 15.77 C ATOM 300 CZ PHE A 41 -24.914 0.868 -30.768 1.00 13.82 C ATOM 301 H PHE A 41 -20.500 1.722 -29.342 1.00 0.00 H ATOM 302 N HIS A 42 -20.531 4.962 -31.474 1.00 7.99 N ATOM 303 CA HIS A 42 -20.888 6.286 -30.978 1.00 7.54 C ATOM 304 C HIS A 42 -22.395 6.500 -30.991 1.00 8.38 C ATOM 305 O HIS A 42 -23.088 6.072 -31.917 1.00 9.50 O ATOM 306 CB HIS A 42 -20.184 7.356 -31.807 1.00 8.44 C ATOM 307 CG HIS A 42 -18.709 7.385 -31.588 1.00 9.02 C ATOM 308 ND1 HIS A 42 -18.128 8.044 -30.525 1.00 9.13 N ATOM 309 CD2 HIS A 42 -17.696 6.803 -32.270 1.00 9.53 C ATOM 310 CE1 HIS A 42 -16.818 7.884 -30.577 1.00 9.81 C ATOM 311 NE2 HIS A 42 -16.530 7.136 -31.626 1.00 10.88 N ATOM 312 H HIS A 42 -20.148 4.863 -32.436 1.00 0.00 H ATOM 313 N ASP A 43 -22.903 7.175 -29.961 1.00 8.48 N ATOM 314 CA ASP A 43 -24.325 7.486 -29.873 1.00 9.28 C ATOM 315 C ASP A 43 -24.689 8.587 -30.871 1.00 10.67 C ATOM 316 O ASP A 43 -23.974 9.580 -31.011 1.00 12.48 O ATOM 317 CB ASP A 43 -24.640 7.957 -28.450 1.00 10.44 C ATOM 318 CG ASP A 43 -26.109 7.883 -28.109 1.00 12.03 C ATOM 319 OD1 ASP A 43 -26.910 8.643 -28.691 1.00 13.06 O ATOM 320 OD2 ASP A 43 -26.464 7.090 -27.211 1.00 13.11 O ATOM 321 H ASP A 43 -22.268 7.489 -29.199 1.00 0.00 H ATOM 322 N ILE A 44 -25.833 8.421 -31.542 1.00 11.00 N ATOM 323 CA ILE A 44 -26.267 9.395 -32.542 1.00 13.06 C ATOM 324 C ILE A 44 -26.801 10.680 -31.916 1.00 11.61 C ATOM 325 O ILE A 44 -26.897 11.712 -32.599 1.00 14.14 O ATOM 326 CB ILE A 44 -27.304 8.745 -33.482 1.00 15.24 C ATOM 327 CG1 ILE A 44 -27.456 9.535 -34.783 1.00 22.68 C ATOM 328 CG2 ILE A 44 -28.643 8.592 -32.776 1.00 16.87 C ATOM 329 CD1 ILE A 44 -28.348 8.846 -35.795 1.00 24.41 C ATOM 330 H ILE A 44 -26.423 7.587 -31.350 1.00 0.00 H ATOM 331 N SER A 45 -27.169 10.640 -30.636 1.00 12.79 N ATOM 332 CA SER A 45 -27.667 11.804 -29.905 1.00 12.42 C ATOM 333 C SER A 45 -26.786 12.013 -28.678 1.00 11.35 C ATOM 334 O SER A 45 -27.232 11.824 -27.537 1.00 12.04 O ATOM 335 CB SER A 45 -29.130 11.619 -29.511 1.00 13.57 C ATOM 336 OG SER A 45 -29.947 11.489 -30.663 1.00 14.74 O ATOM 337 HG SER A 45 -29.654 10.702 -31.187 1.00 0.00 H ATOM 338 H SER A 45 -27.098 9.734 -30.131 1.00 0.00 H ATOM 339 N PRO A 46 -25.532 12.399 -28.880 1.00 10.39 N ATOM 340 CA PRO A 46 -24.590 12.457 -27.751 1.00 10.95 C ATOM 341 C PRO A 46 -24.972 13.502 -26.716 1.00 11.09 C ATOM 342 O PRO A 46 -25.380 14.622 -27.038 1.00 12.54 O ATOM 343 CB PRO A 46 -23.257 12.807 -28.421 1.00 11.43 C ATOM 344 CG PRO A 46 -23.651 13.533 -29.672 1.00 13.07 C ATOM 345 CD PRO A 46 -24.901 12.824 -30.143 1.00 12.52 C ATOM 346 N GLN A 47 -24.806 13.122 -25.452 1.00 10.33 N ATOM 347 CA GLN A 47 -25.094 13.980 -24.312 1.00 11.30 C ATOM 348 C GLN A 47 -23.830 14.502 -23.655 1.00 9.73 C ATOM 349 O GLN A 47 -23.906 15.178 -22.619 1.00 11.53 O ATOM 350 CB GLN A 47 -25.927 13.220 -23.278 1.00 11.78 C ATOM 351 CG GLN A 47 -27.209 12.654 -23.843 1.00 13.97 C ATOM 352 CD GLN A 47 -28.166 13.725 -24.302 1.00 13.61 C ATOM 353 OE1 GLN A 47 -28.561 14.595 -23.523 1.00 15.45 O ATOM 354 NE2 GLN A 47 -28.561 13.669 -25.570 1.00 15.43 N ATOM 355 HE22 GLN A 47 -28.203 12.918 -26.194 1.00 0.00 H ATOM 356 HE21 GLN A 47 -29.228 14.377 -25.939 1.00 0.00 H ATOM 357 H GLN A 47 -24.452 12.161 -25.269 1.00 0.00 H ATOM 358 N ALA A 48 -22.675 14.215 -24.231 1.00 10.43 N ATOM 359 CA ALA A 48 -21.395 14.699 -23.748 1.00 9.04 C ATOM 360 C ALA A 48 -20.462 14.730 -24.944 1.00 10.30 C ATOM 361 O ALA A 48 -20.763 14.125 -25.984 1.00 10.33 O ATOM 362 CB ALA A 48 -20.838 13.790 -22.639 1.00 10.36 C ATOM 363 H ALA A 48 -22.684 13.609 -25.076 1.00 0.00 H ATOM 364 N PRO A 49 -19.335 15.427 -24.841 1.00 9.78 N ATOM 365 CA PRO A 49 -18.425 15.505 -25.993 1.00 10.15 C ATOM 366 C PRO A 49 -18.041 14.151 -26.553 1.00 10.20 C ATOM 367 O PRO A 49 -17.917 14.016 -27.782 1.00 10.67 O ATOM 368 CB PRO A 49 -17.243 16.313 -25.445 1.00 10.93 C ATOM 369 CG PRO A 49 -17.894 17.228 -24.435 1.00 12.37 C ATOM 370 CD PRO A 49 -18.944 16.362 -23.771 1.00 10.39 C ATOM 371 N THR A 50 -17.873 13.145 -25.695 1.00 8.80 N ATOM 372 CA THR A 50 -17.779 11.752 -26.105 1.00 8.85 C ATOM 373 C THR A 50 -18.933 10.993 -25.467 1.00 8.52 C ATOM 374 O THR A 50 -19.156 11.095 -24.252 1.00 8.99 O ATOM 375 CB THR A 50 -16.441 11.154 -25.682 1.00 10.58 C ATOM 376 OG1 THR A 50 -15.384 11.783 -26.422 1.00 14.44 O ATOM 377 CG2 THR A 50 -16.411 9.660 -25.979 1.00 13.93 C ATOM 378 HG1 THR A 50 -15.386 12.755 -26.236 1.00 0.00 H ATOM 379 H THR A 50 -17.806 13.367 -24.681 1.00 0.00 H ATOM 380 N HIS A 51 -19.676 10.251 -26.282 1.00 8.14 N ATOM 381 CA HIS A 51 -20.795 9.468 -25.767 1.00 8.50 C ATOM 382 C HIS A 51 -20.931 8.265 -26.682 1.00 7.76 C ATOM 383 O HIS A 51 -21.309 8.410 -27.854 1.00 7.80 O ATOM 384 CB HIS A 51 -22.068 10.312 -25.750 1.00 9.13 C ATOM 385 CG HIS A 51 -23.280 9.601 -25.227 1.00 8.19 C ATOM 386 ND1 HIS A 51 -24.493 10.237 -25.076 1.00 10.39 N ATOM 387 CD2 HIS A 51 -23.474 8.319 -24.824 1.00 8.25 C ATOM 388 CE1 HIS A 51 -25.382 9.378 -24.611 1.00 10.49 C ATOM 389 NE2 HIS A 51 -24.788 8.209 -24.441 1.00 8.91 N ATOM 390 H HIS A 51 -19.457 10.228 -27.299 1.00 0.00 H ATOM 391 N PHE A 52 -20.593 7.092 -26.166 1.00 7.34 N ATOM 392 CA PHE A 52 -20.698 5.879 -26.948 1.00 7.43 C ATOM 393 C PHE A 52 -21.472 4.828 -26.173 1.00 7.09 C ATOM 394 O PHE A 52 -21.779 4.989 -24.990 1.00 7.90 O ATOM 395 CB PHE A 52 -19.336 5.388 -27.454 1.00 8.13 C ATOM 396 CG PHE A 52 -18.370 4.955 -26.374 1.00 7.68 C ATOM 397 CD1 PHE A 52 -18.293 3.631 -25.973 1.00 7.94 C ATOM 398 CD2 PHE A 52 -17.498 5.861 -25.800 1.00 9.32 C ATOM 399 CE1 PHE A 52 -17.384 3.232 -25.002 1.00 8.84 C ATOM 400 CE2 PHE A 52 -16.587 5.460 -24.834 1.00 9.70 C ATOM 401 CZ PHE A 52 -16.534 4.145 -24.443 1.00 9.21 C ATOM 402 H PHE A 52 -20.248 7.043 -25.186 1.00 0.00 H ATOM 403 N LEU A 53 -21.810 3.754 -26.874 1.00 7.52 N ATOM 404 CA LEU A 53 -22.574 2.638 -26.340 1.00 7.82 C ATOM 405 C LEU A 53 -21.779 1.359 -26.521 1.00 6.97 C ATOM 406 O LEU A 53 -21.092 1.194 -27.533 1.00 8.54 O ATOM 407 CB LEU A 53 -23.867 2.486 -27.136 1.00 9.36 C ATOM 408 CG LEU A 53 -24.766 3.717 -27.132 1.00 9.96 C ATOM 409 CD1 LEU A 53 -25.790 3.676 -28.256 1.00 19.19 C ATOM 410 CD2 LEU A 53 -25.464 3.846 -25.794 1.00 17.05 C ATOM 411 H LEU A 53 -21.510 3.707 -27.869 1.00 0.00 H ATOM 412 N VAL A 54 -21.863 0.464 -25.543 1.00 6.99 N ATOM 413 CA VAL A 54 -21.315 -0.886 -25.657 1.00 7.66 C ATOM 414 C VAL A 54 -22.485 -1.848 -25.550 1.00 7.91 C ATOM 415 O VAL A 54 -23.240 -1.804 -24.571 1.00 8.57 O ATOM 416 CB VAL A 54 -20.251 -1.181 -24.587 1.00 8.27 C ATOM 417 CG1 VAL A 54 -19.555 -2.508 -24.903 1.00 9.80 C ATOM 418 CG2 VAL A 54 -19.251 -0.023 -24.496 1.00 9.51 C ATOM 419 H VAL A 54 -22.339 0.735 -24.659 1.00 0.00 H ATOM 420 N ILE A 55 -22.651 -2.698 -26.561 1.00 7.69 N ATOM 421 CA ILE A 55 -23.790 -3.613 -26.599 1.00 9.07 C ATOM 422 C ILE A 55 -23.311 -5.049 -26.763 1.00 9.03 C ATOM 423 O ILE A 55 -22.322 -5.298 -27.471 1.00 9.47 O ATOM 424 CB ILE A 55 -24.790 -3.260 -27.713 1.00 8.83 C ATOM 425 CG1 ILE A 55 -24.177 -3.457 -29.098 1.00 9.98 C ATOM 426 CG2 ILE A 55 -25.321 -1.849 -27.533 1.00 11.39 C ATOM 427 CD1 ILE A 55 -25.180 -3.283 -30.208 1.00 12.97 C ATOM 428 H ILE A 55 -21.959 -2.711 -27.337 1.00 0.00 H ATOM 429 N PRO A 56 -23.989 -6.021 -26.162 1.00 8.36 N ATOM 430 CA PRO A 56 -23.670 -7.416 -26.458 1.00 7.84 C ATOM 431 C PRO A 56 -24.166 -7.782 -27.842 1.00 8.01 C ATOM 432 O PRO A 56 -25.150 -7.231 -28.347 1.00 9.12 O ATOM 433 CB PRO A 56 -24.458 -8.186 -25.397 1.00 9.63 C ATOM 434 CG PRO A 56 -25.643 -7.322 -25.125 1.00 11.88 C ATOM 435 CD PRO A 56 -25.130 -5.901 -25.237 1.00 8.78 C ATOM 436 N LYS A 57 -23.490 -8.758 -28.456 1.00 8.80 N ATOM 437 CA LYS A 57 -24.023 -9.329 -29.690 1.00 9.78 C ATOM 438 C LYS A 57 -25.183 -10.279 -29.414 1.00 9.58 C ATOM 439 O LYS A 57 -26.117 -10.368 -30.221 1.00 11.55 O ATOM 440 CB LYS A 57 -22.907 -9.990 -30.504 1.00 11.22 C ATOM 441 CG LYS A 57 -21.949 -8.972 -31.102 1.00 11.12 C ATOM 442 CD LYS A 57 -20.912 -9.615 -32.005 1.00 12.69 C ATOM 443 CE LYS A 57 -20.136 -8.552 -32.753 1.00 12.91 C ATOM 444 NZ LYS A 57 -19.087 -9.171 -33.622 1.00 12.62 N ATOM 445 HZ1 LYS A 57 -18.426 -9.715 -33.031 1.00 0.00 H ATOM 446 HZ2 LYS A 57 -19.539 -9.804 -34.312 1.00 0.00 H ATOM 447 HZ3 LYS A 57 -18.569 -8.422 -34.124 1.00 0.00 H ATOM 448 H LYS A 57 -22.594 -9.107 -28.059 1.00 0.00 H ATOM 449 N LYS A 58 -25.145 -10.983 -28.288 1.00 10.20 N ATOM 450 CA LYS A 58 -26.299 -11.739 -27.822 1.00 10.68 C ATOM 451 C LYS A 58 -27.433 -10.785 -27.476 1.00 10.39 C ATOM 452 O LYS A 58 -27.231 -9.803 -26.756 1.00 10.81 O ATOM 453 CB LYS A 58 -25.911 -12.533 -26.574 1.00 11.87 C ATOM 454 CG LYS A 58 -27.072 -13.279 -25.921 1.00 12.52 C ATOM 455 CD LYS A 58 -26.646 -14.015 -24.648 1.00 14.07 C ATOM 456 CE LYS A 58 -27.844 -14.674 -23.975 1.00 15.91 C ATOM 457 NZ LYS A 58 -27.441 -15.475 -22.783 1.00 18.00 N ATOM 458 HZ1 LYS A 58 -26.780 -16.222 -23.076 1.00 0.00 H ATOM 459 HZ2 LYS A 58 -26.978 -14.853 -22.089 1.00 0.00 H ATOM 460 HZ3 LYS A 58 -28.285 -15.906 -22.355 1.00 0.00 H ATOM 461 H LYS A 58 -24.270 -10.994 -27.726 1.00 0.00 H ATOM 462 N HIS A 59 -28.631 -11.057 -27.978 1.00 10.29 N ATOM 463 CA HIS A 59 -29.771 -10.209 -27.659 1.00 9.55 C ATOM 464 C HIS A 59 -30.283 -10.515 -26.256 1.00 9.61 C ATOM 465 O HIS A 59 -30.725 -11.633 -25.972 1.00 11.85 O ATOM 466 CB HIS A 59 -30.900 -10.364 -28.671 1.00 11.47 C ATOM 467 CG HIS A 59 -32.107 -9.560 -28.314 1.00 10.23 C ATOM 468 ND1 HIS A 59 -32.104 -8.181 -28.324 1.00 10.47 N ATOM 469 CD2 HIS A 59 -33.329 -9.932 -27.864 1.00 11.92 C ATOM 470 CE1 HIS A 59 -33.285 -7.740 -27.928 1.00 10.91 C ATOM 471 NE2 HIS A 59 -34.047 -8.781 -27.647 1.00 12.19 N ATOM 472 H HIS A 59 -28.756 -11.879 -28.602 1.00 0.00 H ATOM 473 N ILE A 60 -30.196 -9.518 -25.380 1.00 10.45 N ATOM 474 CA ILE A 60 -30.855 -9.488 -24.080 1.00 9.71 C ATOM 475 C ILE A 60 -31.649 -8.194 -24.077 1.00 9.22 C ATOM 476 O ILE A 60 -31.094 -7.131 -24.370 1.00 10.06 O ATOM 477 CB ILE A 60 -29.827 -9.482 -22.933 1.00 10.53 C ATOM 478 CG1 ILE A 60 -28.900 -10.695 -23.029 1.00 11.73 C ATOM 479 CG2 ILE A 60 -30.536 -9.448 -21.586 1.00 12.21 C ATOM 480 CD1 ILE A 60 -27.669 -10.580 -22.150 1.00 15.27 C ATOM 481 H ILE A 60 -29.614 -8.697 -25.642 1.00 0.00 H ATOM 482 N SER A 61 -32.945 -8.269 -23.779 1.00 9.62 N ATOM 483 CA SER A 61 -33.785 -7.087 -23.982 1.00 11.09 C ATOM 484 C SER A 61 -33.507 -5.984 -22.964 1.00 10.30 C ATOM 485 O SER A 61 -33.611 -4.799 -23.293 1.00 10.76 O ATOM 486 CB SER A 61 -35.261 -7.463 -23.944 1.00 11.85 C ATOM 487 OG SER A 61 -35.610 -7.987 -22.678 1.00 14.64 O ATOM 488 HG SER A 61 -36.571 -8.225 -22.674 1.00 0.00 H ATOM 489 H SER A 61 -33.353 -9.151 -23.409 1.00 0.00 H ATOM 490 N GLN A 62 -33.172 -6.344 -21.730 1.00 10.90 N ATOM 491 CA GLN A 62 -33.019 -5.367 -20.661 1.00 10.46 C ATOM 492 C GLN A 62 -32.340 -6.067 -19.497 1.00 10.23 C ATOM 493 O GLN A 62 -32.396 -7.294 -19.369 1.00 10.83 O ATOM 494 CB GLN A 62 -34.371 -4.784 -20.242 1.00 12.13 C ATOM 495 CG GLN A 62 -35.382 -5.831 -19.818 1.00 13.24 C ATOM 496 CD GLN A 62 -36.796 -5.430 -20.171 1.00 15.72 C ATOM 497 OE1 GLN A 62 -37.340 -5.869 -21.189 1.00 20.72 O ATOM 498 NE2 GLN A 62 -37.395 -4.593 -19.346 1.00 16.78 N ATOM 499 HE22 GLN A 62 -36.896 -4.250 -18.500 1.00 0.00 H ATOM 500 HE21 GLN A 62 -38.366 -4.276 -19.541 1.00 0.00 H ATOM 501 H GLN A 62 -33.015 -7.351 -21.522 1.00 0.00 H ATOM 502 N ILE A 63 -31.689 -5.269 -18.650 1.00 10.57 N ATOM 503 CA ILE A 63 -30.882 -5.846 -17.583 1.00 11.55 C ATOM 504 C ILE A 63 -31.745 -6.649 -16.623 1.00 10.20 C ATOM 505 O ILE A 63 -31.284 -7.644 -16.054 1.00 11.40 O ATOM 506 CB ILE A 63 -30.038 -4.755 -16.883 1.00 11.45 C ATOM 507 CG1 ILE A 63 -28.996 -5.376 -15.956 1.00 16.12 C ATOM 508 CG2 ILE A 63 -30.914 -3.769 -16.135 1.00 15.14 C ATOM 509 CD1 ILE A 63 -27.951 -6.148 -16.699 1.00 20.85 C ATOM 510 H ILE A 63 -31.757 -4.236 -18.751 1.00 0.00 H ATOM 511 N SER A 64 -33.018 -6.277 -16.463 1.00 10.66 N ATOM 512 CA SER A 64 -33.864 -6.965 -15.495 1.00 12.24 C ATOM 513 C SER A 64 -34.129 -8.419 -15.867 1.00 13.07 C ATOM 514 O SER A 64 -34.521 -9.197 -14.992 1.00 15.78 O ATOM 515 CB SER A 64 -35.183 -6.227 -15.284 1.00 12.74 C ATOM 516 OG SER A 64 -35.953 -6.227 -16.476 1.00 13.68 O ATOM 517 HG SER A 64 -36.803 -5.744 -16.318 1.00 0.00 H ATOM 518 H SER A 64 -33.406 -5.496 -17.029 1.00 0.00 H ATOM 519 N VAL A 65 -33.920 -8.817 -17.125 1.00 12.38 N ATOM 520 CA VAL A 65 -34.121 -10.201 -17.536 1.00 12.57 C ATOM 521 C VAL A 65 -32.811 -10.923 -17.827 1.00 12.44 C ATOM 522 O VAL A 65 -32.833 -12.065 -18.293 1.00 13.54 O ATOM 523 CB VAL A 65 -35.120 -10.341 -18.700 1.00 15.60 C ATOM 524 CG1 VAL A 65 -36.443 -9.690 -18.353 1.00 19.31 C ATOM 525 CG2 VAL A 65 -34.552 -9.763 -19.975 1.00 14.27 C ATOM 526 H VAL A 65 -33.605 -8.120 -17.830 1.00 0.00 H ATOM 527 N ALA A 66 -31.665 -10.303 -17.550 1.00 12.34 N ATOM 528 CA ALA A 66 -30.399 -11.003 -17.732 1.00 11.43 C ATOM 529 C ALA A 66 -30.326 -12.225 -16.822 1.00 12.88 C ATOM 530 O ALA A 66 -30.810 -12.211 -15.686 1.00 14.36 O ATOM 531 CB ALA A 66 -29.218 -10.076 -17.453 1.00 12.74 C ATOM 532 H ALA A 66 -31.673 -9.322 -17.205 1.00 0.00 H ATOM 533 N GLU A 67 -29.742 -13.298 -17.341 1.00 14.55 N ATOM 534 CA GLU A 67 -29.615 -14.534 -16.584 1.00 16.06 C ATOM 535 C GLU A 67 -28.316 -14.540 -15.787 1.00 14.71 C ATOM 536 O GLU A 67 -27.378 -13.793 -16.075 1.00 13.31 O ATOM 537 CB GLU A 67 -29.659 -15.737 -17.524 1.00 20.27 C ATOM 538 CG GLU A 67 -31.013 -15.955 -18.175 1.00 30.27 C ATOM 539 CD GLU A 67 -31.017 -17.141 -19.114 1.00 40.24 C ATOM 540 OE1 GLU A 67 -30.001 -17.352 -19.811 1.00 41.31 O ATOM 541 OE2 GLU A 67 -32.033 -17.867 -19.149 1.00 51.76 O ATOM 542 H GLU A 67 -29.367 -13.254 -18.310 1.00 0.00 H ATOM 543 N ASP A 68 -28.270 -15.403 -14.763 1.00 16.03 N ATOM 544 CA ASP A 68 -27.059 -15.515 -13.952 1.00 14.36 C ATOM 545 C ASP A 68 -25.835 -15.805 -14.815 1.00 14.45 C ATOM 546 O ASP A 68 -24.743 -15.292 -14.547 1.00 15.76 O ATOM 547 CB ASP A 68 -27.214 -16.613 -12.892 1.00 16.89 C ATOM 548 CG ASP A 68 -28.212 -16.254 -11.804 1.00 20.45 C ATOM 549 OD1 ASP A 68 -28.850 -15.183 -11.887 1.00 20.68 O ATOM 550 OD2 ASP A 68 -28.361 -17.058 -10.854 1.00 23.29 O ATOM 551 H ASP A 68 -29.097 -15.994 -14.545 1.00 0.00 H ATOM 552 N ASP A 69 -25.995 -16.623 -15.856 1.00 14.34 N ATOM 553 CA ASP A 69 -24.854 -16.961 -16.695 1.00 15.88 C ATOM 554 C ASP A 69 -24.448 -15.840 -17.643 1.00 15.71 C ATOM 555 O ASP A 69 -23.480 -16.014 -18.389 1.00 15.38 O ATOM 556 CB ASP A 69 -25.082 -18.276 -17.453 1.00 19.11 C ATOM 557 CG ASP A 69 -26.371 -18.281 -18.251 1.00 21.39 C ATOM 558 OD1 ASP A 69 -26.930 -19.379 -18.461 1.00 29.69 O ATOM 559 OD2 ASP A 69 -26.830 -17.198 -18.670 1.00 24.89 O ATOM 560 H ASP A 69 -26.933 -17.019 -16.068 1.00 0.00 H ATOM 561 N ASP A 70 -25.146 -14.701 -17.621 1.00 12.65 N ATOM 562 CA ASP A 70 -24.752 -13.515 -18.371 1.00 12.00 C ATOM 563 C ASP A 70 -23.740 -12.654 -17.625 1.00 12.37 C ATOM 564 O ASP A 70 -23.355 -11.602 -18.141 1.00 11.07 O ATOM 565 CB ASP A 70 -25.984 -12.675 -18.726 1.00 14.52 C ATOM 566 CG ASP A 70 -26.864 -13.330 -19.770 1.00 15.16 C ATOM 567 OD1 ASP A 70 -26.327 -13.908 -20.743 1.00 16.75 O ATOM 568 OD2 ASP A 70 -28.101 -13.240 -19.628 1.00 17.43 O ATOM 569 H ASP A 70 -26.009 -14.659 -17.043 1.00 0.00 H ATOM 570 N GLU A 71 -23.309 -13.054 -16.425 1.00 12.22 N ATOM 571 CA GLU A 71 -22.425 -12.206 -15.628 1.00 10.52 C ATOM 572 C GLU A 71 -21.151 -11.846 -16.378 1.00 11.31 C ATOM 573 O GLU A 71 -20.745 -10.681 -16.397 1.00 11.22 O ATOM 574 CB GLU A 71 -22.075 -12.895 -14.309 1.00 14.69 C ATOM 575 CG GLU A 71 -23.127 -12.738 -13.252 1.00 16.73 C ATOM 576 CD GLU A 71 -22.700 -13.284 -11.911 1.00 18.12 C ATOM 577 OE1 GLU A 71 -21.561 -13.791 -11.802 1.00 18.98 O ATOM 578 OE2 GLU A 71 -23.519 -13.191 -10.975 1.00 17.23 O ATOM 579 H GLU A 71 -23.606 -13.979 -16.054 1.00 0.00 H ATOM 580 N SER A 72 -20.481 -12.835 -16.966 1.00 9.83 N ATOM 581 CA SER A 72 -19.213 -12.546 -17.624 1.00 11.11 C ATOM 582 C SER A 72 -19.409 -11.593 -18.795 1.00 10.22 C ATOM 583 O SER A 72 -18.586 -10.699 -19.017 1.00 10.75 O ATOM 584 CB SER A 72 -18.538 -13.840 -18.077 1.00 14.70 C ATOM 585 OG SER A 72 -19.302 -14.494 -19.069 1.00 19.98 O ATOM 586 HG SER A 72 -19.402 -13.898 -19.853 1.00 0.00 H ATOM 587 H SER A 72 -20.859 -13.804 -16.956 1.00 0.00 H ATOM 588 N LEU A 73 -20.502 -11.766 -19.544 1.00 9.25 N ATOM 589 CA LEU A 73 -20.791 -10.891 -20.672 1.00 8.87 C ATOM 590 C LEU A 73 -21.033 -9.464 -20.204 1.00 9.82 C ATOM 591 O LEU A 73 -20.506 -8.508 -20.784 1.00 10.16 O ATOM 592 CB LEU A 73 -22.015 -11.429 -21.403 1.00 11.45 C ATOM 593 CG LEU A 73 -22.559 -10.543 -22.519 1.00 11.27 C ATOM 594 CD1 LEU A 73 -21.505 -10.274 -23.603 1.00 11.82 C ATOM 595 CD2 LEU A 73 -23.804 -11.184 -23.111 1.00 12.99 C ATOM 596 H LEU A 73 -21.159 -12.540 -19.317 1.00 0.00 H ATOM 597 N LEU A 74 -21.840 -9.298 -19.155 1.00 9.53 N ATOM 598 CA LEU A 74 -22.116 -7.960 -18.647 1.00 8.72 C ATOM 599 C LEU A 74 -20.846 -7.296 -18.148 1.00 8.54 C ATOM 600 O LEU A 74 -20.605 -6.109 -18.420 1.00 10.00 O ATOM 601 CB LEU A 74 -23.156 -8.026 -17.535 1.00 10.58 C ATOM 602 CG LEU A 74 -24.552 -8.471 -17.958 1.00 10.93 C ATOM 603 CD1 LEU A 74 -25.424 -8.670 -16.725 1.00 14.34 C ATOM 604 CD2 LEU A 74 -25.168 -7.465 -18.908 1.00 13.55 C ATOM 605 H LEU A 74 -22.274 -10.126 -18.698 1.00 0.00 H ATOM 606 N GLY A 75 -20.015 -8.042 -17.419 1.00 9.51 N ATOM 607 CA GLY A 75 -18.735 -7.500 -17.002 1.00 10.21 C ATOM 608 C GLY A 75 -17.852 -7.145 -18.185 1.00 9.63 C ATOM 609 O GLY A 75 -17.122 -6.152 -18.154 1.00 9.99 O ATOM 610 H GLY A 75 -20.284 -9.010 -17.150 1.00 0.00 H ATOM 611 N HIS A 76 -17.921 -7.947 -19.252 1.00 9.74 N ATOM 612 CA HIS A 76 -17.120 -7.665 -20.438 1.00 9.57 C ATOM 613 C HIS A 76 -17.523 -6.338 -21.067 1.00 9.55 C ATOM 614 O HIS A 76 -16.672 -5.604 -21.576 1.00 9.79 O ATOM 615 CB HIS A 76 -17.251 -8.807 -21.447 1.00 10.34 C ATOM 616 CG HIS A 76 -16.351 -8.673 -22.634 1.00 10.38 C ATOM 617 ND1 HIS A 76 -14.977 -8.662 -22.532 1.00 12.63 N ATOM 618 CD2 HIS A 76 -16.633 -8.568 -23.954 1.00 10.28 C ATOM 619 CE1 HIS A 76 -14.450 -8.557 -23.740 1.00 12.06 C ATOM 620 NE2 HIS A 76 -15.433 -8.507 -24.618 1.00 10.74 N ATOM 621 H HIS A 76 -18.549 -8.776 -19.237 1.00 0.00 H ATOM 622 N LEU A 77 -18.817 -6.007 -21.033 1.00 9.16 N ATOM 623 CA LEU A 77 -19.242 -4.709 -21.551 1.00 9.92 C ATOM 624 C LEU A 77 -18.548 -3.578 -20.808 1.00 9.79 C ATOM 625 O LEU A 77 -18.131 -2.581 -21.412 1.00 9.40 O ATOM 626 CB LEU A 77 -20.755 -4.548 -21.419 1.00 10.27 C ATOM 627 CG LEU A 77 -21.646 -5.581 -22.099 1.00 9.92 C ATOM 628 CD1 LEU A 77 -23.102 -5.200 -21.907 1.00 12.53 C ATOM 629 CD2 LEU A 77 -21.342 -5.703 -23.587 1.00 12.32 C ATOM 630 H LEU A 77 -19.517 -6.669 -20.641 1.00 0.00 H ATOM 631 N MET A 78 -18.409 -3.722 -19.488 1.00 9.06 N ATOM 632 CA MET A 78 -17.767 -2.685 -18.693 1.00 9.69 C ATOM 633 C MET A 78 -16.271 -2.614 -18.957 1.00 9.35 C ATOM 634 O MET A 78 -15.700 -1.517 -19.020 1.00 9.68 O ATOM 635 CB MET A 78 -18.037 -2.926 -17.214 1.00 11.70 C ATOM 636 CG MET A 78 -19.466 -2.617 -16.817 1.00 16.12 C ATOM 637 SD MET A 78 -19.698 -2.592 -15.039 1.00 21.05 S ATOM 638 CE MET A 78 -18.559 -1.308 -14.592 1.00 27.22 C ATOM 639 H MET A 78 -18.763 -4.583 -19.023 1.00 0.00 H ATOM 640 N ILE A 79 -15.619 -3.770 -19.097 1.00 8.62 N ATOM 641 CA ILE A 79 -14.190 -3.785 -19.403 1.00 9.95 C ATOM 642 C ILE A 79 -13.935 -3.166 -20.772 1.00 9.65 C ATOM 643 O ILE A 79 -13.015 -2.357 -20.948 1.00 10.15 O ATOM 644 CB ILE A 79 -13.623 -5.212 -19.300 1.00 9.81 C ATOM 645 CG1 ILE A 79 -13.633 -5.692 -17.845 1.00 11.73 C ATOM 646 CG2 ILE A 79 -12.213 -5.269 -19.888 1.00 13.33 C ATOM 647 CD1 ILE A 79 -12.748 -4.894 -16.922 1.00 13.59 C ATOM 648 H ILE A 79 -16.132 -4.668 -18.987 1.00 0.00 H ATOM 649 N VAL A 80 -14.744 -3.546 -21.765 1.00 9.63 N ATOM 650 CA VAL A 80 -14.630 -2.932 -23.086 1.00 8.50 C ATOM 651 C VAL A 80 -14.913 -1.437 -23.011 1.00 10.15 C ATOM 652 O VAL A 80 -14.207 -0.627 -23.625 1.00 9.77 O ATOM 653 CB VAL A 80 -15.529 -3.665 -24.100 1.00 9.14 C ATOM 654 CG1 VAL A 80 -15.616 -2.894 -25.411 1.00 10.02 C ATOM 655 CG2 VAL A 80 -14.990 -5.067 -24.354 1.00 11.08 C ATOM 656 H VAL A 80 -15.459 -4.283 -21.597 1.00 0.00 H ATOM 657 N GLY A 81 -15.930 -1.044 -22.238 1.00 8.75 N ATOM 658 CA GLY A 81 -16.214 0.374 -22.077 1.00 9.29 C ATOM 659 C GLY A 81 -15.034 1.149 -21.522 1.00 9.49 C ATOM 660 O GLY A 81 -14.689 2.224 -22.018 1.00 9.80 O ATOM 661 H GLY A 81 -16.518 -1.751 -21.752 1.00 0.00 H ATOM 662 N LYS A 82 -14.390 0.616 -20.481 1.00 9.55 N ATOM 663 CA LYS A 82 -13.273 1.358 -19.900 1.00 10.24 C ATOM 664 C LYS A 82 -12.060 1.362 -20.827 1.00 9.78 C ATOM 665 O LYS A 82 -11.347 2.367 -20.902 1.00 11.73 O ATOM 666 CB LYS A 82 -12.957 0.900 -18.469 1.00 13.05 C ATOM 667 CG LYS A 82 -12.288 -0.443 -18.323 1.00 13.44 C ATOM 668 CD LYS A 82 -10.783 -0.296 -18.228 1.00 15.36 C ATOM 669 CE LYS A 82 -10.144 -1.612 -17.842 1.00 21.39 C ATOM 670 NZ LYS A 82 -8.675 -1.457 -17.664 1.00 23.36 N ATOM 671 HZ1 LYS A 82 -8.252 -1.128 -18.555 1.00 0.00 H ATOM 672 HZ2 LYS A 82 -8.489 -0.762 -16.913 1.00 0.00 H ATOM 673 HZ3 LYS A 82 -8.260 -2.373 -17.400 1.00 0.00 H ATOM 674 H LYS A 82 -14.676 -0.305 -20.093 1.00 0.00 H ATOM 675 N LYS A 83 -11.836 0.273 -21.563 1.00 10.01 N ATOM 676 CA LYS A 83 -10.730 0.257 -22.514 1.00 12.05 C ATOM 677 C LYS A 83 -10.969 1.231 -23.659 1.00 12.09 C ATOM 678 O LYS A 83 -10.050 1.955 -24.066 1.00 12.80 O ATOM 679 CB LYS A 83 -10.505 -1.159 -23.039 1.00 12.89 C ATOM 680 CG LYS A 83 -9.936 -2.085 -21.973 1.00 19.25 C ATOM 681 CD LYS A 83 -9.590 -3.455 -22.526 1.00 21.65 C ATOM 682 CE LYS A 83 -8.982 -4.334 -21.442 1.00 23.74 C ATOM 683 NZ LYS A 83 -8.812 -5.743 -21.902 1.00 23.64 N ATOM 684 HZ1 LYS A 83 -9.739 -6.136 -22.160 1.00 0.00 H ATOM 685 HZ2 LYS A 83 -8.183 -5.763 -22.730 1.00 0.00 H ATOM 686 HZ3 LYS A 83 -8.395 -6.309 -21.135 1.00 0.00 H ATOM 687 H LYS A 83 -12.447 -0.562 -21.459 1.00 0.00 H ATOM 688 N CYS A 84 -12.191 1.266 -24.194 1.00 10.53 N ATOM 689 CA CYS A 84 -12.496 2.225 -25.250 1.00 10.67 C ATOM 690 C CYS A 84 -12.364 3.659 -24.757 1.00 9.84 C ATOM 691 O CYS A 84 -11.903 4.536 -25.497 1.00 10.74 O ATOM 692 CB CYS A 84 -13.906 1.983 -25.780 1.00 9.74 C ATOM 693 SG CYS A 84 -14.081 0.495 -26.784 1.00 11.94 S ATOM 694 H CYS A 84 -12.925 0.610 -23.858 1.00 0.00 H ATOM 695 N ALA A 85 -12.801 3.925 -23.524 1.00 10.58 N ATOM 696 CA ALA A 85 -12.688 5.270 -22.978 1.00 10.26 C ATOM 697 C ALA A 85 -11.232 5.708 -22.908 1.00 10.89 C ATOM 698 O ALA A 85 -10.902 6.855 -23.241 1.00 11.88 O ATOM 699 CB ALA A 85 -13.343 5.327 -21.598 1.00 10.76 C ATOM 700 H ALA A 85 -13.224 3.168 -22.951 1.00 0.00 H ATOM 701 N ALA A 86 -10.345 4.804 -22.487 1.00 11.97 N ATOM 702 CA ALA A 86 -8.922 5.125 -22.459 1.00 14.02 C ATOM 703 C ALA A 86 -8.390 5.357 -23.867 1.00 14.25 C ATOM 704 O ALA A 86 -7.651 6.323 -24.109 1.00 16.52 O ATOM 705 CB ALA A 86 -8.148 4.004 -21.769 1.00 16.28 C ATOM 706 H ALA A 86 -10.670 3.866 -22.177 1.00 0.00 H ATOM 707 N ASP A 87 -8.777 4.497 -24.816 1.00 14.18 N ATOM 708 CA ASP A 87 -8.301 4.635 -26.189 1.00 15.16 C ATOM 709 C ASP A 87 -8.794 5.927 -26.829 1.00 15.99 C ATOM 710 O ASP A 87 -8.141 6.458 -27.733 1.00 15.77 O ATOM 711 CB ASP A 87 -8.743 3.433 -27.026 1.00 15.91 C ATOM 712 CG ASP A 87 -8.064 2.146 -26.607 1.00 22.43 C ATOM 713 OD1 ASP A 87 -7.055 2.208 -25.875 1.00 26.21 O ATOM 714 OD2 ASP A 87 -8.549 1.067 -27.011 1.00 28.80 O ATOM 715 H ASP A 87 -9.425 3.721 -24.573 1.00 0.00 H ATOM 716 N LEU A 88 -9.941 6.434 -26.393 1.00 13.19 N ATOM 717 CA LEU A 88 -10.480 7.703 -26.869 1.00 13.77 C ATOM 718 C LEU A 88 -9.953 8.906 -26.092 1.00 15.10 C ATOM 719 O LEU A 88 -10.393 10.034 -26.343 1.00 18.33 O ATOM 720 CB LEU A 88 -12.013 7.664 -26.823 1.00 15.69 C ATOM 721 CG LEU A 88 -12.672 6.693 -27.808 1.00 13.60 C ATOM 722 CD1 LEU A 88 -14.147 6.530 -27.485 1.00 16.25 C ATOM 723 CD2 LEU A 88 -12.485 7.179 -29.238 1.00 19.75 C ATOM 724 H LEU A 88 -10.480 5.902 -25.680 1.00 0.00 H ATOM 725 N GLY A 89 -9.031 8.698 -25.159 1.00 13.93 N ATOM 726 CA GLY A 89 -8.403 9.808 -24.461 1.00 15.48 C ATOM 727 C GLY A 89 -9.201 10.434 -23.341 1.00 14.69 C ATOM 728 O GLY A 89 -8.971 11.605 -23.017 1.00 16.61 O ATOM 729 H GLY A 89 -8.753 7.724 -24.924 1.00 0.00 H ATOM 730 N LEU A 90 -10.132 9.699 -22.732 1.00 13.65 N ATOM 731 CA LEU A 90 -10.933 10.229 -21.626 1.00 15.44 C ATOM 732 C LEU A 90 -10.174 10.122 -20.298 1.00 16.84 C ATOM 733 O LEU A 90 -10.598 9.464 -19.345 1.00 17.10 O ATOM 734 CB LEU A 90 -12.287 9.536 -21.565 1.00 13.95 C ATOM 735 CG LEU A 90 -13.151 9.712 -22.814 1.00 12.60 C ATOM 736 CD1 LEU A 90 -14.489 9.000 -22.643 1.00 15.40 C ATOM 737 CD2 LEU A 90 -13.350 11.195 -23.152 1.00 15.50 C ATOM 738 H LEU A 90 -10.294 8.722 -23.051 1.00 0.00 H ATOM 739 N ASN A 91 -9.046 10.837 -20.242 1.00 18.38 N ATOM 740 CA ASN A 91 -8.115 10.726 -19.123 1.00 19.12 C ATOM 741 C ASN A 91 -8.614 11.404 -17.850 1.00 16.32 C ATOM 742 O ASN A 91 -8.073 11.136 -16.771 1.00 20.46 O ATOM 743 CB ASN A 91 -6.741 11.270 -19.531 1.00 21.36 C ATOM 744 CG ASN A 91 -6.813 12.666 -20.128 1.00 20.11 C ATOM 745 OD1 ASN A 91 -7.466 13.554 -19.583 1.00 21.03 O ATOM 746 ND2 ASN A 91 -6.136 12.866 -21.255 1.00 20.35 N ATOM 747 HD22 ASN A 91 -5.596 12.087 -21.683 1.00 0.00 H ATOM 748 HD21 ASN A 91 -6.146 13.802 -21.709 1.00 0.00 H ATOM 749 H ASN A 91 -8.825 11.492 -21.019 1.00 0.00 H ATOM 750 N LYS A 92 -9.620 12.266 -17.940 1.00 14.88 N ATOM 751 CA LYS A 92 -10.178 12.910 -16.761 1.00 15.57 C ATOM 752 C LYS A 92 -11.417 12.206 -16.236 1.00 12.36 C ATOM 753 O LYS A 92 -12.036 12.694 -15.287 1.00 14.88 O ATOM 754 CB LYS A 92 -10.482 14.384 -17.042 1.00 18.92 C ATOM 755 CG LYS A 92 -9.245 15.234 -17.278 1.00 24.73 C ATOM 756 CD LYS A 92 -9.600 16.706 -17.412 1.00 25.17 C ATOM 757 CE LYS A 92 -10.251 17.237 -16.148 1.00 23.84 C ATOM 758 NZ LYS A 92 -10.567 18.688 -16.266 1.00 29.12 N ATOM 759 HZ1 LYS A 92 -9.689 19.220 -16.434 1.00 0.00 H ATOM 760 HZ2 LYS A 92 -11.221 18.836 -17.061 1.00 0.00 H ATOM 761 HZ3 LYS A 92 -11.011 19.018 -15.385 1.00 0.00 H ATOM 762 H LYS A 92 -10.018 12.486 -18.875 1.00 0.00 H ATOM 763 N GLY A 93 -11.795 11.085 -16.827 1.00 11.14 N ATOM 764 CA GLY A 93 -12.859 10.256 -16.306 1.00 11.79 C ATOM 765 C GLY A 93 -14.071 10.232 -17.214 1.00 9.05 C ATOM 766 O GLY A 93 -14.074 10.777 -18.324 1.00 10.31 O ATOM 767 H GLY A 93 -11.310 10.789 -17.698 1.00 0.00 H ATOM 768 N TYR A 94 -15.123 9.589 -16.724 1.00 8.67 N ATOM 769 CA TYR A 94 -16.304 9.303 -17.536 1.00 8.65 C ATOM 770 C TYR A 94 -17.357 8.684 -16.629 1.00 7.46 C ATOM 771 O TYR A 94 -17.081 8.316 -15.481 1.00 8.02 O ATOM 772 CB TYR A 94 -15.995 8.373 -18.724 1.00 8.83 C ATOM 773 CG TYR A 94 -15.161 7.170 -18.360 1.00 8.26 C ATOM 774 CD1 TYR A 94 -15.744 6.001 -17.871 1.00 8.63 C ATOM 775 CD2 TYR A 94 -13.780 7.201 -18.509 1.00 9.65 C ATOM 776 CE1 TYR A 94 -14.967 4.905 -17.526 1.00 10.06 C ATOM 777 CE2 TYR A 94 -13.001 6.116 -18.174 1.00 10.78 C ATOM 778 CZ TYR A 94 -13.598 4.971 -17.683 1.00 10.52 C ATOM 779 OH TYR A 94 -12.821 3.885 -17.342 1.00 12.13 O ATOM 780 HH TYR A 94 -12.322 3.575 -18.139 1.00 0.00 H ATOM 781 H TYR A 94 -15.107 9.279 -15.731 1.00 0.00 H ATOM 782 N ARG A 95 -18.565 8.549 -17.167 1.00 7.60 N ATOM 783 CA ARG A 95 -19.682 7.948 -16.454 1.00 7.82 C ATOM 784 C ARG A 95 -20.255 6.827 -17.309 1.00 6.64 C ATOM 785 O ARG A 95 -20.455 7.007 -18.516 1.00 8.12 O ATOM 786 CB ARG A 95 -20.765 8.995 -16.171 1.00 8.92 C ATOM 787 CG ARG A 95 -22.006 8.395 -15.529 1.00 9.05 C ATOM 788 CD ARG A 95 -22.884 9.453 -14.920 1.00 8.60 C ATOM 789 NE ARG A 95 -22.196 10.098 -13.806 1.00 8.69 N ATOM 790 CZ ARG A 95 -22.504 11.284 -13.297 1.00 8.18 C ATOM 791 NH1 ARG A 95 -23.523 11.979 -13.787 1.00 8.87 N ATOM 792 NH2 ARG A 95 -21.788 11.753 -12.280 1.00 8.74 N ATOM 793 HE ARG A 95 -21.399 9.586 -13.376 1.00 0.00 H ATOM 794 HH12 ARG A 95 -23.760 12.908 -13.384 1.00 0.00 H ATOM 795 HH11 ARG A 95 -24.084 11.594 -14.574 1.00 0.00 H ATOM 796 HH22 ARG A 95 -22.015 12.681 -11.868 1.00 0.00 H ATOM 797 HH21 ARG A 95 -21.001 11.192 -11.896 1.00 0.00 H ATOM 798 H ARG A 95 -18.718 8.887 -18.138 1.00 0.00 H ATOM 799 N MET A 96 -20.507 5.675 -16.694 1.00 6.95 N ATOM 800 CA MET A 96 -21.154 4.544 -17.344 1.00 6.18 C ATOM 801 C MET A 96 -22.581 4.442 -16.840 1.00 6.88 C ATOM 802 O MET A 96 -22.828 4.585 -15.642 1.00 8.02 O ATOM 803 CB MET A 96 -20.431 3.248 -17.011 1.00 8.64 C ATOM 804 CG MET A 96 -19.028 3.182 -17.527 1.00 11.09 C ATOM 805 SD MET A 96 -18.239 1.638 -17.064 1.00 12.81 S ATOM 806 CE MET A 96 -16.974 1.527 -18.328 1.00 12.37 C ATOM 807 H MET A 96 -20.227 5.577 -15.697 1.00 0.00 H ATOM 808 N VAL A 97 -23.527 4.189 -17.744 1.00 7.45 N ATOM 809 CA VAL A 97 -24.943 4.178 -17.389 1.00 7.77 C ATOM 810 C VAL A 97 -25.628 2.997 -18.059 1.00 7.79 C ATOM 811 O VAL A 97 -25.465 2.786 -19.265 1.00 8.05 O ATOM 812 CB VAL A 97 -25.649 5.482 -17.819 1.00 7.82 C ATOM 813 CG1 VAL A 97 -27.118 5.454 -17.408 1.00 9.78 C ATOM 814 CG2 VAL A 97 -24.960 6.703 -17.253 1.00 9.77 C ATOM 815 H VAL A 97 -23.249 3.994 -18.727 1.00 0.00 H ATOM 816 N VAL A 98 -26.425 2.255 -17.295 1.00 8.01 N ATOM 817 CA VAL A 98 -27.383 1.303 -17.852 1.00 8.54 C ATOM 818 C VAL A 98 -28.780 1.739 -17.439 1.00 9.42 C ATOM 819 O VAL A 98 -29.054 1.901 -16.244 1.00 11.15 O ATOM 820 CB VAL A 98 -27.113 -0.144 -17.404 1.00 9.53 C ATOM 821 CG1 VAL A 98 -28.168 -1.082 -18.006 1.00 12.06 C ATOM 822 CG2 VAL A 98 -25.726 -0.572 -17.815 1.00 11.73 C ATOM 823 H VAL A 98 -26.364 2.356 -16.262 1.00 0.00 H ATOM 824 N ASN A 99 -29.662 1.919 -18.416 1.00 9.60 N ATOM 825 CA ASN A 99 -31.049 2.285 -18.169 1.00 10.93 C ATOM 826 C ASN A 99 -31.948 1.061 -18.246 1.00 10.41 C ATOM 827 O ASN A 99 -31.821 0.240 -19.162 1.00 12.30 O ATOM 828 CB ASN A 99 -31.515 3.303 -19.207 1.00 11.99 C ATOM 829 CG ASN A 99 -30.782 4.626 -19.090 1.00 11.88 C ATOM 830 OD1 ASN A 99 -30.313 4.986 -18.015 1.00 12.50 O ATOM 831 ND2 ASN A 99 -30.694 5.359 -20.187 1.00 12.35 N ATOM 832 HD22 ASN A 99 -31.106 5.014 -21.077 1.00 0.00 H ATOM 833 HD21 ASN A 99 -30.212 6.280 -20.160 1.00 0.00 H ATOM 834 H ASN A 99 -29.348 1.793 -19.399 1.00 0.00 H ATOM 835 N GLU A 100 -32.863 0.935 -17.286 1.00 9.90 N ATOM 836 CA GLU A 100 -33.821 -0.164 -17.262 1.00 10.24 C ATOM 837 C GLU A 100 -35.232 0.398 -17.292 1.00 10.32 C ATOM 838 O GLU A 100 -35.623 1.163 -16.400 1.00 11.66 O ATOM 839 CB GLU A 100 -33.643 -1.041 -16.023 1.00 12.42 C ATOM 840 CG GLU A 100 -34.854 -1.944 -15.744 1.00 13.24 C ATOM 841 CD GLU A 100 -35.013 -3.091 -16.730 1.00 13.50 C ATOM 842 OE1 GLU A 100 -33.997 -3.551 -17.282 1.00 13.22 O ATOM 843 OE2 GLU A 100 -36.162 -3.552 -16.936 1.00 15.58 O ATOM 844 H GLU A 100 -32.895 1.645 -16.527 1.00 0.00 H ATOM 845 N GLY A 101 -35.993 0.012 -18.306 1.00 11.04 N ATOM 846 CA GLY A 101 -37.417 0.281 -18.300 1.00 13.37 C ATOM 847 C GLY A 101 -37.791 1.755 -18.360 1.00 12.31 C ATOM 848 O GLY A 101 -36.992 2.631 -18.701 1.00 12.49 O ATOM 849 H GLY A 101 -35.565 -0.487 -19.112 1.00 0.00 H ATOM 850 N SER A 102 -39.050 2.017 -18.005 1.00 13.57 N ATOM 851 CA SER A 102 -39.618 3.347 -18.200 1.00 15.51 C ATOM 852 C SER A 102 -38.965 4.379 -17.283 1.00 12.86 C ATOM 853 O SER A 102 -38.562 5.458 -17.736 1.00 13.51 O ATOM 854 CB SER A 102 -41.133 3.302 -17.986 1.00 17.78 C ATOM 855 OG SER A 102 -41.718 4.560 -18.272 1.00 23.94 O ATOM 856 HG SER A 102 -41.330 5.247 -17.673 1.00 0.00 H ATOM 857 H SER A 102 -39.633 1.265 -17.585 1.00 0.00 H ATOM 858 N ASP A 103 -38.861 4.071 -15.988 1.00 13.20 N ATOM 859 CA ASP A 103 -38.253 5.025 -15.063 1.00 14.06 C ATOM 860 C ASP A 103 -36.770 5.215 -15.345 1.00 12.45 C ATOM 861 O ASP A 103 -36.218 6.278 -15.050 1.00 12.49 O ATOM 862 CB ASP A 103 -38.452 4.587 -13.613 1.00 14.09 C ATOM 863 CG ASP A 103 -39.785 5.022 -13.042 1.00 17.68 C ATOM 864 OD1 ASP A 103 -40.518 5.769 -13.722 1.00 20.42 O ATOM 865 OD2 ASP A 103 -40.090 4.617 -11.899 1.00 18.52 O ATOM 866 H ASP A 103 -39.211 3.156 -15.639 1.00 0.00 H ATOM 867 N GLY A 104 -36.109 4.202 -15.908 1.00 11.82 N ATOM 868 CA GLY A 104 -34.730 4.371 -16.328 1.00 12.48 C ATOM 869 C GLY A 104 -34.544 5.135 -17.614 1.00 12.36 C ATOM 870 O GLY A 104 -33.412 5.509 -17.941 1.00 14.34 O ATOM 871 H GLY A 104 -36.584 3.287 -16.047 1.00 0.00 H ATOM 872 N GLY A 105 -35.621 5.376 -18.355 1.00 11.77 N ATOM 873 CA GLY A 105 -35.508 6.046 -19.629 1.00 13.75 C ATOM 874 C GLY A 105 -35.011 5.175 -20.757 1.00 14.39 C ATOM 875 O GLY A 105 -34.500 5.695 -21.749 1.00 14.55 O ATOM 876 H GLY A 105 -36.557 5.078 -18.013 1.00 0.00 H ATOM 877 N GLN A 106 -35.140 3.855 -20.639 1.00 12.15 N ATOM 878 CA GLN A 106 -34.663 2.957 -21.685 1.00 11.75 C ATOM 879 C GLN A 106 -35.490 3.137 -22.959 1.00 14.25 C ATOM 880 O GLN A 106 -36.720 3.030 -22.930 1.00 18.44 O ATOM 881 CB GLN A 106 -34.742 1.516 -21.192 1.00 11.92 C ATOM 882 CG GLN A 106 -34.181 0.531 -22.191 1.00 12.17 C ATOM 883 CD GLN A 106 -34.062 -0.876 -21.657 1.00 9.38 C ATOM 884 OE1 GLN A 106 -34.514 -1.194 -20.558 1.00 10.74 O ATOM 885 NE2 GLN A 106 -33.464 -1.742 -22.462 1.00 11.15 N ATOM 886 HE22 GLN A 106 -33.097 -1.428 -23.383 1.00 0.00 H ATOM 887 HE21 GLN A 106 -33.362 -2.736 -22.173 1.00 0.00 H ATOM 888 H GLN A 106 -35.588 3.458 -19.788 1.00 0.00 H ATOM 889 N SER A 107 -34.830 3.422 -24.081 1.00 12.58 N ATOM 890 CA SER A 107 -35.562 3.633 -25.324 1.00 13.14 C ATOM 891 C SER A 107 -35.387 2.523 -26.348 1.00 13.91 C ATOM 892 O SER A 107 -36.151 2.477 -27.319 1.00 15.18 O ATOM 893 CB SER A 107 -35.181 4.967 -25.982 1.00 15.01 C ATOM 894 OG SER A 107 -33.810 4.984 -26.318 1.00 19.61 O ATOM 895 HG SER A 107 -33.269 4.865 -25.498 1.00 0.00 H ATOM 896 H SER A 107 -33.793 3.494 -24.070 1.00 0.00 H ATOM 897 N VAL A 108 -34.388 1.666 -26.182 1.00 10.31 N ATOM 898 CA VAL A 108 -34.150 0.528 -27.063 1.00 9.94 C ATOM 899 C VAL A 108 -34.017 -0.701 -26.180 1.00 9.54 C ATOM 900 O VAL A 108 -33.197 -0.720 -25.251 1.00 9.46 O ATOM 901 CB VAL A 108 -32.874 0.706 -27.908 1.00 12.18 C ATOM 902 CG1 VAL A 108 -32.665 -0.511 -28.808 1.00 11.46 C ATOM 903 CG2 VAL A 108 -32.939 1.982 -28.742 1.00 13.14 C ATOM 904 H VAL A 108 -33.740 1.813 -25.382 1.00 0.00 H ATOM 905 N TYR A 109 -34.805 -1.731 -26.473 1.00 8.72 N ATOM 906 CA TYR A 109 -34.835 -2.936 -25.649 1.00 9.42 C ATOM 907 C TYR A 109 -33.861 -3.993 -26.171 1.00 8.95 C ATOM 908 O TYR A 109 -34.210 -5.104 -26.569 1.00 9.27 O ATOM 909 CB TYR A 109 -36.267 -3.424 -25.442 1.00 10.40 C ATOM 910 CG TYR A 109 -36.934 -2.538 -24.415 1.00 10.54 C ATOM 911 CD1 TYR A 109 -37.500 -1.321 -24.776 1.00 11.60 C ATOM 912 CD2 TYR A 109 -36.910 -2.870 -23.070 1.00 11.55 C ATOM 913 CE1 TYR A 109 -38.069 -0.483 -23.820 1.00 13.28 C ATOM 914 CE2 TYR A 109 -37.469 -2.041 -22.116 1.00 13.30 C ATOM 915 CZ TYR A 109 -38.045 -0.856 -22.494 1.00 13.12 C ATOM 916 OH TYR A 109 -38.599 -0.053 -21.514 1.00 16.87 O ATOM 917 HH TYR A 109 -38.975 0.763 -21.931 1.00 0.00 H ATOM 918 H TYR A 109 -35.417 -1.677 -27.312 1.00 0.00 H ATOM 919 N HIS A 110 -32.596 -3.578 -26.150 1.00 9.27 N ATOM 920 CA HIS A 110 -31.428 -4.435 -26.298 1.00 8.93 C ATOM 921 C HIS A 110 -30.405 -3.821 -25.358 1.00 8.43 C ATOM 922 O HIS A 110 -30.131 -2.621 -25.456 1.00 9.43 O ATOM 923 CB HIS A 110 -30.927 -4.407 -27.747 1.00 9.60 C ATOM 924 CG HIS A 110 -29.723 -5.260 -28.009 1.00 8.17 C ATOM 925 ND1 HIS A 110 -29.797 -6.444 -28.712 1.00 12.20 N ATOM 926 CD2 HIS A 110 -28.411 -5.081 -27.717 1.00 9.78 C ATOM 927 CE1 HIS A 110 -28.587 -6.963 -28.829 1.00 10.60 C ATOM 928 NE2 HIS A 110 -27.728 -6.160 -28.225 1.00 9.06 N ATOM 929 H HIS A 110 -32.429 -2.560 -26.017 1.00 0.00 H ATOM 930 N VAL A 111 -29.884 -4.622 -24.425 1.00 8.61 N ATOM 931 CA VAL A 111 -29.036 -4.102 -23.351 1.00 8.32 C ATOM 932 C VAL A 111 -27.899 -3.278 -23.918 1.00 8.88 C ATOM 933 O VAL A 111 -27.252 -3.664 -24.896 1.00 9.62 O ATOM 934 CB VAL A 111 -28.484 -5.268 -22.509 1.00 10.90 C ATOM 935 CG1 VAL A 111 -27.272 -4.821 -21.685 1.00 13.25 C ATOM 936 CG2 VAL A 111 -29.556 -5.819 -21.613 1.00 14.51 C ATOM 937 H VAL A 111 -30.086 -5.642 -24.462 1.00 0.00 H ATOM 938 N HIS A 112 -27.643 -2.132 -23.286 1.00 9.43 N ATOM 939 CA HIS A 112 -26.580 -1.244 -23.733 1.00 9.43 C ATOM 940 C HIS A 112 -25.997 -0.486 -22.549 1.00 8.69 C ATOM 941 O HIS A 112 -26.722 -0.066 -21.640 1.00 10.74 O ATOM 942 CB HIS A 112 -27.035 -0.282 -24.845 1.00 10.59 C ATOM 943 CG HIS A 112 -28.282 0.486 -24.534 1.00 10.87 C ATOM 944 ND1 HIS A 112 -29.534 -0.092 -24.529 1.00 10.90 N ATOM 945 CD2 HIS A 112 -28.473 1.801 -24.270 1.00 11.54 C ATOM 946 CE1 HIS A 112 -30.440 0.830 -24.250 1.00 10.84 C ATOM 947 NE2 HIS A 112 -29.821 1.984 -24.077 1.00 12.84 N ATOM 948 H HIS A 112 -28.214 -1.868 -22.458 1.00 0.00 H ATOM 949 N LEU A 113 -24.685 -0.317 -22.578 1.00 7.56 N ATOM 950 CA LEU A 113 -23.963 0.484 -21.602 1.00 7.50 C ATOM 951 C LEU A 113 -23.568 1.806 -22.254 1.00 7.11 C ATOM 952 O LEU A 113 -22.824 1.810 -23.243 1.00 8.72 O ATOM 953 CB LEU A 113 -22.704 -0.274 -21.181 1.00 9.36 C ATOM 954 CG LEU A 113 -21.772 0.397 -20.177 1.00 10.63 C ATOM 955 CD1 LEU A 113 -22.415 0.436 -18.805 1.00 13.05 C ATOM 956 CD2 LEU A 113 -20.422 -0.322 -20.145 1.00 13.61 C ATOM 957 H LEU A 113 -24.143 -0.780 -23.336 1.00 0.00 H ATOM 958 N HIS A 114 -24.063 2.923 -21.714 1.00 7.47 N ATOM 959 CA HIS A 114 -23.619 4.243 -22.153 1.00 7.01 C ATOM 960 C HIS A 114 -22.294 4.557 -21.483 1.00 6.68 C ATOM 961 O HIS A 114 -22.102 4.259 -20.303 1.00 7.86 O ATOM 962 CB HIS A 114 -24.587 5.324 -21.675 1.00 8.59 C ATOM 963 CG HIS A 114 -25.962 5.253 -22.254 1.00 7.58 C ATOM 964 ND1 HIS A 114 -26.357 6.026 -23.326 1.00 9.28 N ATOM 965 CD2 HIS A 114 -27.057 4.562 -21.862 1.00 9.00 C ATOM 966 CE1 HIS A 114 -27.629 5.782 -23.588 1.00 9.40 C ATOM 967 NE2 HIS A 114 -28.077 4.899 -22.714 1.00 9.54 N ATOM 968 H HIS A 114 -24.780 2.851 -20.964 1.00 0.00 H ATOM 969 N VAL A 115 -21.396 5.207 -22.215 1.00 7.20 N ATOM 970 CA VAL A 115 -20.170 5.756 -21.647 1.00 7.49 C ATOM 971 C VAL A 115 -20.079 7.205 -22.099 1.00 8.00 C ATOM 972 O VAL A 115 -20.056 7.477 -23.308 1.00 7.91 O ATOM 973 CB VAL A 115 -18.927 4.968 -22.088 1.00 8.34 C ATOM 974 CG1 VAL A 115 -17.688 5.523 -21.390 1.00 10.16 C ATOM 975 CG2 VAL A 115 -19.091 3.481 -21.785 1.00 10.68 C ATOM 976 H VAL A 115 -21.574 5.329 -23.232 1.00 0.00 H ATOM 977 N LEU A 116 -20.040 8.136 -21.140 1.00 7.24 N ATOM 978 CA LEU A 116 -20.071 9.569 -21.415 1.00 7.94 C ATOM 979 C LEU A 116 -18.866 10.236 -20.772 1.00 7.93 C ATOM 980 O LEU A 116 -18.559 9.987 -19.603 1.00 8.17 O ATOM 981 CB LEU A 116 -21.331 10.216 -20.811 1.00 8.71 C ATOM 982 CG LEU A 116 -22.679 9.631 -21.247 1.00 10.54 C ATOM 983 CD1 LEU A 116 -23.213 8.629 -20.237 1.00 11.72 C ATOM 984 CD2 LEU A 116 -23.689 10.741 -21.500 1.00 12.68 C ATOM 985 H LEU A 116 -19.985 7.824 -20.150 1.00 0.00 H ATOM 986 N GLY A 117 -18.213 11.119 -21.512 1.00 7.95 N ATOM 987 CA GLY A 117 -17.129 11.864 -20.923 1.00 9.51 C ATOM 988 C GLY A 117 -16.765 13.062 -21.770 1.00 8.42 C ATOM 989 O GLY A 117 -17.466 13.419 -22.720 1.00 8.96 O ATOM 990 H GLY A 117 -18.479 11.273 -22.506 1.00 0.00 H ATOM 991 N GLY A 118 -15.633 13.668 -21.418 1.00 8.96 N ATOM 992 CA GLY A 118 -15.182 14.866 -22.091 1.00 10.48 C ATOM 993 C GLY A 118 -15.756 16.149 -21.536 1.00 8.73 C ATOM 994 O GLY A 118 -15.489 17.224 -22.096 1.00 10.76 O ATOM 995 H GLY A 118 -15.062 13.272 -20.644 1.00 0.00 H ATOM 996 N ARG A 119 -16.561 16.069 -20.478 1.00 9.04 N ATOM 997 CA ARG A 119 -17.009 17.231 -19.726 1.00 10.05 C ATOM 998 C ARG A 119 -17.258 16.771 -18.299 1.00 8.76 C ATOM 999 O ARG A 119 -17.298 15.570 -18.009 1.00 9.21 O ATOM 1000 CB ARG A 119 -18.305 17.815 -20.302 1.00 10.23 C ATOM 1001 CG ARG A 119 -19.524 16.877 -20.189 1.00 11.30 C ATOM 1002 CD ARG A 119 -20.825 17.619 -20.490 1.00 11.73 C ATOM 1003 NE ARG A 119 -22.011 16.761 -20.568 1.00 11.51 N ATOM 1004 CZ ARG A 119 -22.781 16.423 -19.535 1.00 10.84 C ATOM 1005 NH1 ARG A 119 -22.485 16.827 -18.304 1.00 11.44 N ATOM 1006 NH2 ARG A 119 -23.854 15.672 -19.726 1.00 12.37 N ATOM 1007 HE ARG A 119 -22.272 16.387 -21.503 1.00 0.00 H ATOM 1008 HH12 ARG A 119 -23.095 16.556 -17.507 1.00 0.00 H ATOM 1009 HH11 ARG A 119 -21.643 17.415 -18.138 1.00 0.00 H ATOM 1010 HH22 ARG A 119 -24.455 15.409 -18.919 1.00 0.00 H ATOM 1011 HH21 ARG A 119 -24.096 15.345 -20.683 1.00 0.00 H ATOM 1012 H ARG A 119 -16.886 15.129 -20.174 1.00 0.00 H ATOM 1013 N GLN A 120 -17.416 17.737 -17.398 1.00 9.33 N ATOM 1014 CA GLN A 120 -17.805 17.418 -16.031 1.00 9.66 C ATOM 1015 C GLN A 120 -19.221 16.860 -16.030 1.00 10.39 C ATOM 1016 O GLN A 120 -20.153 17.498 -16.528 1.00 10.11 O ATOM 1017 CB GLN A 120 -17.747 18.667 -15.160 1.00 9.85 C ATOM 1018 CG GLN A 120 -18.150 18.408 -13.706 1.00 11.19 C ATOM 1019 CD GLN A 120 -17.152 17.525 -12.998 1.00 11.56 C ATOM 1020 OE1 GLN A 120 -16.009 17.922 -12.794 1.00 12.95 O ATOM 1021 NE2 GLN A 120 -17.561 16.306 -12.651 1.00 11.10 N ATOM 1022 HE22 GLN A 120 -18.540 16.011 -12.843 1.00 0.00 H ATOM 1023 HE21 GLN A 120 -16.902 15.649 -12.188 1.00 0.00 H ATOM 1024 H GLN A 120 -17.260 18.728 -17.672 1.00 0.00 H ATOM 1025 N MET A 121 -19.382 15.660 -15.485 1.00 9.09 N ATOM 1026 CA MET A 121 -20.707 15.109 -15.269 1.00 9.24 C ATOM 1027 C MET A 121 -21.209 15.550 -13.899 1.00 9.33 C ATOM 1028 O MET A 121 -20.429 15.686 -12.949 1.00 10.23 O ATOM 1029 CB MET A 121 -20.661 13.582 -15.353 1.00 9.06 C ATOM 1030 CG MET A 121 -20.047 13.070 -16.663 1.00 10.41 C ATOM 1031 SD MET A 121 -20.948 13.551 -18.162 1.00 11.08 S ATOM 1032 CE MET A 121 -22.495 12.673 -17.895 1.00 13.95 C ATOM 1033 H MET A 121 -18.546 15.107 -15.209 1.00 0.00 H ATOM 1034 N HIS A 122 -22.515 15.758 -13.795 1.00 9.12 N ATOM 1035 CA HIS A 122 -23.136 16.341 -12.613 1.00 10.21 C ATOM 1036 C HIS A 122 -23.901 15.295 -11.810 1.00 9.93 C ATOM 1037 O HIS A 122 -24.164 14.183 -12.274 1.00 9.60 O ATOM 1038 CB HIS A 122 -24.087 17.465 -13.026 1.00 11.01 C ATOM 1039 CG HIS A 122 -23.427 18.540 -13.829 1.00 12.79 C ATOM 1040 ND1 HIS A 122 -24.026 19.129 -14.921 1.00 21.71 N ATOM 1041 CD2 HIS A 122 -22.212 19.122 -13.708 1.00 12.48 C ATOM 1042 CE1 HIS A 122 -23.212 20.039 -15.428 1.00 23.57 C ATOM 1043 NE2 HIS A 122 -22.104 20.055 -14.709 1.00 15.21 N ATOM 1044 H HIS A 122 -23.124 15.492 -14.595 1.00 0.00 H ATOM 1045 N TRP A 123 -24.292 15.675 -10.596 1.00 9.76 N ATOM 1046 CA TRP A 123 -25.034 14.791 -9.708 1.00 10.60 C ATOM 1047 C TRP A 123 -26.305 15.535 -9.321 1.00 11.01 C ATOM 1048 O TRP A 123 -26.248 16.738 -9.074 1.00 13.70 O ATOM 1049 CB TRP A 123 -24.193 14.468 -8.473 1.00 10.81 C ATOM 1050 CG TRP A 123 -24.530 13.171 -7.815 1.00 10.77 C ATOM 1051 CD1 TRP A 123 -25.009 12.994 -6.550 1.00 11.30 C ATOM 1052 CD2 TRP A 123 -24.402 11.863 -8.385 1.00 10.43 C ATOM 1053 NE1 TRP A 123 -25.189 11.658 -6.302 1.00 12.35 N ATOM 1054 CE2 TRP A 123 -24.823 10.940 -7.410 1.00 10.67 C ATOM 1055 CE3 TRP A 123 -23.965 11.386 -9.625 1.00 11.28 C ATOM 1056 CZ2 TRP A 123 -24.825 9.567 -7.635 1.00 11.28 C ATOM 1057 CZ3 TRP A 123 -23.971 10.028 -9.851 1.00 10.51 C ATOM 1058 CH2 TRP A 123 -24.394 9.132 -8.859 1.00 11.60 C ATOM 1059 HE1 TRP A 123 -25.547 11.253 -5.413 1.00 0.00 H ATOM 1060 H TRP A 123 -24.060 16.635 -10.271 1.00 0.00 H ATOM 1061 N PRO A 124 -27.466 14.867 -9.292 1.00 10.84 N ATOM 1062 CA PRO A 124 -27.701 13.448 -9.564 1.00 10.00 C ATOM 1063 C PRO A 124 -27.542 13.094 -11.039 1.00 8.78 C ATOM 1064 O PRO A 124 -27.560 13.980 -11.894 1.00 9.42 O ATOM 1065 CB PRO A 124 -29.155 13.257 -9.114 1.00 11.17 C ATOM 1066 CG PRO A 124 -29.784 14.579 -9.341 1.00 14.50 C ATOM 1067 CD PRO A 124 -28.720 15.574 -8.977 1.00 13.93 C ATOM 1068 N PRO A 125 -27.401 11.805 -11.339 1.00 9.16 N ATOM 1069 CA PRO A 125 -27.231 11.365 -12.734 1.00 9.28 C ATOM 1070 C PRO A 125 -28.573 11.271 -13.448 1.00 9.14 C ATOM 1071 O PRO A 125 -29.009 10.191 -13.874 1.00 10.32 O ATOM 1072 CB PRO A 125 -26.563 9.996 -12.555 1.00 9.91 C ATOM 1073 CG PRO A 125 -27.207 9.466 -11.313 1.00 10.91 C ATOM 1074 CD PRO A 125 -27.393 10.665 -10.403 1.00 9.24 C ATOM 1075 N GLY A 126 -29.235 12.413 -13.592 1.00 11.07 N ATOM 1076 CA GLY A 126 -30.610 12.440 -14.049 1.00 11.69 C ATOM 1077 C GLY A 126 -31.566 12.233 -12.894 1.00 12.86 C ATOM 1078 O GLY A 126 -32.754 11.980 -13.103 1.00 13.08 O ATOM 1079 OXT GLY A 126 -31.167 12.310 -11.719 1.00 15.25 O ATOM 1080 H GLY A 126 -28.755 13.309 -13.372 1.00 0.00 H TER 1081 GLY A 126 ATOM 1082 N GLY B 15 -5.232 3.096 -0.995 1.00 40.41 N ATOM 1083 CA GLY B 15 -5.507 3.310 0.413 1.00 33.27 C ATOM 1084 C GLY B 15 -6.933 2.975 0.809 1.00 23.19 C ATOM 1085 O GLY B 15 -7.822 2.917 -0.043 1.00 24.53 O ATOM 1086 HN3 GLY B 15 -5.863 3.695 -1.565 1.00 0.00 H ATOM 1087 HN2 GLY B 15 -5.395 2.096 -1.231 1.00 0.00 H ATOM 1088 HN1 GLY B 15 -4.242 3.344 -1.195 1.00 0.00 H ATOM 1089 N ASP B 16 -7.145 2.770 2.108 1.00 22.58 N ATOM 1090 CA ASP B 16 -8.461 2.414 2.621 1.00 21.27 C ATOM 1091 C ASP B 16 -9.462 3.534 2.358 1.00 15.59 C ATOM 1092 O ASP B 16 -9.095 4.705 2.208 1.00 16.47 O ATOM 1093 CB ASP B 16 -8.373 2.152 4.124 1.00 20.31 C ATOM 1094 CG ASP B 16 -9.623 1.499 4.682 1.00 19.94 C ATOM 1095 OD1 ASP B 16 -10.214 0.645 3.987 1.00 18.58 O ATOM 1096 OD2 ASP B 16 -10.011 1.836 5.820 1.00 22.78 O ATOM 1097 H ASP B 16 -6.351 2.867 2.773 1.00 0.00 H ATOM 1098 N THR B 17 -10.738 3.164 2.281 1.00 12.80 N ATOM 1099 CA THR B 17 -11.820 4.122 2.096 1.00 11.67 C ATOM 1100 C THR B 17 -12.944 3.810 3.069 1.00 10.23 C ATOM 1101 O THR B 17 -12.969 2.759 3.721 1.00 10.47 O ATOM 1102 CB THR B 17 -12.417 4.077 0.677 1.00 11.24 C ATOM 1103 OG1 THR B 17 -13.198 2.881 0.522 1.00 12.21 O ATOM 1104 CG2 THR B 17 -11.332 4.127 -0.388 1.00 13.04 C ATOM 1105 HG1 THR B 17 -12.619 2.090 0.662 1.00 0.00 H ATOM 1106 H THR B 17 -10.972 2.153 2.356 1.00 0.00 H ATOM 1107 N ILE B 18 -13.921 4.714 3.106 1.00 9.31 N ATOM 1108 CA ILE B 18 -15.096 4.504 3.935 1.00 9.86 C ATOM 1109 C ILE B 18 -15.860 3.251 3.508 1.00 9.24 C ATOM 1110 O ILE B 18 -16.511 2.605 4.341 1.00 9.40 O ATOM 1111 CB ILE B 18 -15.963 5.779 3.935 1.00 10.33 C ATOM 1112 CG1 ILE B 18 -17.023 5.684 5.025 1.00 12.20 C ATOM 1113 CG2 ILE B 18 -16.571 6.020 2.558 1.00 11.81 C ATOM 1114 CD1 ILE B 18 -17.492 7.032 5.520 1.00 12.76 C ATOM 1115 H ILE B 18 -13.842 5.580 2.535 1.00 0.00 H ATOM 1116 N PHE B 19 -15.811 2.887 2.221 1.00 8.91 N ATOM 1117 CA PHE B 19 -16.462 1.648 1.798 1.00 9.08 C ATOM 1118 C PHE B 19 -15.735 0.414 2.340 1.00 9.55 C ATOM 1119 O PHE B 19 -16.374 -0.611 2.624 1.00 9.50 O ATOM 1120 CB PHE B 19 -16.607 1.596 0.272 1.00 9.88 C ATOM 1121 CG PHE B 19 -17.619 2.578 -0.292 1.00 9.39 C ATOM 1122 CD1 PHE B 19 -18.463 3.294 0.540 1.00 9.11 C ATOM 1123 CD2 PHE B 19 -17.722 2.767 -1.665 1.00 9.38 C ATOM 1124 CE1 PHE B 19 -19.381 4.194 0.012 1.00 9.40 C ATOM 1125 CE2 PHE B 19 -18.644 3.664 -2.190 1.00 11.10 C ATOM 1126 CZ PHE B 19 -19.469 4.371 -1.353 1.00 10.66 C ATOM 1127 H PHE B 19 -15.314 3.481 1.527 1.00 0.00 H ATOM 1128 N GLY B 20 -14.408 0.486 2.489 1.00 9.75 N ATOM 1129 CA GLY B 20 -13.698 -0.564 3.202 1.00 11.01 C ATOM 1130 C GLY B 20 -14.180 -0.712 4.630 1.00 10.42 C ATOM 1131 O GLY B 20 -14.369 -1.830 5.118 1.00 11.47 O ATOM 1132 H GLY B 20 -13.884 1.293 2.095 1.00 0.00 H ATOM 1133 N LYS B 21 -14.388 0.410 5.322 1.00 10.53 N ATOM 1134 CA LYS B 21 -14.913 0.346 6.681 1.00 10.53 C ATOM 1135 C LYS B 21 -16.296 -0.285 6.712 1.00 10.32 C ATOM 1136 O LYS B 21 -16.619 -1.037 7.640 1.00 10.21 O ATOM 1137 CB LYS B 21 -14.959 1.745 7.290 1.00 11.17 C ATOM 1138 CG LYS B 21 -13.606 2.369 7.552 1.00 13.78 C ATOM 1139 CD LYS B 21 -13.772 3.774 8.122 1.00 17.08 C ATOM 1140 CE LYS B 21 -12.466 4.337 8.653 1.00 23.24 C ATOM 1141 NZ LYS B 21 -12.082 3.707 9.946 1.00 32.00 N ATOM 1142 HZ1 LYS B 21 -12.826 3.883 10.651 1.00 0.00 H ATOM 1143 HZ2 LYS B 21 -11.967 2.682 9.810 1.00 0.00 H ATOM 1144 HZ3 LYS B 21 -11.185 4.117 10.277 1.00 0.00 H ATOM 1145 H LYS B 21 -14.175 1.332 4.891 1.00 0.00 H ATOM 1146 N ILE B 22 -17.125 0.007 5.710 1.00 9.05 N ATOM 1147 CA ILE B 22 -18.456 -0.581 5.660 1.00 9.65 C ATOM 1148 C ILE B 22 -18.373 -2.090 5.447 1.00 9.02 C ATOM 1149 O ILE B 22 -19.049 -2.860 6.142 1.00 9.66 O ATOM 1150 CB ILE B 22 -19.310 0.132 4.600 1.00 9.17 C ATOM 1151 CG1 ILE B 22 -19.661 1.549 5.078 1.00 10.58 C ATOM 1152 CG2 ILE B 22 -20.554 -0.672 4.282 1.00 10.60 C ATOM 1153 CD1 ILE B 22 -20.371 2.405 4.025 1.00 11.14 C ATOM 1154 H ILE B 22 -16.819 0.659 4.959 1.00 0.00 H ATOM 1155 N ILE B 23 -17.504 -2.536 4.535 1.00 8.52 N ATOM 1156 CA ILE B 23 -17.307 -3.966 4.297 1.00 9.50 C ATOM 1157 C ILE B 23 -16.842 -4.664 5.567 1.00 10.14 C ATOM 1158 O ILE B 23 -17.270 -5.788 5.868 1.00 10.47 O ATOM 1159 CB ILE B 23 -16.305 -4.177 3.147 1.00 10.58 C ATOM 1160 CG1 ILE B 23 -16.909 -3.778 1.803 1.00 10.88 C ATOM 1161 CG2 ILE B 23 -15.817 -5.633 3.090 1.00 12.46 C ATOM 1162 CD1 ILE B 23 -15.865 -3.619 0.731 1.00 12.38 C ATOM 1163 H ILE B 23 -16.954 -1.849 3.981 1.00 0.00 H ATOM 1164 N ARG B 24 -15.942 -4.034 6.313 1.00 9.26 N ATOM 1165 CA ARG B 24 -15.395 -4.623 7.527 1.00 8.87 C ATOM 1166 C ARG B 24 -16.336 -4.504 8.714 1.00 9.65 C ATOM 1167 O ARG B 24 -16.002 -4.994 9.801 1.00 10.44 O ATOM 1168 CB ARG B 24 -14.031 -4.001 7.835 1.00 10.21 C ATOM 1169 CG ARG B 24 -12.990 -4.313 6.763 1.00 12.15 C ATOM 1170 CD ARG B 24 -11.578 -3.946 7.192 1.00 13.40 C ATOM 1171 NE ARG B 24 -11.480 -2.552 7.620 1.00 14.23 N ATOM 1172 CZ ARG B 24 -11.204 -1.530 6.815 1.00 16.36 C ATOM 1173 NH1 ARG B 24 -10.983 -1.740 5.526 1.00 15.38 N ATOM 1174 NH2 ARG B 24 -11.153 -0.298 7.304 1.00 17.66 N ATOM 1175 HE ARG B 24 -11.637 -2.344 8.627 1.00 0.00 H ATOM 1176 HH12 ARG B 24 -10.767 -0.939 4.898 1.00 0.00 H ATOM 1177 HH11 ARG B 24 -11.025 -2.705 5.142 1.00 0.00 H ATOM 1178 HH22 ARG B 24 -10.937 0.502 6.676 1.00 0.00 H ATOM 1179 HH21 ARG B 24 -11.329 -0.132 8.316 1.00 0.00 H ATOM 1180 H ARG B 24 -15.618 -3.090 6.021 1.00 0.00 H ATOM 1181 N LYS B 25 -17.500 -3.879 8.529 1.00 9.07 N ATOM 1182 CA LYS B 25 -18.533 -3.717 9.547 1.00 8.88 C ATOM 1183 C LYS B 25 -18.105 -2.753 10.645 1.00 10.46 C ATOM 1184 O LYS B 25 -18.652 -2.776 11.752 1.00 11.88 O ATOM 1185 CB LYS B 25 -19.056 -5.057 10.102 1.00 10.34 C ATOM 1186 CG LYS B 25 -19.392 -6.087 9.020 1.00 10.98 C ATOM 1187 CD LYS B 25 -20.449 -5.567 8.051 1.00 12.91 C ATOM 1188 CE LYS B 25 -20.616 -6.495 6.849 1.00 13.33 C ATOM 1189 NZ LYS B 25 -21.008 -7.886 7.220 1.00 15.41 N ATOM 1190 HZ1 LYS B 25 -20.277 -8.299 7.833 1.00 0.00 H ATOM 1191 HZ2 LYS B 25 -21.916 -7.866 7.727 1.00 0.00 H ATOM 1192 HZ3 LYS B 25 -21.103 -8.460 6.358 1.00 0.00 H ATOM 1193 H LYS B 25 -17.685 -3.477 7.588 1.00 0.00 H ATOM 1194 N GLU B 26 -17.124 -1.901 10.352 1.00 10.29 N ATOM 1195 CA GLU B 26 -16.621 -0.951 11.335 1.00 11.31 C ATOM 1196 C GLU B 26 -17.514 0.272 11.489 1.00 12.76 C ATOM 1197 O GLU B 26 -17.465 0.935 12.533 1.00 15.10 O ATOM 1198 CB GLU B 26 -15.208 -0.509 10.959 1.00 12.69 C ATOM 1199 CG GLU B 26 -14.174 -1.626 11.025 1.00 14.41 C ATOM 1200 CD GLU B 26 -12.861 -1.234 10.386 1.00 15.80 C ATOM 1201 OE1 GLU B 26 -12.751 -0.078 9.922 1.00 19.75 O ATOM 1202 OE2 GLU B 26 -11.938 -2.076 10.330 1.00 16.97 O ATOM 1203 H GLU B 26 -16.707 -1.914 9.399 1.00 0.00 H ATOM 1204 N ILE B 27 -18.302 0.611 10.478 1.00 12.24 N ATOM 1205 CA ILE B 27 -19.298 1.670 10.639 1.00 16.10 C ATOM 1206 C ILE B 27 -20.621 1.143 10.104 1.00 14.12 C ATOM 1207 O ILE B 27 -20.627 0.223 9.272 1.00 16.23 O ATOM 1208 CB ILE B 27 -18.888 2.976 9.938 1.00 15.27 C ATOM 1209 CG1 ILE B 27 -18.791 2.768 8.434 1.00 12.20 C ATOM 1210 CG2 ILE B 27 -17.590 3.529 10.515 1.00 17.42 C ATOM 1211 CD1 ILE B 27 -18.757 4.055 7.666 1.00 16.90 C ATOM 1212 H ILE B 27 -18.211 0.121 9.565 1.00 0.00 H ATOM 1213 N PRO B 28 -21.752 1.660 10.556 1.00 14.76 N ATOM 1214 CA PRO B 28 -23.029 1.097 10.122 1.00 16.18 C ATOM 1215 C PRO B 28 -23.388 1.494 8.701 1.00 13.60 C ATOM 1216 O PRO B 28 -22.984 2.539 8.180 1.00 13.35 O ATOM 1217 CB PRO B 28 -24.031 1.683 11.125 1.00 20.63 C ATOM 1218 CG PRO B 28 -23.387 2.932 11.621 1.00 22.47 C ATOM 1219 CD PRO B 28 -21.917 2.648 11.637 1.00 18.59 C ATOM 1220 N ALA B 29 -24.163 0.616 8.079 1.00 12.31 N ATOM 1221 CA ALA B 29 -24.803 0.868 6.800 1.00 12.43 C ATOM 1222 C ALA B 29 -26.062 0.015 6.764 1.00 11.45 C ATOM 1223 O ALA B 29 -26.137 -1.013 7.444 1.00 13.75 O ATOM 1224 CB ALA B 29 -23.881 0.488 5.636 1.00 14.29 C ATOM 1225 H ALA B 29 -24.322 -0.306 8.533 1.00 0.00 H ATOM 1226 N LYS B 30 -27.053 0.435 5.981 1.00 11.63 N ATOM 1227 CA LYS B 30 -28.278 -0.352 5.844 1.00 12.86 C ATOM 1228 C LYS B 30 -28.061 -1.363 4.726 1.00 11.31 C ATOM 1229 O LYS B 30 -28.237 -1.054 3.543 1.00 11.42 O ATOM 1230 CB LYS B 30 -29.504 0.519 5.592 1.00 14.67 C ATOM 1231 CG LYS B 30 -30.768 -0.331 5.459 1.00 28.24 C ATOM 1232 CD LYS B 30 -32.057 0.437 5.694 1.00 27.84 C ATOM 1233 CE LYS B 30 -33.250 -0.511 5.606 1.00 35.06 C ATOM 1234 NZ LYS B 30 -34.544 0.149 5.927 1.00 44.27 N ATOM 1235 HZ1 LYS B 30 -34.509 0.524 6.896 1.00 0.00 H ATOM 1236 HZ2 LYS B 30 -34.710 0.928 5.258 1.00 0.00 H ATOM 1237 HZ3 LYS B 30 -35.314 -0.545 5.850 1.00 0.00 H ATOM 1238 H LYS B 30 -26.955 1.331 5.462 1.00 0.00 H ATOM 1239 N ILE B 31 -27.682 -2.571 5.113 1.00 11.79 N ATOM 1240 CA ILE B 31 -27.283 -3.605 4.170 1.00 12.11 C ATOM 1241 C ILE B 31 -28.520 -4.267 3.587 1.00 12.82 C ATOM 1242 O ILE B 31 -29.437 -4.662 4.319 1.00 15.00 O ATOM 1243 CB ILE B 31 -26.370 -4.627 4.861 1.00 13.22 C ATOM 1244 CG1 ILE B 31 -25.070 -3.937 5.282 1.00 15.77 C ATOM 1245 CG2 ILE B 31 -26.102 -5.808 3.939 1.00 12.82 C ATOM 1246 CD1 ILE B 31 -24.108 -4.835 6.030 1.00 22.72 C ATOM 1247 H ILE B 31 -27.669 -2.789 6.130 1.00 0.00 H ATOM 1248 N ILE B 32 -28.549 -4.379 2.262 1.00 11.23 N ATOM 1249 CA ILE B 32 -29.635 -5.027 1.538 1.00 11.38 C ATOM 1250 C ILE B 32 -29.308 -6.481 1.258 1.00 12.72 C ATOM 1251 O ILE B 32 -30.182 -7.348 1.345 1.00 14.51 O ATOM 1252 CB ILE B 32 -29.866 -4.260 0.220 1.00 11.47 C ATOM 1253 CG1 ILE B 32 -30.276 -2.822 0.517 1.00 10.94 C ATOM 1254 CG2 ILE B 32 -30.894 -4.972 -0.676 1.00 13.64 C ATOM 1255 CD1 ILE B 32 -30.004 -1.884 -0.624 1.00 12.42 C ATOM 1256 H ILE B 32 -27.757 -3.984 1.715 1.00 0.00 H ATOM 1257 N PHE B 33 -28.055 -6.751 0.900 1.00 10.27 N ATOM 1258 CA PHE B 33 -27.637 -8.079 0.483 1.00 10.07 C ATOM 1259 C PHE B 33 -26.133 -8.183 0.663 1.00 9.05 C ATOM 1260 O PHE B 33 -25.402 -7.202 0.485 1.00 10.25 O ATOM 1261 CB PHE B 33 -27.993 -8.331 -0.984 1.00 12.80 C ATOM 1262 CG PHE B 33 -27.500 -9.653 -1.496 1.00 12.59 C ATOM 1263 CD1 PHE B 33 -26.350 -9.729 -2.261 1.00 11.25 C ATOM 1264 CD2 PHE B 33 -28.162 -10.827 -1.173 1.00 15.11 C ATOM 1265 CE1 PHE B 33 -25.881 -10.953 -2.715 1.00 13.87 C ATOM 1266 CE2 PHE B 33 -27.694 -12.057 -1.632 1.00 16.53 C ATOM 1267 CZ PHE B 33 -26.557 -12.110 -2.402 1.00 15.59 C ATOM 1268 H PHE B 33 -27.351 -5.986 0.919 1.00 0.00 H ATOM 1269 N GLU B 34 -25.674 -9.384 0.998 1.00 9.99 N ATOM 1270 CA GLU B 34 -24.252 -9.658 1.081 1.00 8.13 C ATOM 1271 C GLU B 34 -24.006 -11.072 0.576 1.00 8.25 C ATOM 1272 O GLU B 34 -24.853 -11.959 0.749 1.00 9.77 O ATOM 1273 CB GLU B 34 -23.744 -9.498 2.532 1.00 9.58 C ATOM 1274 CG GLU B 34 -22.248 -9.635 2.690 1.00 10.65 C ATOM 1275 CD GLU B 34 -21.735 -9.204 4.064 1.00 10.70 C ATOM 1276 OE1 GLU B 34 -22.551 -8.847 4.936 1.00 14.27 O ATOM 1277 OE2 GLU B 34 -20.506 -9.226 4.247 1.00 13.38 O ATOM 1278 H GLU B 34 -26.351 -10.146 1.206 1.00 0.00 H ATOM 1279 N ASP B 35 -22.849 -11.282 -0.041 1.00 7.49 N ATOM 1280 CA ASP B 35 -22.356 -12.633 -0.295 1.00 8.07 C ATOM 1281 C ASP B 35 -20.860 -12.652 0.002 1.00 8.76 C ATOM 1282 O ASP B 35 -20.340 -11.783 0.712 1.00 9.47 O ATOM 1283 CB ASP B 35 -22.832 -13.194 -1.651 1.00 9.27 C ATOM 1284 CG ASP B 35 -22.252 -12.471 -2.855 1.00 9.34 C ATOM 1285 OD1 ASP B 35 -21.229 -11.767 -2.714 1.00 9.48 O ATOM 1286 OD2 ASP B 35 -22.840 -12.636 -3.953 1.00 10.27 O ATOM 1287 H ASP B 35 -22.282 -10.467 -0.350 1.00 0.00 H ATOM 1288 N ASP B 36 -20.148 -13.661 -0.505 1.00 8.27 N ATOM 1289 CA ASP B 36 -18.719 -13.766 -0.230 1.00 8.75 C ATOM 1290 C ASP B 36 -17.882 -12.757 -1.013 1.00 9.59 C ATOM 1291 O ASP B 36 -16.691 -12.610 -0.719 1.00 10.71 O ATOM 1292 CB ASP B 36 -18.228 -15.197 -0.480 1.00 9.15 C ATOM 1293 CG ASP B 36 -18.356 -15.614 -1.926 1.00 10.52 C ATOM 1294 OD1 ASP B 36 -19.133 -14.988 -2.677 1.00 9.71 O ATOM 1295 OD2 ASP B 36 -17.683 -16.604 -2.302 1.00 11.42 O ATOM 1296 H ASP B 36 -20.614 -14.376 -1.099 1.00 0.00 H ATOM 1297 N ARG B 37 -18.459 -12.067 -1.999 1.00 8.65 N ATOM 1298 CA ARG B 37 -17.659 -11.241 -2.894 1.00 8.83 C ATOM 1299 C ARG B 37 -18.213 -9.843 -3.147 1.00 8.28 C ATOM 1300 O ARG B 37 -17.573 -9.070 -3.866 1.00 9.46 O ATOM 1301 CB ARG B 37 -17.394 -11.985 -4.216 1.00 9.95 C ATOM 1302 CG ARG B 37 -18.637 -12.290 -5.030 1.00 10.42 C ATOM 1303 CD ARG B 37 -18.381 -13.406 -6.025 1.00 11.17 C ATOM 1304 NE ARG B 37 -18.153 -14.667 -5.317 1.00 10.48 N ATOM 1305 CZ ARG B 37 -17.708 -15.788 -5.885 1.00 11.11 C ATOM 1306 NH1 ARG B 37 -17.409 -15.801 -7.175 1.00 13.66 N ATOM 1307 NH2 ARG B 37 -17.538 -16.887 -5.160 1.00 11.48 N ATOM 1308 HE ARG B 37 -18.353 -14.690 -4.297 1.00 0.00 H ATOM 1309 HH12 ARG B 37 -17.062 -16.675 -7.620 1.00 0.00 H ATOM 1310 HH11 ARG B 37 -17.521 -14.937 -7.744 1.00 0.00 H ATOM 1311 HH22 ARG B 37 -17.191 -17.758 -5.610 1.00 0.00 H ATOM 1312 HH21 ARG B 37 -17.752 -16.877 -4.142 1.00 0.00 H ATOM 1313 H ARG B 37 -19.489 -12.119 -2.130 1.00 0.00 H ATOM 1314 N CYS B 38 -19.359 -9.494 -2.574 1.00 7.40 N ATOM 1315 CA CYS B 38 -19.900 -8.156 -2.775 1.00 7.48 C ATOM 1316 C CYS B 38 -20.874 -7.829 -1.656 1.00 7.54 C ATOM 1317 O CYS B 38 -21.255 -8.687 -0.850 1.00 8.98 O ATOM 1318 CB CYS B 38 -20.590 -8.024 -4.134 1.00 8.94 C ATOM 1319 SG CYS B 38 -22.193 -8.855 -4.279 1.00 10.12 S ATOM 1320 H CYS B 38 -19.872 -10.177 -1.980 1.00 0.00 H ATOM 1321 N LEU B 39 -21.263 -6.557 -1.623 1.00 7.93 N ATOM 1322 CA LEU B 39 -22.157 -6.037 -0.609 1.00 8.53 C ATOM 1323 C LEU B 39 -23.028 -4.972 -1.253 1.00 8.12 C ATOM 1324 O LEU B 39 -22.525 -4.132 -2.005 1.00 9.34 O ATOM 1325 CB LEU B 39 -21.329 -5.389 0.509 1.00 12.33 C ATOM 1326 CG LEU B 39 -22.059 -4.870 1.745 1.00 10.36 C ATOM 1327 CD1 LEU B 39 -22.587 -6.036 2.562 1.00 12.86 C ATOM 1328 CD2 LEU B 39 -21.131 -4.007 2.584 1.00 13.48 C ATOM 1329 H LEU B 39 -20.910 -5.909 -2.356 1.00 0.00 H ATOM 1330 N ALA B 40 -24.324 -4.987 -0.949 1.00 8.39 N ATOM 1331 CA ALA B 40 -25.256 -3.967 -1.419 1.00 9.74 C ATOM 1332 C ALA B 40 -25.860 -3.263 -0.215 1.00 8.29 C ATOM 1333 O ALA B 40 -26.264 -3.927 0.750 1.00 9.84 O ATOM 1334 CB ALA B 40 -26.373 -4.588 -2.255 1.00 9.84 C ATOM 1335 H ALA B 40 -24.687 -5.757 -0.352 1.00 0.00 H ATOM 1336 N PHE B 41 -25.907 -1.931 -0.256 1.00 8.49 N ATOM 1337 CA PHE B 41 -26.377 -1.154 0.881 1.00 9.17 C ATOM 1338 C PHE B 41 -26.928 0.172 0.384 1.00 8.72 C ATOM 1339 O PHE B 41 -26.532 0.676 -0.671 1.00 9.04 O ATOM 1340 CB PHE B 41 -25.269 -0.944 1.933 1.00 9.97 C ATOM 1341 CG PHE B 41 -24.023 -0.300 1.392 1.00 9.32 C ATOM 1342 CD1 PHE B 41 -23.829 1.070 1.507 1.00 9.85 C ATOM 1343 CD2 PHE B 41 -23.040 -1.067 0.780 1.00 11.64 C ATOM 1344 CE1 PHE B 41 -22.686 1.661 1.009 1.00 10.85 C ATOM 1345 CE2 PHE B 41 -21.892 -0.477 0.279 1.00 12.34 C ATOM 1346 CZ PHE B 41 -21.716 0.891 0.394 1.00 11.17 C ATOM 1347 H PHE B 41 -25.601 -1.437 -1.119 1.00 0.00 H ATOM 1348 N HIS B 42 -27.858 0.737 1.150 1.00 9.34 N ATOM 1349 CA HIS B 42 -28.471 1.997 0.753 1.00 10.44 C ATOM 1350 C HIS B 42 -27.461 3.136 0.828 1.00 9.45 C ATOM 1351 O HIS B 42 -26.635 3.196 1.740 1.00 10.36 O ATOM 1352 CB HIS B 42 -29.675 2.298 1.646 1.00 11.54 C ATOM 1353 CG HIS B 42 -30.810 1.347 1.454 1.00 11.14 C ATOM 1354 ND1 HIS B 42 -31.732 1.494 0.443 1.00 12.31 N ATOM 1355 CD2 HIS B 42 -31.157 0.222 2.123 1.00 12.53 C ATOM 1356 CE1 HIS B 42 -32.605 0.505 0.503 1.00 13.31 C ATOM 1357 NE2 HIS B 42 -32.282 -0.277 1.516 1.00 13.71 N ATOM 1358 H HIS B 42 -28.148 0.277 2.036 1.00 0.00 H ATOM 1359 N ASP B 43 -27.509 4.023 -0.156 1.00 9.82 N ATOM 1360 CA ASP B 43 -26.632 5.193 -0.187 1.00 10.06 C ATOM 1361 C ASP B 43 -26.986 6.152 0.946 1.00 10.49 C ATOM 1362 O ASP B 43 -28.166 6.403 1.206 1.00 12.68 O ATOM 1363 CB ASP B 43 -26.813 5.906 -1.534 1.00 10.71 C ATOM 1364 CG ASP B 43 -25.714 6.922 -1.836 1.00 9.98 C ATOM 1365 OD1 ASP B 43 -25.528 7.875 -1.051 1.00 11.00 O ATOM 1366 OD2 ASP B 43 -25.027 6.764 -2.869 1.00 13.39 O ATOM 1367 H ASP B 43 -28.191 3.883 -0.929 1.00 0.00 H ATOM 1368 N ILE B 44 -25.966 6.712 1.596 1.00 9.99 N ATOM 1369 CA ILE B 44 -26.216 7.647 2.689 1.00 11.01 C ATOM 1370 C ILE B 44 -26.760 8.985 2.206 1.00 11.04 C ATOM 1371 O ILE B 44 -27.355 9.729 3.001 1.00 13.46 O ATOM 1372 CB ILE B 44 -24.960 7.807 3.557 1.00 11.67 C ATOM 1373 CG1 ILE B 44 -25.331 8.468 4.886 1.00 15.37 C ATOM 1374 CG2 ILE B 44 -23.907 8.609 2.819 1.00 14.76 C ATOM 1375 CD1 ILE B 44 -24.291 8.334 5.965 1.00 19.68 C ATOM 1376 H ILE B 44 -24.989 6.482 1.324 1.00 0.00 H ATOM 1377 N SER B 45 -26.589 9.313 0.931 1.00 11.18 N ATOM 1378 CA SER B 45 -27.046 10.579 0.359 1.00 12.28 C ATOM 1379 C SER B 45 -27.924 10.265 -0.843 1.00 11.61 C ATOM 1380 O SER B 45 -27.538 10.503 -1.993 1.00 12.62 O ATOM 1381 CB SER B 45 -25.849 11.435 -0.052 1.00 15.29 C ATOM 1382 OG SER B 45 -26.266 12.682 -0.589 1.00 21.54 O ATOM 1383 HG SER B 45 -26.788 13.176 0.092 1.00 0.00 H ATOM 1384 H SER B 45 -26.106 8.635 0.307 1.00 0.00 H ATOM 1385 N PRO B 46 -29.113 9.717 -0.615 1.00 11.01 N ATOM 1386 CA PRO B 46 -29.901 9.192 -1.737 1.00 11.40 C ATOM 1387 C PRO B 46 -30.392 10.293 -2.664 1.00 11.66 C ATOM 1388 O PRO B 46 -30.807 11.370 -2.225 1.00 13.86 O ATOM 1389 CB PRO B 46 -31.074 8.488 -1.051 1.00 13.18 C ATOM 1390 CG PRO B 46 -31.181 9.160 0.286 1.00 13.96 C ATOM 1391 CD PRO B 46 -29.772 9.483 0.682 1.00 12.27 C ATOM 1392 N GLN B 47 -30.372 9.992 -3.963 1.00 11.43 N ATOM 1393 CA GLN B 47 -30.795 10.909 -5.014 1.00 12.65 C ATOM 1394 C GLN B 47 -32.102 10.482 -5.661 1.00 11.29 C ATOM 1395 O GLN B 47 -32.517 11.083 -6.655 1.00 12.94 O ATOM 1396 CB GLN B 47 -29.715 10.999 -6.088 1.00 13.10 C ATOM 1397 CG GLN B 47 -28.375 11.381 -5.539 1.00 15.82 C ATOM 1398 CD GLN B 47 -28.405 12.766 -4.969 1.00 15.75 C ATOM 1399 OE1 GLN B 47 -28.844 13.710 -5.631 1.00 19.33 O ATOM 1400 NE2 GLN B 47 -27.958 12.908 -3.730 1.00 18.14 N ATOM 1401 HE22 GLN B 47 -27.597 12.083 -3.210 1.00 0.00 H ATOM 1402 HE21 GLN B 47 -27.968 13.844 -3.278 1.00 0.00 H ATOM 1403 H GLN B 47 -30.035 9.049 -4.242 1.00 0.00 H ATOM 1404 N ALA B 48 -32.738 9.443 -5.136 1.00 11.43 N ATOM 1405 CA ALA B 48 -34.013 8.937 -5.615 1.00 11.45 C ATOM 1406 C ALA B 48 -34.673 8.213 -4.456 1.00 13.15 C ATOM 1407 O ALA B 48 -34.005 7.914 -3.460 1.00 12.13 O ATOM 1408 CB ALA B 48 -33.816 7.979 -6.803 1.00 11.33 C ATOM 1409 H ALA B 48 -32.295 8.959 -4.329 1.00 0.00 H ATOM 1410 N PRO B 49 -35.977 7.924 -4.541 1.00 12.89 N ATOM 1411 CA PRO B 49 -36.627 7.248 -3.406 1.00 14.25 C ATOM 1412 C PRO B 49 -35.972 5.926 -3.046 1.00 13.79 C ATOM 1413 O PRO B 49 -35.930 5.557 -1.864 1.00 14.84 O ATOM 1414 CB PRO B 49 -38.082 7.106 -3.869 1.00 15.35 C ATOM 1415 CG PRO B 49 -38.272 8.306 -4.748 1.00 16.08 C ATOM 1416 CD PRO B 49 -36.968 8.419 -5.513 1.00 14.54 C ATOM 1417 N THR B 50 -35.428 5.216 -4.030 1.00 13.47 N ATOM 1418 CA THR B 50 -34.534 4.089 -3.800 1.00 12.71 C ATOM 1419 C THR B 50 -33.193 4.411 -4.444 1.00 10.49 C ATOM 1420 O THR B 50 -33.133 4.721 -5.637 1.00 11.34 O ATOM 1421 CB THR B 50 -35.106 2.807 -4.401 1.00 12.50 C ATOM 1422 OG1 THR B 50 -36.332 2.475 -3.735 1.00 15.45 O ATOM 1423 CG2 THR B 50 -34.121 1.662 -4.230 1.00 14.32 C ATOM 1424 HG1 THR B 50 -36.980 3.214 -3.852 1.00 0.00 H ATOM 1425 H THR B 50 -35.652 5.478 -5.011 1.00 0.00 H ATOM 1426 N HIS B 51 -32.126 4.356 -3.657 1.00 9.57 N ATOM 1427 CA HIS B 51 -30.783 4.606 -4.171 1.00 9.42 C ATOM 1428 C HIS B 51 -29.839 3.761 -3.334 1.00 9.32 C ATOM 1429 O HIS B 51 -29.647 4.038 -2.144 1.00 9.81 O ATOM 1430 CB HIS B 51 -30.448 6.090 -4.077 1.00 10.06 C ATOM 1431 CG HIS B 51 -29.095 6.438 -4.606 1.00 9.86 C ATOM 1432 ND1 HIS B 51 -28.630 7.735 -4.643 1.00 10.86 N ATOM 1433 CD2 HIS B 51 -28.105 5.669 -5.118 1.00 10.57 C ATOM 1434 CE1 HIS B 51 -27.409 7.746 -5.150 1.00 11.11 C ATOM 1435 NE2 HIS B 51 -27.068 6.505 -5.449 1.00 10.34 N ATOM 1436 H HIS B 51 -32.250 4.129 -2.650 1.00 0.00 H ATOM 1437 N PHE B 52 -29.279 2.720 -3.936 1.00 8.98 N ATOM 1438 CA PHE B 52 -28.353 1.860 -3.230 1.00 8.74 C ATOM 1439 C PHE B 52 -27.096 1.651 -4.058 1.00 7.78 C ATOM 1440 O PHE B 52 -27.026 2.032 -5.230 1.00 8.95 O ATOM 1441 CB PHE B 52 -28.997 0.532 -2.790 1.00 8.81 C ATOM 1442 CG PHE B 52 -29.454 -0.365 -3.929 1.00 8.80 C ATOM 1443 CD1 PHE B 52 -28.623 -1.377 -4.411 1.00 9.00 C ATOM 1444 CD2 PHE B 52 -30.727 -0.235 -4.481 1.00 9.09 C ATOM 1445 CE1 PHE B 52 -29.040 -2.219 -5.442 1.00 9.75 C ATOM 1446 CE2 PHE B 52 -31.148 -1.084 -5.506 1.00 10.59 C ATOM 1447 CZ PHE B 52 -30.300 -2.074 -5.982 1.00 10.08 C ATOM 1448 H PHE B 52 -29.509 2.519 -4.930 1.00 0.00 H ATOM 1449 N LEU B 53 -26.094 1.052 -3.419 1.00 8.36 N ATOM 1450 CA LEU B 53 -24.806 0.767 -4.031 1.00 8.45 C ATOM 1451 C LEU B 53 -24.552 -0.727 -3.970 1.00 7.68 C ATOM 1452 O LEU B 53 -24.946 -1.389 -3.008 1.00 8.60 O ATOM 1453 CB LEU B 53 -23.672 1.437 -3.254 1.00 8.97 C ATOM 1454 CG LEU B 53 -23.784 2.948 -3.102 1.00 10.03 C ATOM 1455 CD1 LEU B 53 -22.617 3.477 -2.306 1.00 16.45 C ATOM 1456 CD2 LEU B 53 -23.832 3.628 -4.441 1.00 13.23 C ATOM 1457 H LEU B 53 -26.240 0.772 -2.428 1.00 0.00 H ATOM 1458 N VAL B 54 -23.876 -1.248 -4.989 1.00 8.50 N ATOM 1459 CA VAL B 54 -23.336 -2.606 -4.963 1.00 8.03 C ATOM 1460 C VAL B 54 -21.836 -2.493 -5.159 1.00 8.04 C ATOM 1461 O VAL B 54 -21.381 -1.887 -6.139 1.00 9.13 O ATOM 1462 CB VAL B 54 -23.954 -3.525 -6.029 1.00 8.65 C ATOM 1463 CG1 VAL B 54 -23.517 -4.970 -5.784 1.00 10.40 C ATOM 1464 CG2 VAL B 54 -25.466 -3.425 -6.030 1.00 10.41 C ATOM 1465 H VAL B 54 -23.725 -0.667 -5.838 1.00 0.00 H ATOM 1466 N ILE B 55 -21.067 -3.037 -4.219 1.00 7.59 N ATOM 1467 CA ILE B 55 -19.616 -2.893 -4.261 1.00 8.33 C ATOM 1468 C ILE B 55 -18.954 -4.258 -4.158 1.00 7.54 C ATOM 1469 O ILE B 55 -19.460 -5.140 -3.453 1.00 9.03 O ATOM 1470 CB ILE B 55 -19.107 -1.920 -3.181 1.00 8.36 C ATOM 1471 CG1 ILE B 55 -19.158 -2.519 -1.771 1.00 9.37 C ATOM 1472 CG2 ILE B 55 -19.915 -0.622 -3.212 1.00 10.33 C ATOM 1473 CD1 ILE B 55 -18.516 -1.614 -0.747 1.00 11.99 C ATOM 1474 H ILE B 55 -21.507 -3.572 -3.443 1.00 0.00 H ATOM 1475 N PRO B 56 -17.816 -4.462 -4.802 1.00 7.38 N ATOM 1476 CA PRO B 56 -17.072 -5.702 -4.590 1.00 8.55 C ATOM 1477 C PRO B 56 -16.345 -5.639 -3.263 1.00 9.13 C ATOM 1478 O PRO B 56 -15.997 -4.564 -2.774 1.00 9.44 O ATOM 1479 CB PRO B 56 -16.051 -5.685 -5.732 1.00 9.16 C ATOM 1480 CG PRO B 56 -15.809 -4.224 -5.978 1.00 9.45 C ATOM 1481 CD PRO B 56 -17.129 -3.541 -5.727 1.00 9.19 C ATOM 1482 N LYS B 57 -16.117 -6.812 -2.670 1.00 8.49 N ATOM 1483 CA LYS B 57 -15.266 -6.860 -1.488 1.00 9.96 C ATOM 1484 C LYS B 57 -13.796 -6.674 -1.848 1.00 11.03 C ATOM 1485 O LYS B 57 -13.035 -6.108 -1.057 1.00 13.48 O ATOM 1486 CB LYS B 57 -15.539 -8.131 -0.692 1.00 11.14 C ATOM 1487 CG LYS B 57 -16.911 -8.092 -0.070 1.00 11.28 C ATOM 1488 CD LYS B 57 -17.202 -9.300 0.774 1.00 10.99 C ATOM 1489 CE LYS B 57 -18.473 -9.073 1.572 1.00 11.68 C ATOM 1490 NZ LYS B 57 -18.772 -10.241 2.440 1.00 12.43 N ATOM 1491 HZ1 LYS B 57 -18.895 -11.088 1.849 1.00 0.00 H ATOM 1492 HZ2 LYS B 57 -17.984 -10.390 3.102 1.00 0.00 H ATOM 1493 HZ3 LYS B 57 -19.646 -10.060 2.974 1.00 0.00 H ATOM 1494 H LYS B 57 -16.542 -7.683 -3.047 1.00 0.00 H ATOM 1495 N LYS B 58 -13.390 -7.100 -3.039 1.00 11.22 N ATOM 1496 CA LYS B 58 -12.048 -6.822 -3.532 1.00 13.12 C ATOM 1497 C LYS B 58 -11.875 -5.321 -3.747 1.00 13.50 C ATOM 1498 O LYS B 58 -12.728 -4.668 -4.357 1.00 13.60 O ATOM 1499 CB LYS B 58 -11.852 -7.552 -4.859 1.00 13.66 C ATOM 1500 CG LYS B 58 -10.505 -7.321 -5.525 1.00 15.48 C ATOM 1501 CD LYS B 58 -10.407 -8.061 -6.855 1.00 16.57 C ATOM 1502 CE LYS B 58 -9.031 -7.884 -7.493 1.00 19.03 C ATOM 1503 NZ LYS B 58 -8.910 -8.622 -8.785 1.00 23.64 N ATOM 1504 HZ1 LYS B 58 -9.062 -9.637 -8.618 1.00 0.00 H ATOM 1505 HZ2 LYS B 58 -9.625 -8.269 -9.453 1.00 0.00 H ATOM 1506 HZ3 LYS B 58 -7.960 -8.472 -9.181 1.00 0.00 H ATOM 1507 H LYS B 58 -14.046 -7.645 -3.634 1.00 0.00 H ATOM 1508 N HIS B 59 -10.770 -4.759 -3.260 1.00 12.37 N ATOM 1509 CA HIS B 59 -10.570 -3.317 -3.418 1.00 12.76 C ATOM 1510 C HIS B 59 -10.010 -3.028 -4.805 1.00 15.36 C ATOM 1511 O HIS B 59 -8.800 -2.998 -5.030 1.00 21.36 O ATOM 1512 CB HIS B 59 -9.695 -2.721 -2.321 1.00 15.53 C ATOM 1513 CG HIS B 59 -9.620 -1.222 -2.375 1.00 18.43 C ATOM 1514 ND1 HIS B 59 -8.688 -0.489 -1.671 1.00 28.19 N ATOM 1515 CD2 HIS B 59 -10.365 -0.320 -3.060 1.00 17.89 C ATOM 1516 CE1 HIS B 59 -8.863 0.797 -1.919 1.00 26.21 C ATOM 1517 NE2 HIS B 59 -9.873 0.927 -2.761 1.00 18.68 N ATOM 1518 H HIS B 59 -10.057 -5.338 -2.773 1.00 0.00 H ATOM 1519 N ILE B 60 -10.917 -2.819 -5.749 1.00 12.99 N ATOM 1520 CA ILE B 60 -10.601 -2.202 -7.031 1.00 11.23 C ATOM 1521 C ILE B 60 -10.903 -0.720 -6.859 1.00 11.26 C ATOM 1522 O ILE B 60 -12.024 -0.355 -6.492 1.00 12.30 O ATOM 1523 CB ILE B 60 -11.466 -2.807 -8.143 1.00 11.02 C ATOM 1524 CG1 ILE B 60 -11.377 -4.337 -8.129 1.00 13.80 C ATOM 1525 CG2 ILE B 60 -11.060 -2.247 -9.489 1.00 14.91 C ATOM 1526 CD1 ILE B 60 -12.338 -5.011 -9.091 1.00 15.10 C ATOM 1527 H ILE B 60 -11.899 -3.109 -5.566 1.00 0.00 H ATOM 1528 N SER B 61 -9.904 0.137 -7.077 1.00 11.23 N ATOM 1529 CA SER B 61 -10.081 1.549 -6.731 1.00 11.81 C ATOM 1530 C SER B 61 -11.019 2.275 -7.689 1.00 10.98 C ATOM 1531 O SER B 61 -11.705 3.222 -7.285 1.00 11.35 O ATOM 1532 CB SER B 61 -8.732 2.260 -6.695 1.00 13.60 C ATOM 1533 OG SER B 61 -8.079 2.184 -7.947 1.00 17.62 O ATOM 1534 HG SER B 61 -8.643 2.612 -8.639 1.00 0.00 H ATOM 1535 H SER B 61 -9.008 -0.194 -7.489 1.00 0.00 H ATOM 1536 N GLN B 62 -11.039 1.878 -8.955 1.00 11.05 N ATOM 1537 CA GLN B 62 -11.827 2.563 -9.969 1.00 10.78 C ATOM 1538 C GLN B 62 -11.923 1.642 -11.169 1.00 11.90 C ATOM 1539 O GLN B 62 -11.076 0.767 -11.369 1.00 11.85 O ATOM 1540 CB GLN B 62 -11.207 3.902 -10.364 1.00 15.00 C ATOM 1541 CG GLN B 62 -9.810 3.772 -10.882 1.00 16.51 C ATOM 1542 CD GLN B 62 -8.946 4.923 -10.446 1.00 18.26 C ATOM 1543 OE1 GLN B 62 -8.223 4.820 -9.456 1.00 21.08 O ATOM 1544 NE2 GLN B 62 -9.021 6.032 -11.167 1.00 18.35 N ATOM 1545 HE22 GLN B 62 -9.647 6.072 -11.996 1.00 0.00 H ATOM 1546 HE21 GLN B 62 -8.454 6.863 -10.904 1.00 0.00 H ATOM 1547 H GLN B 62 -10.473 1.050 -9.232 1.00 0.00 H ATOM 1548 N ILE B 63 -12.983 1.829 -11.956 1.00 10.29 N ATOM 1549 CA ILE B 63 -13.226 0.914 -13.065 1.00 11.25 C ATOM 1550 C ILE B 63 -12.095 0.965 -14.080 1.00 10.29 C ATOM 1551 O ILE B 63 -11.813 -0.034 -14.748 1.00 11.97 O ATOM 1552 CB ILE B 63 -14.615 1.160 -13.693 1.00 11.23 C ATOM 1553 CG1 ILE B 63 -15.004 0.008 -14.616 1.00 15.55 C ATOM 1554 CG2 ILE B 63 -14.640 2.468 -14.463 1.00 12.47 C ATOM 1555 CD1 ILE B 63 -15.165 -1.296 -13.891 1.00 19.10 C ATOM 1556 H ILE B 63 -13.632 2.622 -11.780 1.00 0.00 H ATOM 1557 N SER B 64 -11.407 2.104 -14.195 1.00 11.18 N ATOM 1558 CA SER B 64 -10.348 2.217 -15.192 1.00 10.94 C ATOM 1559 C SER B 64 -9.182 1.274 -14.921 1.00 12.04 C ATOM 1560 O SER B 64 -8.398 1.007 -15.840 1.00 14.81 O ATOM 1561 CB SER B 64 -9.849 3.658 -15.301 1.00 13.08 C ATOM 1562 OG SER B 64 -9.246 4.079 -14.092 1.00 13.18 O ATOM 1563 HG SER B 64 -8.932 5.013 -14.189 1.00 0.00 H ATOM 1564 H SER B 64 -11.626 2.909 -13.575 1.00 0.00 H ATOM 1565 N VAL B 65 -9.038 0.769 -13.694 1.00 13.23 N ATOM 1566 CA VAL B 65 -7.938 -0.124 -13.356 1.00 13.62 C ATOM 1567 C VAL B 65 -8.397 -1.566 -13.197 1.00 14.39 C ATOM 1568 O VAL B 65 -7.594 -2.430 -12.830 1.00 16.67 O ATOM 1569 CB VAL B 65 -7.128 0.359 -12.139 1.00 16.45 C ATOM 1570 CG1 VAL B 65 -6.659 1.789 -12.360 1.00 20.14 C ATOM 1571 CG2 VAL B 65 -7.939 0.226 -10.856 1.00 18.05 C ATOM 1572 H VAL B 65 -9.730 1.020 -12.959 1.00 0.00 H ATOM 1573 N ALA B 66 -9.666 -1.857 -13.469 1.00 13.69 N ATOM 1574 CA ALA B 66 -10.137 -3.233 -13.387 1.00 13.70 C ATOM 1575 C ALA B 66 -9.407 -4.104 -14.401 1.00 17.86 C ATOM 1576 O ALA B 66 -9.125 -3.677 -15.525 1.00 18.92 O ATOM 1577 CB ALA B 66 -11.643 -3.288 -13.642 1.00 14.99 C ATOM 1578 H ALA B 66 -10.324 -1.099 -13.741 1.00 0.00 H ATOM 1579 N GLU B 67 -9.095 -5.333 -13.989 1.00 22.66 N ATOM 1580 CA GLU B 67 -8.386 -6.302 -14.811 1.00 26.65 C ATOM 1581 C GLU B 67 -9.371 -7.156 -15.604 1.00 24.12 C ATOM 1582 O GLU B 67 -10.562 -7.231 -15.295 1.00 22.16 O ATOM 1583 CB GLU B 67 -7.531 -7.219 -13.934 1.00 29.33 C ATOM 1584 CG GLU B 67 -6.490 -6.512 -13.083 1.00 35.08 C ATOM 1585 CD GLU B 67 -5.830 -7.447 -12.086 1.00 45.46 C ATOM 1586 OE1 GLU B 67 -6.553 -8.055 -11.268 1.00 47.46 O ATOM 1587 OE2 GLU B 67 -4.588 -7.584 -12.127 1.00 54.61 O ATOM 1588 H GLU B 67 -9.374 -5.615 -13.027 1.00 0.00 H ATOM 1589 N ASP B 68 -8.849 -7.823 -16.637 1.00 27.08 N ATOM 1590 CA ASP B 68 -9.686 -8.714 -17.436 1.00 25.64 C ATOM 1591 C ASP B 68 -10.292 -9.817 -16.576 1.00 21.76 C ATOM 1592 O ASP B 68 -11.448 -10.211 -16.777 1.00 20.94 O ATOM 1593 CB ASP B 68 -8.870 -9.317 -18.580 1.00 30.18 C ATOM 1594 CG ASP B 68 -8.283 -8.262 -19.496 1.00 35.28 C ATOM 1595 OD1 ASP B 68 -8.703 -7.089 -19.401 1.00 31.83 O ATOM 1596 OD2 ASP B 68 -7.406 -8.607 -20.318 1.00 40.30 O ATOM 1597 H ASP B 68 -7.843 -7.707 -16.873 1.00 0.00 H ATOM 1598 N ASP B 69 -9.529 -10.318 -15.606 1.00 19.22 N ATOM 1599 CA ASP B 69 -10.011 -11.358 -14.708 1.00 20.58 C ATOM 1600 C ASP B 69 -11.149 -10.889 -13.811 1.00 20.81 C ATOM 1601 O ASP B 69 -11.796 -11.729 -13.175 1.00 21.50 O ATOM 1602 CB ASP B 69 -8.860 -11.889 -13.851 1.00 27.74 C ATOM 1603 CG ASP B 69 -7.880 -12.732 -14.647 1.00 40.40 C ATOM 1604 OD1 ASP B 69 -8.231 -13.161 -15.767 1.00 39.15 O ATOM 1605 OD2 ASP B 69 -6.758 -12.969 -14.149 1.00 48.61 O ATOM 1606 H ASP B 69 -8.561 -9.956 -15.487 1.00 0.00 H ATOM 1607 N ASP B 70 -11.404 -9.580 -13.744 1.00 17.07 N ATOM 1608 CA ASP B 70 -12.490 -9.026 -12.945 1.00 14.43 C ATOM 1609 C ASP B 70 -13.835 -9.057 -13.656 1.00 13.61 C ATOM 1610 O ASP B 70 -14.825 -8.622 -13.062 1.00 13.81 O ATOM 1611 CB ASP B 70 -12.179 -7.576 -12.567 1.00 17.40 C ATOM 1612 CG ASP B 70 -11.006 -7.458 -11.621 1.00 18.46 C ATOM 1613 OD1 ASP B 70 -10.896 -8.282 -10.687 1.00 19.33 O ATOM 1614 OD2 ASP B 70 -10.186 -6.535 -11.809 1.00 22.88 O ATOM 1615 H ASP B 70 -10.802 -8.927 -14.285 1.00 0.00 H ATOM 1616 N GLU B 71 -13.904 -9.550 -14.897 1.00 14.40 N ATOM 1617 CA GLU B 71 -15.124 -9.379 -15.682 1.00 14.90 C ATOM 1618 C GLU B 71 -16.329 -10.034 -15.013 1.00 13.65 C ATOM 1619 O GLU B 71 -17.401 -9.431 -14.915 1.00 13.79 O ATOM 1620 CB GLU B 71 -14.936 -9.854 -17.135 1.00 19.29 C ATOM 1621 CG GLU B 71 -15.083 -11.361 -17.385 1.00 23.70 C ATOM 1622 CD GLU B 71 -15.113 -11.750 -18.861 1.00 23.50 C ATOM 1623 OE1 GLU B 71 -14.791 -10.911 -19.720 1.00 18.32 O ATOM 1624 OE2 GLU B 71 -15.462 -12.912 -19.159 1.00 28.38 O ATOM 1625 H GLU B 71 -13.090 -10.055 -15.303 1.00 0.00 H ATOM 1626 N SER B 72 -16.186 -11.270 -14.545 1.00 12.16 N ATOM 1627 CA SER B 72 -17.337 -11.928 -13.943 1.00 14.74 C ATOM 1628 C SER B 72 -17.747 -11.247 -12.643 1.00 11.56 C ATOM 1629 O SER B 72 -18.942 -11.161 -12.342 1.00 12.02 O ATOM 1630 CB SER B 72 -17.064 -13.417 -13.740 1.00 17.99 C ATOM 1631 OG SER B 72 -15.955 -13.612 -12.891 1.00 14.42 O ATOM 1632 HG SER B 72 -15.154 -13.192 -13.294 1.00 0.00 H ATOM 1633 H SER B 72 -15.270 -11.758 -14.608 1.00 0.00 H ATOM 1634 N LEU B 73 -16.771 -10.757 -11.869 1.00 10.23 N ATOM 1635 CA LEU B 73 -17.078 -10.029 -10.640 1.00 10.77 C ATOM 1636 C LEU B 73 -17.868 -8.759 -10.934 1.00 9.68 C ATOM 1637 O LEU B 73 -18.866 -8.468 -10.260 1.00 10.72 O ATOM 1638 CB LEU B 73 -15.785 -9.695 -9.898 1.00 11.95 C ATOM 1639 CG LEU B 73 -15.950 -8.858 -8.630 1.00 12.04 C ATOM 1640 CD1 LEU B 73 -16.808 -9.592 -7.602 1.00 14.66 C ATOM 1641 CD2 LEU B 73 -14.590 -8.486 -8.061 1.00 14.97 C ATOM 1642 H LEU B 73 -15.779 -10.897 -12.147 1.00 0.00 H ATOM 1643 N LEU B 74 -17.449 -8.000 -11.949 1.00 9.64 N ATOM 1644 CA LEU B 74 -18.180 -6.791 -12.317 1.00 9.87 C ATOM 1645 C LEU B 74 -19.586 -7.127 -12.787 1.00 9.59 C ATOM 1646 O LEU B 74 -20.554 -6.447 -12.421 1.00 10.09 O ATOM 1647 CB LEU B 74 -17.420 -6.036 -13.404 1.00 12.18 C ATOM 1648 CG LEU B 74 -16.070 -5.452 -13.001 1.00 11.30 C ATOM 1649 CD1 LEU B 74 -15.369 -4.916 -14.243 1.00 14.60 C ATOM 1650 CD2 LEU B 74 -16.220 -4.358 -11.939 1.00 14.07 C ATOM 1651 H LEU B 74 -16.597 -8.271 -12.481 1.00 0.00 H ATOM 1652 N GLY B 75 -19.725 -8.171 -13.604 1.00 8.89 N ATOM 1653 CA GLY B 75 -21.053 -8.603 -13.998 1.00 10.38 C ATOM 1654 C GLY B 75 -21.889 -9.054 -12.817 1.00 8.80 C ATOM 1655 O GLY B 75 -23.099 -8.838 -12.784 1.00 9.62 O ATOM 1656 H GLY B 75 -18.886 -8.673 -13.957 1.00 0.00 H ATOM 1657 N HIS B 76 -21.252 -9.710 -11.838 1.00 9.57 N ATOM 1658 CA HIS B 76 -21.948 -10.101 -10.614 1.00 10.02 C ATOM 1659 C HIS B 76 -22.534 -8.894 -9.891 1.00 8.69 C ATOM 1660 O HIS B 76 -23.642 -8.970 -9.355 1.00 9.04 O ATOM 1661 CB HIS B 76 -20.988 -10.859 -9.699 1.00 11.07 C ATOM 1662 CG HIS B 76 -21.635 -11.467 -8.492 1.00 10.68 C ATOM 1663 ND1 HIS B 76 -22.535 -12.508 -8.578 1.00 11.24 N ATOM 1664 CD2 HIS B 76 -21.490 -11.201 -7.172 1.00 10.03 C ATOM 1665 CE1 HIS B 76 -22.919 -12.856 -7.361 1.00 11.30 C ATOM 1666 NE2 HIS B 76 -22.299 -12.080 -6.492 1.00 10.36 N ATOM 1667 H HIS B 76 -20.245 -9.945 -11.951 1.00 0.00 H ATOM 1668 N LEU B 77 -21.809 -7.772 -9.863 1.00 8.73 N ATOM 1669 CA LEU B 77 -22.367 -6.566 -9.252 1.00 9.27 C ATOM 1670 C LEU B 77 -23.661 -6.151 -9.934 1.00 9.04 C ATOM 1671 O LEU B 77 -24.630 -5.750 -9.272 1.00 9.35 O ATOM 1672 CB LEU B 77 -21.376 -5.403 -9.322 1.00 10.33 C ATOM 1673 CG LEU B 77 -19.991 -5.640 -8.720 1.00 10.15 C ATOM 1674 CD1 LEU B 77 -19.128 -4.406 -8.887 1.00 13.33 C ATOM 1675 CD2 LEU B 77 -20.086 -6.013 -7.252 1.00 13.10 C ATOM 1676 H LEU B 77 -20.853 -7.756 -10.273 1.00 0.00 H ATOM 1677 N MET B 78 -23.697 -6.248 -11.266 1.00 9.24 N ATOM 1678 CA MET B 78 -24.884 -5.840 -12.008 1.00 9.43 C ATOM 1679 C MET B 78 -26.038 -6.817 -11.804 1.00 8.42 C ATOM 1680 O MET B 78 -27.195 -6.399 -11.699 1.00 9.35 O ATOM 1681 CB MET B 78 -24.537 -5.704 -13.485 1.00 11.25 C ATOM 1682 CG MET B 78 -23.428 -4.699 -13.749 1.00 10.39 C ATOM 1683 SD MET B 78 -23.227 -4.405 -15.502 1.00 20.92 S ATOM 1684 CE MET B 78 -24.954 -4.284 -15.919 1.00 6.21 C ATOM 1685 H MET B 78 -22.871 -6.618 -11.778 1.00 0.00 H ATOM 1686 N ILE B 79 -25.744 -8.125 -11.755 1.00 8.90 N ATOM 1687 CA ILE B 79 -26.794 -9.114 -11.508 1.00 9.87 C ATOM 1688 C ILE B 79 -27.352 -8.964 -10.095 1.00 8.97 C ATOM 1689 O ILE B 79 -28.570 -8.988 -9.884 1.00 9.80 O ATOM 1690 CB ILE B 79 -26.287 -10.544 -11.783 1.00 9.91 C ATOM 1691 CG1 ILE B 79 -26.007 -10.746 -13.278 1.00 11.39 C ATOM 1692 CG2 ILE B 79 -27.280 -11.598 -11.260 1.00 12.67 C ATOM 1693 CD1 ILE B 79 -27.231 -10.621 -14.179 1.00 14.82 C ATOM 1694 H ILE B 79 -24.762 -8.439 -11.894 1.00 0.00 H ATOM 1695 N VAL B 80 -26.467 -8.812 -9.106 1.00 9.16 N ATOM 1696 CA VAL B 80 -26.920 -8.534 -7.745 1.00 10.16 C ATOM 1697 C VAL B 80 -27.736 -7.249 -7.710 1.00 9.56 C ATOM 1698 O VAL B 80 -28.791 -7.177 -7.065 1.00 10.09 O ATOM 1699 CB VAL B 80 -25.720 -8.485 -6.776 1.00 9.31 C ATOM 1700 CG1 VAL B 80 -26.129 -7.927 -5.410 1.00 10.39 C ATOM 1701 CG2 VAL B 80 -25.124 -9.883 -6.614 1.00 10.81 C ATOM 1702 H VAL B 80 -25.450 -8.892 -9.306 1.00 0.00 H ATOM 1703 N GLY B 81 -27.280 -6.224 -8.431 1.00 9.59 N ATOM 1704 CA GLY B 81 -28.020 -4.973 -8.473 1.00 10.11 C ATOM 1705 C GLY B 81 -29.423 -5.140 -9.027 1.00 9.56 C ATOM 1706 O GLY B 81 -30.395 -4.629 -8.459 1.00 10.40 O ATOM 1707 H GLY B 81 -26.393 -6.320 -8.965 1.00 0.00 H ATOM 1708 N LYS B 82 -29.558 -5.883 -10.135 1.00 9.93 N ATOM 1709 CA LYS B 82 -30.894 -6.028 -10.707 1.00 10.44 C ATOM 1710 C LYS B 82 -31.789 -6.895 -9.826 1.00 10.64 C ATOM 1711 O LYS B 82 -32.992 -6.632 -9.721 1.00 11.90 O ATOM 1712 CB LYS B 82 -30.851 -6.445 -12.184 1.00 15.05 C ATOM 1713 CG LYS B 82 -30.465 -7.875 -12.446 1.00 14.28 C ATOM 1714 CD LYS B 82 -31.691 -8.757 -12.558 1.00 15.22 C ATOM 1715 CE LYS B 82 -31.333 -10.130 -13.083 1.00 20.54 C ATOM 1716 NZ LYS B 82 -32.550 -10.953 -13.337 1.00 22.94 N ATOM 1717 HZ1 LYS B 82 -33.081 -11.067 -12.450 1.00 0.00 H ATOM 1718 HZ2 LYS B 82 -33.148 -10.477 -14.042 1.00 0.00 H ATOM 1719 HZ3 LYS B 82 -32.267 -11.887 -13.696 1.00 0.00 H ATOM 1720 H LYS B 82 -28.735 -6.343 -10.574 1.00 0.00 H ATOM 1721 N LYS B 83 -31.219 -7.887 -9.146 1.00 11.26 N ATOM 1722 CA LYS B 83 -32.031 -8.695 -8.241 1.00 13.56 C ATOM 1723 C LYS B 83 -32.476 -7.891 -7.025 1.00 13.48 C ATOM 1724 O LYS B 83 -33.633 -7.994 -6.598 1.00 13.89 O ATOM 1725 CB LYS B 83 -31.271 -9.949 -7.819 1.00 12.71 C ATOM 1726 CG LYS B 83 -31.125 -10.956 -8.948 1.00 14.22 C ATOM 1727 CD LYS B 83 -30.355 -12.194 -8.515 1.00 16.57 C ATOM 1728 CE LYS B 83 -30.287 -13.201 -9.653 1.00 17.84 C ATOM 1729 NZ LYS B 83 -29.579 -14.439 -9.235 1.00 21.17 N ATOM 1730 HZ1 LYS B 83 -28.609 -14.201 -8.944 1.00 0.00 H ATOM 1731 HZ2 LYS B 83 -30.085 -14.874 -8.437 1.00 0.00 H ATOM 1732 HZ3 LYS B 83 -29.549 -15.106 -10.033 1.00 0.00 H ATOM 1733 H LYS B 83 -30.204 -8.085 -9.258 1.00 0.00 H ATOM 1734 N CYS B 84 -31.573 -7.085 -6.452 1.00 10.98 N ATOM 1735 CA CYS B 84 -31.957 -6.220 -5.340 1.00 12.27 C ATOM 1736 C CYS B 84 -33.016 -5.218 -5.769 1.00 12.05 C ATOM 1737 O CYS B 84 -33.956 -4.934 -5.015 1.00 13.51 O ATOM 1738 CB CYS B 84 -30.736 -5.485 -4.785 1.00 12.56 C ATOM 1739 SG CYS B 84 -29.560 -6.529 -3.881 1.00 13.28 S ATOM 1740 H CYS B 84 -30.593 -7.075 -6.801 1.00 0.00 H ATOM 1741 N ALA B 85 -32.883 -4.664 -6.979 1.00 11.23 N ATOM 1742 CA ALA B 85 -33.874 -3.704 -7.459 1.00 11.48 C ATOM 1743 C ALA B 85 -35.258 -4.338 -7.531 1.00 15.08 C ATOM 1744 O ALA B 85 -36.256 -3.728 -7.126 1.00 14.83 O ATOM 1745 CB ALA B 85 -33.459 -3.143 -8.818 1.00 13.14 C ATOM 1746 H ALA B 85 -32.072 -4.917 -7.579 1.00 0.00 H ATOM 1747 N ALA B 86 -35.334 -5.572 -8.033 1.00 13.71 N ATOM 1748 CA ALA B 86 -36.608 -6.282 -8.068 1.00 15.56 C ATOM 1749 C ALA B 86 -37.139 -6.515 -6.662 1.00 15.66 C ATOM 1750 O ALA B 86 -38.328 -6.303 -6.392 1.00 17.87 O ATOM 1751 CB ALA B 86 -36.443 -7.612 -8.803 1.00 16.99 C ATOM 1752 H ALA B 86 -34.477 -6.032 -8.403 1.00 0.00 H ATOM 1753 N ASP B 87 -36.267 -6.946 -5.746 1.00 14.86 N ATOM 1754 CA ASP B 87 -36.704 -7.215 -4.379 1.00 18.78 C ATOM 1755 C ASP B 87 -37.170 -5.949 -3.676 1.00 18.86 C ATOM 1756 O ASP B 87 -38.036 -6.013 -2.795 1.00 21.45 O ATOM 1757 CB ASP B 87 -35.590 -7.890 -3.577 1.00 19.90 C ATOM 1758 CG ASP B 87 -35.333 -9.323 -4.014 1.00 29.64 C ATOM 1759 OD1 ASP B 87 -36.176 -9.888 -4.742 1.00 29.74 O ATOM 1760 OD2 ASP B 87 -34.291 -9.887 -3.618 1.00 32.90 O ATOM 1761 H ASP B 87 -35.271 -7.091 -6.008 1.00 0.00 H ATOM 1762 N LEU B 88 -36.609 -4.797 -4.040 1.00 17.38 N ATOM 1763 CA LEU B 88 -37.007 -3.513 -3.478 1.00 18.78 C ATOM 1764 C LEU B 88 -38.207 -2.899 -4.192 1.00 19.14 C ATOM 1765 O LEU B 88 -38.577 -1.757 -3.888 1.00 21.80 O ATOM 1766 CB LEU B 88 -35.826 -2.541 -3.493 1.00 16.47 C ATOM 1767 CG LEU B 88 -34.721 -2.837 -2.481 1.00 15.79 C ATOM 1768 CD1 LEU B 88 -33.469 -2.041 -2.802 1.00 17.22 C ATOM 1769 CD2 LEU B 88 -35.193 -2.519 -1.072 1.00 22.46 C ATOM 1770 H LEU B 88 -35.855 -4.815 -4.756 1.00 0.00 H ATOM 1771 N GLY B 89 -38.809 -3.623 -5.136 1.00 18.69 N ATOM 1772 CA GLY B 89 -40.049 -3.194 -5.751 1.00 19.47 C ATOM 1773 C GLY B 89 -39.921 -2.204 -6.885 1.00 20.27 C ATOM 1774 O GLY B 89 -40.886 -1.489 -7.173 1.00 21.15 O ATOM 1775 H GLY B 89 -38.377 -4.519 -5.439 1.00 0.00 H ATOM 1776 N LEU B 90 -38.771 -2.144 -7.556 1.00 17.33 N ATOM 1777 CA LEU B 90 -38.565 -1.180 -8.638 1.00 17.17 C ATOM 1778 C LEU B 90 -39.082 -1.732 -9.969 1.00 18.46 C ATOM 1779 O LEU B 90 -38.351 -1.873 -10.953 1.00 17.98 O ATOM 1780 CB LEU B 90 -37.095 -0.790 -8.726 1.00 15.28 C ATOM 1781 CG LEU B 90 -36.516 -0.160 -7.462 1.00 14.87 C ATOM 1782 CD1 LEU B 90 -35.094 0.319 -7.710 1.00 14.99 C ATOM 1783 CD2 LEU B 90 -37.396 0.973 -6.951 1.00 17.81 C ATOM 1784 H LEU B 90 -38.002 -2.797 -7.305 1.00 0.00 H ATOM 1785 N ASN B 91 -40.385 -2.019 -9.993 1.00 15.58 N ATOM 1786 CA ASN B 91 -40.990 -2.666 -11.152 1.00 16.53 C ATOM 1787 C ASN B 91 -41.214 -1.727 -12.331 1.00 19.46 C ATOM 1788 O ASN B 91 -41.547 -2.205 -13.420 1.00 20.69 O ATOM 1789 CB ASN B 91 -42.289 -3.388 -10.769 1.00 20.13 C ATOM 1790 CG ASN B 91 -43.254 -2.500 -10.014 1.00 27.28 C ATOM 1791 OD1 ASN B 91 -43.191 -1.276 -10.098 1.00 28.90 O ATOM 1792 ND2 ASN B 91 -44.158 -3.119 -9.264 1.00 35.92 N ATOM 1793 HD22 ASN B 91 -44.175 -4.158 -9.222 1.00 0.00 H ATOM 1794 HD21 ASN B 91 -44.849 -2.565 -8.719 1.00 0.00 H ATOM 1795 H ASN B 91 -40.978 -1.778 -9.173 1.00 0.00 H ATOM 1796 N LYS B 92 -41.043 -0.420 -12.155 1.00 16.20 N ATOM 1797 CA LYS B 92 -41.135 0.519 -13.264 1.00 16.07 C ATOM 1798 C LYS B 92 -39.780 0.864 -13.868 1.00 15.56 C ATOM 1799 O LYS B 92 -39.724 1.638 -14.828 1.00 17.56 O ATOM 1800 CB LYS B 92 -41.860 1.798 -12.837 1.00 19.63 C ATOM 1801 CG LYS B 92 -43.356 1.623 -12.632 1.00 25.85 C ATOM 1802 CD LYS B 92 -44.037 2.967 -12.451 1.00 34.00 C ATOM 1803 CE LYS B 92 -43.693 3.910 -13.595 1.00 33.91 C ATOM 1804 NZ LYS B 92 -44.386 5.224 -13.474 1.00 42.44 N ATOM 1805 HZ1 LYS B 92 -45.415 5.074 -13.479 1.00 0.00 H ATOM 1806 HZ2 LYS B 92 -44.105 5.682 -12.583 1.00 0.00 H ATOM 1807 HZ3 LYS B 92 -44.119 5.830 -14.276 1.00 0.00 H ATOM 1808 H LYS B 92 -40.838 -0.059 -11.201 1.00 0.00 H ATOM 1809 N GLY B 93 -38.695 0.329 -13.325 1.00 14.35 N ATOM 1810 CA GLY B 93 -37.372 0.530 -13.878 1.00 14.62 C ATOM 1811 C GLY B 93 -36.450 1.260 -12.919 1.00 13.62 C ATOM 1812 O GLY B 93 -36.802 1.571 -11.782 1.00 13.68 O ATOM 1813 H GLY B 93 -38.798 -0.256 -12.471 1.00 0.00 H ATOM 1814 N TYR B 94 -35.242 1.523 -13.410 1.00 11.86 N ATOM 1815 CA TYR B 94 -34.171 2.080 -12.593 1.00 11.53 C ATOM 1816 C TYR B 94 -32.994 2.397 -13.505 1.00 8.96 C ATOM 1817 O TYR B 94 -32.998 2.078 -14.697 1.00 10.54 O ATOM 1818 CB TYR B 94 -33.754 1.119 -11.472 1.00 11.13 C ATOM 1819 CG TYR B 94 -33.529 -0.304 -11.928 1.00 10.66 C ATOM 1820 CD1 TYR B 94 -32.310 -0.705 -12.460 1.00 11.55 C ATOM 1821 CD2 TYR B 94 -34.533 -1.253 -11.802 1.00 12.92 C ATOM 1822 CE1 TYR B 94 -32.107 -2.004 -12.875 1.00 12.73 C ATOM 1823 CE2 TYR B 94 -34.338 -2.550 -12.206 1.00 12.72 C ATOM 1824 CZ TYR B 94 -33.124 -2.921 -12.742 1.00 11.19 C ATOM 1825 OH TYR B 94 -32.922 -4.218 -13.152 1.00 13.27 O ATOM 1826 HH TYR B 94 -33.041 -4.829 -12.382 1.00 0.00 H ATOM 1827 H TYR B 94 -35.055 1.324 -14.413 1.00 0.00 H ATOM 1828 N ARG B 95 -31.990 3.054 -12.927 1.00 9.10 N ATOM 1829 CA ARG B 95 -30.774 3.431 -13.637 1.00 8.80 C ATOM 1830 C ARG B 95 -29.577 2.935 -12.840 1.00 8.81 C ATOM 1831 O ARG B 95 -29.522 3.127 -11.617 1.00 9.26 O ATOM 1832 CB ARG B 95 -30.694 4.951 -13.819 1.00 9.10 C ATOM 1833 CG ARG B 95 -29.386 5.421 -14.444 1.00 8.78 C ATOM 1834 CD ARG B 95 -29.493 6.846 -14.929 1.00 8.08 C ATOM 1835 NE ARG B 95 -30.450 6.920 -16.028 1.00 9.33 N ATOM 1836 CZ ARG B 95 -31.023 8.035 -16.467 1.00 7.97 C ATOM 1837 NH1 ARG B 95 -30.748 9.195 -15.901 1.00 10.39 N ATOM 1838 NH2 ARG B 95 -31.884 7.980 -17.468 1.00 9.81 N ATOM 1839 HE ARG B 95 -30.703 6.031 -16.504 1.00 0.00 H ATOM 1840 HH12 ARG B 95 -31.200 10.064 -16.250 1.00 0.00 H ATOM 1841 HH11 ARG B 95 -30.079 9.240 -15.106 1.00 0.00 H ATOM 1842 HH22 ARG B 95 -32.335 8.851 -17.815 1.00 0.00 H ATOM 1843 HH21 ARG B 95 -32.111 7.066 -17.909 1.00 0.00 H ATOM 1844 H ARG B 95 -32.078 3.310 -11.923 1.00 0.00 H ATOM 1845 N MET B 96 -28.624 2.307 -13.523 1.00 8.40 N ATOM 1846 CA MET B 96 -27.363 1.888 -12.925 1.00 8.10 C ATOM 1847 C MET B 96 -26.250 2.809 -13.394 1.00 7.71 C ATOM 1848 O MET B 96 -26.198 3.175 -14.572 1.00 7.86 O ATOM 1849 CB MET B 96 -27.014 0.469 -13.347 1.00 7.60 C ATOM 1850 CG MET B 96 -27.963 -0.560 -12.783 1.00 11.01 C ATOM 1851 SD MET B 96 -27.603 -2.206 -13.379 1.00 11.34 S ATOM 1852 CE MET B 96 -28.418 -3.194 -12.132 1.00 14.01 C ATOM 1853 H MET B 96 -28.786 2.106 -14.530 1.00 0.00 H ATOM 1854 N VAL B 97 -25.349 3.176 -12.488 1.00 7.53 N ATOM 1855 CA VAL B 97 -24.318 4.165 -12.800 1.00 7.35 C ATOM 1856 C VAL B 97 -22.993 3.736 -12.190 1.00 6.56 C ATOM 1857 O VAL B 97 -22.941 3.367 -11.014 1.00 7.93 O ATOM 1858 CB VAL B 97 -24.693 5.565 -12.271 1.00 7.58 C ATOM 1859 CG1 VAL B 97 -23.630 6.593 -12.655 1.00 10.51 C ATOM 1860 CG2 VAL B 97 -26.050 5.991 -12.803 1.00 9.05 C ATOM 1861 H VAL B 97 -25.378 2.752 -11.539 1.00 0.00 H ATOM 1862 N VAL B 98 -21.916 3.819 -12.968 1.00 7.52 N ATOM 1863 CA VAL B 98 -20.557 3.744 -12.439 1.00 8.33 C ATOM 1864 C VAL B 98 -19.842 5.037 -12.810 1.00 8.18 C ATOM 1865 O VAL B 98 -19.775 5.399 -13.994 1.00 8.65 O ATOM 1866 CB VAL B 98 -19.792 2.528 -12.983 1.00 8.55 C ATOM 1867 CG1 VAL B 98 -18.370 2.505 -12.426 1.00 10.53 C ATOM 1868 CG2 VAL B 98 -20.510 1.238 -12.634 1.00 11.54 C ATOM 1869 H VAL B 98 -22.048 3.942 -13.992 1.00 0.00 H ATOM 1870 N ASN B 99 -19.304 5.725 -11.809 1.00 8.01 N ATOM 1871 CA ASN B 99 -18.545 6.953 -12.021 1.00 9.34 C ATOM 1872 C ASN B 99 -17.052 6.656 -12.000 1.00 8.92 C ATOM 1873 O ASN B 99 -16.578 5.904 -11.143 1.00 9.59 O ATOM 1874 CB ASN B 99 -18.846 7.974 -10.922 1.00 8.49 C ATOM 1875 CG ASN B 99 -20.294 8.411 -10.909 1.00 9.40 C ATOM 1876 OD1 ASN B 99 -20.955 8.424 -11.942 1.00 9.79 O ATOM 1877 ND2 ASN B 99 -20.795 8.770 -9.736 1.00 11.75 N ATOM 1878 HD22 ASN B 99 -20.197 8.743 -8.885 1.00 0.00 H ATOM 1879 HD21 ASN B 99 -21.786 9.078 -9.666 1.00 0.00 H ATOM 1880 H ASN B 99 -19.429 5.375 -10.838 1.00 0.00 H ATOM 1881 N GLU B 100 -16.309 7.267 -12.926 1.00 8.53 N ATOM 1882 CA GLU B 100 -14.857 7.139 -13.001 1.00 9.75 C ATOM 1883 C GLU B 100 -14.215 8.518 -12.956 1.00 8.81 C ATOM 1884 O GLU B 100 -14.493 9.371 -13.807 1.00 9.06 O ATOM 1885 CB GLU B 100 -14.433 6.424 -14.285 1.00 9.58 C ATOM 1886 CG GLU B 100 -12.950 6.556 -14.615 1.00 10.81 C ATOM 1887 CD GLU B 100 -12.036 5.758 -13.707 1.00 13.08 C ATOM 1888 OE1 GLU B 100 -12.465 4.713 -13.170 1.00 12.58 O ATOM 1889 OE2 GLU B 100 -10.869 6.169 -13.536 1.00 15.28 O ATOM 1890 H GLU B 100 -16.789 7.864 -13.629 1.00 0.00 H ATOM 1891 N GLY B 101 -13.336 8.727 -11.981 1.00 9.98 N ATOM 1892 CA GLY B 101 -12.497 9.907 -12.005 1.00 11.58 C ATOM 1893 C GLY B 101 -13.235 11.208 -11.733 1.00 10.56 C ATOM 1894 O GLY B 101 -14.399 11.253 -11.333 1.00 9.93 O ATOM 1895 H GLY B 101 -13.251 8.044 -11.202 1.00 0.00 H ATOM 1896 N SER B 102 -12.509 12.300 -11.978 1.00 12.15 N ATOM 1897 CA SER B 102 -13.034 13.616 -11.633 1.00 12.12 C ATOM 1898 C SER B 102 -14.202 14.010 -12.532 1.00 9.94 C ATOM 1899 O SER B 102 -15.246 14.453 -12.040 1.00 10.51 O ATOM 1900 CB SER B 102 -11.923 14.668 -11.649 1.00 18.63 C ATOM 1901 OG SER B 102 -11.418 14.867 -12.952 1.00 20.01 O ATOM 1902 HG SER B 102 -12.149 15.174 -13.545 1.00 0.00 H ATOM 1903 H SER B 102 -11.569 12.213 -12.415 1.00 0.00 H ATOM 1904 N ASP B 103 -14.060 13.845 -13.852 1.00 10.38 N ATOM 1905 CA ASP B 103 -15.177 14.173 -14.738 1.00 9.84 C ATOM 1906 C ASP B 103 -16.374 13.268 -14.490 1.00 9.18 C ATOM 1907 O ASP B 103 -17.520 13.689 -14.669 1.00 9.94 O ATOM 1908 CB ASP B 103 -14.773 14.065 -16.211 1.00 12.14 C ATOM 1909 CG ASP B 103 -14.170 15.344 -16.762 1.00 13.51 C ATOM 1910 OD1 ASP B 103 -14.121 16.360 -16.039 1.00 14.17 O ATOM 1911 OD2 ASP B 103 -13.748 15.327 -17.941 1.00 14.34 O ATOM 1912 H ASP B 103 -13.165 13.488 -14.244 1.00 0.00 H ATOM 1913 N GLY B 104 -16.133 12.015 -14.101 1.00 9.27 N ATOM 1914 CA GLY B 104 -17.240 11.127 -13.793 1.00 9.42 C ATOM 1915 C GLY B 104 -17.907 11.412 -12.473 1.00 9.53 C ATOM 1916 O GLY B 104 -18.982 10.862 -12.208 1.00 10.80 O ATOM 1917 H GLY B 104 -15.154 11.675 -14.018 1.00 0.00 H ATOM 1918 N GLY B 105 -17.299 12.250 -11.643 1.00 8.67 N ATOM 1919 CA GLY B 105 -17.867 12.547 -10.347 1.00 10.97 C ATOM 1920 C GLY B 105 -17.693 11.438 -9.340 1.00 10.42 C ATOM 1921 O GLY B 105 -18.505 11.322 -8.416 1.00 11.58 O ATOM 1922 H GLY B 105 -16.405 12.698 -11.928 1.00 0.00 H ATOM 1923 N GLN B 106 -16.660 10.611 -9.492 1.00 9.10 N ATOM 1924 CA GLN B 106 -16.456 9.490 -8.585 1.00 9.48 C ATOM 1925 C GLN B 106 -16.122 10.012 -7.195 1.00 11.53 C ATOM 1926 O GLN B 106 -15.147 10.751 -7.026 1.00 12.81 O ATOM 1927 CB GLN B 106 -15.320 8.611 -9.097 1.00 10.51 C ATOM 1928 CG GLN B 106 -15.112 7.381 -8.241 1.00 10.96 C ATOM 1929 CD GLN B 106 -14.036 6.450 -8.768 1.00 9.41 C ATOM 1930 OE1 GLN B 106 -13.438 6.682 -9.817 1.00 11.33 O ATOM 1931 NE2 GLN B 106 -13.798 5.372 -8.044 1.00 10.67 N ATOM 1932 HE22 GLN B 106 -14.325 5.211 -7.162 1.00 0.00 H ATOM 1933 HE21 GLN B 106 -13.083 4.684 -8.356 1.00 0.00 H ATOM 1934 H GLN B 106 -15.989 10.768 -10.271 1.00 0.00 H ATOM 1935 N SER B 107 -16.920 9.625 -6.203 1.00 9.55 N ATOM 1936 CA SER B 107 -16.792 10.205 -4.870 1.00 9.37 C ATOM 1937 C SER B 107 -15.941 9.392 -3.911 1.00 9.54 C ATOM 1938 O SER B 107 -15.462 9.953 -2.917 1.00 11.39 O ATOM 1939 CB SER B 107 -18.173 10.397 -4.241 1.00 14.45 C ATOM 1940 OG SER B 107 -18.822 9.148 -4.103 1.00 19.45 O ATOM 1941 HG SER B 107 -18.926 8.731 -4.995 1.00 0.00 H ATOM 1942 H SER B 107 -17.644 8.900 -6.380 1.00 0.00 H ATOM 1943 N VAL B 108 -15.802 8.087 -4.138 1.00 9.49 N ATOM 1944 CA VAL B 108 -15.016 7.184 -3.299 1.00 9.00 C ATOM 1945 C VAL B 108 -14.209 6.304 -4.239 1.00 8.49 C ATOM 1946 O VAL B 108 -14.762 5.754 -5.195 1.00 8.97 O ATOM 1947 CB VAL B 108 -15.911 6.296 -2.408 1.00 9.74 C ATOM 1948 CG1 VAL B 108 -15.062 5.333 -1.592 1.00 9.46 C ATOM 1949 CG2 VAL B 108 -16.784 7.144 -1.493 1.00 10.06 C ATOM 1950 H VAL B 108 -16.284 7.684 -4.967 1.00 0.00 H ATOM 1951 N TYR B 109 -12.916 6.157 -3.966 1.00 8.72 N ATOM 1952 CA TYR B 109 -12.047 5.334 -4.812 1.00 10.29 C ATOM 1953 C TYR B 109 -12.055 3.864 -4.372 1.00 9.40 C ATOM 1954 O TYR B 109 -11.054 3.256 -3.989 1.00 10.55 O ATOM 1955 CB TYR B 109 -10.660 5.953 -4.946 1.00 13.56 C ATOM 1956 CG TYR B 109 -10.698 7.053 -5.993 1.00 12.27 C ATOM 1957 CD1 TYR B 109 -11.094 8.346 -5.677 1.00 19.00 C ATOM 1958 CD2 TYR B 109 -10.432 6.762 -7.327 1.00 16.24 C ATOM 1959 CE1 TYR B 109 -11.167 9.334 -6.662 1.00 20.46 C ATOM 1960 CE2 TYR B 109 -10.501 7.738 -8.309 1.00 17.92 C ATOM 1961 CZ TYR B 109 -10.869 9.017 -7.973 1.00 16.33 C ATOM 1962 OH TYR B 109 -10.938 9.977 -8.964 1.00 20.28 O ATOM 1963 HH TYR B 109 -11.215 10.840 -8.567 1.00 0.00 H ATOM 1964 H TYR B 109 -12.513 6.636 -3.135 1.00 0.00 H ATOM 1965 N HIS B 110 -13.264 3.316 -4.435 1.00 9.47 N ATOM 1966 CA HIS B 110 -13.538 1.890 -4.352 1.00 8.39 C ATOM 1967 C HIS B 110 -14.699 1.703 -5.311 1.00 9.35 C ATOM 1968 O HIS B 110 -15.732 2.358 -5.146 1.00 9.60 O ATOM 1969 CB HIS B 110 -13.942 1.520 -2.919 1.00 10.14 C ATOM 1970 CG HIS B 110 -14.129 0.052 -2.699 1.00 8.74 C ATOM 1971 ND1 HIS B 110 -13.410 -0.653 -1.760 1.00 10.54 N ATOM 1972 CD2 HIS B 110 -14.970 -0.837 -3.279 1.00 10.78 C ATOM 1973 CE1 HIS B 110 -13.786 -1.920 -1.786 1.00 10.70 C ATOM 1974 NE2 HIS B 110 -14.738 -2.057 -2.693 1.00 9.71 N ATOM 1975 H HIS B 110 -14.076 3.955 -4.553 1.00 0.00 H ATOM 1976 N VAL B 111 -14.532 0.844 -6.321 1.00 8.46 N ATOM 1977 CA VAL B 111 -15.530 0.694 -7.385 1.00 8.96 C ATOM 1978 C VAL B 111 -16.904 0.470 -6.783 1.00 8.21 C ATOM 1979 O VAL B 111 -17.053 -0.351 -5.866 1.00 9.27 O ATOM 1980 CB VAL B 111 -15.148 -0.491 -8.291 1.00 10.02 C ATOM 1981 CG1 VAL B 111 -16.347 -0.953 -9.127 1.00 10.21 C ATOM 1982 CG2 VAL B 111 -13.996 -0.117 -9.182 1.00 9.00 C ATOM 1983 H VAL B 111 -13.669 0.265 -6.353 1.00 0.00 H ATOM 1984 N HIS B 112 -17.916 1.163 -7.305 1.00 7.83 N ATOM 1985 CA HIS B 112 -19.268 1.020 -6.792 1.00 8.95 C ATOM 1986 C HIS B 112 -20.268 1.248 -7.912 1.00 8.70 C ATOM 1987 O HIS B 112 -20.101 2.147 -8.746 1.00 9.47 O ATOM 1988 CB HIS B 112 -19.560 1.935 -5.586 1.00 9.05 C ATOM 1989 CG HIS B 112 -19.239 3.382 -5.802 1.00 9.19 C ATOM 1990 ND1 HIS B 112 -17.950 3.869 -5.808 1.00 9.50 N ATOM 1991 CD2 HIS B 112 -20.048 4.460 -5.956 1.00 10.90 C ATOM 1992 CE1 HIS B 112 -17.976 5.181 -5.986 1.00 10.76 C ATOM 1993 NE2 HIS B 112 -19.238 5.563 -6.089 1.00 11.78 N ATOM 1994 H HIS B 112 -17.735 1.817 -8.093 1.00 0.00 H ATOM 1995 N LEU B 113 -21.303 0.425 -7.918 1.00 7.53 N ATOM 1996 CA LEU B 113 -22.411 0.528 -8.853 1.00 7.66 C ATOM 1997 C LEU B 113 -23.587 1.174 -8.131 1.00 7.37 C ATOM 1998 O LEU B 113 -24.106 0.607 -7.163 1.00 9.91 O ATOM 1999 CB LEU B 113 -22.799 -0.870 -9.330 1.00 8.59 C ATOM 2000 CG LEU B 113 -23.983 -0.970 -10.292 1.00 9.53 C ATOM 2001 CD1 LEU B 113 -23.608 -0.402 -11.646 1.00 10.61 C ATOM 2002 CD2 LEU B 113 -24.440 -2.415 -10.408 1.00 11.63 C ATOM 2003 H LEU B 113 -21.325 -0.340 -7.213 1.00 0.00 H ATOM 2004 N HIS B 114 -23.996 2.358 -8.584 1.00 8.17 N ATOM 2005 CA HIS B 114 -25.217 2.977 -8.084 1.00 7.99 C ATOM 2006 C HIS B 114 -26.421 2.357 -8.771 1.00 7.75 C ATOM 2007 O HIS B 114 -26.389 2.083 -9.976 1.00 9.15 O ATOM 2008 CB HIS B 114 -25.270 4.454 -8.455 1.00 8.95 C ATOM 2009 CG HIS B 114 -24.201 5.286 -7.845 1.00 8.64 C ATOM 2010 ND1 HIS B 114 -24.398 6.012 -6.692 1.00 10.63 N ATOM 2011 CD2 HIS B 114 -22.945 5.567 -8.264 1.00 10.24 C ATOM 2012 CE1 HIS B 114 -23.292 6.677 -6.406 1.00 10.87 C ATOM 2013 NE2 HIS B 114 -22.397 6.426 -7.346 1.00 11.88 N ATOM 2014 H HIS B 114 -23.434 2.850 -9.308 1.00 0.00 H ATOM 2015 N VAL B 115 -27.505 2.178 -8.014 1.00 8.65 N ATOM 2016 CA VAL B 115 -28.800 1.798 -8.568 1.00 9.10 C ATOM 2017 C VAL B 115 -29.843 2.761 -8.018 1.00 9.28 C ATOM 2018 O VAL B 115 -30.013 2.864 -6.794 1.00 9.87 O ATOM 2019 CB VAL B 115 -29.171 0.344 -8.240 1.00 9.81 C ATOM 2020 CG1 VAL B 115 -30.465 -0.045 -8.926 1.00 11.57 C ATOM 2021 CG2 VAL B 115 -28.042 -0.616 -8.624 1.00 10.54 C ATOM 2022 H VAL B 115 -27.423 2.315 -6.986 1.00 0.00 H ATOM 2023 N LEU B 116 -30.540 3.458 -8.908 1.00 9.19 N ATOM 2024 CA LEU B 116 -31.480 4.501 -8.521 1.00 9.69 C ATOM 2025 C LEU B 116 -32.828 4.247 -9.170 1.00 9.64 C ATOM 2026 O LEU B 116 -32.905 3.944 -10.365 1.00 10.86 O ATOM 2027 CB LEU B 116 -30.995 5.879 -8.986 1.00 11.03 C ATOM 2028 CG LEU B 116 -29.604 6.323 -8.540 1.00 11.46 C ATOM 2029 CD1 LEU B 116 -28.568 6.099 -9.630 1.00 12.53 C ATOM 2030 CD2 LEU B 116 -29.635 7.775 -8.134 1.00 14.76 C ATOM 2031 H LEU B 116 -30.410 3.251 -9.919 1.00 0.00 H ATOM 2032 N GLY B 117 -33.891 4.384 -8.387 1.00 10.55 N ATOM 2033 CA GLY B 117 -35.220 4.250 -8.949 1.00 12.43 C ATOM 2034 C GLY B 117 -36.269 4.786 -8.001 1.00 12.06 C ATOM 2035 O GLY B 117 -35.961 5.431 -6.998 1.00 12.54 O ATOM 2036 H GLY B 117 -33.771 4.587 -7.374 1.00 0.00 H ATOM 2037 N GLY B 118 -37.526 4.514 -8.336 1.00 12.93 N ATOM 2038 CA GLY B 118 -38.633 5.052 -7.574 1.00 13.80 C ATOM 2039 C GLY B 118 -39.066 6.432 -8.009 1.00 15.42 C ATOM 2040 O GLY B 118 -39.948 7.024 -7.369 1.00 16.18 O ATOM 2041 H GLY B 118 -37.717 3.906 -9.158 1.00 0.00 H ATOM 2042 N ARG B 119 -38.447 6.972 -9.054 1.00 13.11 N ATOM 2043 CA ARG B 119 -38.874 8.204 -9.696 1.00 15.63 C ATOM 2044 C ARG B 119 -38.426 8.120 -11.144 1.00 13.59 C ATOM 2045 O ARG B 119 -37.608 7.270 -11.510 1.00 14.03 O ATOM 2046 CB ARG B 119 -38.265 9.442 -9.024 1.00 15.46 C ATOM 2047 CG ARG B 119 -36.744 9.555 -9.145 1.00 12.84 C ATOM 2048 CD ARG B 119 -36.299 10.960 -8.773 1.00 15.25 C ATOM 2049 NE ARG B 119 -34.850 11.130 -8.699 1.00 13.70 N ATOM 2050 CZ ARG B 119 -34.072 11.465 -9.725 1.00 12.52 C ATOM 2051 NH1 ARG B 119 -34.587 11.630 -10.938 1.00 13.04 N ATOM 2052 NH2 ARG B 119 -32.766 11.623 -9.539 1.00 13.34 N ATOM 2053 HE ARG B 119 -34.393 10.978 -7.777 1.00 0.00 H ATOM 2054 HH12 ARG B 119 -33.970 11.892 -11.734 1.00 0.00 H ATOM 2055 HH11 ARG B 119 -35.607 11.497 -11.092 1.00 0.00 H ATOM 2056 HH22 ARG B 119 -32.155 11.885 -10.339 1.00 0.00 H ATOM 2057 HH21 ARG B 119 -32.355 11.485 -8.594 1.00 0.00 H ATOM 2058 H ARG B 119 -37.610 6.485 -9.434 1.00 0.00 H ATOM 2059 N GLN B 120 -38.975 8.996 -11.975 1.00 14.29 N ATOM 2060 CA GLN B 120 -38.482 9.103 -13.336 1.00 12.81 C ATOM 2061 C GLN B 120 -37.051 9.623 -13.314 1.00 13.65 C ATOM 2062 O GLN B 120 -36.766 10.664 -12.712 1.00 13.82 O ATOM 2063 CB GLN B 120 -39.353 10.067 -14.137 1.00 14.67 C ATOM 2064 CG GLN B 120 -38.903 10.209 -15.581 1.00 15.04 C ATOM 2065 CD GLN B 120 -39.098 8.929 -16.370 1.00 17.64 C ATOM 2066 OE1 GLN B 120 -40.227 8.471 -16.555 1.00 18.28 O ATOM 2067 NE2 GLN B 120 -37.998 8.330 -16.824 1.00 14.56 N ATOM 2068 HE22 GLN B 120 -37.064 8.752 -16.645 1.00 0.00 H ATOM 2069 HE21 GLN B 120 -38.073 7.440 -17.358 1.00 0.00 H ATOM 2070 H GLN B 120 -39.755 9.603 -11.653 1.00 0.00 H ATOM 2071 N MET B 121 -36.149 8.888 -13.958 1.00 12.24 N ATOM 2072 CA MET B 121 -34.790 9.358 -14.179 1.00 11.02 C ATOM 2073 C MET B 121 -34.742 10.106 -15.504 1.00 13.00 C ATOM 2074 O MET B 121 -35.398 9.711 -16.471 1.00 13.27 O ATOM 2075 CB MET B 121 -33.810 8.182 -14.186 1.00 12.22 C ATOM 2076 CG MET B 121 -33.908 7.312 -12.932 1.00 12.28 C ATOM 2077 SD MET B 121 -33.588 8.166 -11.374 1.00 13.55 S ATOM 2078 CE MET B 121 -31.881 8.649 -11.599 1.00 14.34 C ATOM 2079 H MET B 121 -36.423 7.950 -14.314 1.00 0.00 H ATOM 2080 N HIS B 122 -33.972 11.186 -15.544 1.00 11.26 N ATOM 2081 CA HIS B 122 -34.024 12.141 -16.641 1.00 11.36 C ATOM 2082 C HIS B 122 -32.777 12.047 -17.511 1.00 11.95 C ATOM 2083 O HIS B 122 -31.819 11.332 -17.200 1.00 11.44 O ATOM 2084 CB HIS B 122 -34.216 13.561 -16.094 1.00 13.68 C ATOM 2085 CG HIS B 122 -35.400 13.691 -15.190 1.00 16.89 C ATOM 2086 ND1 HIS B 122 -36.697 13.570 -15.642 1.00 23.70 N ATOM 2087 CD2 HIS B 122 -35.485 13.901 -13.856 1.00 23.66 C ATOM 2088 CE1 HIS B 122 -37.529 13.715 -14.627 1.00 21.38 C ATOM 2089 NE2 HIS B 122 -36.820 13.919 -13.533 1.00 25.88 N ATOM 2090 H HIS B 122 -33.307 11.356 -14.763 1.00 0.00 H ATOM 2091 N TRP B 123 -32.815 12.760 -18.629 1.00 11.48 N ATOM 2092 CA TRP B 123 -31.744 12.708 -19.613 1.00 10.31 C ATOM 2093 C TRP B 123 -31.386 14.146 -19.945 1.00 11.46 C ATOM 2094 O TRP B 123 -32.279 14.958 -20.185 1.00 14.40 O ATOM 2095 CB TRP B 123 -32.224 11.962 -20.860 1.00 11.20 C ATOM 2096 CG TRP B 123 -31.154 11.304 -21.680 1.00 10.67 C ATOM 2097 CD1 TRP B 123 -30.821 11.589 -22.974 1.00 12.52 C ATOM 2098 CD2 TRP B 123 -30.295 10.230 -21.271 1.00 10.05 C ATOM 2099 NE1 TRP B 123 -29.809 10.759 -23.399 1.00 12.20 N ATOM 2100 CE2 TRP B 123 -29.465 9.918 -22.370 1.00 11.08 C ATOM 2101 CE3 TRP B 123 -30.147 9.503 -20.085 1.00 11.06 C ATOM 2102 CZ2 TRP B 123 -28.504 8.907 -22.317 1.00 10.68 C ATOM 2103 CZ3 TRP B 123 -29.193 8.502 -20.033 1.00 11.20 C ATOM 2104 CH2 TRP B 123 -28.385 8.209 -21.143 1.00 10.69 C ATOM 2105 HE1 TRP B 123 -29.376 10.767 -24.344 1.00 0.00 H ATOM 2106 H TRP B 123 -33.635 13.375 -18.808 1.00 0.00 H ATOM 2107 N PRO B 124 -30.091 14.487 -19.963 1.00 10.61 N ATOM 2108 CA PRO B 124 -28.900 13.644 -19.790 1.00 11.82 C ATOM 2109 C PRO B 124 -28.719 13.134 -18.362 1.00 9.56 C ATOM 2110 O PRO B 124 -29.296 13.698 -17.438 1.00 10.48 O ATOM 2111 CB PRO B 124 -27.759 14.598 -20.152 1.00 12.31 C ATOM 2112 CG PRO B 124 -28.282 15.947 -19.771 1.00 13.61 C ATOM 2113 CD PRO B 124 -29.730 15.902 -20.165 1.00 13.63 C ATOM 2114 N PRO B 125 -27.937 12.065 -18.190 1.00 8.95 N ATOM 2115 CA PRO B 125 -27.718 11.486 -16.856 1.00 9.60 C ATOM 2116 C PRO B 125 -26.640 12.247 -16.092 1.00 9.97 C ATOM 2117 O PRO B 125 -25.589 11.704 -15.740 1.00 10.89 O ATOM 2118 CB PRO B 125 -27.289 10.055 -17.201 1.00 10.21 C ATOM 2119 CG PRO B 125 -26.468 10.252 -18.445 1.00 9.77 C ATOM 2120 CD PRO B 125 -27.164 11.351 -19.226 1.00 10.41 C ATOM 2121 N GLY B 126 -26.908 13.525 -15.831 1.00 9.69 N ATOM 2122 CA GLY B 126 -25.902 14.419 -15.290 1.00 12.01 C ATOM 2123 C GLY B 126 -25.079 15.023 -16.411 1.00 12.18 C ATOM 2124 O GLY B 126 -24.049 15.671 -16.170 1.00 12.42 O ATOM 2125 OXT GLY B 126 -25.430 14.873 -17.598 1.00 14.99 O ATOM 2126 H GLY B 126 -27.863 13.891 -16.020 1.00 0.00 H TER 2127 GLY B 126 HETATM 2128 O HOH 1 -13.695 -8.757 -20.121 1.00 18.26 O HETATM 2129 O HOH 2 -13.453 17.136 -13.493 1.00 18.59 O HETATM 2130 O HOH 3 -12.635 11.797 -8.507 1.00 26.41 O HETATM 2131 O HOH 4 -14.182 -12.078 -11.928 1.00 16.44 O HETATM 2132 O HOH 5 -11.701 -10.595 -9.881 1.00 24.88 O HETATM 2133 O HOH 6 -22.000 7.228 -2.824 1.00 24.14 O HETATM 2134 O HOH 7 -12.660 16.685 -19.930 1.00 22.21 O HETATM 2135 O HOH 8 -11.788 0.656 0.162 1.00 13.11 O HETATM 2136 O HOH 9 -8.371 -5.797 -9.999 1.00 31.52 O HETATM 2137 O HOH 10 -24.855 -14.312 -4.485 1.00 11.55 O HETATM 2138 O HOH 11 -7.813 -1.582 0.618 1.00 34.19 O HETATM 2139 O HOH 12 -13.663 13.157 -19.519 1.00 11.75 O HETATM 2140 O HOH 13 -15.460 -17.525 -1.087 1.00 13.04 O HETATM 2141 O HOH 14 -29.115 9.019 4.930 1.00 28.05 O HETATM 2142 O HOH 15 -23.216 9.449 -1.524 1.00 14.80 O HETATM 2143 O HOH 16 -9.979 -0.783 1.690 1.00 26.67 O HETATM 2144 O HOH 17 -11.887 -4.687 11.077 1.00 18.23 O HETATM 2145 O HOH 18 -27.901 12.245 3.869 1.00 25.49 O HETATM 2146 O HOH 19 -8.653 -4.598 -18.040 1.00 29.26 O HETATM 2147 O HOH 20 -19.404 4.751 -9.128 1.00 10.15 O HETATM 2148 O HOH 21 -25.199 -8.877 5.574 1.00 18.42 O HETATM 2149 O HOH 22 -30.859 15.741 -16.541 1.00 22.99 O HETATM 2150 O HOH 23 -30.660 5.503 0.579 1.00 19.91 O HETATM 2151 O HOH 24 -14.661 3.966 -11.032 1.00 13.42 O HETATM 2152 O HOH 25 -34.580 -5.981 -11.881 1.00 13.83 O HETATM 2153 O HOH 26 -32.625 3.742 -0.841 1.00 15.43 O HETATM 2154 O HOH 27 -38.783 3.588 -4.260 1.00 23.00 O HETATM 2155 O HOH 28 -27.458 16.084 -5.476 1.00 28.65 O HETATM 2156 O HOH 29 -14.891 -9.052 -4.497 1.00 13.11 O HETATM 2157 O HOH 30 -6.649 4.971 -14.344 1.00 30.79 O HETATM 2158 O HOH 31 -10.080 8.534 -14.715 1.00 25.35 O HETATM 2159 O HOH 32 -16.544 -10.067 4.067 1.00 24.45 O HETATM 2160 O HOH 33 -26.926 2.747 4.461 1.00 15.83 O HETATM 2161 O HOH 34 -26.948 -14.165 -8.405 1.00 31.56 O HETATM 2162 O HOH 35 -21.240 -2.022 7.764 1.00 12.92 O HETATM 2163 O HOH 36 -30.538 12.741 0.171 1.00 27.12 O HETATM 2164 O HOH 37 -19.552 8.128 -7.120 1.00 12.59 O HETATM 2165 O HOH 38 -32.547 -6.909 2.752 1.00 34.74 O HETATM 2166 O HOH 39 -41.269 5.886 -5.192 1.00 29.75 O HETATM 2167 O HOH 40 -33.980 9.391 -18.854 1.00 14.37 O HETATM 2168 O HOH 41 -13.760 18.903 -17.161 1.00 24.35 O HETATM 2169 O HOH 42 -38.266 12.627 -11.387 1.00 24.99 O HETATM 2170 O HOH 43 -20.644 -0.967 12.539 1.00 22.40 O HETATM 2171 O HOH 44 -11.674 7.736 -1.976 1.00 13.08 O HETATM 2172 O HOH 45 -33.564 -2.623 2.466 1.00 23.62 O HETATM 2173 O HOH 46 -25.429 10.095 -3.847 1.00 17.22 O HETATM 2174 O HOH 47 -25.212 -14.710 0.142 1.00 11.40 O HETATM 2175 O HOH 48 -8.509 3.792 -2.843 1.00 25.73 O HETATM 2176 O HOH 49 -20.056 13.689 -8.149 1.00 12.65 O HETATM 2177 O HOH 50 -37.596 6.507 0.242 1.00 33.45 O HETATM 2178 O HOH 51 -26.222 -12.925 3.053 1.00 16.87 O HETATM 2179 O HOH 52 -17.592 -8.621 5.894 1.00 24.97 O HETATM 2180 O HOH 53 -19.017 2.792 14.047 1.00 27.93 O HETATM 2181 O HOH 54 -40.292 -5.575 -8.335 1.00 28.46 O HETATM 2182 O HOH 55 -8.075 2.404 -18.313 1.00 18.59 O HETATM 2183 O HOH 56 -37.726 -3.346 -13.324 1.00 31.75 O HETATM 2184 O HOH 57 -34.838 3.822 0.134 1.00 33.64 O HETATM 2185 O HOH 58 -23.238 4.276 5.910 1.00 15.33 O HETATM 2186 O HOH 59 -39.791 -4.304 -1.294 1.00 33.86 O HETATM 2187 O HOH 60 -14.180 13.213 -8.148 1.00 27.67 O HETATM 2188 O HOH 61 -41.390 9.515 -7.163 1.00 34.19 O HETATM 2189 O HOH 62 -10.228 7.359 2.140 1.00 22.98 O HETATM 2190 O HOH 63 -22.294 5.227 8.975 1.00 15.58 O HETATM 2191 O HOH 64 -28.145 13.863 1.260 1.00 28.22 O HETATM 2192 O HOH 65 -40.560 1.131 -9.760 1.00 19.24 O HETATM 2193 O HOH 66 -38.003 -0.552 -1.315 1.00 36.67 O HETATM 2194 O HOH 67 -41.118 10.724 -11.057 1.00 27.35 O HETATM 2195 O HOH 68 -23.139 -7.896 9.194 1.00 19.74 O HETATM 2196 O HOH 69 -16.592 -12.016 3.184 1.00 32.39 O HETATM 2197 O HOH 70 -8.765 -6.420 -1.962 1.00 26.55 O HETATM 2198 O HOH 71 -13.036 7.367 2.273 1.00 10.73 O HETATM 2199 O HOH 72 -7.252 -1.018 -7.522 1.00 19.54 O HETATM 2200 O HOH 73 -9.658 12.059 -12.594 1.00 24.12 O HETATM 2201 O HOH 74 -12.966 11.518 -5.224 1.00 22.94 O HETATM 2202 O HOH 75 -13.956 -13.183 -15.024 1.00 25.21 O HETATM 2203 O HOH 76 -7.369 -3.556 -10.102 1.00 35.03 O HETATM 2204 O HOH 77 -27.959 -3.484 7.915 1.00 21.43 O HETATM 2205 O HOH 78 -35.640 1.370 -1.074 1.00 28.22 O HETATM 2206 O HOH 79 -35.475 13.888 -19.302 1.00 22.08 O HETATM 2207 O HOH 80 -9.003 -1.508 10.175 1.00 36.12 O HETATM 2208 O HOH 81 -12.368 -5.575 1.838 1.00 37.99 O HETATM 2209 O HOH 82 -44.508 6.295 -16.307 1.00 41.76 O HETATM 2210 O HOH 83 -11.111 -8.400 -20.698 1.00 34.28 O HETATM 2211 O HOH 84 -11.102 -4.132 3.658 1.00 34.45 O HETATM 2212 O HOH 85 -42.846 9.691 -15.591 1.00 36.62 O HETATM 2213 O HOH 86 -17.224 -13.519 -9.191 1.00 20.91 O HETATM 2214 O HOH 87 -27.970 -10.952 2.263 1.00 19.35 O HETATM 2215 O HOH 88 -6.497 -10.000 -15.829 1.00 31.30 O HETATM 2216 O HOH 89 -16.811 3.476 -8.972 1.00 13.22 O HETATM 2217 O HOH 90 -21.641 9.560 -5.237 1.00 30.13 O HETATM 2218 O HOH 91 -37.068 -4.662 -11.003 1.00 29.09 O HETATM 2219 O HOH 92 -24.665 13.939 -2.905 1.00 25.25 O HETATM 2220 O HOH 93 -32.156 14.148 -6.460 1.00 29.46 O HETATM 2221 O HOH 94 -24.098 4.006 3.333 1.00 18.44 O HETATM 2222 O HOH 95 -37.216 0.815 4.488 1.00 34.44 O HETATM 2223 O HOH 96 -27.705 0.123 9.996 1.00 34.76 O HETATM 2224 O HOH 97 -34.320 -13.032 -15.016 1.00 33.19 O HETATM 2225 O HOH 98 -34.267 10.582 -1.683 1.00 33.08 O HETATM 2226 O HOH 99 -5.702 -7.364 -17.315 1.00 35.03 O HETATM 2227 O HOH 100 -34.270 -10.271 -10.651 1.00 25.93 O HETATM 2228 O HOH 101 -23.678 -2.542 9.054 1.00 24.83 O HETATM 2229 O HOH 102 -35.706 11.834 -5.555 1.00 24.12 O HETATM 2230 O HOH 103 -35.864 10.948 -3.065 1.00 31.19 O HETATM 2231 O HOH 104 -27.003 -13.091 -5.851 1.00 22.94 O HETATM 2232 O HOH 105 -14.599 -13.533 -9.669 1.00 22.11 O HETATM 2233 O HOH 106 -23.265 -16.087 -8.638 1.00 28.99 O HETATM 2234 O HOH 107 -26.616 3.234 9.213 1.00 32.13 O HETATM 2235 O HOH 108 -6.483 5.929 -6.298 1.00 39.18 O HETATM 2236 O HOH 109 -18.519 -16.728 -10.688 1.00 29.24 O HETATM 2237 O HOH 110 -25.923 4.331 6.514 1.00 31.18 O HETATM 2238 O HOH 111 -25.433 12.101 5.331 1.00 20.11 O HETATM 2239 O HOH 112 -27.903 -8.998 4.254 1.00 28.74 O HETATM 2240 O HOH 113 -38.746 -2.696 0.000 1.00 32.80 O HETATM 2241 O HOH 114 -33.124 5.240 1.125 1.00 37.61 O HETATM 2242 O HOH 115 -14.183 -16.398 -9.707 1.00 28.40 O HETATM 2243 O HOH 116 -13.820 7.043 6.628 1.00 20.20 O HETATM 2244 O HOH 117 -11.198 -2.955 1.139 1.00 35.21 O HETATM 2245 O HOH 118 -8.940 7.304 -1.165 1.00 34.42 O HETATM 2246 O HOH 119 -39.360 -6.117 -10.778 1.00 32.59 O HETATM 2247 O HOH 120 -30.200 12.567 4.760 1.00 32.29 O HETATM 2248 O HOH 121 -28.292 9.679 7.412 1.00 32.42 O HETATM 2249 O HOH 122 -32.187 3.863 4.315 1.00 39.32 O HETATM 2250 O HOH 123 -18.679 -17.885 -13.088 1.00 26.75 O HETATM 2251 O HOH 124 -31.847 9.256 4.071 1.00 38.47 O HETATM 2252 O HOH 125 -12.782 -12.050 -7.919 1.00 22.63 O HETATM 2253 O HOH 126 -4.820 10.076 -23.381 1.00 34.05 O HETATM 2254 O HOH 127 -6.281 7.551 -22.175 1.00 30.80 O HETATM 2255 O HOH 128 -38.097 -8.080 -21.562 1.00 31.51 O HETATM 2256 O HOH 129 -38.958 2.312 -21.724 1.00 25.71 O HETATM 2257 O HOH 130 -20.390 8.549 -42.420 1.00 37.99 O HETATM 2258 O HOH 131 -25.385 -14.654 -10.260 1.00 30.56 O HETATM 2259 O HOH 132 -25.297 4.774 -35.644 1.00 29.25 O HETATM 2260 O HOH 133 -21.741 -14.452 -19.822 1.00 15.76 O HETATM 2261 O HOH 134 -25.470 12.737 -34.517 1.00 34.55 O HETATM 2262 O HOH 135 -21.176 -6.114 -35.162 1.00 19.61 O HETATM 2263 O HOH 136 -41.567 6.156 -16.181 1.00 20.54 O HETATM 2264 O HOH 137 -38.339 -7.283 -16.044 1.00 31.65 O HETATM 2265 O HOH 138 -10.531 3.750 -18.667 1.00 12.76 O HETATM 2266 O HOH 139 -21.511 10.448 -30.476 1.00 16.42 O HETATM 2267 O HOH 140 -38.631 2.979 -10.378 1.00 14.79 O HETATM 2268 O HOH 141 -30.291 -13.282 -13.088 1.00 21.00 O HETATM 2269 O HOH 142 -8.554 16.173 -20.355 1.00 28.41 O HETATM 2270 O HOH 143 -32.511 -6.602 -31.166 1.00 13.89 O HETATM 2271 O HOH 144 -15.568 19.906 -22.035 1.00 16.93 O HETATM 2272 O HOH 145 -14.766 14.402 -26.140 1.00 16.82 O HETATM 2273 O HOH 146 -32.297 -3.973 -43.588 1.00 18.06 O HETATM 2274 O HOH 147 -12.719 -11.856 -30.434 1.00 31.51 O HETATM 2275 O HOH 148 -8.946 10.377 -14.320 1.00 30.97 O HETATM 2276 O HOH 149 -6.844 6.872 -19.434 1.00 35.91 O HETATM 2277 O HOH 150 -30.884 -14.201 -27.145 1.00 26.86 O HETATM 2278 O HOH 151 -18.489 -15.767 -28.597 1.00 20.01 O HETATM 2279 O HOH 152 -34.000 -6.752 -39.887 1.00 24.35 O HETATM 2280 O HOH 153 -11.869 -8.886 -26.928 1.00 25.09 O HETATM 2281 O HOH 154 -22.733 -11.419 -26.747 1.00 11.27 O HETATM 2282 O HOH 155 -41.788 5.556 -9.975 1.00 28.46 O HETATM 2283 O HOH 156 -22.745 5.427 -34.554 1.00 17.21 O HETATM 2284 O HOH 157 -35.680 -1.639 -35.490 1.00 12.01 O HETATM 2285 O HOH 158 -14.022 6.850 -32.693 1.00 18.35 O HETATM 2286 O HOH 159 -20.181 -13.581 -32.260 1.00 18.55 O HETATM 2287 O HOH 160 -10.998 13.114 -20.172 1.00 20.06 O HETATM 2288 O HOH 161 -27.951 16.591 -12.646 1.00 19.54 O HETATM 2289 O HOH 162 -19.447 -14.176 -21.797 1.00 25.36 O HETATM 2290 O HOH 163 -17.375 12.337 -29.893 1.00 15.26 O HETATM 2291 O HOH 164 -29.005 1.382 -21.117 1.00 12.24 O HETATM 2292 O HOH 165 -23.905 -14.546 -21.893 1.00 24.97 O HETATM 2293 O HOH 166 -6.696 -5.627 -23.665 1.00 39.76 O HETATM 2294 O HOH 167 -31.864 -2.500 -19.497 1.00 13.81 O HETATM 2295 O HOH 168 -28.869 10.119 -26.037 1.00 14.08 O HETATM 2296 O HOH 169 -11.962 -10.960 -24.457 1.00 35.26 O HETATM 2297 O HOH 170 -8.813 6.712 -30.417 1.00 29.59 O HETATM 2298 O HOH 171 -26.827 -15.040 -30.070 1.00 33.52 O HETATM 2299 O HOH 172 -38.444 -2.469 -15.752 1.00 26.49 O HETATM 2300 O HOH 173 -35.454 -8.602 -12.431 1.00 20.45 O HETATM 2301 O HOH 174 -40.703 -1.227 -20.101 1.00 24.23 O HETATM 2302 O HOH 175 -26.982 15.430 -29.185 1.00 26.77 O HETATM 2303 O HOH 176 -23.310 -1.228 -38.478 1.00 16.56 O HETATM 2304 O HOH 177 -20.373 20.005 -17.764 1.00 17.79 O HETATM 2305 O HOH 178 -40.728 -0.196 -17.618 1.00 22.72 O HETATM 2306 O HOH 179 -30.145 -13.865 -21.445 1.00 24.06 O HETATM 2307 O HOH 180 -10.677 -0.275 -30.866 1.00 32.82 O HETATM 2308 O HOH 181 -11.484 -7.803 -31.457 1.00 22.69 O HETATM 2309 O HOH 182 -31.346 9.052 -30.893 1.00 32.79 O HETATM 2310 O HOH 183 -19.106 10.256 -29.075 1.00 12.07 O HETATM 2311 O HOH 184 -29.136 0.902 -43.938 1.00 32.12 O HETATM 2312 O HOH 185 -19.930 21.821 -15.106 1.00 27.59 O HETATM 2313 O HOH 186 -15.408 -3.624 -36.492 1.00 18.14 O HETATM 2314 O HOH 187 -5.516 5.599 -28.376 1.00 33.86 O HETATM 2315 O HOH 188 -21.207 14.109 -10.717 1.00 10.40 O HETATM 2316 O HOH 189 -39.431 6.746 -20.127 1.00 31.32 O HETATM 2317 O HOH 190 -6.052 -1.536 -16.546 1.00 34.31 O HETATM 2318 O HOH 191 -32.636 -12.685 -21.075 1.00 27.01 O HETATM 2319 O HOH 192 -17.180 20.523 -18.075 1.00 17.83 O HETATM 2320 O HOH 193 -42.617 7.422 -12.642 1.00 33.43 O HETATM 2321 O HOH 194 -20.668 -15.259 -9.477 1.00 27.85 O HETATM 2322 O HOH 195 -38.680 -11.021 -40.466 1.00 22.01 O HETATM 2323 O HOH 196 -17.742 -2.320 -39.406 1.00 20.39 O HETATM 2324 O HOH 197 -20.938 -15.668 -16.495 1.00 19.57 O HETATM 2325 O HOH 198 -30.592 -17.097 -14.291 1.00 26.57 O HETATM 2326 O HOH 199 -36.890 -13.165 -42.381 1.00 30.50 O HETATM 2327 O HOH 200 -14.959 17.641 -10.083 1.00 27.60 O HETATM 2328 O HOH 201 -17.423 2.279 -38.307 1.00 18.17 O HETATM 2329 O HOH 202 -35.158 -11.264 -35.439 1.00 31.75 O HETATM 2330 O HOH 203 -25.212 -17.152 -23.735 1.00 35.44 O HETATM 2331 O HOH 204 -12.263 -3.669 -33.147 1.00 23.62 O HETATM 2332 O HOH 205 -30.263 15.584 -27.080 1.00 35.75 O HETATM 2333 O HOH 206 -15.833 4.872 -36.381 1.00 24.76 O HETATM 2334 O HOH 207 -28.252 -18.580 -15.896 1.00 24.60 O HETATM 2335 O HOH 208 -29.955 -1.407 -21.486 1.00 14.22 O HETATM 2336 O HOH 209 -11.299 -6.992 -23.081 1.00 28.69 O HETATM 2337 O HOH 210 -16.086 20.826 -11.908 1.00 27.58 O HETATM 2338 O HOH 211 -10.842 14.018 -23.139 1.00 25.42 O HETATM 2339 O HOH 212 -21.553 -8.897 -38.153 1.00 32.89 O HETATM 2340 O HOH 213 -31.278 11.329 -26.727 1.00 28.58 O HETATM 2341 O HOH 214 -20.426 15.074 -29.174 1.00 25.58 O HETATM 2342 O HOH 215 -28.379 -3.115 -45.411 1.00 32.03 O HETATM 2343 O HOH 216 -9.851 7.684 -16.862 1.00 31.71 O HETATM 2344 O HOH 217 -18.748 -14.276 -10.406 1.00 28.82 O HETATM 2345 O HOH 218 -25.151 -0.379 -43.312 1.00 23.86 O HETATM 2346 O HOH 219 -14.898 10.701 -29.386 1.00 27.31 O HETATM 2347 O HOH 220 -37.142 -12.437 -37.101 1.00 45.05 O HETATM 2348 O HOH 221 -31.658 15.426 -23.871 1.00 32.74 O HETATM 2349 O HOH 222 -9.218 6.521 -19.173 1.00 32.05 O HETATM 2350 O HOH 223 -21.380 0.149 -39.782 1.00 22.51 O HETATM 2351 O HOH 224 -22.196 18.106 -23.553 1.00 22.04 O HETATM 2352 O HOH 225 -33.621 -12.263 -30.668 1.00 33.27 O HETATM 2353 O HOH 226 -7.757 0.457 -20.225 1.00 27.30 O HETATM 2354 O HOH 227 -32.879 15.166 -11.461 1.00 29.31 O HETATM 2355 O HOH 228 -12.378 19.084 -19.355 1.00 31.14 O HETATM 2356 O HOH 229 -4.395 6.251 -25.005 1.00 38.08 O HETATM 2357 O HOH 230 -25.985 18.276 -17.586 1.00 30.18 O HETATM 2358 O HOH 231 -24.223 -18.613 -12.401 1.00 36.43 O HETATM 2359 O HOH 232 -11.732 -12.170 -22.192 1.00 37.49 O HETATM 2360 O HOH 233 -37.183 -7.902 -32.961 1.00 10.32 O HETATM 2361 O HOH 234 -21.490 -10.268 -35.853 1.00 38.54 O HETATM 2362 O HOH 235 -13.438 -10.493 -32.878 1.00 25.87 O HETATM 2363 O HOH 236 -23.889 -14.057 -29.908 1.00 32.18 O HETATM 2364 O HOH 237 -18.649 0.258 -39.758 1.00 18.77 O HETATM 2365 O HOH 238 -42.052 2.807 -21.522 1.00 36.10 O HETATM 2366 O HOH 239 -11.068 -12.447 -28.936 1.00 30.33 O HETATM 2367 O HOH 240 -36.537 -15.460 -40.540 1.00 43.39 O HETATM 2368 O HOH 241 -9.720 -2.510 -26.706 1.00 33.38 O HETATM 2369 O HOH 242 -11.998 -6.310 -35.358 1.00 37.23 O HETATM 2370 O HOH 243 -34.406 10.295 -23.549 1.00 32.32 O HETATM 2371 O HOH 244 -20.337 18.156 -27.504 1.00 35.06 O HETATM 2372 O HOH 245 -35.480 -10.834 -30.712 1.00 24.79 O HETATM 2373 O HOH 246 -38.436 -13.771 -38.610 1.00 50.26 O HETATM 2374 O HOH 247 -35.190 9.646 -21.280 1.00 30.17 O HETATM 2375 O HOH 248 -23.330 6.659 -38.766 1.00 32.54 O HETATM 2376 O HOH 249 -12.188 4.855 -32.553 1.00 30.09 O HETATM 2377 O HOH 250 -10.345 4.221 -30.787 1.00 36.99 O HETATM 2378 O HOH 251 -15.381 -2.133 -38.593 1.00 20.63 O HETATM 2379 O HOH 252 -21.986 -0.005 -42.338 1.00 31.72 O HETATM 2380 O HOH 253 -13.546 21.132 -20.789 1.00 33.12 O HETATM 2381 O HOH 254 -10.375 -8.256 -29.069 1.00 31.05 O HETATM 2382 O HOH 255 -9.257 -6.641 -32.274 1.00 36.03 O HETATM 2383 O HOH 256 -10.485 9.750 -30.989 1.00 34.45 O HETATM 2384 O HOH 257 -17.279 21.447 -20.511 1.00 24.09 O HETATM 2385 O HOH 258 -19.793 20.273 -23.188 1.00 30.43 O HETATM 2386 O HOH 259 -22.169 -13.832 -25.463 1.00 27.35 O HETATM 2387 O HOH 260 -17.844 0.490 -42.573 1.00 34.14 O HETATM 2388 S BS A 5 -31.727 4.347 -23.925 1.00 0.14 S HETATM 2389 N5' BS A 5 -30.521 4.483 -24.951 1.00 -0.23 N HETATM 2390 C5' BS A 5 -30.719 4.379 -26.371 1.00 0.06 C HETATM 2391 C4' BS A 5 -29.571 5.162 -26.966 1.00 0.11 C HETATM 2392 C3' BS A 5 -29.885 6.648 -27.019 1.00 0.11 C HETATM 2393 C2' BS A 5 -29.898 6.951 -28.510 1.00 0.14 C HETATM 2394 C1' BS A 5 -29.034 5.850 -29.084 1.00 0.20 C HETATM 2395 N9 BS A 5 -29.351 5.572 -30.498 1.00 -0.19 N HETATM 2396 C4 BS A 5 -28.430 5.348 -31.428 1.00 0.16 C HETATM 2397 N3 BS A 5 -27.080 5.314 -31.432 1.00 -0.27 N HETATM 2398 C2 BS A 5 -26.406 5.058 -32.567 1.00 0.05 C HETATM 2399 N1 BS A 5 -27.007 4.831 -33.752 1.00 -0.27 N HETATM 2400 C6 BS A 5 -28.353 4.841 -33.883 1.00 0.13 C HETATM 2401 C5 BS A 5 -29.161 5.113 -32.676 1.00 0.10 C HETATM 2402 N7 BS A 5 -30.469 5.218 -32.378 1.00 -0.30 N HETATM 2403 C8 BS A 5 -30.571 5.489 -31.052 1.00 0.11 C HETATM 2404 H4 BS A 5 -31.509 5.620 -30.514 1.00 0.13 H HETATM 2405 N6 BS A 5 -29.012 4.591 -35.192 1.00 -0.32 N HETATM 2406 H2 BS A 5 -30.040 4.605 -35.262 1.00 0.18 H HETATM 2407 H3 BS A 5 -28.441 4.404 -36.029 1.00 0.18 H HETATM 2408 H1 BS A 5 -25.323 5.033 -32.527 1.00 0.10 H HETATM 2409 O4' BS A 5 -29.343 4.710 -28.296 1.00 -0.34 O HETATM 2410 H5 BS A 5 -27.970 6.113 -28.994 1.00 0.10 H HETATM 2411 O2' BS A 5 -29.340 8.221 -28.845 1.00 -0.38 O HETATM 2412 H7 BS A 5 -28.464 8.286 -28.484 1.00 0.21 H HETATM 2413 H6 BS A 5 -30.924 6.896 -28.902 1.00 0.07 H HETATM 2414 O3' BS A 5 -28.880 7.368 -26.283 1.00 -0.39 O HETATM 2415 H9 BS A 5 -29.027 8.302 -26.378 1.00 0.21 H HETATM 2416 H8 BS A 5 -30.871 6.861 -26.581 1.00 0.06 H HETATM 2417 H10 BS A 5 -28.669 5.001 -26.357 1.00 0.06 H HETATM 2418 H11 BS A 5 -30.683 3.328 -26.694 1.00 0.05 H HETATM 2419 H12 BS A 5 -31.684 4.819 -26.663 1.00 0.05 H HETATM 2420 H13 BS A 5 -29.599 4.645 -24.599 1.00 0.17 H HETATM 2421 NBB BS A 5 -32.719 5.628 -24.103 1.00 -0.14 N HETATM 2422 CBB BS A 5 -32.509 6.926 -23.803 1.00 0.19 C HETATM 2423 CAB BS A 5 -32.727 7.926 -24.912 1.00 0.03 C HETATM 2424 H14 BS A 5 -32.523 8.940 -24.537 1.00 0.05 H HETATM 2425 H15 BS A 5 -33.769 7.867 -25.260 1.00 0.05 H HETATM 2426 H16 BS A 5 -32.048 7.701 -25.748 1.00 0.05 H HETATM 2427 OCB BS A 5 -32.139 7.310 -22.700 1.00 -0.40 O HETATM 2428 H17 BS A 5 -33.616 5.421 -24.492 1.00 0.22 H HETATM 2429 OP1 BS A 5 -31.099 4.212 -22.641 1.00 -0.13 O HETATM 2430 OP2 BS A 5 -32.451 3.131 -24.199 1.00 -0.13 O CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1082 1083 1086 1087 1088 CONECT 1086 1082 CONECT 1087 1082 CONECT 1088 1082 CONECT 2388 2389 2421 2429 2430 CONECT 2389 2388 2390 2420 CONECT 2390 2389 2391 2418 2419 CONECT 2391 2390 2392 2409 2417 CONECT 2392 2391 2393 2414 2416 CONECT 2393 2392 2394 2411 2413 CONECT 2394 2393 2395 2409 2410 CONECT 2395 2394 2396 2403 CONECT 2396 2395 2397 2401 CONECT 2397 2396 2398 CONECT 2398 2397 2399 2408 CONECT 2399 2398 2400 CONECT 2400 2399 2401 2405 CONECT 2401 2396 2400 2402 CONECT 2402 2401 2403 CONECT 2403 2395 2402 2404 CONECT 2404 2403 CONECT 2405 2400 2406 2407 CONECT 2406 2405 CONECT 2407 2405 CONECT 2408 2398 CONECT 2409 2391 2394 CONECT 2410 2394 CONECT 2411 2393 2412 CONECT 2412 2411 CONECT 2413 2393 CONECT 2414 2392 2415 CONECT 2415 2414 CONECT 2416 2392 CONECT 2417 2391 CONECT 2418 2390 CONECT 2419 2390 CONECT 2420 2389 CONECT 2421 2388 2422 2428 CONECT 2422 2421 2423 2427 CONECT 2423 2422 2424 2425 2426 CONECT 2424 2423 CONECT 2425 2423 CONECT 2426 2423 CONECT 2427 2422 CONECT 2428 2421 CONECT 2429 2388 CONECT 2430 2388 MASTER 0 0 0 0 0 0 0 0 2428 2 51 18 END
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Related entries of code: 5i2f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5i2e
RCSB PDB
PDBbind
129aa, >5I2E_1|Chains... *
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PDBbind
129aa, >5IPC_1|Chains... at 99%
5kly
RCSB PDB
PDBbind
129aa, >5KLY_1|Chains... at 99%
5klz
RCSB PDB
PDBbind
129aa, >5KLZ_1|Chains... at 100%
5km0
RCSB PDB
PDBbind
129aa, >5KM0_1|Chains... at 100%
5km1
RCSB PDB
PDBbind
129aa, >5KM1_1|Chains... at 100%
5km2
RCSB PDB
PDBbind
129aa, >5KM2_1|Chains... at 100%
5km3
RCSB PDB
PDBbind
129aa, >5KM3_1|Chains... at 100%
5kma
RCSB PDB
PDBbind
129aa, >5KMA_1|Chains... at 99%
5wa8
RCSB PDB
PDBbind
129aa, >5WA8_1|Chains... at 99%
5wa9
RCSB PDB
PDBbind
129aa, >5WA9_1|Chains... at 99%
6n3y
RCSB PDB
PDBbind
129aa, >6N3Y_1|Chains... at 100%
6n3x
RCSB PDB
PDBbind
129aa, >6N3X_1|Chains... at 100%
6n3w
RCSB PDB
PDBbind
129aa, >6N3W_1|Chains... at 100%
6n3v
RCSB PDB
PDBbind
129aa, >6N3V_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3rux
RCSB PDB
PDBbind
BS5
Entry Information
PDB ID
5i2f
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1)
Ligand Name
BS5
EC.Number
E.C.3
Resolution
1.25(Å)
Affinity (Kd/Ki/IC50)
Kd=0.32uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Acs Med.Chem.Lett. Vol. 7: pp. 780-784
Ligand Properties
Formula
C
1
2
H
1
7
N
7
O
6
S
Molecular Weight
387.372
Exact Mass
387.096
No. of atoms
43
No. of bonds
45
Polar Surface Area
202.96
LOGP Value
-2.61 (
Computed with XLOGP3
)
-0.56 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 3
Canonical SMILES
CC(=O)NS(=O)(=O)NC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C12H17N7O6S/c1-5(20)18-26(23,24)17-2-6-8(21)9(22)12(25-6)19-4-16-7-10(13)14-3-15-11(7)19/h3-4,6,8-9,12,17,21-22H,2H2,1H3,(H,18,20)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P49773
Entrez Gene ID
NCBI Entrez Gene ID:
3094
ASD
Information of known allosteric effects of PDB entries
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