Browse entries in the PDBbind-CN Database
HEADER 6N3Y_COMPLEX COMPND 6N3Y_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 ARG PRO GLY GLY ASP THR ILE PHE GLY LYS ILE ILE ARG SEQRES 2 A 115 LYS GLU ILE PRO ALA LYS ILE ILE PHE GLU ASP ASP ARG SEQRES 3 A 115 CYS LEU ALA PHE HIS ASP ILE SER PRO GLN ALA PRO THR SEQRES 4 A 115 HIS PHE LEU VAL ILE PRO LYS LYS HIS ILE SER GLN ILE SEQRES 5 A 115 SER VAL ALA GLU ASP ASP ASP GLU SER LEU LEU GLY HIS SEQRES 6 A 115 LEU MET ILE VAL GLY LYS LYS CYS ALA ALA ASP LEU GLY SEQRES 7 A 115 LEU ASN LYS GLY TYR ARG MET VAL VAL ASN GLU GLY SER SEQRES 8 A 115 ASP GLY GLY GLN SER VAL TYR HIS VAL HIS LEU HIS VAL SEQRES 9 A 115 LEU GLY GLY ARG GLN MET HIS TRP PRO PRO GLY SEQRES 1 B 110 THR ILE PHE GLY LYS ILE ILE ARG LYS GLU ILE PRO ALA SEQRES 2 B 110 LYS ILE ILE PHE GLU ASP ASP ARG CYS LEU ALA PHE HIS SEQRES 3 B 110 ASP ILE SER PRO GLN ALA PRO THR HIS PHE LEU VAL ILE SEQRES 4 B 110 PRO LYS LYS HIS ILE SER GLN ILE SER VAL ALA GLU ASP SEQRES 5 B 110 ASP ASP GLU SER LEU LEU GLY HIS LEU MET ILE VAL GLY SEQRES 6 B 110 LYS LYS CYS ALA ALA ASP LEU GLY LEU ASN LYS GLY TYR SEQRES 7 B 110 ARG MET VAL VAL ASN GLU GLY SER ASP GLY GLY GLN SER SEQRES 8 B 110 VAL TYR HIS VAL HIS LEU HIS VAL LEU GLY GLY ARG GLN SEQRES 9 B 110 MET HIS TRP PRO PRO GLY HET HHJ A 281 58 ATOM 1 N ARG A 12 -33.173 -13.800 -37.055 1.00 59.81 N ATOM 2 CA ARG A 12 -31.997 -12.956 -37.238 1.00 37.32 C ATOM 3 C ARG A 12 -31.275 -12.745 -35.909 1.00 23.66 C ATOM 4 O ARG A 12 -31.872 -12.262 -34.952 1.00 35.59 O ATOM 5 CB ARG A 12 -32.394 -11.612 -37.851 1.00 65.16 C ATOM 6 HN3 ARG A 12 -33.825 -13.344 -36.385 1.00 0.00 H ATOM 7 HN2 ARG A 12 -32.880 -14.725 -36.680 1.00 0.00 H ATOM 8 HN1 ARG A 12 -33.650 -13.931 -37.970 1.00 0.00 H ATOM 9 N PRO A 13 -29.991 -13.112 -35.861 1.00 30.36 N ATOM 10 CA PRO A 13 -29.253 -13.098 -34.585 1.00 33.27 C ATOM 11 C PRO A 13 -29.106 -11.686 -34.040 1.00 32.80 C ATOM 12 O PRO A 13 -28.629 -10.787 -34.731 1.00 26.74 O ATOM 13 CB PRO A 13 -27.892 -13.701 -34.956 1.00 34.51 C ATOM 14 CG PRO A 13 -27.757 -13.446 -36.445 1.00 22.76 C ATOM 15 CD PRO A 13 -29.150 -13.537 -36.993 1.00 28.10 C ATOM 16 N GLY A 14 -29.500 -11.497 -32.782 1.00 23.55 N ATOM 17 CA GLY A 14 -29.501 -10.184 -32.178 1.00 27.53 C ATOM 18 C GLY A 14 -30.845 -9.487 -32.188 1.00 13.35 C ATOM 19 O GLY A 14 -31.014 -8.504 -31.461 1.00 23.45 O ATOM 20 H GLY A 14 -29.815 -12.314 -32.221 1.00 0.00 H ATOM 21 N GLY A 15 -31.803 -9.980 -32.971 1.00 25.47 N ATOM 22 CA GLY A 15 -33.135 -9.412 -33.003 1.00 22.02 C ATOM 23 C GLY A 15 -33.238 -8.269 -33.981 1.00 16.91 C ATOM 24 O GLY A 15 -32.297 -7.928 -34.701 1.00 16.29 O ATOM 25 H GLY A 15 -31.588 -10.797 -33.577 1.00 0.00 H ATOM 26 N ASP A 16 -34.421 -7.657 -34.001 1.00 15.57 N ATOM 27 CA ASP A 16 -34.743 -6.637 -34.987 1.00 13.61 C ATOM 28 C ASP A 16 -34.889 -5.245 -34.395 1.00 18.40 C ATOM 29 O ASP A 16 -35.392 -4.356 -35.079 1.00 12.36 O ATOM 30 CB ASP A 16 -36.021 -7.006 -35.738 1.00 18.27 C ATOM 31 CG ASP A 16 -35.781 -8.058 -36.798 1.00 14.96 C ATOM 32 OD1 ASP A 16 -34.740 -7.983 -37.478 1.00 23.62 O ATOM 33 OD2 ASP A 16 -36.633 -8.956 -36.938 1.00 21.83 O ATOM 34 H ASP A 16 -35.135 -7.916 -33.291 1.00 0.00 H ATOM 35 N THR A 17 -34.480 -5.026 -33.146 1.00 19.69 N ATOM 36 CA THR A 17 -34.320 -3.648 -32.721 1.00 13.79 C ATOM 37 C THR A 17 -33.232 -2.981 -33.559 1.00 11.15 C ATOM 38 O THR A 17 -32.466 -3.638 -34.263 1.00 13.75 O ATOM 39 CB THR A 17 -33.924 -3.567 -31.256 1.00 9.99 C ATOM 40 OG1 THR A 17 -32.585 -4.063 -31.116 1.00 11.60 O ATOM 41 CG2 THR A 17 -34.890 -4.386 -30.377 1.00 13.69 C ATOM 42 HG1 THR A 17 -32.315 -4.016 -30.165 1.00 0.00 H ATOM 43 H THR A 17 -34.282 -5.815 -32.498 1.00 0.00 H ATOM 44 N ILE A 18 -33.172 -1.650 -33.461 1.00 10.45 N ATOM 45 CA ILE A 18 -32.130 -0.883 -34.138 1.00 10.71 C ATOM 46 C ILE A 18 -30.750 -1.420 -33.786 1.00 12.43 C ATOM 47 O ILE A 18 -29.828 -1.387 -34.610 1.00 10.76 O ATOM 48 CB ILE A 18 -32.279 0.615 -33.782 1.00 12.86 C ATOM 49 CG1 ILE A 18 -33.487 1.215 -34.505 1.00 11.46 C ATOM 50 CG2 ILE A 18 -31.014 1.403 -34.104 1.00 17.76 C ATOM 51 CD1 ILE A 18 -33.780 2.657 -34.127 1.00 17.10 C ATOM 52 H ILE A 18 -33.883 -1.149 -32.890 1.00 0.00 H ATOM 53 N PHE A 19 -30.589 -1.953 -32.574 1.00 14.33 N ATOM 54 CA PHE A 19 -29.287 -2.452 -32.155 1.00 7.25 C ATOM 55 C PHE A 19 -28.975 -3.793 -32.813 1.00 15.47 C ATOM 56 O PHE A 19 -27.828 -4.057 -33.188 1.00 14.02 O ATOM 57 CB PHE A 19 -29.246 -2.545 -30.619 1.00 5.00 C ATOM 58 CG PHE A 19 -29.175 -1.195 -29.927 1.00 11.17 C ATOM 59 CD1 PHE A 19 -29.016 -0.027 -30.656 1.00 10.67 C ATOM 60 CD2 PHE A 19 -29.270 -1.100 -28.553 1.00 7.54 C ATOM 61 CE1 PHE A 19 -28.958 1.218 -30.038 1.00 13.52 C ATOM 62 CE2 PHE A 19 -29.208 0.166 -27.906 1.00 11.35 C ATOM 63 CZ PHE A 19 -29.044 1.310 -28.657 1.00 17.49 C ATOM 64 H PHE A 19 -31.399 -2.013 -31.924 1.00 0.00 H ATOM 65 N GLY A 20 -29.976 -4.654 -32.982 1.00 13.17 N ATOM 66 CA GLY A 20 -29.725 -5.902 -33.680 1.00 10.31 C ATOM 67 C GLY A 20 -29.381 -5.666 -35.133 1.00 9.08 C ATOM 68 O GLY A 20 -28.540 -6.361 -35.702 1.00 17.14 O ATOM 69 H GLY A 20 -30.926 -4.435 -32.619 1.00 0.00 H ATOM 70 N LYS A 21 -30.014 -4.665 -35.741 1.00 8.44 N ATOM 71 CA LYS A 21 -29.714 -4.295 -37.118 1.00 12.93 C ATOM 72 C LYS A 21 -28.310 -3.709 -37.240 1.00 21.74 C ATOM 73 O LYS A 21 -27.606 -3.982 -38.220 1.00 15.52 O ATOM 74 CB LYS A 21 -30.760 -3.303 -37.624 1.00 15.67 C ATOM 75 CG LYS A 21 -32.198 -3.752 -37.418 1.00 20.22 C ATOM 76 CD LYS A 21 -32.756 -4.454 -38.637 1.00 27.82 C ATOM 77 CE LYS A 21 -32.584 -3.618 -39.898 1.00 18.96 C ATOM 78 NZ LYS A 21 -32.899 -4.467 -41.088 1.00 21.92 N ATOM 79 HZ1 LYS A 21 -32.251 -5.280 -41.113 1.00 0.00 H ATOM 80 HZ2 LYS A 21 -33.880 -4.806 -41.021 1.00 0.00 H ATOM 81 HZ3 LYS A 21 -32.784 -3.904 -41.955 1.00 0.00 H ATOM 82 H LYS A 21 -30.741 -4.134 -35.220 1.00 0.00 H ATOM 83 N ILE A 22 -27.884 -2.908 -36.253 1.00 16.56 N ATOM 84 CA ILE A 22 -26.517 -2.390 -36.250 1.00 10.85 C ATOM 85 C ILE A 22 -25.514 -3.533 -36.089 1.00 4.76 C ATOM 86 O ILE A 22 -24.479 -3.570 -36.769 1.00 10.81 O ATOM 87 CB ILE A 22 -26.367 -1.302 -35.164 1.00 11.13 C ATOM 88 CG1 ILE A 22 -27.002 0.011 -35.643 1.00 11.01 C ATOM 89 CG2 ILE A 22 -24.916 -1.071 -34.788 1.00 12.91 C ATOM 90 CD1 ILE A 22 -27.048 1.155 -34.574 1.00 10.36 C ATOM 91 H ILE A 22 -28.533 -2.652 -35.481 1.00 0.00 H ATOM 92 N ILE A 23 -25.811 -4.496 -35.212 1.00 10.12 N ATOM 93 CA ILE A 23 -24.931 -5.658 -35.075 1.00 6.93 C ATOM 94 C ILE A 23 -24.749 -6.363 -36.418 1.00 14.78 C ATOM 95 O ILE A 23 -23.631 -6.717 -36.807 1.00 9.34 O ATOM 96 CB ILE A 23 -25.474 -6.621 -34.002 1.00 10.81 C ATOM 97 CG1 ILE A 23 -25.414 -5.955 -32.621 1.00 11.47 C ATOM 98 CG2 ILE A 23 -24.673 -7.918 -34.011 1.00 11.90 C ATOM 99 CD1 ILE A 23 -26.301 -6.606 -31.556 1.00 8.19 C ATOM 100 H ILE A 23 -26.667 -4.420 -34.627 1.00 0.00 H ATOM 101 N ARG A 24 -25.832 -6.556 -37.152 1.00 7.98 N ATOM 102 CA ARG A 24 -25.750 -7.301 -38.401 1.00 14.42 C ATOM 103 C ARG A 24 -25.340 -6.426 -39.587 1.00 16.97 C ATOM 104 O ARG A 24 -25.411 -6.891 -40.727 1.00 14.51 O ATOM 105 CB ARG A 24 -27.081 -8.004 -38.675 1.00 17.32 C ATOM 106 CG ARG A 24 -27.332 -9.212 -37.749 1.00 12.80 C ATOM 107 CD ARG A 24 -28.520 -10.068 -38.181 1.00 14.28 C ATOM 108 NE ARG A 24 -29.710 -9.266 -38.446 1.00 9.61 N ATOM 109 CZ ARG A 24 -30.526 -8.771 -37.518 1.00 21.69 C ATOM 110 NH1 ARG A 24 -30.309 -9.005 -36.229 1.00 14.70 N ATOM 111 NH2 ARG A 24 -31.572 -8.042 -37.886 1.00 15.25 N ATOM 112 HE ARG A 24 -29.939 -9.065 -39.440 1.00 0.00 H ATOM 113 HH12 ARG A 24 -30.954 -8.613 -35.514 1.00 0.00 H ATOM 114 HH11 ARG A 24 -29.494 -9.581 -35.935 1.00 0.00 H ATOM 115 HH22 ARG A 24 -32.213 -7.652 -37.166 1.00 0.00 H ATOM 116 HH21 ARG A 24 -31.750 -7.860 -38.894 1.00 0.00 H ATOM 117 H ARG A 24 -26.746 -6.174 -36.836 1.00 0.00 H ATOM 118 N LYS A 25 -24.900 -5.189 -39.334 1.00 13.60 N ATOM 119 CA LYS A 25 -24.403 -4.264 -40.354 1.00 22.48 C ATOM 120 C LYS A 25 -25.488 -3.867 -41.343 1.00 15.78 C ATOM 121 O LYS A 25 -25.176 -3.434 -42.449 1.00 14.19 O ATOM 122 CB LYS A 25 -23.195 -4.841 -41.113 1.00 18.36 C ATOM 123 CG LYS A 25 -22.123 -5.488 -40.224 1.00 18.02 C ATOM 124 CD LYS A 25 -21.382 -4.474 -39.395 1.00 26.94 C ATOM 125 CE LYS A 25 -20.303 -5.142 -38.564 1.00 20.46 C ATOM 126 NZ LYS A 25 -19.763 -4.178 -37.607 1.00 12.40 N ATOM 127 HZ1 LYS A 25 -19.357 -3.371 -38.122 1.00 0.00 H ATOM 128 HZ2 LYS A 25 -20.526 -3.845 -36.984 1.00 0.00 H ATOM 129 HZ3 LYS A 25 -19.023 -4.635 -37.037 1.00 0.00 H ATOM 130 H LYS A 25 -24.912 -4.862 -38.347 1.00 0.00 H ATOM 131 N GLU A 26 -26.757 -4.019 -40.951 1.00 19.26 N ATOM 132 CA GLU A 26 -27.880 -3.642 -41.803 1.00 15.70 C ATOM 133 C GLU A 26 -28.194 -2.158 -41.705 1.00 12.69 C ATOM 134 O GLU A 26 -28.730 -1.580 -42.658 1.00 19.62 O ATOM 135 CB GLU A 26 -29.103 -4.503 -41.461 1.00 5.85 C ATOM 136 CG GLU A 26 -28.744 -5.965 -41.512 1.00 11.58 C ATOM 137 CD GLU A 26 -29.833 -6.888 -41.008 1.00 24.61 C ATOM 138 OE1 GLU A 26 -30.671 -6.447 -40.202 1.00 16.04 O ATOM 139 OE2 GLU A 26 -29.834 -8.072 -41.415 1.00 27.55 O ATOM 140 H GLU A 26 -26.950 -4.418 -40.010 1.00 0.00 H ATOM 141 N ILE A 27 -27.893 -1.521 -40.582 1.00 13.98 N ATOM 142 CA ILE A 27 -27.977 -0.065 -40.528 1.00 14.28 C ATOM 143 C ILE A 27 -26.649 0.477 -40.016 1.00 14.70 C ATOM 144 O ILE A 27 -26.093 -0.037 -39.034 1.00 15.11 O ATOM 145 CB ILE A 27 -29.166 0.416 -39.682 1.00 16.62 C ATOM 146 CG1 ILE A 27 -29.177 -0.256 -38.315 1.00 15.98 C ATOM 147 CG2 ILE A 27 -30.479 0.156 -40.409 1.00 17.51 C ATOM 148 CD1 ILE A 27 -30.228 0.303 -37.392 1.00 15.50 C ATOM 149 H ILE A 27 -27.598 -2.058 -39.741 1.00 0.00 H ATOM 150 N PRO A 28 -26.106 1.499 -40.665 1.00 10.81 N ATOM 151 CA PRO A 28 -24.756 1.963 -40.345 1.00 12.70 C ATOM 152 C PRO A 28 -24.645 2.562 -38.955 1.00 17.39 C ATOM 153 O PRO A 28 -25.615 3.041 -38.364 1.00 17.28 O ATOM 154 CB PRO A 28 -24.463 3.017 -41.422 1.00 18.45 C ATOM 155 CG PRO A 28 -25.787 3.348 -42.047 1.00 25.88 C ATOM 156 CD PRO A 28 -26.675 2.168 -41.853 1.00 24.66 C ATOM 157 N ALA A 29 -23.425 2.499 -38.436 1.00 15.90 N ATOM 158 CA ALA A 29 -23.061 3.083 -37.160 1.00 14.20 C ATOM 159 C ALA A 29 -21.569 3.346 -37.211 1.00 16.66 C ATOM 160 O ALA A 29 -20.856 2.816 -38.068 1.00 13.32 O ATOM 161 CB ALA A 29 -23.413 2.164 -35.974 1.00 14.96 C ATOM 162 H ALA A 29 -22.688 2.002 -38.976 1.00 0.00 H ATOM 163 N LYS A 30 -21.105 4.170 -36.283 1.00 10.47 N ATOM 164 CA LYS A 30 -19.699 4.556 -36.191 1.00 10.96 C ATOM 165 C LYS A 30 -19.066 3.697 -35.103 1.00 11.92 C ATOM 166 O LYS A 30 -19.204 3.978 -33.909 1.00 12.81 O ATOM 167 CB LYS A 30 -19.571 6.050 -35.899 1.00 14.95 C ATOM 168 CG LYS A 30 -20.241 6.924 -36.942 1.00 15.85 C ATOM 169 CD LYS A 30 -19.616 6.708 -38.318 1.00 21.43 C ATOM 170 CE LYS A 30 -20.119 7.728 -39.331 1.00 25.21 C ATOM 171 NZ LYS A 30 -19.273 7.738 -40.554 1.00 19.58 N ATOM 172 HZ1 LYS A 30 -18.295 7.982 -40.296 1.00 0.00 H ATOM 173 HZ2 LYS A 30 -19.292 6.796 -40.995 1.00 0.00 H ATOM 174 HZ3 LYS A 30 -19.642 8.443 -41.224 1.00 0.00 H ATOM 175 H LYS A 30 -21.773 4.560 -35.588 1.00 0.00 H ATOM 176 N ILE A 31 -18.350 2.659 -35.526 1.00 10.50 N ATOM 177 CA ILE A 31 -17.995 1.545 -34.657 1.00 11.63 C ATOM 178 C ILE A 31 -16.631 1.791 -34.039 1.00 8.18 C ATOM 179 O ILE A 31 -15.662 2.098 -34.739 1.00 14.09 O ATOM 180 CB ILE A 31 -18.027 0.224 -35.441 1.00 10.94 C ATOM 181 CG1 ILE A 31 -19.479 -0.140 -35.730 1.00 10.50 C ATOM 182 CG2 ILE A 31 -17.337 -0.898 -34.656 1.00 15.04 C ATOM 183 CD1 ILE A 31 -19.638 -1.176 -36.767 1.00 17.84 C ATOM 184 H ILE A 31 -18.031 2.642 -36.516 1.00 0.00 H ATOM 185 N ILE A 32 -16.565 1.682 -32.716 1.00 11.29 N ATOM 186 CA ILE A 32 -15.334 1.925 -31.979 1.00 12.78 C ATOM 187 C ILE A 32 -14.536 0.645 -31.803 1.00 7.18 C ATOM 188 O ILE A 32 -13.312 0.642 -31.949 1.00 9.78 O ATOM 189 CB ILE A 32 -15.672 2.540 -30.607 1.00 5.06 C ATOM 190 CG1 ILE A 32 -16.443 3.842 -30.797 1.00 13.64 C ATOM 191 CG2 ILE A 32 -14.409 2.739 -29.776 1.00 14.41 C ATOM 192 CD1 ILE A 32 -17.151 4.268 -29.539 1.00 13.19 C ATOM 193 H ILE A 32 -17.421 1.414 -32.190 1.00 0.00 H ATOM 194 N PHE A 33 -15.225 -0.431 -31.446 1.00 12.32 N ATOM 195 CA PHE A 33 -14.590 -1.695 -31.110 1.00 11.90 C ATOM 196 C PHE A 33 -15.617 -2.796 -31.277 1.00 10.90 C ATOM 197 O PHE A 33 -16.804 -2.589 -31.012 1.00 9.64 O ATOM 198 CB PHE A 33 -14.059 -1.706 -29.677 1.00 14.02 C ATOM 199 CG PHE A 33 -13.677 -3.075 -29.197 1.00 17.66 C ATOM 200 CD1 PHE A 33 -14.563 -3.831 -28.453 1.00 13.69 C ATOM 201 CD2 PHE A 33 -12.437 -3.613 -29.512 1.00 22.35 C ATOM 202 CE1 PHE A 33 -14.210 -5.103 -28.010 1.00 19.88 C ATOM 203 CE2 PHE A 33 -12.082 -4.877 -29.074 1.00 23.85 C ATOM 204 CZ PHE A 33 -12.967 -5.617 -28.320 1.00 25.01 C ATOM 205 H PHE A 33 -16.262 -0.368 -31.405 1.00 0.00 H ATOM 206 N GLU A 34 -15.150 -3.970 -31.709 1.00 15.27 N ATOM 207 CA GLU A 34 -16.030 -5.106 -31.955 1.00 16.23 C ATOM 208 C GLU A 34 -15.302 -6.395 -31.599 1.00 10.70 C ATOM 209 O GLU A 34 -14.136 -6.568 -31.959 1.00 17.27 O ATOM 210 CB GLU A 34 -16.474 -5.170 -33.423 1.00 9.05 C ATOM 211 CG GLU A 34 -17.415 -6.340 -33.737 1.00 7.78 C ATOM 212 CD GLU A 34 -18.115 -6.182 -35.085 1.00 12.15 C ATOM 213 OE1 GLU A 34 -17.842 -5.168 -35.745 1.00 11.64 O ATOM 214 OE2 GLU A 34 -18.921 -7.073 -35.471 1.00 13.13 O ATOM 215 H GLU A 34 -14.129 -4.077 -31.875 1.00 0.00 H ATOM 216 N ASP A 35 -15.978 -7.286 -30.882 1.00 19.12 N ATOM 217 CA ASP A 35 -15.446 -8.633 -30.670 1.00 15.59 C ATOM 218 C ASP A 35 -16.613 -9.612 -30.719 1.00 12.79 C ATOM 219 O ASP A 35 -17.736 -9.266 -31.102 1.00 14.35 O ATOM 220 CB ASP A 35 -14.593 -8.715 -29.388 1.00 12.91 C ATOM 221 CG ASP A 35 -15.409 -8.661 -28.088 1.00 20.39 C ATOM 222 OD1 ASP A 35 -16.649 -8.785 -28.111 1.00 15.43 O ATOM 223 OD2 ASP A 35 -14.778 -8.515 -27.012 1.00 19.03 O ATOM 224 H ASP A 35 -16.895 -7.024 -30.467 1.00 0.00 H ATOM 225 N ASP A 36 -16.338 -10.870 -30.388 1.00 15.40 N ATOM 226 CA ASP A 36 -17.363 -11.890 -30.518 1.00 13.43 C ATOM 227 C ASP A 36 -18.527 -11.706 -29.551 1.00 11.70 C ATOM 228 O ASP A 36 -19.602 -12.267 -29.789 1.00 15.73 O ATOM 229 CB ASP A 36 -16.740 -13.269 -30.316 1.00 18.10 C ATOM 230 CG ASP A 36 -16.179 -13.455 -28.927 1.00 21.08 C ATOM 231 OD1 ASP A 36 -15.215 -12.738 -28.561 1.00 15.78 O ATOM 232 OD2 ASP A 36 -16.721 -14.310 -28.195 1.00 22.28 O ATOM 233 H ASP A 36 -15.392 -11.122 -30.037 1.00 0.00 H ATOM 234 N ARG A 37 -18.347 -10.922 -28.480 1.00 13.06 N ATOM 235 CA ARG A 37 -19.367 -10.777 -27.450 1.00 11.55 C ATOM 236 C ARG A 37 -20.084 -9.435 -27.462 1.00 13.71 C ATOM 237 O ARG A 37 -21.187 -9.342 -26.914 1.00 10.48 O ATOM 238 CB ARG A 37 -18.752 -10.981 -26.055 1.00 14.65 C ATOM 239 CG ARG A 37 -18.437 -12.422 -25.707 1.00 13.40 C ATOM 240 CD ARG A 37 -17.098 -12.529 -24.990 1.00 17.68 C ATOM 241 NE ARG A 37 -15.983 -12.400 -25.925 1.00 23.06 N ATOM 242 CZ ARG A 37 -14.727 -12.165 -25.567 1.00 18.18 C ATOM 243 NH1 ARG A 37 -14.412 -12.029 -24.283 1.00 15.52 N ATOM 244 NH2 ARG A 37 -13.784 -12.068 -26.493 1.00 15.84 N ATOM 245 HE ARG A 37 -16.187 -12.499 -26.940 1.00 0.00 H ATOM 246 HH12 ARG A 37 -13.427 -11.845 -24.006 1.00 0.00 H ATOM 247 HH11 ARG A 37 -15.151 -12.107 -23.555 1.00 0.00 H ATOM 248 HH22 ARG A 37 -12.799 -11.884 -26.215 1.00 0.00 H ATOM 249 HH21 ARG A 37 -14.029 -12.176 -27.498 1.00 0.00 H ATOM 250 H ARG A 37 -17.452 -10.401 -28.381 1.00 0.00 H ATOM 251 N CYS A 38 -19.502 -8.400 -28.058 1.00 13.43 N ATOM 252 CA CYS A 38 -20.079 -7.075 -27.906 1.00 11.64 C ATOM 253 C CYS A 38 -19.630 -6.140 -29.015 1.00 20.67 C ATOM 254 O CYS A 38 -18.757 -6.452 -29.826 1.00 9.64 O ATOM 255 CB CYS A 38 -19.723 -6.478 -26.541 1.00 8.09 C ATOM 256 SG CYS A 38 -17.992 -6.023 -26.344 1.00 15.09 S ATOM 257 H CYS A 38 -18.642 -8.537 -28.627 1.00 0.00 H ATOM 258 N LEU A 39 -20.225 -4.956 -28.994 1.00 7.86 N ATOM 259 CA LEU A 39 -20.028 -3.946 -30.016 1.00 6.95 C ATOM 260 C LEU A 39 -20.051 -2.600 -29.317 1.00 9.78 C ATOM 261 O LEU A 39 -20.962 -2.351 -28.533 1.00 7.85 O ATOM 262 CB LEU A 39 -21.150 -4.021 -31.060 1.00 8.58 C ATOM 263 CG LEU A 39 -21.004 -3.200 -32.337 1.00 18.74 C ATOM 264 CD1 LEU A 39 -19.882 -3.764 -33.185 1.00 17.05 C ATOM 265 CD2 LEU A 39 -22.308 -3.202 -33.114 1.00 14.14 C ATOM 266 H LEU A 39 -20.866 -4.740 -28.204 1.00 0.00 H ATOM 267 N ALA A 40 -19.075 -1.738 -29.598 1.00 12.70 N ATOM 268 CA ALA A 40 -19.072 -0.382 -29.064 1.00 10.04 C ATOM 269 C ALA A 40 -19.161 0.605 -30.218 1.00 3.73 C ATOM 270 O ALA A 40 -18.394 0.507 -31.180 1.00 10.17 O ATOM 271 CB ALA A 40 -17.822 -0.112 -28.226 1.00 10.80 C ATOM 272 H ALA A 40 -18.294 -2.041 -30.215 1.00 0.00 H ATOM 273 N PHE A 41 -20.107 1.544 -30.124 1.00 10.67 N ATOM 274 CA PHE A 41 -20.310 2.521 -31.188 1.00 5.01 C ATOM 275 C PHE A 41 -20.864 3.819 -30.609 1.00 6.09 C ATOM 276 O PHE A 41 -21.487 3.837 -29.549 1.00 10.00 O ATOM 277 CB PHE A 41 -21.250 1.982 -32.290 1.00 8.94 C ATOM 278 CG PHE A 41 -22.618 1.564 -31.797 1.00 11.20 C ATOM 279 CD1 PHE A 41 -23.700 2.426 -31.887 1.00 10.51 C ATOM 280 CD2 PHE A 41 -22.820 0.298 -31.252 1.00 21.74 C ATOM 281 CE1 PHE A 41 -24.965 2.038 -31.439 1.00 9.63 C ATOM 282 CE2 PHE A 41 -24.077 -0.092 -30.797 1.00 14.23 C ATOM 283 CZ PHE A 41 -25.150 0.775 -30.892 1.00 14.60 C ATOM 284 H PHE A 41 -20.709 1.579 -29.277 1.00 0.00 H ATOM 285 N HIS A 42 -20.683 4.902 -31.359 1.00 9.57 N ATOM 286 CA HIS A 42 -21.059 6.223 -30.866 1.00 8.41 C ATOM 287 C HIS A 42 -22.572 6.415 -30.881 1.00 13.22 C ATOM 288 O HIS A 42 -23.280 5.930 -31.762 1.00 11.59 O ATOM 289 CB HIS A 42 -20.373 7.306 -31.712 1.00 7.90 C ATOM 290 CG HIS A 42 -18.892 7.361 -31.505 1.00 12.40 C ATOM 291 ND1 HIS A 42 -18.312 8.080 -30.481 1.00 15.71 N ATOM 292 CD2 HIS A 42 -17.878 6.736 -32.147 1.00 18.16 C ATOM 293 CE1 HIS A 42 -17.002 7.919 -30.520 1.00 18.63 C ATOM 294 NE2 HIS A 42 -16.712 7.110 -31.523 1.00 12.61 N ATOM 295 H HIS A 42 -20.269 4.806 -32.308 1.00 0.00 H ATOM 296 N ASP A 43 -23.064 7.163 -29.901 1.00 12.65 N ATOM 297 CA ASP A 43 -24.484 7.467 -29.812 1.00 10.50 C ATOM 298 C ASP A 43 -24.861 8.574 -30.796 1.00 12.82 C ATOM 299 O ASP A 43 -24.155 9.577 -30.922 1.00 16.54 O ATOM 300 CB ASP A 43 -24.828 7.880 -28.383 1.00 12.22 C ATOM 301 CG ASP A 43 -26.310 7.824 -28.103 1.00 21.97 C ATOM 302 OD1 ASP A 43 -27.055 8.626 -28.701 1.00 14.74 O ATOM 303 OD2 ASP A 43 -26.727 6.991 -27.271 1.00 13.92 O ATOM 304 H ASP A 43 -22.418 7.541 -29.179 1.00 0.00 H ATOM 305 N ILE A 44 -26.002 8.386 -31.467 1.00 14.26 N ATOM 306 CA ILE A 44 -26.450 9.312 -32.501 1.00 11.01 C ATOM 307 C ILE A 44 -26.967 10.614 -31.915 1.00 20.93 C ATOM 308 O ILE A 44 -27.094 11.611 -32.639 1.00 17.09 O ATOM 309 CB ILE A 44 -27.526 8.634 -33.373 1.00 16.07 C ATOM 310 CG1 ILE A 44 -27.648 9.333 -34.722 1.00 17.80 C ATOM 311 CG2 ILE A 44 -28.878 8.604 -32.651 1.00 18.19 C ATOM 312 CD1 ILE A 44 -28.234 8.451 -35.802 1.00 17.25 C ATOM 313 H ILE A 44 -26.587 7.555 -31.245 1.00 0.00 H ATOM 314 N SER A 45 -27.264 10.629 -30.618 1.00 13.29 N ATOM 315 CA SER A 45 -27.792 11.800 -29.919 1.00 14.45 C ATOM 316 C SER A 45 -26.946 12.016 -28.668 1.00 17.13 C ATOM 317 O SER A 45 -27.418 11.835 -27.535 1.00 16.83 O ATOM 318 CB SER A 45 -29.269 11.603 -29.575 1.00 16.88 C ATOM 319 OG SER A 45 -29.859 12.795 -29.098 1.00 21.82 O ATOM 320 HG SER A 45 -29.386 13.092 -28.281 1.00 0.00 H ATOM 321 H SER A 45 -27.112 9.758 -30.070 1.00 0.00 H ATOM 322 N PRO A 46 -25.680 12.395 -28.840 1.00 15.34 N ATOM 323 CA PRO A 46 -24.776 12.473 -27.687 1.00 16.29 C ATOM 324 C PRO A 46 -25.251 13.499 -26.676 1.00 21.01 C ATOM 325 O PRO A 46 -25.789 14.547 -27.032 1.00 16.23 O ATOM 326 CB PRO A 46 -23.438 12.887 -28.311 1.00 19.25 C ATOM 327 CG PRO A 46 -23.829 13.622 -29.569 1.00 28.13 C ATOM 328 CD PRO A 46 -25.053 12.900 -30.076 1.00 21.07 C ATOM 329 N GLN A 47 -25.056 13.159 -25.402 1.00 13.81 N ATOM 330 CA GLN A 47 -25.357 14.005 -24.260 1.00 17.15 C ATOM 331 C GLN A 47 -24.087 14.523 -23.599 1.00 8.93 C ATOM 332 O GLN A 47 -24.161 15.275 -22.611 1.00 17.73 O ATOM 333 CB GLN A 47 -26.203 13.212 -23.256 1.00 10.82 C ATOM 334 CG GLN A 47 -27.476 12.645 -23.872 1.00 25.35 C ATOM 335 CD GLN A 47 -28.422 13.721 -24.365 1.00 30.34 C ATOM 336 OE1 GLN A 47 -28.909 14.532 -23.577 1.00 19.67 O ATOM 337 NE2 GLN A 47 -28.684 13.741 -25.677 1.00 14.98 N ATOM 338 HE22 GLN A 47 -28.249 13.035 -26.305 1.00 0.00 H ATOM 339 HE21 GLN A 47 -29.322 14.462 -26.069 1.00 0.00 H ATOM 340 H GLN A 47 -24.658 12.217 -25.211 1.00 0.00 H ATOM 341 N ALA A 48 -22.933 14.145 -24.127 1.00 9.15 N ATOM 342 CA ALA A 48 -21.634 14.606 -23.675 1.00 12.94 C ATOM 343 C ALA A 48 -20.753 14.736 -24.905 1.00 17.20 C ATOM 344 O ALA A 48 -21.077 14.183 -25.960 1.00 16.32 O ATOM 345 CB ALA A 48 -21.002 13.641 -22.665 1.00 14.05 C ATOM 346 H ALA A 48 -22.960 13.472 -24.919 1.00 0.00 H ATOM 347 N PRO A 49 -19.664 15.501 -24.814 1.00 11.57 N ATOM 348 CA PRO A 49 -18.727 15.565 -25.945 1.00 7.99 C ATOM 349 C PRO A 49 -18.311 14.193 -26.453 1.00 11.26 C ATOM 350 O PRO A 49 -18.176 14.016 -27.659 1.00 10.13 O ATOM 351 CB PRO A 49 -17.552 16.357 -25.368 1.00 15.25 C ATOM 352 CG PRO A 49 -18.220 17.333 -24.438 1.00 10.43 C ATOM 353 CD PRO A 49 -19.366 16.539 -23.806 1.00 18.30 C ATOM 354 N THR A 50 -18.146 13.202 -25.585 1.00 14.57 N ATOM 355 CA THR A 50 -18.018 11.819 -26.025 1.00 12.18 C ATOM 356 C THR A 50 -19.129 10.998 -25.380 1.00 12.84 C ATOM 357 O THR A 50 -19.349 11.082 -24.164 1.00 12.57 O ATOM 358 CB THR A 50 -16.639 11.236 -25.693 1.00 15.36 C ATOM 359 OG1 THR A 50 -15.634 11.941 -26.429 1.00 13.61 O ATOM 360 CG2 THR A 50 -16.588 9.774 -26.087 1.00 12.44 C ATOM 361 HG1 THR A 50 -15.656 12.899 -26.181 1.00 0.00 H ATOM 362 H THR A 50 -18.107 13.418 -24.568 1.00 0.00 H ATOM 363 N HIS A 51 -19.846 10.237 -26.200 1.00 13.61 N ATOM 364 CA HIS A 51 -20.985 9.458 -25.724 1.00 13.75 C ATOM 365 C HIS A 51 -21.142 8.267 -26.655 1.00 16.06 C ATOM 366 O HIS A 51 -21.524 8.422 -27.822 1.00 11.30 O ATOM 367 CB HIS A 51 -22.245 10.318 -25.679 1.00 12.67 C ATOM 368 CG HIS A 51 -23.467 9.603 -25.194 1.00 12.07 C ATOM 369 ND1 HIS A 51 -24.669 10.247 -25.003 1.00 11.06 N ATOM 370 CD2 HIS A 51 -23.684 8.304 -24.880 1.00 7.42 C ATOM 371 CE1 HIS A 51 -25.576 9.379 -24.597 1.00 15.54 C ATOM 372 NE2 HIS A 51 -25.005 8.191 -24.513 1.00 11.59 N ATOM 373 H HIS A 51 -19.589 10.195 -27.207 1.00 0.00 H ATOM 374 N PHE A 52 -20.838 7.076 -26.151 1.00 7.62 N ATOM 375 CA PHE A 52 -20.931 5.877 -26.974 1.00 5.64 C ATOM 376 C PHE A 52 -21.693 4.805 -26.205 1.00 7.02 C ATOM 377 O PHE A 52 -22.014 4.961 -25.028 1.00 12.44 O ATOM 378 CB PHE A 52 -19.546 5.377 -27.429 1.00 6.24 C ATOM 379 CG PHE A 52 -18.585 4.978 -26.297 1.00 7.12 C ATOM 380 CD1 PHE A 52 -18.538 3.668 -25.834 1.00 8.95 C ATOM 381 CD2 PHE A 52 -17.681 5.883 -25.777 1.00 11.54 C ATOM 382 CE1 PHE A 52 -17.632 3.286 -24.857 1.00 9.78 C ATOM 383 CE2 PHE A 52 -16.784 5.509 -24.785 1.00 14.79 C ATOM 384 CZ PHE A 52 -16.759 4.208 -24.328 1.00 14.66 C ATOM 385 H PHE A 52 -20.531 6.999 -25.160 1.00 0.00 H ATOM 386 N LEU A 53 -22.004 3.722 -26.904 1.00 7.28 N ATOM 387 CA LEU A 53 -22.756 2.608 -26.346 1.00 7.64 C ATOM 388 C LEU A 53 -21.924 1.342 -26.470 1.00 8.99 C ATOM 389 O LEU A 53 -21.196 1.169 -27.442 1.00 8.29 O ATOM 390 CB LEU A 53 -24.079 2.435 -27.108 1.00 9.97 C ATOM 391 CG LEU A 53 -24.989 3.651 -27.172 1.00 10.85 C ATOM 392 CD1 LEU A 53 -25.862 3.630 -28.417 1.00 31.16 C ATOM 393 CD2 LEU A 53 -25.836 3.729 -25.894 1.00 18.01 C ATOM 394 H LEU A 53 -21.697 3.666 -27.896 1.00 0.00 H ATOM 395 N VAL A 54 -22.037 0.454 -25.487 1.00 13.01 N ATOM 396 CA VAL A 54 -21.459 -0.883 -25.566 1.00 17.53 C ATOM 397 C VAL A 54 -22.610 -1.865 -25.396 1.00 12.66 C ATOM 398 O VAL A 54 -23.354 -1.783 -24.412 1.00 10.24 O ATOM 399 CB VAL A 54 -20.364 -1.124 -24.510 1.00 8.11 C ATOM 400 CG1 VAL A 54 -19.627 -2.432 -24.816 1.00 11.29 C ATOM 401 CG2 VAL A 54 -19.356 0.036 -24.470 1.00 11.65 C ATOM 402 H VAL A 54 -22.558 0.723 -24.628 1.00 0.00 H ATOM 403 N ILE A 55 -22.793 -2.752 -26.373 1.00 12.41 N ATOM 404 CA ILE A 55 -23.964 -3.624 -26.359 1.00 14.89 C ATOM 405 C ILE A 55 -23.510 -5.068 -26.552 1.00 10.58 C ATOM 406 O ILE A 55 -22.513 -5.318 -27.237 1.00 12.32 O ATOM 407 CB ILE A 55 -24.991 -3.211 -27.432 1.00 12.11 C ATOM 408 CG1 ILE A 55 -24.459 -3.495 -28.849 1.00 8.74 C ATOM 409 CG2 ILE A 55 -25.377 -1.732 -27.249 1.00 10.67 C ATOM 410 CD1 ILE A 55 -25.528 -3.448 -29.985 1.00 10.22 C ATOM 411 H ILE A 55 -22.101 -2.823 -27.146 1.00 0.00 H ATOM 412 N PRO A 56 -24.192 -6.042 -25.969 1.00 7.40 N ATOM 413 CA PRO A 56 -23.887 -7.433 -26.319 1.00 12.11 C ATOM 414 C PRO A 56 -24.396 -7.759 -27.714 1.00 11.20 C ATOM 415 O PRO A 56 -25.361 -7.170 -28.196 1.00 11.97 O ATOM 416 CB PRO A 56 -24.641 -8.233 -25.254 1.00 10.21 C ATOM 417 CG PRO A 56 -25.778 -7.405 -24.914 1.00 14.95 C ATOM 418 CD PRO A 56 -25.313 -5.956 -25.021 1.00 14.42 C ATOM 419 N LYS A 57 -23.750 -8.736 -28.362 1.00 11.89 N ATOM 420 CA LYS A 57 -24.317 -9.254 -29.603 1.00 15.84 C ATOM 421 C LYS A 57 -25.458 -10.221 -29.328 1.00 15.87 C ATOM 422 O LYS A 57 -26.354 -10.367 -30.166 1.00 9.91 O ATOM 423 CB LYS A 57 -23.235 -9.933 -30.449 1.00 10.34 C ATOM 424 CG LYS A 57 -22.085 -8.996 -30.805 1.00 13.98 C ATOM 425 CD LYS A 57 -21.164 -9.602 -31.869 1.00 8.39 C ATOM 426 CE LYS A 57 -20.406 -8.511 -32.559 1.00 10.32 C ATOM 427 NZ LYS A 57 -19.470 -9.068 -33.560 1.00 12.48 N ATOM 428 HZ1 LYS A 57 -18.792 -9.698 -33.086 1.00 0.00 H ATOM 429 HZ2 LYS A 57 -20.005 -9.605 -34.272 1.00 0.00 H ATOM 430 HZ3 LYS A 57 -18.957 -8.291 -34.024 1.00 0.00 H ATOM 431 H LYS A 57 -22.859 -9.120 -27.987 1.00 0.00 H ATOM 432 N LYS A 58 -25.440 -10.889 -28.176 1.00 16.42 N ATOM 433 CA LYS A 58 -26.595 -11.663 -27.736 1.00 12.04 C ATOM 434 C LYS A 58 -27.738 -10.716 -27.385 1.00 14.30 C ATOM 435 O LYS A 58 -27.536 -9.721 -26.676 1.00 13.36 O ATOM 436 CB LYS A 58 -26.215 -12.522 -26.535 1.00 15.22 C ATOM 437 CG LYS A 58 -27.375 -13.233 -25.880 1.00 18.42 C ATOM 438 CD LYS A 58 -26.895 -14.154 -24.778 1.00 29.12 C ATOM 439 CE LYS A 58 -28.061 -14.628 -23.926 1.00 37.15 C ATOM 440 NZ LYS A 58 -27.613 -15.366 -22.720 1.00 23.59 N ATOM 441 HZ1 LYS A 58 -27.065 -16.201 -23.010 1.00 0.00 H ATOM 442 HZ2 LYS A 58 -27.018 -14.744 -22.136 1.00 0.00 H ATOM 443 HZ3 LYS A 58 -28.443 -15.668 -22.172 1.00 0.00 H ATOM 444 H LYS A 58 -24.588 -10.858 -27.580 1.00 0.00 H ATOM 445 N HIS A 59 -28.938 -10.986 -27.899 1.00 11.51 N ATOM 446 CA HIS A 59 -30.065 -10.113 -27.564 1.00 13.62 C ATOM 447 C HIS A 59 -30.550 -10.417 -26.154 1.00 13.84 C ATOM 448 O HIS A 59 -30.975 -11.540 -25.866 1.00 14.23 O ATOM 449 CB HIS A 59 -31.227 -10.261 -28.544 1.00 9.63 C ATOM 450 CG HIS A 59 -32.428 -9.436 -28.183 1.00 15.80 C ATOM 451 ND1 HIS A 59 -32.426 -8.058 -28.238 1.00 18.90 N ATOM 452 CD2 HIS A 59 -33.666 -9.790 -27.760 1.00 14.88 C ATOM 453 CE1 HIS A 59 -33.611 -7.600 -27.873 1.00 15.47 C ATOM 454 NE2 HIS A 59 -34.385 -8.631 -27.588 1.00 16.05 N ATOM 455 H HIS A 59 -29.072 -11.804 -28.528 1.00 0.00 H ATOM 456 N ILE A 60 -30.471 -9.411 -25.281 1.00 13.80 N ATOM 457 CA ILE A 60 -31.129 -9.391 -23.979 1.00 13.50 C ATOM 458 C ILE A 60 -31.975 -8.129 -23.966 1.00 9.97 C ATOM 459 O ILE A 60 -31.453 -7.036 -24.204 1.00 16.42 O ATOM 460 CB ILE A 60 -30.115 -9.395 -22.816 1.00 18.77 C ATOM 461 CG1 ILE A 60 -29.132 -10.565 -22.954 1.00 9.82 C ATOM 462 CG2 ILE A 60 -30.822 -9.485 -21.477 1.00 19.56 C ATOM 463 CD1 ILE A 60 -28.099 -10.651 -21.865 1.00 17.23 C ATOM 464 H ILE A 60 -29.900 -8.583 -25.547 1.00 0.00 H ATOM 465 N SER A 61 -33.280 -8.274 -23.720 1.00 12.82 N ATOM 466 CA SER A 61 -34.181 -7.131 -23.878 1.00 10.39 C ATOM 467 C SER A 61 -33.897 -6.030 -22.859 1.00 16.94 C ATOM 468 O SER A 61 -34.004 -4.841 -23.186 1.00 12.32 O ATOM 469 CB SER A 61 -35.635 -7.580 -23.767 1.00 20.86 C ATOM 470 OG SER A 61 -35.914 -8.065 -22.460 1.00 19.09 O ATOM 471 HG SER A 61 -36.861 -8.350 -22.410 1.00 0.00 H ATOM 472 H SER A 61 -33.655 -9.196 -23.417 1.00 0.00 H ATOM 473 N GLN A 62 -33.569 -6.400 -21.620 1.00 13.42 N ATOM 474 CA GLN A 62 -33.332 -5.429 -20.550 1.00 9.95 C ATOM 475 C GLN A 62 -32.596 -6.124 -19.409 1.00 21.85 C ATOM 476 O GLN A 62 -32.593 -7.350 -19.309 1.00 17.12 O ATOM 477 CB GLN A 62 -34.643 -4.802 -20.059 1.00 13.75 C ATOM 478 CG GLN A 62 -35.700 -5.783 -19.620 1.00 20.93 C ATOM 479 CD GLN A 62 -37.102 -5.234 -19.808 1.00 38.36 C ATOM 480 OE1 GLN A 62 -37.821 -5.636 -20.725 1.00 26.35 O ATOM 481 NE2 GLN A 62 -37.498 -4.311 -18.940 1.00 24.35 N ATOM 482 HE22 GLN A 62 -36.857 -4.002 -18.181 1.00 0.00 H ATOM 483 HE21 GLN A 62 -38.449 -3.897 -19.019 1.00 0.00 H ATOM 484 H GLN A 62 -33.478 -7.414 -21.407 1.00 0.00 H ATOM 485 N ILE A 63 -31.975 -5.332 -18.532 1.00 13.57 N ATOM 486 CA ILE A 63 -31.180 -5.977 -17.494 1.00 15.17 C ATOM 487 C ILE A 63 -32.062 -6.706 -16.491 1.00 14.36 C ATOM 488 O ILE A 63 -31.592 -7.621 -15.804 1.00 16.71 O ATOM 489 CB ILE A 63 -30.266 -4.970 -16.775 1.00 16.09 C ATOM 490 CG1 ILE A 63 -29.235 -5.717 -15.932 1.00 10.84 C ATOM 491 CG2 ILE A 63 -31.082 -4.012 -15.931 1.00 14.76 C ATOM 492 CD1 ILE A 63 -28.094 -4.869 -15.475 1.00 26.54 C ATOM 493 H ILE A 63 -32.055 -4.297 -18.587 1.00 0.00 H ATOM 494 N SER A 64 -33.344 -6.353 -16.406 1.00 13.49 N ATOM 495 CA SER A 64 -34.206 -7.021 -15.441 1.00 14.38 C ATOM 496 C SER A 64 -34.491 -8.472 -15.804 1.00 16.39 C ATOM 497 O SER A 64 -35.005 -9.209 -14.960 1.00 21.93 O ATOM 498 CB SER A 64 -35.517 -6.255 -15.295 1.00 19.74 C ATOM 499 OG SER A 64 -36.359 -6.491 -16.398 1.00 13.80 O ATOM 500 HG SER A 64 -37.202 -5.985 -16.282 1.00 0.00 H ATOM 501 H SER A 64 -33.725 -5.608 -17.023 1.00 0.00 H ATOM 502 N VAL A 65 -34.180 -8.898 -17.027 1.00 19.62 N ATOM 503 CA VAL A 65 -34.357 -10.284 -17.451 1.00 19.50 C ATOM 504 C VAL A 65 -33.028 -10.954 -17.771 1.00 16.35 C ATOM 505 O VAL A 65 -33.007 -12.029 -18.379 1.00 15.18 O ATOM 506 CB VAL A 65 -35.325 -10.391 -18.643 1.00 17.86 C ATOM 507 CG1 VAL A 65 -36.695 -9.868 -18.253 1.00 22.18 C ATOM 508 CG2 VAL A 65 -34.787 -9.640 -19.830 1.00 15.03 C ATOM 509 H VAL A 65 -33.795 -8.214 -17.709 1.00 0.00 H ATOM 510 N ALA A 66 -31.915 -10.346 -17.378 1.00 12.01 N ATOM 511 CA ALA A 66 -30.621 -10.980 -17.560 1.00 11.90 C ATOM 512 C ALA A 66 -30.538 -12.219 -16.686 1.00 18.22 C ATOM 513 O ALA A 66 -31.040 -12.241 -15.555 1.00 18.65 O ATOM 514 CB ALA A 66 -29.484 -10.022 -17.215 1.00 17.13 C ATOM 515 H ALA A 66 -31.970 -9.406 -16.935 1.00 0.00 H ATOM 516 N GLU A 67 -29.895 -13.250 -17.211 1.00 14.64 N ATOM 517 CA GLU A 67 -29.771 -14.512 -16.501 1.00 20.07 C ATOM 518 C GLU A 67 -28.501 -14.525 -15.660 1.00 28.39 C ATOM 519 O GLU A 67 -27.576 -13.737 -15.874 1.00 19.58 O ATOM 520 CB GLU A 67 -29.767 -15.681 -17.484 1.00 21.82 C ATOM 521 CG GLU A 67 -31.132 -15.985 -18.079 1.00 37.65 C ATOM 522 CD GLU A 67 -31.076 -17.063 -19.138 1.00 34.57 C ATOM 523 OE1 GLU A 67 -30.179 -16.997 -20.004 1.00 41.94 O ATOM 524 OE2 GLU A 67 -31.928 -17.976 -19.105 1.00 51.95 O ATOM 525 H GLU A 67 -29.468 -13.155 -18.155 1.00 0.00 H ATOM 526 N ASP A 68 -28.465 -15.442 -14.687 1.00 18.52 N ATOM 527 CA ASP A 68 -27.275 -15.568 -13.853 1.00 18.00 C ATOM 528 C ASP A 68 -26.039 -15.856 -14.695 1.00 13.89 C ATOM 529 O ASP A 68 -24.938 -15.417 -14.352 1.00 18.89 O ATOM 530 CB ASP A 68 -27.481 -16.663 -12.801 1.00 19.06 C ATOM 531 CG ASP A 68 -28.365 -16.210 -11.645 1.00 39.61 C ATOM 532 OD1 ASP A 68 -28.914 -15.091 -11.702 1.00 26.77 O ATOM 533 OD2 ASP A 68 -28.509 -16.977 -10.670 1.00 58.77 O ATOM 534 H ASP A 68 -29.283 -16.063 -14.526 1.00 0.00 H ATOM 535 N ASP A 69 -26.208 -16.534 -15.828 1.00 19.64 N ATOM 536 CA ASP A 69 -25.084 -16.917 -16.669 1.00 17.25 C ATOM 537 C ASP A 69 -24.640 -15.802 -17.605 1.00 18.05 C ATOM 538 O ASP A 69 -23.675 -15.989 -18.353 1.00 18.94 O ATOM 539 CB ASP A 69 -25.454 -18.168 -17.462 1.00 44.07 C ATOM 540 CG ASP A 69 -26.086 -19.231 -16.586 1.00 72.05 C ATOM 541 OD1 ASP A 69 -27.335 -19.262 -16.488 1.00 65.10 O ATOM 542 OD2 ASP A 69 -25.330 -20.016 -15.973 1.00 52.31 O ATOM 543 H ASP A 69 -27.171 -16.797 -16.120 1.00 0.00 H ATOM 544 N ASP A 70 -25.321 -14.660 -17.581 1.00 21.72 N ATOM 545 CA ASP A 70 -24.909 -13.478 -18.323 1.00 21.09 C ATOM 546 C ASP A 70 -23.936 -12.613 -17.534 1.00 18.17 C ATOM 547 O ASP A 70 -23.600 -11.518 -17.986 1.00 15.87 O ATOM 548 CB ASP A 70 -26.129 -12.633 -18.712 1.00 19.96 C ATOM 549 CG ASP A 70 -26.988 -13.283 -19.774 1.00 18.99 C ATOM 550 OD1 ASP A 70 -26.436 -13.855 -20.739 1.00 27.96 O ATOM 551 OD2 ASP A 70 -28.231 -13.195 -19.665 1.00 21.09 O ATOM 552 H ASP A 70 -26.186 -14.609 -17.006 1.00 0.00 H ATOM 553 N GLU A 71 -23.503 -13.072 -16.357 1.00 17.28 N ATOM 554 CA GLU A 71 -22.644 -12.263 -15.501 1.00 16.85 C ATOM 555 C GLU A 71 -21.383 -11.824 -16.223 1.00 16.78 C ATOM 556 O GLU A 71 -21.027 -10.636 -16.211 1.00 16.13 O ATOM 557 CB GLU A 71 -22.276 -13.050 -14.244 1.00 16.32 C ATOM 558 CG GLU A 71 -23.268 -12.895 -13.125 1.00 24.29 C ATOM 559 CD GLU A 71 -22.687 -13.274 -11.786 1.00 41.89 C ATOM 560 OE1 GLU A 71 -21.553 -13.809 -11.754 1.00 22.99 O ATOM 561 OE2 GLU A 71 -23.369 -13.027 -10.770 1.00 33.37 O ATOM 562 H GLU A 71 -23.784 -14.024 -16.045 1.00 0.00 H ATOM 563 N SER A 72 -20.678 -12.771 -16.847 1.00 12.41 N ATOM 564 CA SER A 72 -19.428 -12.430 -17.516 1.00 14.40 C ATOM 565 C SER A 72 -19.662 -11.513 -18.709 1.00 13.99 C ATOM 566 O SER A 72 -18.828 -10.647 -19.001 1.00 12.84 O ATOM 567 CB SER A 72 -18.715 -13.701 -17.964 1.00 16.59 C ATOM 568 OG SER A 72 -19.491 -14.379 -18.932 1.00 20.15 O ATOM 569 HG SER A 72 -19.018 -15.202 -19.215 1.00 0.00 H ATOM 570 H SER A 72 -21.021 -13.753 -16.856 1.00 0.00 H ATOM 571 N LEU A 73 -20.784 -11.692 -19.406 1.00 14.32 N ATOM 572 CA LEU A 73 -21.076 -10.862 -20.572 1.00 18.14 C ATOM 573 C LEU A 73 -21.344 -9.422 -20.166 1.00 16.69 C ATOM 574 O LEU A 73 -20.882 -8.484 -20.828 1.00 17.67 O ATOM 575 CB LEU A 73 -22.277 -11.440 -21.317 1.00 15.12 C ATOM 576 CG LEU A 73 -22.899 -10.596 -22.427 1.00 17.25 C ATOM 577 CD1 LEU A 73 -21.828 -10.151 -23.415 1.00 14.14 C ATOM 578 CD2 LEU A 73 -24.003 -11.393 -23.135 1.00 22.70 C ATOM 579 H LEU A 73 -21.458 -12.430 -19.117 1.00 0.00 H ATOM 580 N LEU A 74 -22.097 -9.230 -19.084 1.00 11.47 N ATOM 581 CA LEU A 74 -22.317 -7.890 -18.571 1.00 9.94 C ATOM 582 C LEU A 74 -21.019 -7.288 -18.051 1.00 11.58 C ATOM 583 O LEU A 74 -20.724 -6.124 -18.320 1.00 10.60 O ATOM 584 CB LEU A 74 -23.399 -7.911 -17.489 1.00 16.58 C ATOM 585 CG LEU A 74 -24.781 -8.445 -17.888 1.00 18.99 C ATOM 586 CD1 LEU A 74 -25.716 -8.382 -16.706 1.00 17.46 C ATOM 587 CD2 LEU A 74 -25.386 -7.703 -19.085 1.00 12.80 C ATOM 588 H LEU A 74 -22.530 -10.045 -18.604 1.00 0.00 H ATOM 589 N GLY A 75 -20.224 -8.057 -17.314 1.00 10.32 N ATOM 590 CA GLY A 75 -18.918 -7.557 -16.912 1.00 12.07 C ATOM 591 C GLY A 75 -18.045 -7.188 -18.099 1.00 15.93 C ATOM 592 O GLY A 75 -17.335 -6.179 -18.076 1.00 13.51 O ATOM 593 H GLY A 75 -20.533 -9.008 -17.027 1.00 0.00 H ATOM 594 N HIS A 76 -18.095 -7.999 -19.160 1.00 18.52 N ATOM 595 CA HIS A 76 -17.346 -7.670 -20.365 1.00 11.45 C ATOM 596 C HIS A 76 -17.782 -6.328 -20.944 1.00 12.09 C ATOM 597 O HIS A 76 -16.960 -5.606 -21.528 1.00 16.19 O ATOM 598 CB HIS A 76 -17.513 -8.795 -21.387 1.00 11.91 C ATOM 599 CG HIS A 76 -16.600 -8.676 -22.568 1.00 14.19 C ATOM 600 ND1 HIS A 76 -15.229 -8.741 -22.453 1.00 15.06 N ATOM 601 CD2 HIS A 76 -16.860 -8.499 -23.885 1.00 16.11 C ATOM 602 CE1 HIS A 76 -14.680 -8.609 -23.649 1.00 14.08 C ATOM 603 NE2 HIS A 76 -15.649 -8.467 -24.536 1.00 15.02 N ATOM 604 H HIS A 76 -18.669 -8.866 -19.125 1.00 0.00 H ATOM 605 N LEU A 77 -19.062 -5.970 -20.790 1.00 10.65 N ATOM 606 CA LEU A 77 -19.521 -4.684 -21.319 1.00 18.84 C ATOM 607 C LEU A 77 -18.796 -3.536 -20.645 1.00 13.47 C ATOM 608 O LEU A 77 -18.433 -2.549 -21.294 1.00 10.92 O ATOM 609 CB LEU A 77 -21.029 -4.512 -21.123 1.00 14.39 C ATOM 610 CG LEU A 77 -21.992 -5.499 -21.776 1.00 15.41 C ATOM 611 CD1 LEU A 77 -23.413 -5.053 -21.482 1.00 16.39 C ATOM 612 CD2 LEU A 77 -21.739 -5.603 -23.291 1.00 17.18 C ATOM 613 H LEU A 77 -19.726 -6.601 -20.298 1.00 0.00 H ATOM 614 N MET A 78 -18.575 -3.640 -19.335 1.00 10.79 N ATOM 615 CA MET A 78 -17.945 -2.540 -18.616 1.00 10.18 C ATOM 616 C MET A 78 -16.451 -2.472 -18.897 1.00 13.34 C ATOM 617 O MET A 78 -15.885 -1.377 -19.014 1.00 13.86 O ATOM 618 CB MET A 78 -18.203 -2.685 -17.120 1.00 14.72 C ATOM 619 CG MET A 78 -19.329 -1.817 -16.615 1.00 19.35 C ATOM 620 SD MET A 78 -19.605 -2.101 -14.866 1.00 17.65 S ATOM 621 CE MET A 78 -19.927 -3.859 -14.866 1.00 24.70 C ATOM 622 H MET A 78 -18.851 -4.504 -18.827 1.00 0.00 H ATOM 623 N ILE A 79 -15.801 -3.630 -19.011 1.00 8.72 N ATOM 624 CA ILE A 79 -14.373 -3.658 -19.291 1.00 8.99 C ATOM 625 C ILE A 79 -14.107 -3.087 -20.670 1.00 10.79 C ATOM 626 O ILE A 79 -13.185 -2.293 -20.861 1.00 11.06 O ATOM 627 CB ILE A 79 -13.837 -5.096 -19.165 1.00 17.99 C ATOM 628 CG1 ILE A 79 -13.774 -5.514 -17.699 1.00 20.55 C ATOM 629 CG2 ILE A 79 -12.485 -5.235 -19.853 1.00 17.19 C ATOM 630 CD1 ILE A 79 -13.070 -4.547 -16.805 1.00 19.91 C ATOM 631 H ILE A 79 -16.320 -4.524 -18.899 1.00 0.00 H ATOM 632 N VAL A 80 -14.930 -3.466 -21.648 1.00 11.67 N ATOM 633 CA VAL A 80 -14.821 -2.860 -22.970 1.00 11.44 C ATOM 634 C VAL A 80 -15.115 -1.363 -22.889 1.00 15.13 C ATOM 635 O VAL A 80 -14.415 -0.542 -23.494 1.00 14.27 O ATOM 636 CB VAL A 80 -15.753 -3.588 -23.952 1.00 12.72 C ATOM 637 CG1 VAL A 80 -15.930 -2.772 -25.233 1.00 6.79 C ATOM 638 CG2 VAL A 80 -15.198 -4.960 -24.264 1.00 16.79 C ATOM 639 H VAL A 80 -15.650 -4.194 -21.468 1.00 0.00 H ATOM 640 N GLY A 81 -16.122 -0.984 -22.099 1.00 14.35 N ATOM 641 CA GLY A 81 -16.438 0.424 -21.946 1.00 24.30 C ATOM 642 C GLY A 81 -15.263 1.226 -21.424 1.00 16.50 C ATOM 643 O GLY A 81 -14.930 2.287 -21.958 1.00 13.76 O ATOM 644 H GLY A 81 -16.681 -1.699 -21.592 1.00 0.00 H ATOM 645 N LYS A 82 -14.595 0.717 -20.390 1.00 4.43 N ATOM 646 CA LYS A 82 -13.484 1.482 -19.826 1.00 10.94 C ATOM 647 C LYS A 82 -12.248 1.424 -20.720 1.00 13.40 C ATOM 648 O LYS A 82 -11.441 2.357 -20.709 1.00 15.33 O ATOM 649 CB LYS A 82 -13.170 1.001 -18.406 1.00 10.02 C ATOM 650 CG LYS A 82 -12.571 -0.421 -18.314 1.00 11.79 C ATOM 651 CD LYS A 82 -11.086 -0.307 -18.043 1.00 19.62 C ATOM 652 CE LYS A 82 -10.418 -1.643 -17.883 1.00 23.70 C ATOM 653 NZ LYS A 82 -8.945 -1.474 -17.966 1.00 25.61 N ATOM 654 HZ1 LYS A 82 -8.695 -1.070 -18.891 1.00 0.00 H ATOM 655 HZ2 LYS A 82 -8.627 -0.835 -17.210 1.00 0.00 H ATOM 656 HZ3 LYS A 82 -8.484 -2.400 -17.855 1.00 0.00 H ATOM 657 H LYS A 82 -14.859 -0.207 -19.992 1.00 0.00 H ATOM 658 N LYS A 83 -12.092 0.369 -21.525 1.00 15.91 N ATOM 659 CA LYS A 83 -10.976 0.343 -22.467 1.00 13.12 C ATOM 660 C LYS A 83 -11.195 1.325 -23.603 1.00 12.33 C ATOM 661 O LYS A 83 -10.260 2.029 -24.005 1.00 16.12 O ATOM 662 CB LYS A 83 -10.759 -1.066 -23.018 1.00 10.60 C ATOM 663 CG LYS A 83 -10.243 -2.012 -21.944 1.00 23.09 C ATOM 664 CD LYS A 83 -9.744 -3.334 -22.499 1.00 21.82 C ATOM 665 CE LYS A 83 -9.266 -4.236 -21.369 1.00 42.06 C ATOM 666 NZ LYS A 83 -9.017 -5.629 -21.847 1.00 29.55 N ATOM 667 HZ1 LYS A 83 -9.898 -6.024 -22.234 1.00 0.00 H ATOM 668 HZ2 LYS A 83 -8.287 -5.615 -22.588 1.00 0.00 H ATOM 669 HZ3 LYS A 83 -8.693 -6.215 -21.051 1.00 0.00 H ATOM 670 H LYS A 83 -12.760 -0.427 -21.481 1.00 0.00 H ATOM 671 N CYS A 84 -12.417 1.366 -24.152 1.00 10.66 N ATOM 672 CA CYS A 84 -12.709 2.321 -25.217 1.00 9.68 C ATOM 673 C CYS A 84 -12.588 3.746 -24.714 1.00 13.85 C ATOM 674 O CYS A 84 -12.174 4.644 -25.452 1.00 9.73 O ATOM 675 CB CYS A 84 -14.111 2.109 -25.752 1.00 9.70 C ATOM 676 SG CYS A 84 -14.283 0.580 -26.581 1.00 13.51 S ATOM 677 H CYS A 84 -13.158 0.717 -23.819 1.00 0.00 H ATOM 678 N ALA A 85 -13.002 3.984 -23.468 1.00 9.58 N ATOM 679 CA ALA A 85 -12.913 5.332 -22.935 1.00 10.27 C ATOM 680 C ALA A 85 -11.466 5.788 -22.894 1.00 16.40 C ATOM 681 O ALA A 85 -11.151 6.928 -23.254 1.00 14.72 O ATOM 682 CB ALA A 85 -13.543 5.379 -21.541 1.00 11.94 C ATOM 683 H ALA A 85 -13.384 3.212 -22.885 1.00 0.00 H ATOM 684 N ALA A 86 -10.566 4.894 -22.485 1.00 15.89 N ATOM 685 CA ALA A 86 -9.147 5.226 -22.466 1.00 20.25 C ATOM 686 C ALA A 86 -8.631 5.449 -23.875 1.00 18.91 C ATOM 687 O ALA A 86 -7.866 6.387 -24.118 1.00 16.82 O ATOM 688 CB ALA A 86 -8.352 4.119 -21.769 1.00 21.07 C ATOM 689 H ALA A 86 -10.879 3.951 -22.177 1.00 0.00 H ATOM 690 N ASP A 87 -9.055 4.598 -24.816 1.00 13.70 N ATOM 691 CA ASP A 87 -8.634 4.710 -26.208 1.00 16.38 C ATOM 692 C ASP A 87 -9.130 6.006 -26.838 1.00 17.48 C ATOM 693 O ASP A 87 -8.489 6.545 -27.751 1.00 17.06 O ATOM 694 CB ASP A 87 -9.149 3.497 -26.990 1.00 18.71 C ATOM 695 CG ASP A 87 -8.556 3.394 -28.381 1.00 15.67 C ATOM 696 OD1 ASP A 87 -7.322 3.519 -28.514 1.00 28.68 O ATOM 697 OD2 ASP A 87 -9.325 3.169 -29.338 1.00 30.21 O ATOM 698 H ASP A 87 -9.705 3.832 -24.547 1.00 0.00 H ATOM 699 N LEU A 88 -10.266 6.510 -26.367 1.00 13.61 N ATOM 700 CA LEU A 88 -10.826 7.780 -26.795 1.00 14.03 C ATOM 701 C LEU A 88 -10.278 8.957 -26.007 1.00 16.43 C ATOM 702 O LEU A 88 -10.719 10.086 -26.222 1.00 17.95 O ATOM 703 CB LEU A 88 -12.355 7.734 -26.685 1.00 12.01 C ATOM 704 CG LEU A 88 -12.926 6.793 -27.747 1.00 14.88 C ATOM 705 CD1 LEU A 88 -14.412 6.551 -27.505 1.00 23.87 C ATOM 706 CD2 LEU A 88 -12.686 7.387 -29.125 1.00 23.87 C ATOM 707 H LEU A 88 -10.784 5.963 -25.650 1.00 0.00 H ATOM 708 N GLY A 89 -9.336 8.726 -25.102 1.00 15.98 N ATOM 709 CA GLY A 89 -8.676 9.841 -24.459 1.00 21.40 C ATOM 710 C GLY A 89 -9.501 10.526 -23.400 1.00 17.54 C ATOM 711 O GLY A 89 -9.279 11.708 -23.127 1.00 18.84 O ATOM 712 H GLY A 89 -9.074 7.750 -24.857 1.00 0.00 H ATOM 713 N LEU A 90 -10.459 9.816 -22.798 1.00 15.49 N ATOM 714 CA LEU A 90 -11.233 10.358 -21.675 1.00 17.40 C ATOM 715 C LEU A 90 -10.470 10.161 -20.361 1.00 14.28 C ATOM 716 O LEU A 90 -10.898 9.456 -19.447 1.00 16.51 O ATOM 717 CB LEU A 90 -12.614 9.717 -21.615 1.00 13.84 C ATOM 718 CG LEU A 90 -13.424 9.831 -22.912 1.00 16.15 C ATOM 719 CD1 LEU A 90 -14.766 9.135 -22.812 1.00 15.68 C ATOM 720 CD2 LEU A 90 -13.625 11.289 -23.256 1.00 12.72 C ATOM 721 H LEU A 90 -10.662 8.853 -23.134 1.00 0.00 H ATOM 722 N ASN A 91 -9.317 10.827 -20.275 1.00 23.49 N ATOM 723 CA ASN A 91 -8.430 10.648 -19.128 1.00 22.18 C ATOM 724 C ASN A 91 -8.937 11.330 -17.859 1.00 21.14 C ATOM 725 O ASN A 91 -8.508 10.947 -16.762 1.00 24.74 O ATOM 726 CB ASN A 91 -7.012 11.146 -19.466 1.00 23.36 C ATOM 727 CG ASN A 91 -6.953 12.643 -19.781 1.00 56.16 C ATOM 728 OD1 ASN A 91 -7.409 13.482 -19.003 1.00 39.88 O ATOM 729 ND2 ASN A 91 -6.359 12.978 -20.924 1.00 47.58 N ATOM 730 HD22 ASN A 91 -5.987 12.238 -21.553 1.00 0.00 H ATOM 731 HD21 ASN A 91 -6.267 13.980 -21.188 1.00 0.00 H ATOM 732 H ASN A 91 -9.046 11.483 -21.035 1.00 0.00 H ATOM 733 N LYS A 92 -9.821 12.325 -17.972 1.00 14.85 N ATOM 734 CA LYS A 92 -10.367 12.995 -16.793 1.00 16.71 C ATOM 735 C LYS A 92 -11.555 12.258 -16.191 1.00 13.46 C ATOM 736 O LYS A 92 -12.063 12.682 -15.147 1.00 17.20 O ATOM 737 CB LYS A 92 -10.789 14.432 -17.132 1.00 16.29 C ATOM 738 CG LYS A 92 -9.650 15.357 -17.541 1.00 26.84 C ATOM 739 CD LYS A 92 -10.094 16.817 -17.565 1.00 25.35 C ATOM 740 CE LYS A 92 -10.472 17.312 -16.173 1.00 29.49 C ATOM 741 NZ LYS A 92 -10.505 18.810 -16.087 1.00 27.43 N ATOM 742 HZ1 LYS A 92 -9.565 19.190 -16.319 1.00 0.00 H ATOM 743 HZ2 LYS A 92 -11.206 19.179 -16.761 1.00 0.00 H ATOM 744 HZ3 LYS A 92 -10.767 19.095 -15.122 1.00 0.00 H ATOM 745 H LYS A 92 -10.127 12.629 -18.918 1.00 0.00 H ATOM 746 N GLY A 93 -12.017 11.189 -16.821 1.00 14.31 N ATOM 747 CA GLY A 93 -13.100 10.386 -16.305 1.00 17.85 C ATOM 748 C GLY A 93 -14.291 10.373 -17.240 1.00 16.96 C ATOM 749 O GLY A 93 -14.321 11.041 -18.274 1.00 12.93 O ATOM 750 H GLY A 93 -11.582 10.916 -17.725 1.00 0.00 H ATOM 751 N TYR A 94 -15.295 9.608 -16.823 1.00 12.57 N ATOM 752 CA TYR A 94 -16.492 9.326 -17.602 1.00 9.59 C ATOM 753 C TYR A 94 -17.510 8.674 -16.673 1.00 8.89 C ATOM 754 O TYR A 94 -17.200 8.317 -15.532 1.00 10.48 O ATOM 755 CB TYR A 94 -16.170 8.414 -18.787 1.00 5.51 C ATOM 756 CG TYR A 94 -15.336 7.234 -18.396 1.00 4.90 C ATOM 757 CD1 TYR A 94 -15.928 6.059 -17.918 1.00 14.16 C ATOM 758 CD2 TYR A 94 -13.949 7.293 -18.451 1.00 17.27 C ATOM 759 CE1 TYR A 94 -15.154 4.971 -17.549 1.00 10.18 C ATOM 760 CE2 TYR A 94 -13.166 6.212 -18.074 1.00 12.14 C ATOM 761 CZ TYR A 94 -13.771 5.055 -17.621 1.00 16.30 C ATOM 762 OH TYR A 94 -12.982 3.983 -17.260 1.00 11.68 O ATOM 763 HH TYR A 94 -12.444 3.693 -18.039 1.00 0.00 H ATOM 764 H TYR A 94 -15.220 9.183 -15.877 1.00 0.00 H ATOM 765 N ARG A 95 -18.729 8.522 -17.177 1.00 9.40 N ATOM 766 CA ARG A 95 -19.823 7.922 -16.425 1.00 7.13 C ATOM 767 C ARG A 95 -20.449 6.818 -17.248 1.00 7.49 C ATOM 768 O ARG A 95 -20.704 7.002 -18.442 1.00 11.71 O ATOM 769 CB ARG A 95 -20.884 8.967 -16.057 1.00 13.84 C ATOM 770 CG ARG A 95 -22.203 8.399 -15.542 1.00 6.44 C ATOM 771 CD ARG A 95 -23.069 9.514 -14.955 1.00 7.99 C ATOM 772 NE ARG A 95 -22.391 10.179 -13.836 1.00 14.89 N ATOM 773 CZ ARG A 95 -22.735 11.371 -13.358 1.00 15.28 C ATOM 774 NH1 ARG A 95 -23.767 12.027 -13.880 1.00 13.85 N ATOM 775 NH2 ARG A 95 -22.056 11.911 -12.351 1.00 9.30 N ATOM 776 HE ARG A 95 -21.591 9.687 -13.389 1.00 0.00 H ATOM 777 HH12 ARG A 95 -24.034 12.959 -13.504 1.00 0.00 H ATOM 778 HH11 ARG A 95 -24.307 11.608 -14.664 1.00 0.00 H ATOM 779 HH22 ARG A 95 -22.329 12.844 -11.981 1.00 0.00 H ATOM 780 HH21 ARG A 95 -21.252 11.401 -11.933 1.00 0.00 H ATOM 781 H ARG A 95 -18.910 8.845 -18.149 1.00 0.00 H ATOM 782 N MET A 96 -20.697 5.671 -16.607 1.00 7.08 N ATOM 783 CA MET A 96 -21.332 4.526 -17.247 1.00 10.68 C ATOM 784 C MET A 96 -22.753 4.414 -16.717 1.00 14.79 C ATOM 785 O MET A 96 -22.971 4.551 -15.510 1.00 11.00 O ATOM 786 CB MET A 96 -20.552 3.247 -16.956 1.00 6.14 C ATOM 787 CG MET A 96 -19.107 3.312 -17.372 1.00 16.31 C ATOM 788 SD MET A 96 -18.323 1.694 -17.129 1.00 19.32 S ATOM 789 CE MET A 96 -17.223 1.662 -18.533 1.00 14.67 C ATOM 790 H MET A 96 -20.424 5.592 -15.606 1.00 0.00 H ATOM 791 N VAL A 97 -23.712 4.199 -17.620 1.00 10.24 N ATOM 792 CA VAL A 97 -25.137 4.207 -17.291 1.00 9.55 C ATOM 793 C VAL A 97 -25.825 3.038 -17.992 1.00 8.61 C ATOM 794 O VAL A 97 -25.694 2.878 -19.210 1.00 9.63 O ATOM 795 CB VAL A 97 -25.819 5.531 -17.705 1.00 10.44 C ATOM 796 CG1 VAL A 97 -27.233 5.560 -17.211 1.00 8.53 C ATOM 797 CG2 VAL A 97 -25.080 6.730 -17.169 1.00 12.27 C ATOM 798 H VAL A 97 -23.432 4.017 -18.605 1.00 0.00 H ATOM 799 N VAL A 98 -26.560 2.222 -17.231 1.00 9.56 N ATOM 800 CA VAL A 98 -27.512 1.271 -17.805 1.00 16.07 C ATOM 801 C VAL A 98 -28.895 1.672 -17.329 1.00 18.61 C ATOM 802 O VAL A 98 -29.111 1.854 -16.125 1.00 17.91 O ATOM 803 CB VAL A 98 -27.218 -0.195 -17.425 1.00 17.28 C ATOM 804 CG1 VAL A 98 -28.298 -1.112 -18.008 1.00 14.60 C ATOM 805 CG2 VAL A 98 -25.863 -0.621 -17.922 1.00 23.91 C ATOM 806 H VAL A 98 -26.452 2.264 -16.198 1.00 0.00 H ATOM 807 N ASN A 99 -29.824 1.817 -18.266 1.00 11.99 N ATOM 808 CA ASN A 99 -31.195 2.173 -17.943 1.00 11.57 C ATOM 809 C ASN A 99 -32.067 0.931 -17.993 1.00 16.28 C ATOM 810 O ASN A 99 -31.854 0.049 -18.826 1.00 19.05 O ATOM 811 CB ASN A 99 -31.717 3.243 -18.902 1.00 13.41 C ATOM 812 CG ASN A 99 -30.990 4.567 -18.734 1.00 14.99 C ATOM 813 OD1 ASN A 99 -30.627 4.944 -17.616 1.00 19.19 O ATOM 814 ND2 ASN A 99 -30.774 5.276 -19.844 1.00 22.20 N ATOM 815 HD22 ASN A 99 -31.100 4.915 -20.763 1.00 0.00 H ATOM 816 HD21 ASN A 99 -30.280 6.190 -19.790 1.00 0.00 H ATOM 817 H ASN A 99 -29.562 1.671 -19.262 1.00 0.00 H ATOM 818 N GLU A 100 -33.020 0.838 -17.067 1.00 11.92 N ATOM 819 CA GLU A 100 -33.965 -0.271 -17.043 1.00 6.85 C ATOM 820 C GLU A 100 -35.386 0.269 -17.061 1.00 11.24 C ATOM 821 O GLU A 100 -35.791 0.997 -16.145 1.00 16.80 O ATOM 822 CB GLU A 100 -33.763 -1.170 -15.816 1.00 12.37 C ATOM 823 CG GLU A 100 -34.988 -2.021 -15.476 1.00 16.12 C ATOM 824 CD GLU A 100 -35.287 -3.085 -16.545 1.00 35.19 C ATOM 825 OE1 GLU A 100 -34.335 -3.691 -17.076 1.00 26.98 O ATOM 826 OE2 GLU A 100 -36.475 -3.334 -16.853 1.00 28.69 O ATOM 827 H GLU A 100 -33.092 1.578 -16.340 1.00 0.00 H ATOM 828 N GLY A 101 -36.133 -0.074 -18.110 1.00 13.17 N ATOM 829 CA GLY A 101 -37.557 0.160 -18.131 1.00 17.44 C ATOM 830 C GLY A 101 -37.951 1.622 -18.199 1.00 28.34 C ATOM 831 O GLY A 101 -37.167 2.508 -18.561 1.00 19.05 O ATOM 832 H GLY A 101 -35.679 -0.521 -18.932 1.00 0.00 H ATOM 833 N SER A 102 -39.210 1.869 -17.822 1.00 18.12 N ATOM 834 CA SER A 102 -39.789 3.189 -18.036 1.00 14.32 C ATOM 835 C SER A 102 -39.169 4.222 -17.107 1.00 18.55 C ATOM 836 O SER A 102 -38.772 5.306 -17.549 1.00 17.39 O ATOM 837 CB SER A 102 -41.310 3.140 -17.856 1.00 16.01 C ATOM 838 OG SER A 102 -41.889 4.342 -18.339 1.00 26.71 O ATOM 839 HG SER A 102 -41.523 5.110 -17.833 1.00 0.00 H ATOM 840 H SER A 102 -39.776 1.119 -17.376 1.00 0.00 H ATOM 841 N ASP A 103 -39.059 3.907 -15.814 1.00 17.46 N ATOM 842 CA ASP A 103 -38.479 4.894 -14.909 1.00 22.48 C ATOM 843 C ASP A 103 -37.000 5.117 -15.193 1.00 15.58 C ATOM 844 O ASP A 103 -36.501 6.233 -15.021 1.00 17.30 O ATOM 845 CB ASP A 103 -38.680 4.471 -13.456 1.00 14.24 C ATOM 846 CG ASP A 103 -40.016 4.924 -12.893 1.00 28.98 C ATOM 847 OD1 ASP A 103 -40.756 5.637 -13.604 1.00 26.21 O ATOM 848 OD2 ASP A 103 -40.324 4.567 -11.733 1.00 29.26 O ATOM 849 H ASP A 103 -39.378 2.982 -15.461 1.00 0.00 H ATOM 850 N GLY A 104 -36.283 4.073 -15.622 1.00 15.83 N ATOM 851 CA GLY A 104 -34.873 4.236 -15.923 1.00 18.00 C ATOM 852 C GLY A 104 -34.612 4.997 -17.205 1.00 17.27 C ATOM 853 O GLY A 104 -33.511 5.527 -17.391 1.00 17.73 O ATOM 854 H GLY A 104 -36.736 3.144 -15.740 1.00 0.00 H ATOM 855 N GLY A 105 -35.600 5.066 -18.086 1.00 18.17 N ATOM 856 CA GLY A 105 -35.470 5.792 -19.322 1.00 15.96 C ATOM 857 C GLY A 105 -35.141 4.963 -20.545 1.00 17.91 C ATOM 858 O GLY A 105 -34.665 5.523 -21.531 1.00 28.49 O ATOM 859 H GLY A 105 -36.496 4.581 -17.878 1.00 0.00 H ATOM 860 N GLN A 106 -35.396 3.662 -20.526 1.00 17.71 N ATOM 861 CA GLN A 106 -34.986 2.798 -21.624 1.00 20.24 C ATOM 862 C GLN A 106 -35.931 2.955 -22.815 1.00 18.33 C ATOM 863 O GLN A 106 -37.150 2.815 -22.671 1.00 29.16 O ATOM 864 CB GLN A 106 -34.946 1.342 -21.149 1.00 12.31 C ATOM 865 CG GLN A 106 -34.536 0.327 -22.239 1.00 9.33 C ATOM 866 CD GLN A 106 -34.299 -1.050 -21.649 1.00 15.56 C ATOM 867 OE1 GLN A 106 -34.716 -1.328 -20.521 1.00 10.52 O ATOM 868 NE2 GLN A 106 -33.625 -1.909 -22.396 1.00 13.43 N ATOM 869 HE22 GLN A 106 -33.294 -1.628 -23.341 1.00 0.00 H ATOM 870 HE21 GLN A 106 -33.426 -2.865 -22.038 1.00 0.00 H ATOM 871 H GLN A 106 -35.898 3.251 -19.713 1.00 0.00 H ATOM 872 N SER A 107 -35.366 3.263 -23.979 1.00 18.16 N ATOM 873 CA SER A 107 -36.128 3.386 -25.215 1.00 17.66 C ATOM 874 C SER A 107 -35.916 2.221 -26.164 1.00 20.83 C ATOM 875 O SER A 107 -36.852 1.826 -26.862 1.00 22.58 O ATOM 876 CB SER A 107 -35.770 4.691 -25.934 1.00 25.72 C ATOM 877 OG SER A 107 -36.643 5.739 -25.547 1.00 26.85 O ATOM 878 HG SER A 107 -36.392 6.569 -26.024 1.00 0.00 H ATOM 879 H SER A 107 -34.339 3.423 -24.008 1.00 0.00 H ATOM 880 N VAL A 108 -34.713 1.655 -26.206 1.00 20.91 N ATOM 881 CA VAL A 108 -34.402 0.524 -27.073 1.00 12.80 C ATOM 882 C VAL A 108 -34.303 -0.701 -26.173 1.00 13.13 C ATOM 883 O VAL A 108 -33.533 -0.699 -25.205 1.00 16.16 O ATOM 884 CB VAL A 108 -33.100 0.730 -27.859 1.00 12.45 C ATOM 885 CG1 VAL A 108 -32.823 -0.482 -28.739 1.00 15.18 C ATOM 886 CG2 VAL A 108 -33.169 2.018 -28.700 1.00 18.23 C ATOM 887 H VAL A 108 -33.962 2.035 -25.595 1.00 0.00 H ATOM 888 N TYR A 109 -35.093 -1.732 -26.467 1.00 7.68 N ATOM 889 CA TYR A 109 -35.123 -2.903 -25.581 1.00 9.07 C ATOM 890 C TYR A 109 -34.136 -3.974 -26.053 1.00 11.76 C ATOM 891 O TYR A 109 -34.462 -5.098 -26.453 1.00 13.15 O ATOM 892 CB TYR A 109 -36.550 -3.410 -25.422 1.00 15.46 C ATOM 893 CG TYR A 109 -37.205 -2.572 -24.362 1.00 17.75 C ATOM 894 CD1 TYR A 109 -37.859 -1.394 -24.688 1.00 15.57 C ATOM 895 CD2 TYR A 109 -37.073 -2.903 -23.018 1.00 21.03 C ATOM 896 CE1 TYR A 109 -38.415 -0.592 -23.696 1.00 25.50 C ATOM 897 CE2 TYR A 109 -37.621 -2.121 -22.037 1.00 18.01 C ATOM 898 CZ TYR A 109 -38.285 -0.967 -22.375 1.00 11.82 C ATOM 899 OH TYR A 109 -38.830 -0.200 -21.369 1.00 19.65 O ATOM 900 HH TYR A 109 -39.273 0.593 -21.763 1.00 0.00 H ATOM 901 H TYR A 109 -35.686 -1.708 -27.321 1.00 0.00 H ATOM 902 N HIS A 110 -32.880 -3.553 -25.975 1.00 8.96 N ATOM 903 CA HIS A 110 -31.699 -4.383 -26.134 1.00 16.38 C ATOM 904 C HIS A 110 -30.703 -3.801 -25.146 1.00 15.10 C ATOM 905 O HIS A 110 -30.459 -2.591 -25.171 1.00 8.87 O ATOM 906 CB HIS A 110 -31.185 -4.325 -27.580 1.00 8.62 C ATOM 907 CG HIS A 110 -29.970 -5.156 -27.833 1.00 10.00 C ATOM 908 ND1 HIS A 110 -29.960 -6.210 -28.723 1.00 17.90 N ATOM 909 CD2 HIS A 110 -28.709 -5.053 -27.352 1.00 12.12 C ATOM 910 CE1 HIS A 110 -28.749 -6.737 -28.755 1.00 25.41 C ATOM 911 NE2 HIS A 110 -27.972 -6.054 -27.930 1.00 10.18 N ATOM 912 H HIS A 110 -32.728 -2.542 -25.784 1.00 0.00 H ATOM 913 N VAL A 111 -30.131 -4.657 -24.290 1.00 9.89 N ATOM 914 CA VAL A 111 -29.283 -4.190 -23.189 1.00 15.55 C ATOM 915 C VAL A 111 -28.147 -3.318 -23.714 1.00 13.51 C ATOM 916 O VAL A 111 -27.437 -3.682 -24.657 1.00 10.95 O ATOM 917 CB VAL A 111 -28.764 -5.401 -22.392 1.00 11.08 C ATOM 918 CG1 VAL A 111 -27.523 -5.054 -21.566 1.00 9.68 C ATOM 919 CG2 VAL A 111 -29.846 -5.912 -21.524 1.00 12.45 C ATOM 920 H VAL A 111 -30.292 -5.678 -24.409 1.00 0.00 H ATOM 921 N HIS A 112 -27.966 -2.147 -23.113 1.00 11.69 N ATOM 922 CA HIS A 112 -26.881 -1.298 -23.584 1.00 11.68 C ATOM 923 C HIS A 112 -26.288 -0.475 -22.444 1.00 17.49 C ATOM 924 O HIS A 112 -27.001 -0.014 -21.544 1.00 15.32 O ATOM 925 CB HIS A 112 -27.346 -0.386 -24.716 1.00 9.89 C ATOM 926 CG HIS A 112 -28.571 0.420 -24.408 1.00 15.03 C ATOM 927 ND1 HIS A 112 -29.837 -0.125 -24.374 1.00 14.60 N ATOM 928 CD2 HIS A 112 -28.725 1.745 -24.168 1.00 18.59 C ATOM 929 CE1 HIS A 112 -30.718 0.822 -24.099 1.00 14.18 C ATOM 930 NE2 HIS A 112 -30.069 1.968 -23.976 1.00 19.79 N ATOM 931 H HIS A 112 -28.581 -1.846 -22.330 1.00 0.00 H ATOM 932 N LEU A 113 -24.967 -0.321 -22.482 1.00 8.35 N ATOM 933 CA LEU A 113 -24.239 0.509 -21.532 1.00 5.56 C ATOM 934 C LEU A 113 -23.903 1.847 -22.187 1.00 10.10 C ATOM 935 O LEU A 113 -23.267 1.873 -23.242 1.00 11.34 O ATOM 936 CB LEU A 113 -22.965 -0.204 -21.080 1.00 13.08 C ATOM 937 CG LEU A 113 -22.066 0.571 -20.115 1.00 14.63 C ATOM 938 CD1 LEU A 113 -22.661 0.560 -18.714 1.00 15.57 C ATOM 939 CD2 LEU A 113 -20.648 -0.011 -20.100 1.00 16.53 C ATOM 940 H LEU A 113 -24.430 -0.815 -23.223 1.00 0.00 H ATOM 941 N HIS A 114 -24.337 2.947 -21.574 1.00 6.86 N ATOM 942 CA HIS A 114 -23.884 4.273 -22.004 1.00 8.23 C ATOM 943 C HIS A 114 -22.536 4.607 -21.380 1.00 9.57 C ATOM 944 O HIS A 114 -22.333 4.409 -20.180 1.00 9.42 O ATOM 945 CB HIS A 114 -24.874 5.361 -21.586 1.00 7.55 C ATOM 946 CG HIS A 114 -26.230 5.238 -22.203 1.00 9.38 C ATOM 947 ND1 HIS A 114 -26.630 6.009 -23.270 1.00 9.30 N ATOM 948 CD2 HIS A 114 -27.287 4.456 -21.886 1.00 15.70 C ATOM 949 CE1 HIS A 114 -27.875 5.704 -23.590 1.00 14.04 C ATOM 950 NE2 HIS A 114 -28.296 4.757 -22.769 1.00 13.13 N ATOM 951 H HIS A 114 -25.005 2.864 -20.781 1.00 0.00 H ATOM 952 N VAL A 115 -21.627 5.182 -22.174 1.00 7.73 N ATOM 953 CA VAL A 115 -20.397 5.760 -21.633 1.00 5.56 C ATOM 954 C VAL A 115 -20.299 7.203 -22.104 1.00 13.53 C ATOM 955 O VAL A 115 -20.238 7.446 -23.304 1.00 7.22 O ATOM 956 CB VAL A 115 -19.141 4.987 -22.052 1.00 7.08 C ATOM 957 CG1 VAL A 115 -17.914 5.543 -21.335 1.00 13.11 C ATOM 958 CG2 VAL A 115 -19.299 3.505 -21.772 1.00 11.58 C ATOM 959 H VAL A 115 -21.798 5.219 -23.199 1.00 0.00 H ATOM 960 N LEU A 116 -20.265 8.141 -21.162 1.00 7.83 N ATOM 961 CA LEU A 116 -20.284 9.580 -21.406 1.00 12.44 C ATOM 962 C LEU A 116 -19.073 10.249 -20.766 1.00 12.37 C ATOM 963 O LEU A 116 -18.753 9.985 -19.605 1.00 10.28 O ATOM 964 CB LEU A 116 -21.553 10.215 -20.826 1.00 12.54 C ATOM 965 CG LEU A 116 -22.912 9.660 -21.230 1.00 12.29 C ATOM 966 CD1 LEU A 116 -23.436 8.662 -20.189 1.00 9.84 C ATOM 967 CD2 LEU A 116 -23.860 10.821 -21.376 1.00 10.64 C ATOM 968 H LEU A 116 -20.221 7.824 -20.172 1.00 0.00 H ATOM 969 N GLY A 117 -18.427 11.150 -21.506 1.00 10.76 N ATOM 970 CA GLY A 117 -17.304 11.875 -20.945 1.00 13.33 C ATOM 971 C GLY A 117 -16.974 13.082 -21.801 1.00 8.97 C ATOM 972 O GLY A 117 -17.649 13.377 -22.793 1.00 15.23 O ATOM 973 H GLY A 117 -18.728 11.333 -22.485 1.00 0.00 H ATOM 974 N GLY A 118 -15.882 13.742 -21.434 1.00 10.60 N ATOM 975 CA GLY A 118 -15.466 14.936 -22.137 1.00 13.14 C ATOM 976 C GLY A 118 -16.033 16.197 -21.549 1.00 11.15 C ATOM 977 O GLY A 118 -15.793 17.284 -22.087 1.00 12.82 O ATOM 978 H GLY A 118 -15.319 13.396 -20.631 1.00 0.00 H ATOM 979 N ARG A 119 -16.798 16.084 -20.467 1.00 8.20 N ATOM 980 CA ARG A 119 -17.222 17.235 -19.696 1.00 14.51 C ATOM 981 C ARG A 119 -17.435 16.767 -18.266 1.00 8.52 C ATOM 982 O ARG A 119 -17.447 15.563 -17.980 1.00 8.66 O ATOM 983 CB ARG A 119 -18.491 17.871 -20.264 1.00 13.02 C ATOM 984 CG ARG A 119 -19.690 16.914 -20.332 1.00 16.24 C ATOM 985 CD ARG A 119 -20.984 17.711 -20.332 1.00 15.10 C ATOM 986 NE ARG A 119 -22.168 16.870 -20.489 1.00 26.36 N ATOM 987 CZ ARG A 119 -22.931 16.429 -19.491 1.00 10.12 C ATOM 988 NH1 ARG A 119 -22.670 16.766 -18.223 1.00 14.63 N ATOM 989 NH2 ARG A 119 -23.990 15.683 -19.767 1.00 11.92 N ATOM 990 HE ARG A 119 -22.436 16.594 -21.455 1.00 0.00 H ATOM 991 HH12 ARG A 119 -23.276 16.413 -17.456 1.00 0.00 H ATOM 992 HH11 ARG A 119 -21.861 17.382 -18.005 1.00 0.00 H ATOM 993 HH22 ARG A 119 -24.594 15.332 -18.997 1.00 0.00 H ATOM 994 HH21 ARG A 119 -24.217 15.448 -20.754 1.00 0.00 H ATOM 995 H ARG A 119 -17.102 15.137 -20.164 1.00 0.00 H ATOM 996 N GLN A 120 -17.585 17.733 -17.366 1.00 13.47 N ATOM 997 CA GLN A 120 -17.967 17.419 -15.997 1.00 11.91 C ATOM 998 C GLN A 120 -19.388 16.874 -15.976 1.00 12.44 C ATOM 999 O GLN A 120 -20.321 17.535 -16.440 1.00 12.94 O ATOM 1000 CB GLN A 120 -17.871 18.654 -15.111 1.00 12.50 C ATOM 1001 CG GLN A 120 -18.309 18.386 -13.691 1.00 12.57 C ATOM 1002 CD GLN A 120 -17.315 17.525 -12.956 1.00 15.98 C ATOM 1003 OE1 GLN A 120 -16.161 17.925 -12.756 1.00 14.73 O ATOM 1004 NE2 GLN A 120 -17.741 16.327 -12.567 1.00 11.64 N ATOM 1005 HE22 GLN A 120 -18.721 16.036 -12.758 1.00 0.00 H ATOM 1006 HE21 GLN A 120 -17.094 15.681 -12.071 1.00 0.00 H ATOM 1007 H GLN A 120 -17.428 18.723 -17.642 1.00 0.00 H ATOM 1008 N MET A 121 -19.557 15.659 -15.458 1.00 14.52 N ATOM 1009 CA MET A 121 -20.887 15.117 -15.250 1.00 9.30 C ATOM 1010 C MET A 121 -21.400 15.591 -13.898 1.00 14.60 C ATOM 1011 O MET A 121 -20.622 15.726 -12.954 1.00 9.17 O ATOM 1012 CB MET A 121 -20.855 13.591 -15.324 1.00 12.87 C ATOM 1013 CG MET A 121 -20.208 13.089 -16.607 1.00 13.18 C ATOM 1014 SD MET A 121 -21.101 13.565 -18.125 1.00 15.00 S ATOM 1015 CE MET A 121 -22.663 12.726 -17.871 1.00 16.71 C ATOM 1016 H MET A 121 -18.725 15.091 -15.199 1.00 0.00 H ATOM 1017 N HIS A 122 -22.701 15.859 -13.817 1.00 9.85 N ATOM 1018 CA HIS A 122 -23.310 16.413 -12.616 1.00 14.13 C ATOM 1019 C HIS A 122 -23.994 15.321 -11.797 1.00 16.29 C ATOM 1020 O HIS A 122 -24.226 14.209 -12.254 1.00 7.15 O ATOM 1021 CB HIS A 122 -24.328 17.500 -12.967 1.00 12.74 C ATOM 1022 CG HIS A 122 -23.792 18.565 -13.875 1.00 16.40 C ATOM 1023 ND1 HIS A 122 -22.502 19.046 -13.788 1.00 19.75 N ATOM 1024 CD2 HIS A 122 -24.368 19.219 -14.911 1.00 20.85 C ATOM 1025 CE1 HIS A 122 -22.311 19.962 -14.722 1.00 9.33 C ATOM 1026 NE2 HIS A 122 -23.426 20.083 -15.420 1.00 30.88 N ATOM 1027 H HIS A 122 -23.305 15.666 -14.641 1.00 0.00 H ATOM 1028 N TRP A 123 -24.357 15.679 -10.577 1.00 9.01 N ATOM 1029 CA TRP A 123 -25.108 14.808 -9.696 1.00 12.59 C ATOM 1030 C TRP A 123 -26.398 15.513 -9.302 1.00 24.08 C ATOM 1031 O TRP A 123 -26.376 16.723 -9.075 1.00 18.12 O ATOM 1032 CB TRP A 123 -24.280 14.468 -8.443 1.00 10.86 C ATOM 1033 CG TRP A 123 -24.639 13.175 -7.763 1.00 10.95 C ATOM 1034 CD1 TRP A 123 -25.144 13.024 -6.491 1.00 12.40 C ATOM 1035 CD2 TRP A 123 -24.521 11.851 -8.307 1.00 13.52 C ATOM 1036 NE1 TRP A 123 -25.349 11.690 -6.223 1.00 12.93 N ATOM 1037 CE2 TRP A 123 -24.978 10.952 -7.323 1.00 16.95 C ATOM 1038 CE3 TRP A 123 -24.086 11.340 -9.540 1.00 8.95 C ATOM 1039 CZ2 TRP A 123 -24.994 9.570 -7.522 1.00 15.55 C ATOM 1040 CZ3 TRP A 123 -24.095 9.955 -9.727 1.00 6.44 C ATOM 1041 CH2 TRP A 123 -24.558 9.096 -8.729 1.00 14.43 C ATOM 1042 HE1 TRP A 123 -25.724 11.303 -5.333 1.00 0.00 H ATOM 1043 H TRP A 123 -24.092 16.625 -10.236 1.00 0.00 H ATOM 1044 N PRO A 124 -27.537 14.809 -9.223 1.00 14.22 N ATOM 1045 CA PRO A 124 -27.768 13.379 -9.411 1.00 9.12 C ATOM 1046 C PRO A 124 -27.679 13.017 -10.878 1.00 10.32 C ATOM 1047 O PRO A 124 -27.728 13.917 -11.717 1.00 10.36 O ATOM 1048 CB PRO A 124 -29.184 13.184 -8.881 1.00 11.97 C ATOM 1049 CG PRO A 124 -29.849 14.483 -9.155 1.00 14.69 C ATOM 1050 CD PRO A 124 -28.797 15.541 -9.004 1.00 17.55 C ATOM 1051 N PRO A 125 -27.536 11.730 -11.185 1.00 11.75 N ATOM 1052 CA PRO A 125 -27.384 11.308 -12.588 1.00 14.80 C ATOM 1053 C PRO A 125 -28.732 11.217 -13.297 1.00 17.88 C ATOM 1054 O PRO A 125 -29.179 10.142 -13.721 1.00 15.32 O ATOM 1055 CB PRO A 125 -26.687 9.951 -12.442 1.00 7.45 C ATOM 1056 CG PRO A 125 -27.299 9.376 -11.202 1.00 10.41 C ATOM 1057 CD PRO A 125 -27.510 10.581 -10.263 1.00 12.06 C ATOM 1058 N GLY A 126 -29.397 12.365 -13.411 1.00 14.09 N ATOM 1059 CA GLY A 126 -30.757 12.429 -13.905 1.00 19.53 C ATOM 1060 C GLY A 126 -31.777 12.157 -12.818 1.00 21.27 C ATOM 1061 O GLY A 126 -32.972 12.033 -13.099 1.00 12.34 O ATOM 1062 OXT GLY A 126 -31.433 12.040 -11.629 1.00 25.23 O ATOM 1063 H GLY A 126 -28.922 13.248 -13.135 1.00 0.00 H TER 1064 GLY A 126 ATOM 1065 N THR B 17 -10.709 3.362 2.217 1.00 16.89 N ATOM 1066 CA THR B 17 -11.889 4.209 2.064 1.00 13.74 C ATOM 1067 C THR B 17 -12.961 3.941 3.108 1.00 23.69 C ATOM 1068 O THR B 17 -12.944 2.914 3.794 1.00 15.54 O ATOM 1069 CB THR B 17 -12.555 4.027 0.699 1.00 21.62 C ATOM 1070 OG1 THR B 17 -13.207 2.750 0.668 1.00 16.17 O ATOM 1071 CG2 THR B 17 -11.538 4.140 -0.451 1.00 20.31 C ATOM 1072 HG1 THR B 17 -13.891 2.713 1.383 1.00 0.00 H ATOM 1073 HN3 THR B 17 -10.987 2.363 2.132 1.00 0.00 H ATOM 1074 HN2 THR B 17 -10.285 3.527 3.152 1.00 0.00 H ATOM 1075 HN1 THR B 17 -10.018 3.595 1.475 1.00 0.00 H ATOM 1076 N ILE B 18 -13.934 4.854 3.185 1.00 9.20 N ATOM 1077 CA ILE B 18 -15.070 4.640 4.076 1.00 10.64 C ATOM 1078 C ILE B 18 -15.851 3.384 3.673 1.00 26.53 C ATOM 1079 O ILE B 18 -16.458 2.716 4.522 1.00 14.87 O ATOM 1080 CB ILE B 18 -15.961 5.899 4.104 1.00 10.24 C ATOM 1081 CG1 ILE B 18 -16.985 5.815 5.240 1.00 17.05 C ATOM 1082 CG2 ILE B 18 -16.651 6.101 2.747 1.00 25.88 C ATOM 1083 CD1 ILE B 18 -17.716 7.118 5.525 1.00 15.64 C ATOM 1084 H ILE B 18 -13.882 5.718 2.609 1.00 0.00 H ATOM 1085 N PHE B 19 -15.838 3.026 2.385 1.00 11.77 N ATOM 1086 CA PHE B 19 -16.507 1.794 1.966 1.00 12.20 C ATOM 1087 C PHE B 19 -15.792 0.561 2.499 1.00 17.69 C ATOM 1088 O PHE B 19 -16.422 -0.489 2.704 1.00 13.89 O ATOM 1089 CB PHE B 19 -16.592 1.737 0.437 1.00 18.56 C ATOM 1090 CG PHE B 19 -17.648 2.633 -0.152 1.00 19.38 C ATOM 1091 CD1 PHE B 19 -18.467 3.409 0.657 1.00 14.54 C ATOM 1092 CD2 PHE B 19 -17.830 2.684 -1.519 1.00 16.52 C ATOM 1093 CE1 PHE B 19 -19.450 4.232 0.099 1.00 13.68 C ATOM 1094 CE2 PHE B 19 -18.795 3.492 -2.073 1.00 9.64 C ATOM 1095 CZ PHE B 19 -19.601 4.262 -1.281 1.00 12.40 C ATOM 1096 H PHE B 19 -15.354 3.621 1.683 1.00 0.00 H ATOM 1097 N GLY B 20 -14.476 0.653 2.679 1.00 12.92 N ATOM 1098 CA GLY B 20 -13.761 -0.419 3.334 1.00 9.83 C ATOM 1099 C GLY B 20 -14.257 -0.628 4.750 1.00 13.46 C ATOM 1100 O GLY B 20 -14.483 -1.760 5.171 1.00 10.95 O ATOM 1101 H GLY B 20 -13.963 1.495 2.349 1.00 0.00 H ATOM 1102 N LYS B 21 -14.473 0.472 5.484 1.00 12.09 N ATOM 1103 CA LYS B 21 -14.999 0.383 6.846 1.00 8.04 C ATOM 1104 C LYS B 21 -16.393 -0.228 6.856 1.00 14.25 C ATOM 1105 O LYS B 21 -16.768 -0.945 7.793 1.00 16.68 O ATOM 1106 CB LYS B 21 -15.038 1.778 7.484 1.00 15.99 C ATOM 1107 CG LYS B 21 -13.717 2.521 7.477 1.00 20.46 C ATOM 1108 CD LYS B 21 -13.888 3.921 8.062 1.00 27.80 C ATOM 1109 CE LYS B 21 -12.651 4.395 8.807 1.00 31.96 C ATOM 1110 NZ LYS B 21 -12.626 3.867 10.198 1.00 27.74 N ATOM 1111 HZ1 LYS B 21 -13.469 4.199 10.709 1.00 0.00 H ATOM 1112 HZ2 LYS B 21 -12.621 2.827 10.173 1.00 0.00 H ATOM 1113 HZ3 LYS B 21 -11.770 4.207 10.681 1.00 0.00 H ATOM 1114 H LYS B 21 -14.263 1.406 5.078 1.00 0.00 H ATOM 1115 N ILE B 22 -17.182 0.067 5.828 1.00 9.38 N ATOM 1116 CA ILE B 22 -18.533 -0.462 5.755 1.00 7.13 C ATOM 1117 C ILE B 22 -18.487 -1.958 5.495 1.00 11.96 C ATOM 1118 O ILE B 22 -19.170 -2.737 6.173 1.00 11.60 O ATOM 1119 CB ILE B 22 -19.333 0.311 4.688 1.00 7.83 C ATOM 1120 CG1 ILE B 22 -19.772 1.664 5.246 1.00 10.20 C ATOM 1121 CG2 ILE B 22 -20.570 -0.457 4.276 1.00 16.36 C ATOM 1122 CD1 ILE B 22 -20.487 2.532 4.215 1.00 18.64 C ATOM 1123 H ILE B 22 -16.829 0.683 5.068 1.00 0.00 H ATOM 1124 N ILE B 23 -17.638 -2.386 4.554 1.00 7.95 N ATOM 1125 CA ILE B 23 -17.460 -3.821 4.287 1.00 13.11 C ATOM 1126 C ILE B 23 -16.994 -4.559 5.543 1.00 17.79 C ATOM 1127 O ILE B 23 -17.414 -5.696 5.805 1.00 9.81 O ATOM 1128 CB ILE B 23 -16.475 -4.024 3.121 1.00 18.12 C ATOM 1129 CG1 ILE B 23 -17.144 -3.753 1.791 1.00 20.48 C ATOM 1130 CG2 ILE B 23 -15.946 -5.444 3.079 1.00 15.25 C ATOM 1131 CD1 ILE B 23 -16.155 -3.740 0.648 1.00 14.72 C ATOM 1132 H ILE B 23 -17.095 -1.692 4.002 1.00 0.00 H ATOM 1133 N ARG B 24 -16.110 -3.939 6.329 1.00 7.68 N ATOM 1134 CA ARG B 24 -15.597 -4.584 7.537 1.00 12.88 C ATOM 1135 C ARG B 24 -16.539 -4.443 8.723 1.00 20.22 C ATOM 1136 O ARG B 24 -16.204 -4.927 9.819 1.00 12.62 O ATOM 1137 CB ARG B 24 -14.213 -4.029 7.892 1.00 14.24 C ATOM 1138 CG ARG B 24 -13.169 -4.299 6.808 1.00 19.59 C ATOM 1139 CD ARG B 24 -11.751 -3.990 7.253 1.00 27.02 C ATOM 1140 NE ARG B 24 -11.573 -2.583 7.586 1.00 26.96 N ATOM 1141 CZ ARG B 24 -11.291 -1.632 6.698 1.00 20.04 C ATOM 1142 NH1 ARG B 24 -11.163 -1.934 5.415 1.00 17.91 N ATOM 1143 NH2 ARG B 24 -11.143 -0.372 7.097 1.00 24.50 N ATOM 1144 HE ARG B 24 -11.673 -2.303 8.583 1.00 0.00 H ATOM 1145 HH12 ARG B 24 -10.943 -1.188 4.725 1.00 0.00 H ATOM 1146 HH11 ARG B 24 -11.283 -2.917 5.098 1.00 0.00 H ATOM 1147 HH22 ARG B 24 -10.923 0.371 6.403 1.00 0.00 H ATOM 1148 HH21 ARG B 24 -11.248 -0.129 8.103 1.00 0.00 H ATOM 1149 H ARG B 24 -15.782 -2.984 6.079 1.00 0.00 H ATOM 1150 N LYS B 25 -17.690 -3.794 8.524 1.00 10.36 N ATOM 1151 CA LYS B 25 -18.732 -3.612 9.533 1.00 10.36 C ATOM 1152 C LYS B 25 -18.260 -2.721 10.677 1.00 16.62 C ATOM 1153 O LYS B 25 -18.785 -2.792 11.794 1.00 13.08 O ATOM 1154 CB LYS B 25 -19.251 -4.954 10.069 1.00 11.51 C ATOM 1155 CG LYS B 25 -19.503 -6.008 8.966 1.00 12.91 C ATOM 1156 CD LYS B 25 -20.366 -5.427 7.850 1.00 16.28 C ATOM 1157 CE LYS B 25 -20.480 -6.381 6.680 1.00 21.88 C ATOM 1158 NZ LYS B 25 -20.972 -7.703 7.147 1.00 16.33 N ATOM 1159 HZ1 LYS B 25 -20.305 -8.093 7.843 1.00 0.00 H ATOM 1160 HZ2 LYS B 25 -21.907 -7.588 7.587 1.00 0.00 H ATOM 1161 HZ3 LYS B 25 -21.047 -8.350 6.336 1.00 0.00 H ATOM 1162 H LYS B 25 -17.857 -3.388 7.581 1.00 0.00 H ATOM 1163 N GLU B 26 -17.276 -1.868 10.392 1.00 9.65 N ATOM 1164 CA GLU B 26 -16.732 -0.976 11.404 1.00 17.51 C ATOM 1165 C GLU B 26 -17.586 0.258 11.597 1.00 20.69 C ATOM 1166 O GLU B 26 -17.520 0.882 12.657 1.00 25.37 O ATOM 1167 CB GLU B 26 -15.309 -0.562 11.032 1.00 10.13 C ATOM 1168 CG GLU B 26 -14.376 -1.726 10.799 1.00 10.64 C ATOM 1169 CD GLU B 26 -13.005 -1.276 10.342 1.00 30.92 C ATOM 1170 OE1 GLU B 26 -12.893 -0.174 9.758 1.00 61.81 O ATOM 1171 OE2 GLU B 26 -12.036 -2.025 10.561 1.00 21.45 O ATOM 1172 H GLU B 26 -16.890 -1.840 9.427 1.00 0.00 H ATOM 1173 N ILE B 27 -18.362 0.643 10.592 1.00 14.21 N ATOM 1174 CA ILE B 27 -19.342 1.709 10.760 1.00 20.03 C ATOM 1175 C ILE B 27 -20.654 1.207 10.179 1.00 23.64 C ATOM 1176 O ILE B 27 -20.659 0.281 9.354 1.00 15.75 O ATOM 1177 CB ILE B 27 -18.880 3.024 10.092 1.00 19.05 C ATOM 1178 CG1 ILE B 27 -18.793 2.866 8.580 1.00 23.48 C ATOM 1179 CG2 ILE B 27 -17.540 3.466 10.656 1.00 26.76 C ATOM 1180 CD1 ILE B 27 -18.551 4.178 7.886 1.00 22.82 C ATOM 1181 H ILE B 27 -18.269 0.176 9.668 1.00 0.00 H ATOM 1182 N PRO B 28 -21.779 1.766 10.612 1.00 27.06 N ATOM 1183 CA PRO B 28 -23.068 1.202 10.213 1.00 19.97 C ATOM 1184 C PRO B 28 -23.511 1.637 8.827 1.00 19.16 C ATOM 1185 O PRO B 28 -23.202 2.732 8.343 1.00 17.42 O ATOM 1186 CB PRO B 28 -24.028 1.728 11.285 1.00 27.31 C ATOM 1187 CG PRO B 28 -23.429 3.006 11.705 1.00 28.36 C ATOM 1188 CD PRO B 28 -21.940 2.792 11.657 1.00 21.78 C ATOM 1189 N ALA B 29 -24.262 0.738 8.200 1.00 12.11 N ATOM 1190 CA ALA B 29 -24.897 0.973 6.912 1.00 16.39 C ATOM 1191 C ALA B 29 -26.115 0.069 6.844 1.00 19.89 C ATOM 1192 O ALA B 29 -26.127 -1.017 7.428 1.00 20.85 O ATOM 1193 CB ALA B 29 -23.942 0.703 5.744 1.00 20.74 C ATOM 1194 H ALA B 29 -24.404 -0.186 8.656 1.00 0.00 H ATOM 1195 N LYS B 30 -27.145 0.531 6.138 1.00 14.57 N ATOM 1196 CA LYS B 30 -28.381 -0.238 5.996 1.00 14.89 C ATOM 1197 C LYS B 30 -28.179 -1.246 4.869 1.00 19.36 C ATOM 1198 O LYS B 30 -28.377 -0.947 3.690 1.00 14.98 O ATOM 1199 CB LYS B 30 -29.564 0.691 5.747 1.00 15.95 C ATOM 1200 CG LYS B 30 -29.713 1.772 6.825 1.00 11.67 C ATOM 1201 CD LYS B 30 -30.848 2.742 6.536 1.00 16.15 C ATOM 1202 CE LYS B 30 -30.777 3.957 7.460 1.00 16.33 C ATOM 1203 NZ LYS B 30 -32.050 4.729 7.490 1.00 13.65 N ATOM 1204 HZ1 LYS B 30 -32.271 5.068 6.532 1.00 0.00 H ATOM 1205 HZ2 LYS B 30 -32.819 4.115 7.828 1.00 0.00 H ATOM 1206 HZ3 LYS B 30 -31.946 5.541 8.131 1.00 0.00 H ATOM 1207 H LYS B 30 -27.069 1.460 5.677 1.00 0.00 H ATOM 1208 N ILE B 31 -27.775 -2.459 5.245 1.00 19.65 N ATOM 1209 CA ILE B 31 -27.374 -3.486 4.281 1.00 16.89 C ATOM 1210 C ILE B 31 -28.601 -4.165 3.697 1.00 20.19 C ATOM 1211 O ILE B 31 -29.505 -4.592 4.429 1.00 13.58 O ATOM 1212 CB ILE B 31 -26.451 -4.523 4.938 1.00 17.56 C ATOM 1213 CG1 ILE B 31 -25.212 -3.849 5.518 1.00 14.29 C ATOM 1214 CG2 ILE B 31 -26.066 -5.594 3.934 1.00 19.81 C ATOM 1215 CD1 ILE B 31 -24.260 -4.807 6.199 1.00 22.78 C ATOM 1216 H ILE B 31 -27.743 -2.684 6.260 1.00 0.00 H ATOM 1217 N ILE B 32 -28.602 -4.306 2.376 1.00 17.45 N ATOM 1218 CA ILE B 32 -29.684 -4.925 1.631 1.00 16.47 C ATOM 1219 C ILE B 32 -29.380 -6.384 1.331 1.00 11.77 C ATOM 1220 O ILE B 32 -30.253 -7.240 1.451 1.00 17.84 O ATOM 1221 CB ILE B 32 -29.921 -4.141 0.321 1.00 10.40 C ATOM 1222 CG1 ILE B 32 -30.438 -2.745 0.621 1.00 11.52 C ATOM 1223 CG2 ILE B 32 -30.913 -4.851 -0.588 1.00 11.26 C ATOM 1224 CD1 ILE B 32 -30.211 -1.822 -0.525 1.00 10.35 C ATOM 1225 H ILE B 32 -27.781 -3.953 1.845 1.00 0.00 H ATOM 1226 N PHE B 33 -28.138 -6.671 0.957 1.00 8.88 N ATOM 1227 CA PHE B 33 -27.744 -8.014 0.550 1.00 7.55 C ATOM 1228 C PHE B 33 -26.237 -8.140 0.677 1.00 12.77 C ATOM 1229 O PHE B 33 -25.508 -7.174 0.469 1.00 13.84 O ATOM 1230 CB PHE B 33 -28.165 -8.324 -0.889 1.00 17.26 C ATOM 1231 CG PHE B 33 -27.630 -9.637 -1.383 1.00 22.66 C ATOM 1232 CD1 PHE B 33 -26.508 -9.689 -2.195 1.00 19.20 C ATOM 1233 CD2 PHE B 33 -28.211 -10.825 -0.974 1.00 25.49 C ATOM 1234 CE1 PHE B 33 -26.000 -10.906 -2.618 1.00 20.54 C ATOM 1235 CE2 PHE B 33 -27.710 -12.044 -1.404 1.00 28.57 C ATOM 1236 CZ PHE B 33 -26.608 -12.082 -2.220 1.00 23.12 C ATOM 1237 H PHE B 33 -27.425 -5.914 0.955 1.00 0.00 H ATOM 1238 N GLU B 34 -25.773 -9.343 1.015 1.00 10.91 N ATOM 1239 CA GLU B 34 -24.337 -9.589 1.082 1.00 9.55 C ATOM 1240 C GLU B 34 -24.069 -11.034 0.678 1.00 15.92 C ATOM 1241 O GLU B 34 -24.874 -11.926 0.972 1.00 14.40 O ATOM 1242 CB GLU B 34 -23.797 -9.284 2.491 1.00 8.47 C ATOM 1243 CG GLU B 34 -22.304 -9.510 2.660 1.00 10.65 C ATOM 1244 CD GLU B 34 -21.785 -9.048 4.005 1.00 17.00 C ATOM 1245 OE1 GLU B 34 -22.605 -8.718 4.887 1.00 17.57 O ATOM 1246 OE2 GLU B 34 -20.553 -9.018 4.170 1.00 21.97 O ATOM 1247 H GLU B 34 -26.439 -10.111 1.232 1.00 0.00 H ATOM 1248 N ASP B 35 -22.968 -11.257 -0.032 1.00 16.00 N ATOM 1249 CA ASP B 35 -22.489 -12.613 -0.274 1.00 17.73 C ATOM 1250 C ASP B 35 -20.977 -12.603 -0.045 1.00 18.51 C ATOM 1251 O ASP B 35 -20.414 -11.739 0.644 1.00 14.34 O ATOM 1252 CB ASP B 35 -22.980 -13.132 -1.643 1.00 13.42 C ATOM 1253 CG ASP B 35 -22.382 -12.399 -2.831 1.00 20.79 C ATOM 1254 OD1 ASP B 35 -21.374 -11.684 -2.674 1.00 11.94 O ATOM 1255 OD2 ASP B 35 -22.935 -12.555 -3.952 1.00 18.65 O ATOM 1256 H ASP B 35 -22.439 -10.451 -0.422 1.00 0.00 H ATOM 1257 N ASP B 36 -20.282 -13.594 -0.588 1.00 14.60 N ATOM 1258 CA ASP B 36 -18.865 -13.718 -0.283 1.00 10.07 C ATOM 1259 C ASP B 36 -18.011 -12.735 -1.064 1.00 15.83 C ATOM 1260 O ASP B 36 -16.824 -12.600 -0.754 1.00 15.18 O ATOM 1261 CB ASP B 36 -18.376 -15.136 -0.564 1.00 16.07 C ATOM 1262 CG ASP B 36 -18.565 -15.519 -2.002 1.00 19.98 C ATOM 1263 OD1 ASP B 36 -19.409 -14.870 -2.662 1.00 22.21 O ATOM 1264 OD2 ASP B 36 -17.883 -16.454 -2.477 1.00 20.30 O ATOM 1265 H ASP B 36 -20.745 -14.274 -1.224 1.00 0.00 H ATOM 1266 N ARG B 37 -18.575 -12.063 -2.073 1.00 11.26 N ATOM 1267 CA ARG B 37 -17.787 -11.202 -2.943 1.00 12.52 C ATOM 1268 C ARG B 37 -18.372 -9.814 -3.173 1.00 11.04 C ATOM 1269 O ARG B 37 -17.793 -9.055 -3.963 1.00 12.44 O ATOM 1270 CB ARG B 37 -17.579 -11.877 -4.312 1.00 12.84 C ATOM 1271 CG ARG B 37 -18.868 -12.202 -5.066 1.00 13.30 C ATOM 1272 CD ARG B 37 -18.625 -13.323 -6.085 1.00 12.29 C ATOM 1273 NE ARG B 37 -18.341 -14.587 -5.402 1.00 13.88 N ATOM 1274 CZ ARG B 37 -17.915 -15.696 -5.998 1.00 28.68 C ATOM 1275 NH1 ARG B 37 -17.712 -15.711 -7.312 1.00 22.88 N ATOM 1276 NH2 ARG B 37 -17.686 -16.793 -5.275 1.00 15.61 N ATOM 1277 HE ARG B 37 -18.483 -14.619 -4.372 1.00 0.00 H ATOM 1278 HH12 ARG B 37 -17.379 -16.580 -7.777 1.00 0.00 H ATOM 1279 HH11 ARG B 37 -17.887 -14.854 -7.875 1.00 0.00 H ATOM 1280 HH22 ARG B 37 -17.353 -17.662 -5.740 1.00 0.00 H ATOM 1281 HH21 ARG B 37 -17.841 -16.780 -4.247 1.00 0.00 H ATOM 1282 H ARG B 37 -19.597 -12.157 -2.240 1.00 0.00 H ATOM 1283 N CYS B 38 -19.493 -9.459 -2.547 1.00 13.87 N ATOM 1284 CA CYS B 38 -20.022 -8.107 -2.725 1.00 18.94 C ATOM 1285 C CYS B 38 -20.974 -7.755 -1.589 1.00 14.82 C ATOM 1286 O CYS B 38 -21.424 -8.611 -0.829 1.00 12.82 O ATOM 1287 CB CYS B 38 -20.728 -7.939 -4.080 1.00 10.66 C ATOM 1288 SG CYS B 38 -22.389 -8.677 -4.168 1.00 17.29 S ATOM 1289 H CYS B 38 -19.989 -10.139 -1.936 1.00 0.00 H ATOM 1290 N LEU B 39 -21.292 -6.463 -1.508 1.00 12.61 N ATOM 1291 CA LEU B 39 -22.167 -5.916 -0.492 1.00 14.96 C ATOM 1292 C LEU B 39 -23.077 -4.891 -1.151 1.00 15.99 C ATOM 1293 O LEU B 39 -22.624 -4.086 -1.973 1.00 14.90 O ATOM 1294 CB LEU B 39 -21.359 -5.254 0.638 1.00 13.03 C ATOM 1295 CG LEU B 39 -22.087 -4.784 1.893 1.00 18.20 C ATOM 1296 CD1 LEU B 39 -22.775 -5.937 2.586 1.00 12.86 C ATOM 1297 CD2 LEU B 39 -21.091 -4.123 2.847 1.00 17.37 C ATOM 1298 H LEU B 39 -20.890 -5.812 -2.213 1.00 0.00 H ATOM 1299 N ALA B 40 -24.357 -4.929 -0.802 1.00 12.60 N ATOM 1300 CA ALA B 40 -25.313 -3.940 -1.277 1.00 14.50 C ATOM 1301 C ALA B 40 -25.935 -3.239 -0.085 1.00 11.67 C ATOM 1302 O ALA B 40 -26.331 -3.886 0.887 1.00 11.05 O ATOM 1303 CB ALA B 40 -26.401 -4.580 -2.135 1.00 11.95 C ATOM 1304 H ALA B 40 -24.686 -5.687 -0.171 1.00 0.00 H ATOM 1305 N PHE B 41 -26.034 -1.918 -0.158 1.00 9.80 N ATOM 1306 CA PHE B 41 -26.537 -1.164 0.981 1.00 13.17 C ATOM 1307 C PHE B 41 -27.059 0.169 0.473 1.00 14.32 C ATOM 1308 O PHE B 41 -26.632 0.648 -0.577 1.00 11.67 O ATOM 1309 CB PHE B 41 -25.447 -0.966 2.049 1.00 10.45 C ATOM 1310 CG PHE B 41 -24.221 -0.263 1.539 1.00 17.19 C ATOM 1311 CD1 PHE B 41 -24.062 1.100 1.719 1.00 20.95 C ATOM 1312 CD2 PHE B 41 -23.233 -0.958 0.872 1.00 14.59 C ATOM 1313 CE1 PHE B 41 -22.942 1.754 1.235 1.00 12.35 C ATOM 1314 CE2 PHE B 41 -22.105 -0.310 0.389 1.00 13.92 C ATOM 1315 CZ PHE B 41 -21.965 1.048 0.570 1.00 9.88 C ATOM 1316 H PHE B 41 -25.753 -1.422 -1.028 1.00 0.00 H ATOM 1317 N HIS B 42 -27.989 0.750 1.227 1.00 14.13 N ATOM 1318 CA HIS B 42 -28.588 2.027 0.855 1.00 7.83 C ATOM 1319 C HIS B 42 -27.568 3.151 0.956 1.00 13.09 C ATOM 1320 O HIS B 42 -26.722 3.169 1.856 1.00 15.86 O ATOM 1321 CB HIS B 42 -29.797 2.332 1.739 1.00 14.44 C ATOM 1322 CG HIS B 42 -30.933 1.368 1.571 1.00 24.56 C ATOM 1323 ND1 HIS B 42 -31.921 1.535 0.623 1.00 16.50 N ATOM 1324 CD2 HIS B 42 -31.234 0.221 2.229 1.00 22.05 C ATOM 1325 CE1 HIS B 42 -32.789 0.540 0.713 1.00 17.51 C ATOM 1326 NE2 HIS B 42 -32.393 -0.273 1.677 1.00 15.62 N ATOM 1327 H HIS B 42 -28.296 0.282 2.103 1.00 0.00 H ATOM 1328 N ASP B 43 -27.684 4.105 0.030 1.00 10.75 N ATOM 1329 CA ASP B 43 -26.810 5.274 -0.027 1.00 11.77 C ATOM 1330 C ASP B 43 -27.146 6.262 1.086 1.00 14.04 C ATOM 1331 O ASP B 43 -28.316 6.559 1.340 1.00 14.82 O ATOM 1332 CB ASP B 43 -26.954 5.957 -1.390 1.00 7.92 C ATOM 1333 CG ASP B 43 -25.833 6.942 -1.687 1.00 14.73 C ATOM 1334 OD1 ASP B 43 -25.610 7.869 -0.875 1.00 11.64 O ATOM 1335 OD2 ASP B 43 -25.179 6.803 -2.749 1.00 18.41 O ATOM 1336 H ASP B 43 -28.433 4.012 -0.686 1.00 0.00 H ATOM 1337 N ILE B 44 -26.108 6.799 1.736 1.00 11.56 N ATOM 1338 CA ILE B 44 -26.351 7.703 2.858 1.00 12.33 C ATOM 1339 C ILE B 44 -26.856 9.067 2.410 1.00 18.26 C ATOM 1340 O ILE B 44 -27.391 9.829 3.230 1.00 14.92 O ATOM 1341 CB ILE B 44 -25.077 7.832 3.713 1.00 14.09 C ATOM 1342 CG1 ILE B 44 -25.427 8.410 5.090 1.00 23.40 C ATOM 1343 CG2 ILE B 44 -24.013 8.622 2.986 1.00 15.69 C ATOM 1344 CD1 ILE B 44 -24.310 8.368 6.066 1.00 23.10 C ATOM 1345 H ILE B 44 -25.135 6.575 1.445 1.00 0.00 H ATOM 1346 N SER B 45 -26.704 9.394 1.131 1.00 12.40 N ATOM 1347 CA SER B 45 -27.206 10.638 0.542 1.00 17.51 C ATOM 1348 C SER B 45 -28.035 10.291 -0.689 1.00 19.10 C ATOM 1349 O SER B 45 -27.602 10.505 -1.830 1.00 19.08 O ATOM 1350 CB SER B 45 -26.052 11.575 0.178 1.00 14.26 C ATOM 1351 OG SER B 45 -26.524 12.801 -0.355 1.00 18.84 O ATOM 1352 HG SER B 45 -27.052 12.622 -1.173 1.00 0.00 H ATOM 1353 H SER B 45 -26.199 8.728 0.512 1.00 0.00 H ATOM 1354 N PRO B 46 -29.242 9.756 -0.493 1.00 16.45 N ATOM 1355 CA PRO B 46 -29.994 9.213 -1.638 1.00 15.96 C ATOM 1356 C PRO B 46 -30.515 10.302 -2.558 1.00 21.39 C ATOM 1357 O PRO B 46 -30.928 11.378 -2.118 1.00 16.25 O ATOM 1358 CB PRO B 46 -31.143 8.448 -0.971 1.00 19.56 C ATOM 1359 CG PRO B 46 -31.370 9.205 0.319 1.00 22.68 C ATOM 1360 CD PRO B 46 -29.985 9.623 0.774 1.00 23.68 C ATOM 1361 N GLN B 47 -30.510 9.993 -3.855 1.00 14.44 N ATOM 1362 CA GLN B 47 -30.904 10.917 -4.907 1.00 18.35 C ATOM 1363 C GLN B 47 -32.202 10.516 -5.589 1.00 12.03 C ATOM 1364 O GLN B 47 -32.636 11.196 -6.523 1.00 22.02 O ATOM 1365 CB GLN B 47 -29.779 11.019 -5.935 1.00 16.33 C ATOM 1366 CG GLN B 47 -28.471 11.495 -5.319 1.00 18.36 C ATOM 1367 CD GLN B 47 -28.572 12.904 -4.807 1.00 17.00 C ATOM 1368 OE1 GLN B 47 -28.649 13.853 -5.586 1.00 16.22 O ATOM 1369 NE2 GLN B 47 -28.579 13.059 -3.489 1.00 25.85 N ATOM 1370 HE22 GLN B 47 -28.512 12.228 -2.867 1.00 0.00 H ATOM 1371 HE21 GLN B 47 -28.652 14.011 -3.078 1.00 0.00 H ATOM 1372 H GLN B 47 -30.207 9.037 -4.130 1.00 0.00 H ATOM 1373 N ALA B 48 -32.818 9.434 -5.142 1.00 14.65 N ATOM 1374 CA ALA B 48 -34.081 8.892 -5.605 1.00 16.25 C ATOM 1375 C ALA B 48 -34.779 8.270 -4.402 1.00 16.01 C ATOM 1376 O ALA B 48 -34.137 8.065 -3.365 1.00 23.05 O ATOM 1377 CB ALA B 48 -33.858 7.854 -6.714 1.00 15.51 C ATOM 1378 H ALA B 48 -32.345 8.915 -4.375 1.00 0.00 H ATOM 1379 N PRO B 49 -36.084 7.980 -4.485 1.00 18.29 N ATOM 1380 CA PRO B 49 -36.752 7.298 -3.361 1.00 16.72 C ATOM 1381 C PRO B 49 -36.059 6.011 -2.938 1.00 20.25 C ATOM 1382 O PRO B 49 -36.007 5.694 -1.745 1.00 23.46 O ATOM 1383 CB PRO B 49 -38.161 7.041 -3.908 1.00 19.64 C ATOM 1384 CG PRO B 49 -38.391 8.128 -4.895 1.00 16.30 C ATOM 1385 CD PRO B 49 -37.045 8.450 -5.506 1.00 17.44 C ATOM 1386 N THR B 50 -35.513 5.266 -3.891 1.00 15.89 N ATOM 1387 CA THR B 50 -34.650 4.123 -3.621 1.00 13.79 C ATOM 1388 C THR B 50 -33.308 4.381 -4.290 1.00 14.94 C ATOM 1389 O THR B 50 -33.253 4.595 -5.503 1.00 18.25 O ATOM 1390 CB THR B 50 -35.272 2.836 -4.163 1.00 23.39 C ATOM 1391 OG1 THR B 50 -36.529 2.610 -3.520 1.00 20.43 O ATOM 1392 CG2 THR B 50 -34.355 1.651 -3.934 1.00 21.28 C ATOM 1393 HG1 THR B 50 -37.133 3.373 -3.702 1.00 0.00 H ATOM 1394 H THR B 50 -35.711 5.511 -4.882 1.00 0.00 H ATOM 1395 N HIS B 51 -32.238 4.382 -3.507 1.00 10.17 N ATOM 1396 CA HIS B 51 -30.896 4.628 -4.030 1.00 11.82 C ATOM 1397 C HIS B 51 -29.941 3.758 -3.232 1.00 13.82 C ATOM 1398 O HIS B 51 -29.688 4.039 -2.060 1.00 10.08 O ATOM 1399 CB HIS B 51 -30.515 6.103 -3.913 1.00 11.82 C ATOM 1400 CG HIS B 51 -29.150 6.418 -4.439 1.00 6.83 C ATOM 1401 ND1 HIS B 51 -28.659 7.704 -4.498 1.00 11.19 N ATOM 1402 CD2 HIS B 51 -28.191 5.620 -4.966 1.00 8.54 C ATOM 1403 CE1 HIS B 51 -27.438 7.679 -5.000 1.00 14.77 C ATOM 1404 NE2 HIS B 51 -27.128 6.427 -5.286 1.00 9.29 N ATOM 1405 H HIS B 51 -32.358 4.202 -2.490 1.00 0.00 H ATOM 1406 N PHE B 52 -29.414 2.701 -3.841 1.00 10.36 N ATOM 1407 CA PHE B 52 -28.471 1.870 -3.119 1.00 11.23 C ATOM 1408 C PHE B 52 -27.207 1.693 -3.940 1.00 15.13 C ATOM 1409 O PHE B 52 -27.141 2.080 -5.109 1.00 12.22 O ATOM 1410 CB PHE B 52 -29.090 0.515 -2.730 1.00 8.41 C ATOM 1411 CG PHE B 52 -29.545 -0.346 -3.889 1.00 4.50 C ATOM 1412 CD1 PHE B 52 -28.750 -1.389 -4.337 1.00 12.97 C ATOM 1413 CD2 PHE B 52 -30.816 -0.206 -4.425 1.00 11.03 C ATOM 1414 CE1 PHE B 52 -29.178 -2.229 -5.381 1.00 18.36 C ATOM 1415 CE2 PHE B 52 -31.252 -1.044 -5.463 1.00 15.76 C ATOM 1416 CZ PHE B 52 -30.431 -2.054 -5.931 1.00 11.73 C ATOM 1417 H PHE B 52 -29.674 2.473 -4.822 1.00 0.00 H ATOM 1418 N LEU B 53 -26.198 1.108 -3.298 1.00 13.74 N ATOM 1419 CA LEU B 53 -24.917 0.804 -3.921 1.00 19.00 C ATOM 1420 C LEU B 53 -24.647 -0.689 -3.857 1.00 8.72 C ATOM 1421 O LEU B 53 -24.996 -1.348 -2.876 1.00 10.21 O ATOM 1422 CB LEU B 53 -23.766 1.541 -3.231 1.00 12.31 C ATOM 1423 CG LEU B 53 -23.914 3.061 -3.160 1.00 17.85 C ATOM 1424 CD1 LEU B 53 -22.838 3.648 -2.265 1.00 17.01 C ATOM 1425 CD2 LEU B 53 -23.819 3.652 -4.551 1.00 21.23 C ATOM 1426 H LEU B 53 -26.332 0.855 -2.298 1.00 0.00 H ATOM 1427 N VAL B 54 -24.007 -1.209 -4.899 1.00 9.51 N ATOM 1428 CA VAL B 54 -23.457 -2.564 -4.913 1.00 10.64 C ATOM 1429 C VAL B 54 -21.949 -2.427 -5.061 1.00 16.60 C ATOM 1430 O VAL B 54 -21.469 -1.851 -6.047 1.00 16.41 O ATOM 1431 CB VAL B 54 -24.040 -3.437 -6.044 1.00 10.36 C ATOM 1432 CG1 VAL B 54 -23.581 -4.882 -5.870 1.00 9.09 C ATOM 1433 CG2 VAL B 54 -25.553 -3.373 -6.058 1.00 13.77 C ATOM 1434 H VAL B 54 -23.891 -0.621 -5.749 1.00 0.00 H ATOM 1435 N ILE B 55 -21.203 -2.927 -4.079 1.00 7.89 N ATOM 1436 CA ILE B 55 -19.745 -2.799 -4.108 1.00 10.62 C ATOM 1437 C ILE B 55 -19.077 -4.173 -3.989 1.00 15.88 C ATOM 1438 O ILE B 55 -19.574 -5.051 -3.270 1.00 9.75 O ATOM 1439 CB ILE B 55 -19.259 -1.825 -3.022 1.00 22.14 C ATOM 1440 CG1 ILE B 55 -19.248 -2.478 -1.641 1.00 11.08 C ATOM 1441 CG2 ILE B 55 -20.165 -0.605 -2.958 1.00 16.15 C ATOM 1442 CD1 ILE B 55 -18.728 -1.563 -0.550 1.00 16.04 C ATOM 1443 H ILE B 55 -21.661 -3.414 -3.282 1.00 0.00 H ATOM 1444 N PRO B 56 -17.965 -4.409 -4.685 1.00 14.72 N ATOM 1445 CA PRO B 56 -17.215 -5.654 -4.496 1.00 14.98 C ATOM 1446 C PRO B 56 -16.402 -5.612 -3.208 1.00 11.63 C ATOM 1447 O PRO B 56 -16.032 -4.548 -2.708 1.00 14.55 O ATOM 1448 CB PRO B 56 -16.294 -5.683 -5.724 1.00 7.18 C ATOM 1449 CG PRO B 56 -15.952 -4.196 -5.894 1.00 13.79 C ATOM 1450 CD PRO B 56 -17.261 -3.482 -5.594 1.00 9.39 C ATOM 1451 N LYS B 57 -16.136 -6.798 -2.650 1.00 11.20 N ATOM 1452 CA LYS B 57 -15.277 -6.828 -1.475 1.00 12.79 C ATOM 1453 C LYS B 57 -13.810 -6.638 -1.843 1.00 18.12 C ATOM 1454 O LYS B 57 -13.030 -6.144 -1.022 1.00 17.76 O ATOM 1455 CB LYS B 57 -15.501 -8.124 -0.697 1.00 21.07 C ATOM 1456 CG LYS B 57 -16.860 -8.127 -0.035 1.00 12.40 C ATOM 1457 CD LYS B 57 -17.129 -9.335 0.856 1.00 13.41 C ATOM 1458 CE LYS B 57 -18.477 -9.133 1.522 1.00 13.55 C ATOM 1459 NZ LYS B 57 -18.820 -10.163 2.504 1.00 21.08 N ATOM 1460 HZ1 LYS B 57 -18.846 -11.091 2.036 1.00 0.00 H ATOM 1461 HZ2 LYS B 57 -18.104 -10.173 3.258 1.00 0.00 H ATOM 1462 HZ3 LYS B 57 -19.753 -9.954 2.913 1.00 0.00 H ATOM 1463 H LYS B 57 -16.532 -7.675 -3.045 1.00 0.00 H ATOM 1464 N LYS B 58 -13.425 -7.001 -3.065 1.00 17.17 N ATOM 1465 CA LYS B 58 -12.086 -6.722 -3.563 1.00 14.04 C ATOM 1466 C LYS B 58 -11.916 -5.220 -3.743 1.00 19.41 C ATOM 1467 O LYS B 58 -12.816 -4.544 -4.241 1.00 14.59 O ATOM 1468 CB LYS B 58 -11.870 -7.455 -4.892 1.00 12.08 C ATOM 1469 CG LYS B 58 -10.510 -7.285 -5.528 1.00 23.13 C ATOM 1470 CD LYS B 58 -10.323 -8.296 -6.651 1.00 21.60 C ATOM 1471 CE LYS B 58 -9.078 -8.015 -7.482 1.00 28.52 C ATOM 1472 NZ LYS B 58 -9.166 -8.692 -8.812 1.00 21.41 N ATOM 1473 HZ1 LYS B 58 -9.252 -9.719 -8.672 1.00 0.00 H ATOM 1474 HZ2 LYS B 58 -9.999 -8.339 -9.325 1.00 0.00 H ATOM 1475 HZ3 LYS B 58 -8.307 -8.487 -9.362 1.00 0.00 H ATOM 1476 H LYS B 58 -14.100 -7.498 -3.681 1.00 0.00 H ATOM 1477 N HIS B 59 -10.775 -4.688 -3.304 1.00 13.58 N ATOM 1478 CA HIS B 59 -10.541 -3.246 -3.396 1.00 12.39 C ATOM 1479 C HIS B 59 -10.028 -2.917 -4.790 1.00 17.65 C ATOM 1480 O HIS B 59 -8.827 -2.857 -5.045 1.00 25.34 O ATOM 1481 CB HIS B 59 -9.571 -2.769 -2.322 1.00 32.01 C ATOM 1482 CG HIS B 59 -9.245 -1.310 -2.421 1.00 51.37 C ATOM 1483 ND1 HIS B 59 -10.216 -0.332 -2.422 1.00 66.42 N ATOM 1484 CD2 HIS B 59 -8.060 -0.664 -2.538 1.00 57.18 C ATOM 1485 CE1 HIS B 59 -9.644 0.855 -2.530 1.00 50.16 C ATOM 1486 NE2 HIS B 59 -8.336 0.681 -2.600 1.00 51.42 N ATOM 1487 H HIS B 59 -10.044 -5.303 -2.892 1.00 0.00 H ATOM 1488 N ILE B 60 -10.962 -2.726 -5.708 1.00 14.35 N ATOM 1489 CA ILE B 60 -10.690 -2.088 -6.987 1.00 15.74 C ATOM 1490 C ILE B 60 -10.986 -0.612 -6.794 1.00 18.94 C ATOM 1491 O ILE B 60 -12.120 -0.247 -6.469 1.00 16.43 O ATOM 1492 CB ILE B 60 -11.566 -2.674 -8.099 1.00 17.36 C ATOM 1493 CG1 ILE B 60 -11.509 -4.199 -8.095 1.00 18.06 C ATOM 1494 CG2 ILE B 60 -11.150 -2.128 -9.441 1.00 13.78 C ATOM 1495 CD1 ILE B 60 -12.257 -4.813 -9.244 1.00 17.59 C ATOM 1496 H ILE B 60 -11.931 -3.045 -5.507 1.00 0.00 H ATOM 1497 N SER B 61 -9.979 0.238 -6.995 1.00 17.70 N ATOM 1498 CA SER B 61 -10.155 1.648 -6.654 1.00 18.34 C ATOM 1499 C SER B 61 -11.116 2.347 -7.607 1.00 14.00 C ATOM 1500 O SER B 61 -11.825 3.281 -7.200 1.00 14.34 O ATOM 1501 CB SER B 61 -8.804 2.360 -6.642 1.00 24.27 C ATOM 1502 OG SER B 61 -8.224 2.402 -7.938 1.00 28.75 O ATOM 1503 HG SER B 61 -7.352 2.869 -7.893 1.00 0.00 H ATOM 1504 H SER B 61 -9.078 -0.099 -7.390 1.00 0.00 H ATOM 1505 N GLN B 62 -11.151 1.922 -8.867 1.00 11.56 N ATOM 1506 CA GLN B 62 -11.907 2.624 -9.891 1.00 10.42 C ATOM 1507 C GLN B 62 -12.022 1.719 -11.100 1.00 10.17 C ATOM 1508 O GLN B 62 -11.138 0.899 -11.352 1.00 15.70 O ATOM 1509 CB GLN B 62 -11.223 3.929 -10.272 1.00 6.57 C ATOM 1510 CG GLN B 62 -9.770 3.782 -10.679 1.00 19.25 C ATOM 1511 CD GLN B 62 -8.981 5.068 -10.487 1.00 24.56 C ATOM 1512 OE1 GLN B 62 -8.031 5.114 -9.703 1.00 27.71 O ATOM 1513 NE2 GLN B 62 -9.372 6.119 -11.202 1.00 11.54 N ATOM 1514 HE22 GLN B 62 -10.180 6.034 -11.852 1.00 0.00 H ATOM 1515 HE21 GLN B 62 -8.870 7.025 -11.111 1.00 0.00 H ATOM 1516 H GLN B 62 -10.623 1.064 -9.126 1.00 0.00 H ATOM 1517 N ILE B 63 -13.118 1.886 -11.845 1.00 11.49 N ATOM 1518 CA ILE B 63 -13.378 1.018 -12.990 1.00 12.91 C ATOM 1519 C ILE B 63 -12.219 1.045 -13.985 1.00 14.56 C ATOM 1520 O ILE B 63 -11.889 0.017 -14.583 1.00 15.10 O ATOM 1521 CB ILE B 63 -14.716 1.398 -13.660 1.00 13.66 C ATOM 1522 CG1 ILE B 63 -15.139 0.313 -14.644 1.00 12.20 C ATOM 1523 CG2 ILE B 63 -14.629 2.736 -14.380 1.00 14.75 C ATOM 1524 CD1 ILE B 63 -15.193 -1.047 -14.001 1.00 6.91 C ATOM 1525 H ILE B 63 -13.792 2.641 -11.607 1.00 0.00 H ATOM 1526 N SER B 64 -11.554 2.193 -14.151 1.00 10.78 N ATOM 1527 CA SER B 64 -10.510 2.284 -15.169 1.00 8.50 C ATOM 1528 C SER B 64 -9.321 1.372 -14.889 1.00 15.00 C ATOM 1529 O SER B 64 -8.546 1.106 -15.809 1.00 21.57 O ATOM 1530 CB SER B 64 -10.012 3.718 -15.329 1.00 8.82 C ATOM 1531 OG SER B 64 -9.390 4.168 -14.126 1.00 15.42 O ATOM 1532 HG SER B 64 -10.045 4.135 -13.385 1.00 0.00 H ATOM 1533 H SER B 64 -11.779 3.017 -13.558 1.00 0.00 H ATOM 1534 N VAL B 65 -9.153 0.881 -13.656 1.00 16.28 N ATOM 1535 CA VAL B 65 -8.058 -0.035 -13.350 1.00 16.73 C ATOM 1536 C VAL B 65 -8.521 -1.477 -13.205 1.00 23.58 C ATOM 1537 O VAL B 65 -7.683 -2.359 -12.962 1.00 17.08 O ATOM 1538 CB VAL B 65 -7.273 0.403 -12.098 1.00 16.92 C ATOM 1539 CG1 VAL B 65 -6.857 1.862 -12.201 1.00 22.33 C ATOM 1540 CG2 VAL B 65 -8.070 0.137 -10.824 1.00 20.07 C ATOM 1541 H VAL B 65 -9.814 1.157 -12.902 1.00 0.00 H ATOM 1542 N ALA B 66 -9.815 -1.753 -13.360 1.00 19.68 N ATOM 1543 CA ALA B 66 -10.294 -3.130 -13.330 1.00 17.91 C ATOM 1544 C ALA B 66 -9.581 -3.965 -14.388 1.00 27.22 C ATOM 1545 O ALA B 66 -9.328 -3.502 -15.503 1.00 19.70 O ATOM 1546 CB ALA B 66 -11.807 -3.179 -13.559 1.00 16.77 C ATOM 1547 H ALA B 66 -10.492 -0.977 -13.504 1.00 0.00 H ATOM 1548 N GLU B 67 -9.244 -5.197 -14.024 1.00 29.16 N ATOM 1549 CA GLU B 67 -8.565 -6.116 -14.922 1.00 34.03 C ATOM 1550 C GLU B 67 -9.580 -6.957 -15.694 1.00 36.03 C ATOM 1551 O GLU B 67 -10.781 -6.949 -15.415 1.00 26.52 O ATOM 1552 CB GLU B 67 -7.615 -7.033 -14.148 1.00 40.86 C ATOM 1553 CG GLU B 67 -6.661 -6.337 -13.186 1.00 45.31 C ATOM 1554 CD GLU B 67 -5.945 -7.324 -12.269 1.00 37.48 C ATOM 1555 OE1 GLU B 67 -5.580 -8.424 -12.740 1.00 53.66 O ATOM 1556 OE2 GLU B 67 -5.751 -7.002 -11.079 1.00 42.84 O ATOM 1557 H GLU B 67 -9.474 -5.516 -13.061 1.00 0.00 H ATOM 1558 N ASP B 68 -9.072 -7.709 -16.673 1.00 37.81 N ATOM 1559 CA ASP B 68 -9.938 -8.585 -17.452 1.00 28.59 C ATOM 1560 C ASP B 68 -10.517 -9.713 -16.610 1.00 21.22 C ATOM 1561 O ASP B 68 -11.654 -10.137 -16.848 1.00 26.19 O ATOM 1562 CB ASP B 68 -9.177 -9.172 -18.642 1.00 38.66 C ATOM 1563 CG ASP B 68 -8.715 -8.114 -19.614 1.00 40.96 C ATOM 1564 OD1 ASP B 68 -8.639 -6.934 -19.216 1.00 59.28 O ATOM 1565 OD2 ASP B 68 -8.428 -8.466 -20.777 1.00 49.89 O ATOM 1566 H ASP B 68 -8.054 -7.670 -16.881 1.00 0.00 H ATOM 1567 N ASP B 69 -9.767 -10.218 -15.630 1.00 21.27 N ATOM 1568 CA ASP B 69 -10.287 -11.280 -14.778 1.00 24.29 C ATOM 1569 C ASP B 69 -11.239 -10.758 -13.711 1.00 26.88 C ATOM 1570 O ASP B 69 -11.638 -11.521 -12.823 1.00 21.75 O ATOM 1571 CB ASP B 69 -9.137 -12.061 -14.136 1.00 33.99 C ATOM 1572 CG ASP B 69 -8.137 -11.166 -13.437 1.00 25.60 C ATOM 1573 OD1 ASP B 69 -8.391 -9.952 -13.336 1.00 32.69 O ATOM 1574 OD2 ASP B 69 -7.089 -11.680 -12.992 1.00 46.26 O ATOM 1575 H ASP B 69 -8.806 -9.852 -15.473 1.00 0.00 H ATOM 1576 N ASP B 70 -11.594 -9.475 -13.773 1.00 31.93 N ATOM 1577 CA ASP B 70 -12.654 -8.903 -12.956 1.00 16.51 C ATOM 1578 C ASP B 70 -13.996 -8.862 -13.679 1.00 18.37 C ATOM 1579 O ASP B 70 -14.971 -8.381 -13.095 1.00 17.47 O ATOM 1580 CB ASP B 70 -12.294 -7.476 -12.520 1.00 13.71 C ATOM 1581 CG ASP B 70 -11.059 -7.416 -11.636 1.00 32.02 C ATOM 1582 OD1 ASP B 70 -10.911 -8.271 -10.735 1.00 21.67 O ATOM 1583 OD2 ASP B 70 -10.235 -6.495 -11.842 1.00 31.27 O ATOM 1584 H ASP B 70 -11.090 -8.853 -14.437 1.00 0.00 H ATOM 1585 N GLU B 71 -14.069 -9.353 -14.921 1.00 13.84 N ATOM 1586 CA GLU B 71 -15.302 -9.246 -15.694 1.00 14.40 C ATOM 1587 C GLU B 71 -16.468 -9.932 -14.993 1.00 20.31 C ATOM 1588 O GLU B 71 -17.562 -9.367 -14.897 1.00 16.28 O ATOM 1589 CB GLU B 71 -15.098 -9.831 -17.088 1.00 21.86 C ATOM 1590 CG GLU B 71 -14.794 -8.781 -18.123 1.00 21.00 C ATOM 1591 CD GLU B 71 -14.373 -9.362 -19.447 1.00 14.76 C ATOM 1592 OE1 GLU B 71 -14.640 -10.561 -19.687 1.00 24.18 O ATOM 1593 OE2 GLU B 71 -13.780 -8.612 -20.249 1.00 13.64 O ATOM 1594 H GLU B 71 -13.238 -9.816 -15.340 1.00 0.00 H ATOM 1595 N SER B 72 -16.259 -11.157 -14.501 1.00 16.57 N ATOM 1596 CA SER B 72 -17.351 -11.864 -13.839 1.00 20.33 C ATOM 1597 C SER B 72 -17.779 -11.145 -12.567 1.00 17.05 C ATOM 1598 O SER B 72 -18.978 -11.051 -12.276 1.00 21.53 O ATOM 1599 CB SER B 72 -16.949 -13.306 -13.532 1.00 15.83 C ATOM 1600 OG SER B 72 -15.825 -13.358 -12.678 1.00 19.02 O ATOM 1601 HG SER B 72 -15.060 -12.904 -13.113 1.00 0.00 H ATOM 1602 H SER B 72 -15.324 -11.604 -14.589 1.00 0.00 H ATOM 1603 N LEU B 73 -16.814 -10.619 -11.804 1.00 16.67 N ATOM 1604 CA LEU B 73 -17.150 -9.885 -10.582 1.00 12.22 C ATOM 1605 C LEU B 73 -17.948 -8.621 -10.886 1.00 13.65 C ATOM 1606 O LEU B 73 -18.943 -8.327 -10.212 1.00 14.17 O ATOM 1607 CB LEU B 73 -15.869 -9.540 -9.828 1.00 12.67 C ATOM 1608 CG LEU B 73 -16.030 -8.743 -8.529 1.00 14.69 C ATOM 1609 CD1 LEU B 73 -16.949 -9.469 -7.520 1.00 13.32 C ATOM 1610 CD2 LEU B 73 -14.669 -8.438 -7.914 1.00 18.87 C ATOM 1611 H LEU B 73 -15.818 -10.732 -12.081 1.00 0.00 H ATOM 1612 N LEU B 74 -17.532 -7.855 -11.896 1.00 8.46 N ATOM 1613 CA LEU B 74 -18.279 -6.648 -12.239 1.00 8.71 C ATOM 1614 C LEU B 74 -19.678 -7.004 -12.721 1.00 13.78 C ATOM 1615 O LEU B 74 -20.657 -6.321 -12.396 1.00 9.70 O ATOM 1616 CB LEU B 74 -17.515 -5.857 -13.310 1.00 12.69 C ATOM 1617 CG LEU B 74 -16.184 -5.224 -12.894 1.00 20.90 C ATOM 1618 CD1 LEU B 74 -15.553 -4.562 -14.095 1.00 24.45 C ATOM 1619 CD2 LEU B 74 -16.349 -4.200 -11.744 1.00 11.66 C ATOM 1620 H LEU B 74 -16.682 -8.116 -12.435 1.00 0.00 H ATOM 1621 N GLY B 75 -19.793 -8.084 -13.492 1.00 10.26 N ATOM 1622 CA GLY B 75 -21.103 -8.526 -13.923 1.00 19.48 C ATOM 1623 C GLY B 75 -21.949 -8.999 -12.768 1.00 17.99 C ATOM 1624 O GLY B 75 -23.166 -8.797 -12.764 1.00 14.62 O ATOM 1625 H GLY B 75 -18.944 -8.609 -13.784 1.00 0.00 H ATOM 1626 N HIS B 76 -21.311 -9.608 -11.763 1.00 14.24 N ATOM 1627 CA HIS B 76 -22.013 -10.029 -10.554 1.00 13.27 C ATOM 1628 C HIS B 76 -22.604 -8.833 -9.813 1.00 9.43 C ATOM 1629 O HIS B 76 -23.710 -8.917 -9.260 1.00 10.80 O ATOM 1630 CB HIS B 76 -21.051 -10.804 -9.651 1.00 15.54 C ATOM 1631 CG HIS B 76 -21.717 -11.455 -8.480 1.00 13.67 C ATOM 1632 ND1 HIS B 76 -22.572 -12.529 -8.613 1.00 17.28 N ATOM 1633 CD2 HIS B 76 -21.681 -11.162 -7.158 1.00 10.35 C ATOM 1634 CE1 HIS B 76 -23.018 -12.885 -7.419 1.00 18.61 C ATOM 1635 NE2 HIS B 76 -22.501 -12.065 -6.522 1.00 10.24 N ATOM 1636 H HIS B 76 -20.290 -9.786 -11.845 1.00 0.00 H ATOM 1637 N LEU B 77 -21.896 -7.704 -9.808 1.00 9.16 N ATOM 1638 CA LEU B 77 -22.462 -6.502 -9.198 1.00 7.42 C ATOM 1639 C LEU B 77 -23.765 -6.098 -9.883 1.00 12.53 C ATOM 1640 O LEU B 77 -24.723 -5.692 -9.220 1.00 16.32 O ATOM 1641 CB LEU B 77 -21.461 -5.350 -9.261 1.00 14.07 C ATOM 1642 CG LEU B 77 -20.090 -5.614 -8.653 1.00 9.48 C ATOM 1643 CD1 LEU B 77 -19.214 -4.412 -8.866 1.00 12.14 C ATOM 1644 CD2 LEU B 77 -20.237 -5.976 -7.159 1.00 11.93 C ATOM 1645 H LEU B 77 -20.948 -7.678 -10.235 1.00 0.00 H ATOM 1646 N MET B 78 -23.822 -6.200 -11.211 1.00 14.62 N ATOM 1647 CA MET B 78 -25.029 -5.778 -11.914 1.00 10.51 C ATOM 1648 C MET B 78 -26.176 -6.765 -11.733 1.00 12.63 C ATOM 1649 O MET B 78 -27.338 -6.348 -11.669 1.00 13.13 O ATOM 1650 CB MET B 78 -24.732 -5.573 -13.400 1.00 12.05 C ATOM 1651 CG MET B 78 -24.813 -4.117 -13.835 1.00 15.14 C ATOM 1652 SD MET B 78 -24.678 -3.900 -15.618 1.00 18.64 S ATOM 1653 CE MET B 78 -23.145 -4.759 -15.938 1.00 19.34 C ATOM 1654 H MET B 78 -23.012 -6.578 -11.742 1.00 0.00 H ATOM 1655 N ILE B 79 -25.878 -8.062 -11.643 1.00 8.96 N ATOM 1656 CA ILE B 79 -26.932 -9.046 -11.425 1.00 14.97 C ATOM 1657 C ILE B 79 -27.457 -8.939 -9.999 1.00 13.02 C ATOM 1658 O ILE B 79 -28.670 -8.954 -9.760 1.00 12.60 O ATOM 1659 CB ILE B 79 -26.421 -10.470 -11.728 1.00 13.70 C ATOM 1660 CG1 ILE B 79 -26.090 -10.626 -13.210 1.00 12.93 C ATOM 1661 CG2 ILE B 79 -27.469 -11.506 -11.350 1.00 21.29 C ATOM 1662 CD1 ILE B 79 -27.282 -10.415 -14.092 1.00 16.32 C ATOM 1663 H ILE B 79 -24.889 -8.373 -11.729 1.00 0.00 H ATOM 1664 N VAL B 80 -26.556 -8.807 -9.031 1.00 12.65 N ATOM 1665 CA VAL B 80 -27.006 -8.497 -7.677 1.00 11.15 C ATOM 1666 C VAL B 80 -27.831 -7.215 -7.673 1.00 13.80 C ATOM 1667 O VAL B 80 -28.901 -7.150 -7.055 1.00 16.73 O ATOM 1668 CB VAL B 80 -25.806 -8.415 -6.716 1.00 20.78 C ATOM 1669 CG1 VAL B 80 -26.271 -7.963 -5.354 1.00 11.45 C ATOM 1670 CG2 VAL B 80 -25.123 -9.768 -6.613 1.00 13.17 C ATOM 1671 H VAL B 80 -25.543 -8.923 -9.235 1.00 0.00 H ATOM 1672 N GLY B 81 -27.371 -6.188 -8.395 1.00 13.09 N ATOM 1673 CA GLY B 81 -28.091 -4.927 -8.391 1.00 9.57 C ATOM 1674 C GLY B 81 -29.498 -5.058 -8.931 1.00 19.43 C ATOM 1675 O GLY B 81 -30.445 -4.545 -8.341 1.00 16.75 O ATOM 1676 H GLY B 81 -26.502 -6.292 -8.957 1.00 0.00 H ATOM 1677 N LYS B 82 -29.662 -5.775 -10.048 1.00 10.34 N ATOM 1678 CA LYS B 82 -31.007 -5.907 -10.596 1.00 10.24 C ATOM 1679 C LYS B 82 -31.873 -6.832 -9.748 1.00 15.46 C ATOM 1680 O LYS B 82 -33.100 -6.686 -9.736 1.00 16.82 O ATOM 1681 CB LYS B 82 -30.944 -6.383 -12.053 1.00 18.41 C ATOM 1682 CG LYS B 82 -30.591 -7.844 -12.242 1.00 18.99 C ATOM 1683 CD LYS B 82 -31.828 -8.680 -12.510 1.00 18.26 C ATOM 1684 CE LYS B 82 -31.436 -10.059 -12.996 1.00 25.14 C ATOM 1685 NZ LYS B 82 -32.546 -11.038 -12.818 1.00 33.21 N ATOM 1686 HZ1 LYS B 82 -32.792 -11.102 -11.810 1.00 0.00 H ATOM 1687 HZ2 LYS B 82 -33.376 -10.722 -13.359 1.00 0.00 H ATOM 1688 HZ3 LYS B 82 -32.242 -11.971 -13.162 1.00 0.00 H ATOM 1689 H LYS B 82 -28.850 -6.227 -10.514 1.00 0.00 H ATOM 1690 N LYS B 83 -31.258 -7.761 -9.012 1.00 12.00 N ATOM 1691 CA LYS B 83 -32.030 -8.609 -8.109 1.00 14.40 C ATOM 1692 C LYS B 83 -32.492 -7.835 -6.885 1.00 15.92 C ATOM 1693 O LYS B 83 -33.639 -7.987 -6.449 1.00 17.98 O ATOM 1694 CB LYS B 83 -31.213 -9.841 -7.727 1.00 16.23 C ATOM 1695 CG LYS B 83 -31.200 -10.863 -8.868 1.00 14.41 C ATOM 1696 CD LYS B 83 -30.393 -12.094 -8.563 1.00 20.52 C ATOM 1697 CE LYS B 83 -30.562 -13.117 -9.665 1.00 31.60 C ATOM 1698 NZ LYS B 83 -29.773 -14.337 -9.369 1.00 30.68 N ATOM 1699 HZ1 LYS B 83 -28.766 -14.087 -9.292 1.00 0.00 H ATOM 1700 HZ2 LYS B 83 -30.099 -14.750 -8.472 1.00 0.00 H ATOM 1701 HZ3 LYS B 83 -29.902 -15.027 -10.137 1.00 0.00 H ATOM 1702 H LYS B 83 -30.227 -7.881 -9.082 1.00 0.00 H ATOM 1703 N CYS B 84 -31.629 -6.978 -6.331 1.00 16.85 N ATOM 1704 CA CYS B 84 -32.052 -6.149 -5.208 1.00 16.25 C ATOM 1705 C CYS B 84 -33.131 -5.163 -5.628 1.00 25.65 C ATOM 1706 O CYS B 84 -34.071 -4.909 -4.868 1.00 19.53 O ATOM 1707 CB CYS B 84 -30.865 -5.399 -4.608 1.00 13.09 C ATOM 1708 SG CYS B 84 -29.591 -6.433 -3.900 1.00 21.48 S ATOM 1709 H CYS B 84 -30.659 -6.902 -6.699 1.00 0.00 H ATOM 1710 N ALA B 85 -33.008 -4.581 -6.826 1.00 13.70 N ATOM 1711 CA ALA B 85 -34.015 -3.628 -7.278 1.00 13.76 C ATOM 1712 C ALA B 85 -35.388 -4.277 -7.363 1.00 21.05 C ATOM 1713 O ALA B 85 -36.398 -3.671 -6.983 1.00 21.90 O ATOM 1714 CB ALA B 85 -33.615 -3.050 -8.637 1.00 11.55 C ATOM 1715 H ALA B 85 -32.195 -4.808 -7.434 1.00 0.00 H ATOM 1716 N ALA B 86 -35.449 -5.499 -7.895 1.00 18.43 N ATOM 1717 CA ALA B 86 -36.705 -6.240 -7.906 1.00 19.76 C ATOM 1718 C ALA B 86 -37.198 -6.476 -6.486 1.00 21.52 C ATOM 1719 O ALA B 86 -38.375 -6.254 -6.178 1.00 22.65 O ATOM 1720 CB ALA B 86 -36.521 -7.569 -8.638 1.00 26.15 C ATOM 1721 H ALA B 86 -34.594 -5.926 -8.305 1.00 0.00 H ATOM 1722 N ASP B 87 -36.297 -6.916 -5.603 1.00 21.84 N ATOM 1723 CA ASP B 87 -36.672 -7.175 -4.219 1.00 17.87 C ATOM 1724 C ASP B 87 -37.143 -5.909 -3.519 1.00 20.96 C ATOM 1725 O ASP B 87 -37.953 -5.982 -2.590 1.00 21.76 O ATOM 1726 CB ASP B 87 -35.491 -7.789 -3.471 1.00 22.56 C ATOM 1727 CG ASP B 87 -35.273 -9.252 -3.825 1.00 25.91 C ATOM 1728 OD1 ASP B 87 -36.254 -9.919 -4.211 1.00 31.49 O ATOM 1729 OD2 ASP B 87 -34.124 -9.733 -3.719 1.00 32.83 O ATOM 1730 H ASP B 87 -35.315 -7.076 -5.907 1.00 0.00 H ATOM 1731 N LEU B 88 -36.660 -4.746 -3.952 1.00 24.94 N ATOM 1732 CA LEU B 88 -37.066 -3.468 -3.388 1.00 15.67 C ATOM 1733 C LEU B 88 -38.251 -2.848 -4.119 1.00 24.35 C ATOM 1734 O LEU B 88 -38.577 -1.685 -3.876 1.00 22.04 O ATOM 1735 CB LEU B 88 -35.885 -2.500 -3.375 1.00 19.38 C ATOM 1736 CG LEU B 88 -34.718 -2.961 -2.485 1.00 19.78 C ATOM 1737 CD1 LEU B 88 -33.524 -2.024 -2.639 1.00 20.04 C ATOM 1738 CD2 LEU B 88 -35.119 -3.102 -1.012 1.00 18.78 C ATOM 1739 H LEU B 88 -35.964 -4.752 -4.725 1.00 0.00 H ATOM 1740 N GLY B 89 -38.898 -3.592 -5.005 1.00 23.21 N ATOM 1741 CA GLY B 89 -40.150 -3.163 -5.587 1.00 23.32 C ATOM 1742 C GLY B 89 -40.050 -2.289 -6.812 1.00 31.62 C ATOM 1743 O GLY B 89 -41.070 -1.732 -7.230 1.00 25.61 O ATOM 1744 H GLY B 89 -38.495 -4.508 -5.289 1.00 0.00 H ATOM 1745 N LEU B 90 -38.866 -2.158 -7.412 1.00 14.36 N ATOM 1746 CA LEU B 90 -38.650 -1.212 -8.505 1.00 26.85 C ATOM 1747 C LEU B 90 -39.143 -1.796 -9.832 1.00 25.31 C ATOM 1748 O LEU B 90 -38.382 -2.024 -10.770 1.00 21.02 O ATOM 1749 CB LEU B 90 -37.177 -0.829 -8.580 1.00 21.32 C ATOM 1750 CG LEU B 90 -36.561 -0.117 -7.371 1.00 14.46 C ATOM 1751 CD1 LEU B 90 -35.175 0.435 -7.716 1.00 15.53 C ATOM 1752 CD2 LEU B 90 -37.466 0.999 -6.868 1.00 21.44 C ATOM 1753 H LEU B 90 -38.071 -2.748 -7.092 1.00 0.00 H ATOM 1754 N ASN B 91 -40.454 -2.025 -9.905 1.00 20.49 N ATOM 1755 CA ASN B 91 -40.998 -2.733 -11.062 1.00 13.65 C ATOM 1756 C ASN B 91 -41.244 -1.812 -12.240 1.00 20.26 C ATOM 1757 O ASN B 91 -41.476 -2.306 -13.347 1.00 25.81 O ATOM 1758 CB ASN B 91 -42.298 -3.460 -10.703 1.00 17.44 C ATOM 1759 CG ASN B 91 -43.398 -2.515 -10.266 1.00 32.38 C ATOM 1760 OD1 ASN B 91 -43.213 -1.703 -9.357 1.00 35.72 O ATOM 1761 ND2 ASN B 91 -44.553 -2.610 -10.919 1.00 48.01 N ATOM 1762 HD22 ASN B 91 -44.664 -3.310 -11.680 1.00 0.00 H ATOM 1763 HD21 ASN B 91 -45.345 -1.984 -10.669 1.00 0.00 H ATOM 1764 H ASN B 91 -41.085 -1.702 -9.144 1.00 0.00 H ATOM 1765 N LYS B 92 -41.195 -0.498 -12.022 1.00 16.19 N ATOM 1766 CA LYS B 92 -41.318 0.480 -13.089 1.00 18.61 C ATOM 1767 C LYS B 92 -39.968 0.882 -13.676 1.00 22.06 C ATOM 1768 O LYS B 92 -39.937 1.670 -14.620 1.00 19.25 O ATOM 1769 CB LYS B 92 -42.052 1.713 -12.574 1.00 19.64 C ATOM 1770 CG LYS B 92 -43.540 1.487 -12.353 1.00 27.74 C ATOM 1771 CD LYS B 92 -44.244 2.794 -12.044 1.00 40.29 C ATOM 1772 CE LYS B 92 -43.746 3.919 -12.938 1.00 44.73 C ATOM 1773 NZ LYS B 92 -44.763 4.993 -13.108 1.00 44.32 N ATOM 1774 HZ1 LYS B 92 -45.620 4.592 -13.539 1.00 0.00 H ATOM 1775 HZ2 LYS B 92 -44.997 5.397 -12.179 1.00 0.00 H ATOM 1776 HZ3 LYS B 92 -44.379 5.738 -13.724 1.00 0.00 H ATOM 1777 H LYS B 92 -41.063 -0.159 -11.048 1.00 0.00 H ATOM 1778 N GLY B 93 -38.863 0.381 -13.133 1.00 20.06 N ATOM 1779 CA GLY B 93 -37.548 0.571 -13.716 1.00 30.20 C ATOM 1780 C GLY B 93 -36.587 1.260 -12.764 1.00 23.75 C ATOM 1781 O GLY B 93 -36.922 1.588 -11.628 1.00 18.34 O ATOM 1782 H GLY B 93 -38.944 -0.170 -12.254 1.00 0.00 H ATOM 1783 N TYR B 94 -35.367 1.483 -13.264 1.00 12.02 N ATOM 1784 CA TYR B 94 -34.290 2.050 -12.456 1.00 9.18 C ATOM 1785 C TYR B 94 -33.103 2.370 -13.359 1.00 12.04 C ATOM 1786 O TYR B 94 -33.052 1.957 -14.523 1.00 13.45 O ATOM 1787 CB TYR B 94 -33.874 1.096 -11.322 1.00 12.54 C ATOM 1788 CG TYR B 94 -33.650 -0.333 -11.763 1.00 11.49 C ATOM 1789 CD1 TYR B 94 -32.423 -0.739 -12.263 1.00 12.29 C ATOM 1790 CD2 TYR B 94 -34.659 -1.280 -11.656 1.00 21.02 C ATOM 1791 CE1 TYR B 94 -32.208 -2.064 -12.657 1.00 18.53 C ATOM 1792 CE2 TYR B 94 -34.458 -2.600 -12.046 1.00 17.33 C ATOM 1793 CZ TYR B 94 -33.233 -2.987 -12.547 1.00 21.00 C ATOM 1794 OH TYR B 94 -33.044 -4.300 -12.932 1.00 21.71 O ATOM 1795 HH TYR B 94 -33.191 -4.895 -12.155 1.00 0.00 H ATOM 1796 H TYR B 94 -35.179 1.245 -14.259 1.00 0.00 H ATOM 1797 N ARG B 95 -32.139 3.099 -12.804 1.00 10.71 N ATOM 1798 CA ARG B 95 -30.914 3.448 -13.512 1.00 13.01 C ATOM 1799 C ARG B 95 -29.707 2.965 -12.717 1.00 9.64 C ATOM 1800 O ARG B 95 -29.641 3.155 -11.498 1.00 15.57 O ATOM 1801 CB ARG B 95 -30.823 4.957 -13.762 1.00 14.48 C ATOM 1802 CG ARG B 95 -29.570 5.397 -14.501 1.00 13.80 C ATOM 1803 CD ARG B 95 -29.682 6.853 -14.953 1.00 18.46 C ATOM 1804 NE ARG B 95 -30.682 6.987 -16.009 1.00 16.71 N ATOM 1805 CZ ARG B 95 -31.240 8.129 -16.396 1.00 15.49 C ATOM 1806 NH1 ARG B 95 -30.902 9.280 -15.817 1.00 11.86 N ATOM 1807 NH2 ARG B 95 -32.144 8.110 -17.371 1.00 11.14 N ATOM 1808 HE ARG B 95 -30.981 6.119 -16.497 1.00 0.00 H ATOM 1809 HH12 ARG B 95 -31.345 10.168 -16.128 1.00 0.00 H ATOM 1810 HH11 ARG B 95 -30.195 9.291 -15.054 1.00 0.00 H ATOM 1811 HH22 ARG B 95 -32.589 8.996 -17.685 1.00 0.00 H ATOM 1812 HH21 ARG B 95 -32.406 7.209 -17.820 1.00 0.00 H ATOM 1813 H ARG B 95 -32.264 3.433 -11.827 1.00 0.00 H ATOM 1814 N MET B 96 -28.764 2.332 -13.410 1.00 9.65 N ATOM 1815 CA MET B 96 -27.503 1.891 -12.834 1.00 12.17 C ATOM 1816 C MET B 96 -26.373 2.798 -13.310 1.00 8.92 C ATOM 1817 O MET B 96 -26.308 3.144 -14.490 1.00 11.52 O ATOM 1818 CB MET B 96 -27.228 0.440 -13.217 1.00 13.23 C ATOM 1819 CG MET B 96 -28.183 -0.543 -12.545 1.00 13.09 C ATOM 1820 SD MET B 96 -27.898 -2.211 -13.180 1.00 19.97 S ATOM 1821 CE MET B 96 -28.659 -3.169 -11.866 1.00 16.02 C ATOM 1822 H MET B 96 -28.938 2.142 -14.418 1.00 0.00 H ATOM 1823 N VAL B 97 -25.488 3.195 -12.391 1.00 11.74 N ATOM 1824 CA VAL B 97 -24.441 4.173 -12.696 1.00 17.22 C ATOM 1825 C VAL B 97 -23.118 3.755 -12.068 1.00 14.94 C ATOM 1826 O VAL B 97 -23.068 3.419 -10.886 1.00 12.43 O ATOM 1827 CB VAL B 97 -24.804 5.584 -12.196 1.00 14.08 C ATOM 1828 CG1 VAL B 97 -23.671 6.565 -12.534 1.00 7.11 C ATOM 1829 CG2 VAL B 97 -26.130 6.029 -12.757 1.00 10.79 C ATOM 1830 H VAL B 97 -25.544 2.798 -11.431 1.00 0.00 H ATOM 1831 N VAL B 98 -22.036 3.824 -12.842 1.00 11.81 N ATOM 1832 CA VAL B 98 -20.673 3.705 -12.322 1.00 9.78 C ATOM 1833 C VAL B 98 -19.928 4.957 -12.752 1.00 15.82 C ATOM 1834 O VAL B 98 -19.867 5.255 -13.948 1.00 10.16 O ATOM 1835 CB VAL B 98 -19.950 2.447 -12.839 1.00 15.36 C ATOM 1836 CG1 VAL B 98 -18.493 2.433 -12.368 1.00 15.12 C ATOM 1837 CG2 VAL B 98 -20.628 1.187 -12.332 1.00 9.28 C ATOM 1838 H VAL B 98 -22.166 3.969 -13.864 1.00 0.00 H ATOM 1839 N ASN B 99 -19.356 5.672 -11.786 1.00 7.73 N ATOM 1840 CA ASN B 99 -18.608 6.900 -12.030 1.00 11.02 C ATOM 1841 C ASN B 99 -17.113 6.622 -11.989 1.00 9.30 C ATOM 1842 O ASN B 99 -16.639 5.848 -11.153 1.00 13.64 O ATOM 1843 CB ASN B 99 -18.940 7.971 -10.980 1.00 7.32 C ATOM 1844 CG ASN B 99 -20.379 8.399 -11.032 1.00 11.74 C ATOM 1845 OD1 ASN B 99 -20.986 8.435 -12.111 1.00 14.64 O ATOM 1846 ND2 ASN B 99 -20.947 8.736 -9.867 1.00 14.63 N ATOM 1847 HD22 ASN B 99 -20.395 8.689 -8.987 1.00 0.00 H ATOM 1848 HD21 ASN B 99 -21.940 9.044 -9.843 1.00 0.00 H ATOM 1849 H ASN B 99 -19.447 5.337 -10.806 1.00 0.00 H ATOM 1850 N GLU B 100 -16.375 7.299 -12.864 1.00 9.24 N ATOM 1851 CA GLU B 100 -14.928 7.200 -12.923 1.00 10.86 C ATOM 1852 C GLU B 100 -14.327 8.594 -12.952 1.00 10.54 C ATOM 1853 O GLU B 100 -14.665 9.398 -13.828 1.00 17.45 O ATOM 1854 CB GLU B 100 -14.476 6.430 -14.164 1.00 10.59 C ATOM 1855 CG GLU B 100 -13.012 6.656 -14.512 1.00 14.23 C ATOM 1856 CD GLU B 100 -12.078 5.953 -13.542 1.00 29.35 C ATOM 1857 OE1 GLU B 100 -12.409 4.829 -13.120 1.00 17.73 O ATOM 1858 OE2 GLU B 100 -11.016 6.518 -13.203 1.00 21.67 O ATOM 1859 H GLU B 100 -16.857 7.928 -13.537 1.00 0.00 H ATOM 1860 N GLY B 101 -13.434 8.874 -12.002 1.00 11.86 N ATOM 1861 CA GLY B 101 -12.614 10.069 -12.066 1.00 12.51 C ATOM 1862 C GLY B 101 -13.400 11.348 -11.805 1.00 17.37 C ATOM 1863 O GLY B 101 -14.588 11.342 -11.480 1.00 14.43 O ATOM 1864 H GLY B 101 -13.323 8.222 -11.199 1.00 0.00 H ATOM 1865 N SER B 102 -12.689 12.466 -11.967 1.00 20.37 N ATOM 1866 CA SER B 102 -13.260 13.773 -11.653 1.00 15.32 C ATOM 1867 C SER B 102 -14.457 14.081 -12.543 1.00 14.88 C ATOM 1868 O SER B 102 -15.528 14.461 -12.055 1.00 15.88 O ATOM 1869 CB SER B 102 -12.190 14.854 -11.803 1.00 13.98 C ATOM 1870 OG SER B 102 -10.964 14.430 -11.237 1.00 10.87 O ATOM 1871 HG SER B 102 -10.656 13.609 -11.697 1.00 0.00 H ATOM 1872 H SER B 102 -11.713 12.405 -12.322 1.00 0.00 H ATOM 1873 N ASP B 103 -14.288 13.925 -13.859 1.00 16.63 N ATOM 1874 CA ASP B 103 -15.374 14.231 -14.793 1.00 11.39 C ATOM 1875 C ASP B 103 -16.582 13.343 -14.568 1.00 13.07 C ATOM 1876 O ASP B 103 -17.723 13.785 -14.731 1.00 10.77 O ATOM 1877 CB ASP B 103 -14.917 14.068 -16.241 1.00 8.83 C ATOM 1878 CG ASP B 103 -14.306 15.316 -16.805 1.00 27.13 C ATOM 1879 OD1 ASP B 103 -14.249 16.323 -16.082 1.00 17.78 O ATOM 1880 OD2 ASP B 103 -13.899 15.283 -17.983 1.00 17.14 O ATOM 1881 H ASP B 103 -13.376 13.583 -14.224 1.00 0.00 H ATOM 1882 N GLY B 104 -16.353 12.075 -14.240 1.00 9.59 N ATOM 1883 CA GLY B 104 -17.480 11.224 -13.953 1.00 9.64 C ATOM 1884 C GLY B 104 -18.090 11.435 -12.592 1.00 11.24 C ATOM 1885 O GLY B 104 -19.141 10.862 -12.300 1.00 14.13 O ATOM 1886 H GLY B 104 -15.382 11.706 -14.192 1.00 0.00 H ATOM 1887 N GLY B 105 -17.475 12.279 -11.768 1.00 8.36 N ATOM 1888 CA GLY B 105 -18.004 12.558 -10.447 1.00 19.60 C ATOM 1889 C GLY B 105 -17.822 11.458 -9.423 1.00 20.18 C ATOM 1890 O GLY B 105 -18.634 11.349 -8.502 1.00 11.90 O ATOM 1891 H GLY B 105 -16.599 12.747 -12.077 1.00 0.00 H ATOM 1892 N GLN B 106 -16.777 10.643 -9.545 1.00 9.25 N ATOM 1893 CA GLN B 106 -16.584 9.543 -8.603 1.00 10.07 C ATOM 1894 C GLN B 106 -16.276 10.104 -7.215 1.00 11.63 C ATOM 1895 O GLN B 106 -15.345 10.905 -7.045 1.00 11.54 O ATOM 1896 CB GLN B 106 -15.468 8.617 -9.080 1.00 15.32 C ATOM 1897 CG GLN B 106 -15.285 7.411 -8.180 1.00 16.92 C ATOM 1898 CD GLN B 106 -14.204 6.468 -8.659 1.00 20.26 C ATOM 1899 OE1 GLN B 106 -13.649 6.633 -9.755 1.00 13.73 O ATOM 1900 NE2 GLN B 106 -13.893 5.468 -7.836 1.00 12.98 N ATOM 1901 HE22 GLN B 106 -14.387 5.371 -6.926 1.00 0.00 H ATOM 1902 HE21 GLN B 106 -13.156 4.784 -8.103 1.00 0.00 H ATOM 1903 H GLN B 106 -16.094 10.790 -10.315 1.00 0.00 H ATOM 1904 N SER B 107 -17.068 9.694 -6.223 1.00 12.90 N ATOM 1905 CA SER B 107 -16.976 10.257 -4.879 1.00 13.25 C ATOM 1906 C SER B 107 -16.146 9.426 -3.910 1.00 26.46 C ATOM 1907 O SER B 107 -15.631 9.983 -2.936 1.00 20.34 O ATOM 1908 CB SER B 107 -18.378 10.450 -4.287 1.00 17.45 C ATOM 1909 OG SER B 107 -19.019 11.586 -4.841 1.00 24.69 O ATOM 1910 HG SER B 107 -19.919 11.684 -4.440 1.00 0.00 H ATOM 1911 H SER B 107 -17.771 8.952 -6.412 1.00 0.00 H ATOM 1912 N VAL B 108 -16.021 8.119 -4.127 1.00 11.83 N ATOM 1913 CA VAL B 108 -15.217 7.256 -3.263 1.00 16.01 C ATOM 1914 C VAL B 108 -14.397 6.357 -4.170 1.00 10.60 C ATOM 1915 O VAL B 108 -14.952 5.751 -5.093 1.00 13.70 O ATOM 1916 CB VAL B 108 -16.072 6.391 -2.313 1.00 17.68 C ATOM 1917 CG1 VAL B 108 -15.191 5.378 -1.578 1.00 12.69 C ATOM 1918 CG2 VAL B 108 -16.852 7.246 -1.329 1.00 15.85 C ATOM 1919 H VAL B 108 -16.513 7.696 -4.940 1.00 0.00 H ATOM 1920 N TYR B 109 -13.091 6.249 -3.906 1.00 12.81 N ATOM 1921 CA TYR B 109 -12.210 5.447 -4.760 1.00 12.45 C ATOM 1922 C TYR B 109 -12.181 3.980 -4.303 1.00 12.70 C ATOM 1923 O TYR B 109 -11.165 3.413 -3.902 1.00 11.58 O ATOM 1924 CB TYR B 109 -10.824 6.083 -4.838 1.00 5.66 C ATOM 1925 CG TYR B 109 -10.862 7.133 -5.929 1.00 11.65 C ATOM 1926 CD1 TYR B 109 -11.397 8.386 -5.682 1.00 25.55 C ATOM 1927 CD2 TYR B 109 -10.459 6.834 -7.228 1.00 22.58 C ATOM 1928 CE1 TYR B 109 -11.483 9.335 -6.675 1.00 31.67 C ATOM 1929 CE2 TYR B 109 -10.542 7.782 -8.231 1.00 20.24 C ATOM 1930 CZ TYR B 109 -11.056 9.031 -7.948 1.00 16.25 C ATOM 1931 OH TYR B 109 -11.144 9.988 -8.943 1.00 22.47 O ATOM 1932 HH TYR B 109 -11.533 10.818 -8.568 1.00 0.00 H ATOM 1933 H TYR B 109 -12.693 6.742 -3.081 1.00 0.00 H ATOM 1934 N HIS B 110 -13.381 3.407 -4.351 1.00 9.32 N ATOM 1935 CA HIS B 110 -13.647 1.974 -4.305 1.00 11.88 C ATOM 1936 C HIS B 110 -14.789 1.794 -5.291 1.00 13.46 C ATOM 1937 O HIS B 110 -15.820 2.451 -5.145 1.00 11.57 O ATOM 1938 CB HIS B 110 -14.037 1.529 -2.881 1.00 12.95 C ATOM 1939 CG HIS B 110 -14.168 0.047 -2.709 1.00 10.71 C ATOM 1940 ND1 HIS B 110 -13.538 -0.638 -1.693 1.00 20.08 N ATOM 1941 CD2 HIS B 110 -14.888 -0.875 -3.393 1.00 30.18 C ATOM 1942 CE1 HIS B 110 -13.839 -1.922 -1.776 1.00 34.46 C ATOM 1943 NE2 HIS B 110 -14.654 -2.096 -2.801 1.00 12.38 N ATOM 1944 H HIS B 110 -14.204 4.038 -4.428 1.00 0.00 H ATOM 1945 N VAL B 111 -14.608 0.908 -6.279 1.00 12.95 N ATOM 1946 CA VAL B 111 -15.602 0.734 -7.336 1.00 21.79 C ATOM 1947 C VAL B 111 -16.975 0.486 -6.736 1.00 16.43 C ATOM 1948 O VAL B 111 -17.126 -0.284 -5.781 1.00 10.41 O ATOM 1949 CB VAL B 111 -15.192 -0.424 -8.264 1.00 15.09 C ATOM 1950 CG1 VAL B 111 -16.365 -0.872 -9.141 1.00 17.42 C ATOM 1951 CG2 VAL B 111 -14.030 -0.014 -9.110 1.00 9.49 C ATOM 1952 H VAL B 111 -13.742 0.332 -6.294 1.00 0.00 H ATOM 1953 N HIS B 112 -17.990 1.155 -7.279 1.00 15.54 N ATOM 1954 CA HIS B 112 -19.326 0.904 -6.773 1.00 11.46 C ATOM 1955 C HIS B 112 -20.359 1.188 -7.847 1.00 19.82 C ATOM 1956 O HIS B 112 -20.200 2.095 -8.667 1.00 14.14 O ATOM 1957 CB HIS B 112 -19.632 1.714 -5.503 1.00 10.65 C ATOM 1958 CG HIS B 112 -19.377 3.189 -5.612 1.00 23.84 C ATOM 1959 ND1 HIS B 112 -18.110 3.731 -5.657 1.00 22.38 N ATOM 1960 CD2 HIS B 112 -20.234 4.239 -5.624 1.00 20.35 C ATOM 1961 CE1 HIS B 112 -18.198 5.049 -5.722 1.00 22.74 C ATOM 1962 NE2 HIS B 112 -19.476 5.382 -5.706 1.00 16.44 N ATOM 1963 H HIS B 112 -17.829 1.839 -8.045 1.00 0.00 H ATOM 1964 N LEU B 113 -21.420 0.392 -7.834 1.00 10.58 N ATOM 1965 CA LEU B 113 -22.531 0.553 -8.767 1.00 11.95 C ATOM 1966 C LEU B 113 -23.690 1.231 -8.046 1.00 9.57 C ATOM 1967 O LEU B 113 -24.148 0.736 -7.009 1.00 15.26 O ATOM 1968 CB LEU B 113 -22.961 -0.809 -9.307 1.00 11.73 C ATOM 1969 CG LEU B 113 -24.202 -0.814 -10.185 1.00 14.18 C ATOM 1970 CD1 LEU B 113 -23.902 -0.096 -11.487 1.00 25.32 C ATOM 1971 CD2 LEU B 113 -24.656 -2.240 -10.448 1.00 24.79 C ATOM 1972 H LEU B 113 -21.462 -0.375 -7.133 1.00 0.00 H ATOM 1973 N HIS B 114 -24.125 2.380 -8.559 1.00 10.58 N ATOM 1974 CA HIS B 114 -25.305 3.047 -8.028 1.00 10.87 C ATOM 1975 C HIS B 114 -26.534 2.430 -8.655 1.00 15.17 C ATOM 1976 O HIS B 114 -26.533 2.138 -9.849 1.00 11.27 O ATOM 1977 CB HIS B 114 -25.297 4.532 -8.373 1.00 14.54 C ATOM 1978 CG HIS B 114 -24.230 5.319 -7.690 1.00 22.26 C ATOM 1979 ND1 HIS B 114 -24.480 6.084 -6.574 1.00 10.66 N ATOM 1980 CD2 HIS B 114 -22.920 5.493 -7.984 1.00 19.40 C ATOM 1981 CE1 HIS B 114 -23.368 6.690 -6.201 1.00 15.57 C ATOM 1982 NE2 HIS B 114 -22.406 6.347 -7.038 1.00 17.46 N ATOM 1983 H HIS B 114 -23.612 2.810 -9.355 1.00 0.00 H ATOM 1984 N VAL B 115 -27.595 2.248 -7.870 1.00 11.65 N ATOM 1985 CA VAL B 115 -28.881 1.861 -8.442 1.00 13.95 C ATOM 1986 C VAL B 115 -29.942 2.814 -7.914 1.00 17.24 C ATOM 1987 O VAL B 115 -30.140 2.913 -6.701 1.00 11.29 O ATOM 1988 CB VAL B 115 -29.261 0.405 -8.139 1.00 9.94 C ATOM 1989 CG1 VAL B 115 -30.595 0.099 -8.780 1.00 14.55 C ATOM 1990 CG2 VAL B 115 -28.195 -0.539 -8.658 1.00 20.00 C ATOM 1991 H VAL B 115 -27.506 2.383 -6.843 1.00 0.00 H ATOM 1992 N LEU B 116 -30.626 3.497 -8.824 1.00 9.67 N ATOM 1993 CA LEU B 116 -31.594 4.540 -8.497 1.00 14.42 C ATOM 1994 C LEU B 116 -32.934 4.258 -9.165 1.00 8.90 C ATOM 1995 O LEU B 116 -32.985 3.932 -10.353 1.00 15.87 O ATOM 1996 CB LEU B 116 -31.085 5.914 -8.935 1.00 15.45 C ATOM 1997 CG LEU B 116 -29.671 6.375 -8.575 1.00 17.72 C ATOM 1998 CD1 LEU B 116 -28.644 6.132 -9.693 1.00 14.75 C ATOM 1999 CD2 LEU B 116 -29.726 7.868 -8.192 1.00 12.83 C ATOM 2000 H LEU B 116 -30.463 3.277 -9.827 1.00 0.00 H ATOM 2001 N GLY B 117 -34.013 4.408 -8.404 1.00 15.28 N ATOM 2002 CA GLY B 117 -35.349 4.270 -8.948 1.00 12.78 C ATOM 2003 C GLY B 117 -36.385 4.784 -7.968 1.00 18.09 C ATOM 2004 O GLY B 117 -36.065 5.465 -6.991 1.00 13.20 O ATOM 2005 H GLY B 117 -33.896 4.630 -7.395 1.00 0.00 H ATOM 2006 N GLY B 118 -37.640 4.428 -8.228 1.00 18.10 N ATOM 2007 CA GLY B 118 -38.736 4.983 -7.472 1.00 16.71 C ATOM 2008 C GLY B 118 -39.215 6.325 -7.962 1.00 22.10 C ATOM 2009 O GLY B 118 -40.150 6.880 -7.379 1.00 24.04 O ATOM 2010 H GLY B 118 -37.833 3.742 -8.985 1.00 0.00 H ATOM 2011 N ARG B 119 -38.596 6.868 -9.007 1.00 16.28 N ATOM 2012 CA ARG B 119 -39.024 8.110 -9.631 1.00 19.20 C ATOM 2013 C ARG B 119 -38.546 8.078 -11.072 1.00 16.43 C ATOM 2014 O ARG B 119 -37.689 7.275 -11.432 1.00 17.96 O ATOM 2015 CB ARG B 119 -38.462 9.337 -8.908 1.00 23.52 C ATOM 2016 CG ARG B 119 -36.943 9.484 -9.025 1.00 19.88 C ATOM 2017 CD ARG B 119 -36.531 10.918 -8.761 1.00 18.06 C ATOM 2018 NE ARG B 119 -35.088 11.076 -8.630 1.00 25.76 N ATOM 2019 CZ ARG B 119 -34.278 11.425 -9.623 1.00 20.68 C ATOM 2020 NH1 ARG B 119 -34.767 11.646 -10.835 1.00 23.31 N ATOM 2021 NH2 ARG B 119 -32.979 11.564 -9.402 1.00 14.11 N ATOM 2022 HE ARG B 119 -34.664 10.904 -7.696 1.00 0.00 H ATOM 2023 HH12 ARG B 119 -34.130 11.919 -11.611 1.00 0.00 H ATOM 2024 HH11 ARG B 119 -35.787 11.546 -11.010 1.00 0.00 H ATOM 2025 HH22 ARG B 119 -32.345 11.837 -10.180 1.00 0.00 H ATOM 2026 HH21 ARG B 119 -32.593 11.400 -8.450 1.00 0.00 H ATOM 2027 H ARG B 119 -37.765 6.380 -9.397 1.00 0.00 H ATOM 2028 N GLN B 120 -39.110 8.950 -11.903 1.00 17.53 N ATOM 2029 CA GLN B 120 -38.626 9.030 -13.275 1.00 14.22 C ATOM 2030 C GLN B 120 -37.202 9.566 -13.271 1.00 21.11 C ATOM 2031 O GLN B 120 -36.922 10.600 -12.658 1.00 18.79 O ATOM 2032 CB GLN B 120 -39.526 9.925 -14.123 1.00 22.17 C ATOM 2033 CG GLN B 120 -39.024 10.111 -15.562 1.00 14.44 C ATOM 2034 CD GLN B 120 -39.177 8.848 -16.403 1.00 18.47 C ATOM 2035 OE1 GLN B 120 -40.296 8.417 -16.686 1.00 23.97 O ATOM 2036 NE2 GLN B 120 -38.051 8.252 -16.812 1.00 13.23 N ATOM 2037 HE22 GLN B 120 -37.127 8.650 -16.550 1.00 0.00 H ATOM 2038 HE21 GLN B 120 -38.100 7.390 -17.392 1.00 0.00 H ATOM 2039 H GLN B 120 -39.884 9.565 -11.579 1.00 0.00 H ATOM 2040 N MET B 121 -36.293 8.840 -13.915 1.00 10.32 N ATOM 2041 CA MET B 121 -34.929 9.310 -14.113 1.00 9.47 C ATOM 2042 C MET B 121 -34.874 10.080 -15.422 1.00 17.07 C ATOM 2043 O MET B 121 -35.535 9.707 -16.396 1.00 19.37 O ATOM 2044 CB MET B 121 -33.940 8.142 -14.165 1.00 15.42 C ATOM 2045 CG MET B 121 -33.979 7.196 -12.967 1.00 14.28 C ATOM 2046 SD MET B 121 -33.734 8.031 -11.380 1.00 18.57 S ATOM 2047 CE MET B 121 -32.088 8.714 -11.607 1.00 12.90 C ATOM 2048 H MET B 121 -36.564 7.908 -14.289 1.00 0.00 H ATOM 2049 N HIS B 122 -34.076 11.138 -15.457 1.00 11.13 N ATOM 2050 CA HIS B 122 -34.119 12.044 -16.592 1.00 11.80 C ATOM 2051 C HIS B 122 -32.902 11.893 -17.497 1.00 13.91 C ATOM 2052 O HIS B 122 -31.931 11.196 -17.196 1.00 13.04 O ATOM 2053 CB HIS B 122 -34.257 13.491 -16.103 1.00 15.03 C ATOM 2054 CG HIS B 122 -35.482 13.712 -15.277 1.00 17.88 C ATOM 2055 ND1 HIS B 122 -35.431 14.148 -13.971 1.00 31.23 N ATOM 2056 CD2 HIS B 122 -36.791 13.510 -15.556 1.00 17.64 C ATOM 2057 CE1 HIS B 122 -36.659 14.235 -13.492 1.00 39.43 C ATOM 2058 NE2 HIS B 122 -37.502 13.852 -14.433 1.00 29.01 N ATOM 2059 H HIS B 122 -33.419 11.320 -14.672 1.00 0.00 H ATOM 2060 N TRP B 123 -32.979 12.568 -18.643 1.00 18.70 N ATOM 2061 CA TRP B 123 -31.924 12.592 -19.642 1.00 12.34 C ATOM 2062 C TRP B 123 -31.548 14.039 -19.928 1.00 17.95 C ATOM 2063 O TRP B 123 -32.446 14.884 -20.051 1.00 15.72 O ATOM 2064 CB TRP B 123 -32.393 11.909 -20.938 1.00 16.94 C ATOM 2065 CG TRP B 123 -31.318 11.241 -21.743 1.00 16.30 C ATOM 2066 CD1 TRP B 123 -30.953 11.527 -23.034 1.00 13.08 C ATOM 2067 CD2 TRP B 123 -30.485 10.153 -21.324 1.00 13.00 C ATOM 2068 NE1 TRP B 123 -29.935 10.696 -23.432 1.00 13.85 N ATOM 2069 CE2 TRP B 123 -29.634 9.837 -22.404 1.00 25.12 C ATOM 2070 CE3 TRP B 123 -30.376 9.416 -20.137 1.00 10.65 C ATOM 2071 CZ2 TRP B 123 -28.686 8.809 -22.335 1.00 14.28 C ATOM 2072 CZ3 TRP B 123 -29.432 8.391 -20.071 1.00 10.03 C ATOM 2073 CH2 TRP B 123 -28.604 8.096 -21.169 1.00 6.91 C ATOM 2074 HE1 TRP B 123 -29.468 10.714 -24.361 1.00 0.00 H ATOM 2075 H TRP B 123 -33.846 13.110 -18.834 1.00 0.00 H ATOM 2076 N PRO B 124 -30.250 14.381 -20.012 1.00 9.71 N ATOM 2077 CA PRO B 124 -29.068 13.532 -19.860 1.00 8.07 C ATOM 2078 C PRO B 124 -28.888 13.032 -18.424 1.00 10.57 C ATOM 2079 O PRO B 124 -29.438 13.659 -17.496 1.00 13.76 O ATOM 2080 CB PRO B 124 -27.919 14.460 -20.274 1.00 15.74 C ATOM 2081 CG PRO B 124 -28.404 15.831 -19.967 1.00 13.83 C ATOM 2082 CD PRO B 124 -29.886 15.802 -20.205 1.00 20.73 C ATOM 2083 N PRO B 125 -28.132 11.936 -18.233 1.00 15.75 N ATOM 2084 CA PRO B 125 -27.911 11.389 -16.871 1.00 8.01 C ATOM 2085 C PRO B 125 -26.832 12.164 -16.125 1.00 16.77 C ATOM 2086 O PRO B 125 -25.745 11.668 -15.829 1.00 16.95 O ATOM 2087 CB PRO B 125 -27.486 9.947 -17.168 1.00 11.83 C ATOM 2088 CG PRO B 125 -26.654 10.111 -18.426 1.00 7.57 C ATOM 2089 CD PRO B 125 -27.384 11.168 -19.245 1.00 9.69 C ATOM 2090 N GLY B 126 -27.124 13.418 -15.802 1.00 20.65 N ATOM 2091 CA GLY B 126 -26.089 14.317 -15.334 1.00 9.10 C ATOM 2092 C GLY B 126 -25.307 15.000 -16.451 1.00 24.16 C ATOM 2093 O GLY B 126 -24.300 15.671 -16.188 1.00 13.04 O ATOM 2094 OXT GLY B 126 -25.639 14.909 -17.649 1.00 21.08 O ATOM 2095 H GLY B 126 -28.103 13.758 -15.886 1.00 0.00 H TER 2096 GLY B 126 HETATM 2097 O HOH 1 -13.888 13.173 -19.623 1.00 16.69 O HETATM 2098 O HOH 2 -15.666 19.840 -21.942 1.00 10.44 O HETATM 2099 O HOH 3 -30.250 -13.618 -21.194 1.00 22.52 O HETATM 2100 O HOH 4 -14.847 14.404 -26.167 1.00 15.44 O HETATM 2101 O HOH 5 -32.048 -2.535 -19.481 1.00 12.88 O HETATM 2102 O HOH 6 -29.321 1.180 -20.961 1.00 17.75 O HETATM 2103 O HOH 7 -23.024 5.362 -34.369 1.00 23.71 O HETATM 2104 O HOH 8 -23.673 -1.366 -38.453 1.00 15.13 O HETATM 2105 O HOH 9 -10.537 3.941 -18.727 1.00 12.45 O HETATM 2106 O HOH 10 -20.577 19.991 -17.610 1.00 17.84 O HETATM 2107 O HOH 11 -20.420 -13.587 -32.051 1.00 18.02 O HETATM 2108 O HOH 12 -22.951 -11.462 -26.657 1.00 13.61 O HETATM 2109 O HOH 13 -15.577 -3.674 -36.444 1.00 19.93 O HETATM 2110 O HOH 14 -36.211 -1.678 -35.189 1.00 14.03 O HETATM 2111 O HOH 15 -14.207 6.731 -32.796 1.00 16.16 O HETATM 2112 O HOH 16 -17.527 2.191 -38.240 1.00 11.91 O HETATM 2113 O HOH 17 -21.306 14.106 -10.698 1.00 16.51 O HETATM 2114 O HOH 18 -8.033 0.212 -20.095 1.00 27.67 O HETATM 2115 O HOH 19 -23.310 -8.860 -40.596 1.00 28.27 O HETATM 2116 O HOH 20 -19.505 10.348 -29.121 1.00 10.30 O HETATM 2117 O HOH 21 -17.428 20.529 -18.222 1.00 25.15 O HETATM 2118 O HOH 22 -30.211 -1.460 -21.340 1.00 21.33 O HETATM 2119 O HOH 23 -34.258 -11.041 -23.385 1.00 19.44 O HETATM 2120 O HOH 24 -12.404 -3.593 -32.829 1.00 22.48 O HETATM 2121 O HOH 25 -18.296 -2.279 -39.398 1.00 14.56 O HETATM 2122 O HOH 26 -21.902 0.126 -39.638 1.00 20.30 O HETATM 2123 O HOH 27 -22.409 18.278 -23.433 1.00 22.51 O HETATM 2124 O HOH 28 -37.569 -7.955 -32.834 1.00 11.03 O HETATM 2125 O HOH 29 -22.532 -0.299 -42.235 1.00 20.23 O HETATM 2126 O HOH 30 -17.777 0.436 -42.130 1.00 15.82 O HETATM 2127 O HOH 31 -14.090 -11.939 -11.922 1.00 13.25 O HETATM 2128 O HOH 32 -38.814 3.510 -4.126 1.00 24.97 O HETATM 2129 O HOH 33 -34.640 -6.103 -11.709 1.00 16.88 O HETATM 2130 O HOH 34 -14.808 4.027 -10.881 1.00 18.11 O HETATM 2131 O HOH 35 -38.827 3.008 -10.151 1.00 14.55 O HETATM 2132 O HOH 36 -41.703 6.235 -16.043 1.00 21.19 O HETATM 2133 O HOH 37 -25.165 -8.805 5.676 1.00 19.62 O HETATM 2134 O HOH 38 -25.422 10.352 -3.415 1.00 30.30 O HETATM 2135 O HOH 39 -25.310 -14.503 0.205 1.00 21.48 O HETATM 2136 O HOH 40 -13.197 7.411 2.370 1.00 10.61 O HETATM 2137 O HOH 41 -20.199 13.616 -8.092 1.00 15.06 O HETATM 2138 O HOH 42 -21.327 -1.978 7.845 1.00 14.61 O HETATM 2139 O HOH 43 -32.812 -8.097 -1.719 1.00 26.32 O HETATM 2140 O HOH 44 -32.641 3.926 -0.707 1.00 16.06 O HETATM 2141 O HOH 45 -8.283 2.375 -18.328 1.00 19.49 O HETATM 2142 O HOH 46 -16.620 -17.671 -9.044 1.00 20.31 O HETATM 2143 O HOH 47 -25.119 -14.276 -4.544 1.00 22.30 O HETATM 2144 O HOH 48 -19.515 4.840 -9.052 1.00 12.13 O HETATM 2145 O HOH 49 -14.949 -8.971 -4.521 1.00 18.40 O HETATM 2146 O HOH 50 -9.830 12.036 -12.397 1.00 22.40 O HETATM 2147 O HOH 51 -11.848 7.970 -1.931 1.00 17.13 O HETATM 2148 O HOH 52 -16.929 3.537 -8.885 1.00 13.72 O HETATM 2149 O HOH 53 -7.226 -1.044 -7.502 1.00 25.85 O HETATM 2150 O HOH 54 -26.929 3.143 9.336 1.00 25.07 O HETATM 2151 O HOH 55 -13.793 7.091 6.330 1.00 22.79 O HETATM 2152 O6 HHJ A 56 -29.880 4.400 -35.015 1.00 -0.36 O HETATM 2153 C6 HHJ A 56 -29.199 4.643 -33.998 1.00 0.26 C HETATM 2154 N1 HHJ A 56 -27.861 4.723 -34.048 1.00 -0.25 N HETATM 2155 C2 HHJ A 56 -27.097 4.981 -32.979 1.00 0.20 C HETATM 2156 N2 HHJ A 56 -25.749 5.044 -33.139 1.00 -0.33 N HETATM 2157 H2 HHJ A 56 -25.143 5.241 -32.330 1.00 0.18 H HETATM 2158 H3 HHJ A 56 -25.333 4.894 -34.069 1.00 0.18 H HETATM 2159 N3 HHJ A 56 -27.641 5.205 -31.759 1.00 -0.19 N HETATM 2160 C4 HHJ A 56 -28.982 5.153 -31.570 1.00 0.33 C HETATM 2161 C5 HHJ A 56 -29.859 4.864 -32.709 1.00 0.26 C HETATM 2162 N7 HHJ A 56 -31.127 4.871 -32.256 1.00 -0.19 N HETATM 2163 C8 HHJ A 56 -31.070 5.149 -30.926 1.00 0.19 C HETATM 2164 N9 HHJ A 56 -29.794 5.300 -30.523 1.00 -0.10 N HETATM 2165 C1' HHJ A 56 -29.372 5.666 -29.175 1.00 0.22 C HETATM 2166 O4' HHJ A 56 -29.727 4.636 -28.294 1.00 -0.33 O HETATM 2167 C4' HHJ A 56 -29.867 5.195 -26.966 1.00 0.12 C HETATM 2168 C3' HHJ A 56 -30.040 6.712 -27.138 1.00 0.12 C HETATM 2169 C2' HHJ A 56 -30.104 6.905 -28.657 1.00 0.14 C HETATM 2170 O2' HHJ A 56 -29.524 8.112 -29.114 1.00 -0.38 O HETATM 2171 H8 HHJ A 56 -28.622 8.161 -28.818 1.00 0.21 H HETATM 2172 H7 HHJ A 56 -31.152 6.890 -28.989 1.00 0.07 H HETATM 2173 O3' HHJ A 56 -28.914 7.413 -26.609 1.00 -0.39 O HETATM 2174 H10 HHJ A 56 -28.118 7.075 -27.003 1.00 0.21 H HETATM 2175 H9 HHJ A 56 -30.962 7.063 -26.652 1.00 0.06 H HETATM 2176 C5' HHJ A 56 -31.011 4.511 -26.276 1.00 0.11 C HETATM 2177 O5' HHJ A 56 -30.710 4.316 -24.907 1.00 -0.26 O HETATM 2178 C1 HHJ A 56 -31.644 4.716 -23.890 1.00 0.32 C HETATM 2179 O2 HHJ A 56 -32.728 4.162 -23.840 1.00 -0.38 O HETATM 2180 N4 HHJ A 56 -31.215 5.685 -23.093 1.00 -0.26 N HETATM 2181 C9 HHJ A 56 -32.070 6.690 -22.511 1.00 0.04 C HETATM 2182 C10 HHJ A 56 -32.514 7.801 -23.457 1.00 -0.02 C HETATM 2183 C12 HHJ A 56 -33.985 8.022 -23.188 1.00 -0.04 C HETATM 2184 C16 HHJ A 56 -35.025 7.824 -24.089 1.00 0.02 C HETATM 2185 N23 HHJ A 56 -36.197 8.113 -23.467 1.00 -0.29 N HETATM 2186 C22 HHJ A 56 -35.946 8.487 -22.187 1.00 0.06 C HETATM 2187 C17 HHJ A 56 -34.573 8.432 -21.992 1.00 -0.02 C HETATM 2188 C18 HHJ A 56 -34.001 8.764 -20.763 1.00 -0.07 C HETATM 2189 C19 HHJ A 56 -34.825 9.156 -19.710 1.00 -0.08 C HETATM 2190 C20 HHJ A 56 -36.208 9.214 -19.900 1.00 -0.08 C HETATM 2191 C21 HHJ A 56 -36.767 8.883 -21.134 1.00 -0.04 C HETATM 2192 H23 HHJ A 56 -37.841 8.934 -21.274 1.00 0.05 H HETATM 2193 H22 HHJ A 56 -36.851 9.518 -19.082 1.00 0.05 H HETATM 2194 H21 HHJ A 56 -34.395 9.415 -18.749 1.00 0.05 H HETATM 2195 H20 HHJ A 56 -32.926 8.717 -20.629 1.00 0.05 H HETATM 2196 H24 HHJ A 56 -37.130 8.057 -23.899 1.00 0.22 H HETATM 2197 H19 HHJ A 56 -34.918 7.493 -25.121 1.00 0.08 H HETATM 2198 H17 HHJ A 56 -32.359 7.496 -24.503 1.00 0.04 H HETATM 2199 H18 HHJ A 56 -31.947 8.722 -23.256 1.00 0.04 H HETATM 2200 H15 HHJ A 56 -31.527 7.154 -21.674 1.00 0.05 H HETATM 2201 H16 HHJ A 56 -32.972 6.189 -22.130 1.00 0.05 H HETATM 2202 H14 HHJ A 56 -30.238 5.721 -22.883 1.00 0.19 H HETATM 2203 H12 HHJ A 56 -31.191 3.535 -26.751 1.00 0.06 H HETATM 2204 H13 HHJ A 56 -31.913 5.134 -26.364 1.00 0.06 H HETATM 2205 H11 HHJ A 56 -28.952 5.009 -26.384 1.00 0.07 H HETATM 2206 H6 HHJ A 56 -28.285 5.835 -29.164 1.00 0.10 H HETATM 2207 H5 HHJ A 56 -31.939 5.237 -30.275 1.00 0.18 H HETATM 2208 H4 HHJ A 56 -27.025 5.418 -30.962 1.00 0.25 H HETATM 2209 H1 HHJ A 56 -27.410 4.583 -34.930 1.00 0.18 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1065 1066 1073 1074 1075 CONECT 1073 1065 CONECT 1074 1065 CONECT 1075 1065 CONECT 2152 2153 CONECT 2153 2152 2154 2161 CONECT 2154 2153 2155 2209 CONECT 2155 2154 2156 2159 CONECT 2156 2155 2157 2158 CONECT 2157 2156 CONECT 2158 2156 CONECT 2159 2155 2160 2208 CONECT 2160 2159 2161 2164 CONECT 2161 2153 2160 2162 CONECT 2162 2161 2163 CONECT 2163 2162 2164 2207 CONECT 2164 2160 2163 2165 CONECT 2165 2164 2166 2169 2206 CONECT 2166 2165 2167 CONECT 2167 2166 2168 2176 2205 CONECT 2168 2167 2169 2173 2175 CONECT 2169 2165 2168 2170 2172 CONECT 2170 2169 2171 CONECT 2171 2170 CONECT 2172 2169 CONECT 2173 2168 2174 CONECT 2174 2173 CONECT 2175 2168 CONECT 2176 2167 2177 2203 2204 CONECT 2177 2176 2178 CONECT 2178 2177 2179 2180 CONECT 2179 2178 CONECT 2180 2178 2181 2202 CONECT 2181 2180 2182 2200 2201 CONECT 2182 2181 2183 2198 2199 CONECT 2183 2182 2184 2187 CONECT 2184 2183 2185 2197 CONECT 2185 2184 2186 2196 CONECT 2186 2185 2187 2191 CONECT 2187 2183 2186 2188 CONECT 2188 2187 2189 2195 CONECT 2189 2188 2190 2194 CONECT 2190 2189 2191 2193 CONECT 2191 2186 2190 2192 CONECT 2192 2191 CONECT 2193 2190 CONECT 2194 2189 CONECT 2195 2188 CONECT 2196 2185 CONECT 2197 2184 CONECT 2198 2182 CONECT 2199 2182 CONECT 2200 2181 CONECT 2201 2181 CONECT 2202 2180 CONECT 2203 2176 CONECT 2204 2176 CONECT 2205 2167 CONECT 2206 2165 CONECT 2207 2163 CONECT 2208 2159 CONECT 2209 2154 MASTER 0 0 0 0 0 0 0 0 2207 2 66 18 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6n3y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5i2e
RCSB PDB
PDBbind
129aa, >5I2E_1|Chains... *
5i2f
RCSB PDB
PDBbind
129aa, >5I2F_1|Chains... at 100%
5ipc
RCSB PDB
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%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6n3y
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
HINT1
Ligand Name
HHJ
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=3.65uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Chem Neurosci Vol. 10: pp. 4385-4393
Ligand Properties
Formula
C
2
1
H
2
4
N
7
O
6
Molecular Weight
470.459
Exact Mass
470.179
No. of atoms
58
No. of bonds
62
Polar Surface Area
194.65
LOGP Value
0.49 (
Computed with XLOGP3
)
0.16 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 5
Canonical SMILES
O=C(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(N)[nH+]c2=O)NCCc1c[nH]c2c1cccc2
InChI String
InChI=1S/C21H23N7O6/c22-20-26-17-14(18(31)27-20)25-9-28(17)19-16(30)15(29)13(34-19)8-33-21(32)23-6-5-10-7-24-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,24,29-30H,5-6,8H2,(H,23,32)(H3,22,26,27,31)/p+1/t13-,15-,16-,19-/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
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓