Browse entries in the PDBbind-CN Database
HEADER 6N3V_COMPLEX COMPND 6N3V_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 112 GLY ASP THR ILE PHE GLY LYS ILE ILE ARG LYS GLU ILE SEQRES 2 B 112 PRO ALA LYS ILE ILE PHE GLU ASP ASP ARG CYS LEU ALA SEQRES 3 B 112 PHE HIS ASP ILE SER PRO GLN ALA PRO THR HIS PHE LEU SEQRES 4 B 112 VAL ILE PRO LYS LYS HIS ILE SER GLN ILE SER VAL ALA SEQRES 5 B 112 GLU ASP ASP ASP GLU SER LEU LEU GLY HIS LEU MET ILE SEQRES 6 B 112 VAL GLY LYS LYS CYS ALA ALA ASP LEU GLY LEU ASN LYS SEQRES 7 B 112 GLY TYR ARG MET VAL VAL ASN GLU GLY SER ASP GLY GLY SEQRES 8 B 112 GLN SER VAL TYR HIS VAL HIS LEU HIS VAL LEU GLY GLY SEQRES 9 B 112 ARG GLN MET HIS TRP PRO PRO GLY HET KB A 7 44 ATOM 1 N ARG A 12 -33.001 -13.504 -36.624 1.00 51.00 N ATOM 2 CA ARG A 12 -31.652 -13.106 -37.009 1.00 37.70 C ATOM 3 C ARG A 12 -30.814 -12.839 -35.760 1.00 33.46 C ATOM 4 O ARG A 12 -31.330 -12.342 -34.759 1.00 36.10 O ATOM 5 CB ARG A 12 -31.696 -11.872 -37.916 1.00 37.72 C ATOM 6 HN3 ARG A 12 -33.441 -12.742 -36.071 1.00 0.00 H ATOM 7 HN2 ARG A 12 -32.955 -14.369 -36.049 1.00 0.00 H ATOM 8 HN1 ARG A 12 -33.565 -13.684 -37.479 1.00 0.00 H ATOM 9 N PRO A 13 -29.526 -13.181 -35.813 1.00 31.68 N ATOM 10 CA PRO A 13 -28.675 -13.059 -34.615 1.00 27.82 C ATOM 11 C PRO A 13 -28.534 -11.613 -34.161 1.00 26.43 C ATOM 12 O PRO A 13 -28.087 -10.744 -34.916 1.00 21.40 O ATOM 13 CB PRO A 13 -27.334 -13.641 -35.076 1.00 29.70 C ATOM 14 CG PRO A 13 -27.353 -13.500 -36.563 1.00 25.12 C ATOM 15 CD PRO A 13 -28.780 -13.692 -36.974 1.00 30.80 C ATOM 16 N GLY A 14 -28.900 -11.363 -32.902 1.00 22.29 N ATOM 17 CA GLY A 14 -28.900 -10.032 -32.335 1.00 19.45 C ATOM 18 C GLY A 14 -30.259 -9.358 -32.302 1.00 12.16 C ATOM 19 O GLY A 14 -30.402 -8.327 -31.635 1.00 15.32 O ATOM 20 H GLY A 14 -29.198 -12.159 -32.303 1.00 0.00 H ATOM 21 N GLY A 15 -31.247 -9.902 -33.014 1.00 17.85 N ATOM 22 CA GLY A 15 -32.584 -9.335 -33.027 1.00 14.10 C ATOM 23 C GLY A 15 -32.716 -8.195 -34.020 1.00 12.60 C ATOM 24 O GLY A 15 -31.800 -7.863 -34.772 1.00 11.31 O ATOM 25 H GLY A 15 -31.055 -10.756 -33.576 1.00 0.00 H ATOM 26 N ASP A 16 -33.894 -7.566 -34.001 1.00 12.03 N ATOM 27 CA ASP A 16 -34.212 -6.529 -34.977 1.00 11.07 C ATOM 28 C ASP A 16 -34.423 -5.149 -34.370 1.00 10.59 C ATOM 29 O ASP A 16 -34.931 -4.260 -35.067 1.00 10.09 O ATOM 30 CB ASP A 16 -35.417 -6.927 -35.834 1.00 11.47 C ATOM 31 CG ASP A 16 -35.100 -8.049 -36.802 1.00 11.23 C ATOM 32 OD1 ASP A 16 -33.980 -8.070 -37.357 1.00 14.91 O ATOM 33 OD2 ASP A 16 -35.977 -8.917 -36.994 1.00 14.23 O ATOM 34 H ASP A 16 -34.597 -7.820 -33.278 1.00 0.00 H ATOM 35 N THR A 17 -34.051 -4.932 -33.108 1.00 9.42 N ATOM 36 CA THR A 17 -33.886 -3.554 -32.668 1.00 7.90 C ATOM 37 C THR A 17 -32.812 -2.888 -33.522 1.00 9.70 C ATOM 38 O THR A 17 -32.036 -3.548 -34.219 1.00 9.59 O ATOM 39 CB THR A 17 -33.463 -3.455 -31.192 1.00 10.44 C ATOM 40 OG1 THR A 17 -32.106 -3.905 -31.039 1.00 11.75 O ATOM 41 CG2 THR A 17 -34.401 -4.247 -30.270 1.00 13.48 C ATOM 42 HG1 THR A 17 -32.036 -4.847 -31.336 1.00 0.00 H ATOM 43 H THR A 17 -33.883 -5.725 -32.456 1.00 0.00 H ATOM 44 N ILE A 18 -32.766 -1.554 -33.461 1.00 9.41 N ATOM 45 CA ILE A 18 -31.714 -0.826 -34.169 1.00 11.64 C ATOM 46 C ILE A 18 -30.335 -1.386 -33.837 1.00 9.44 C ATOM 47 O ILE A 18 -29.447 -1.424 -34.696 1.00 10.66 O ATOM 48 CB ILE A 18 -31.817 0.693 -33.884 1.00 14.54 C ATOM 49 CG1 ILE A 18 -30.624 1.458 -34.457 1.00 20.27 C ATOM 50 CG2 ILE A 18 -31.899 0.972 -32.386 1.00 18.16 C ATOM 51 CD1 ILE A 18 -30.604 1.511 -35.937 1.00 25.22 C ATOM 52 H ILE A 18 -33.478 -1.034 -32.910 1.00 0.00 H ATOM 53 N PHE A 19 -30.138 -1.850 -32.597 1.00 9.69 N ATOM 54 CA PHE A 19 -28.822 -2.346 -32.203 1.00 7.66 C ATOM 55 C PHE A 19 -28.526 -3.695 -32.843 1.00 10.34 C ATOM 56 O PHE A 19 -27.382 -3.965 -33.232 1.00 9.31 O ATOM 57 CB PHE A 19 -28.720 -2.431 -30.675 1.00 9.35 C ATOM 58 CG PHE A 19 -28.724 -1.091 -29.980 1.00 9.02 C ATOM 59 CD1 PHE A 19 -28.619 0.100 -30.692 1.00 11.42 C ATOM 60 CD2 PHE A 19 -28.804 -1.028 -28.599 1.00 11.88 C ATOM 61 CE1 PHE A 19 -28.617 1.332 -30.043 1.00 10.69 C ATOM 62 CE2 PHE A 19 -28.801 0.209 -27.940 1.00 10.83 C ATOM 63 CZ PHE A 19 -28.712 1.383 -28.662 1.00 10.43 C ATOM 64 H PHE A 19 -30.922 -1.857 -31.914 1.00 0.00 H ATOM 65 N GLY A 20 -29.544 -4.548 -32.977 1.00 8.81 N ATOM 66 CA GLY A 20 -29.373 -5.784 -33.732 1.00 11.25 C ATOM 67 C GLY A 20 -29.023 -5.536 -35.188 1.00 9.50 C ATOM 68 O GLY A 20 -28.170 -6.223 -35.758 1.00 12.42 O ATOM 69 H GLY A 20 -30.463 -4.330 -32.541 1.00 0.00 H ATOM 70 N LYS A 21 -29.666 -4.537 -35.806 1.00 10.65 N ATOM 71 CA LYS A 21 -29.341 -4.155 -37.181 1.00 11.18 C ATOM 72 C LYS A 21 -27.906 -3.650 -37.293 1.00 11.19 C ATOM 73 O LYS A 21 -27.202 -3.963 -38.260 1.00 12.09 O ATOM 74 CB LYS A 21 -30.300 -3.065 -37.658 1.00 13.10 C ATOM 75 CG LYS A 21 -31.781 -3.403 -37.554 1.00 16.65 C ATOM 76 CD LYS A 21 -32.216 -4.372 -38.627 1.00 17.21 C ATOM 77 CE LYS A 21 -32.154 -3.745 -40.017 1.00 19.27 C ATOM 78 NZ LYS A 21 -32.350 -4.797 -41.053 1.00 18.97 N ATOM 79 HZ1 LYS A 21 -31.601 -5.513 -40.964 1.00 0.00 H ATOM 80 HZ2 LYS A 21 -33.278 -5.246 -40.918 1.00 0.00 H ATOM 81 HZ3 LYS A 21 -32.307 -4.364 -41.998 1.00 0.00 H ATOM 82 H LYS A 21 -30.413 -4.021 -35.298 1.00 0.00 H ATOM 83 N ILE A 22 -27.466 -2.848 -36.322 1.00 9.47 N ATOM 84 CA ILE A 22 -26.089 -2.360 -36.301 1.00 9.67 C ATOM 85 C ILE A 22 -25.101 -3.513 -36.140 1.00 8.78 C ATOM 86 O ILE A 22 -24.063 -3.556 -36.816 1.00 10.24 O ATOM 87 CB ILE A 22 -25.928 -1.294 -35.200 1.00 8.86 C ATOM 88 CG1 ILE A 22 -26.643 -0.002 -35.613 1.00 9.17 C ATOM 89 CG2 ILE A 22 -24.454 -1.038 -34.891 1.00 9.51 C ATOM 90 CD1 ILE A 22 -26.666 1.065 -34.525 1.00 9.98 C ATOM 91 H ILE A 22 -28.118 -2.564 -35.563 1.00 0.00 H ATOM 92 N ILE A 23 -25.395 -4.452 -35.233 1.00 8.95 N ATOM 93 CA ILE A 23 -24.536 -5.628 -35.060 1.00 8.76 C ATOM 94 C ILE A 23 -24.301 -6.345 -36.387 1.00 12.50 C ATOM 95 O ILE A 23 -23.173 -6.746 -36.701 1.00 11.72 O ATOM 96 CB ILE A 23 -25.116 -6.578 -33.994 1.00 8.38 C ATOM 97 CG1 ILE A 23 -24.974 -5.979 -32.594 1.00 10.03 C ATOM 98 CG2 ILE A 23 -24.440 -7.954 -34.073 1.00 11.88 C ATOM 99 CD1 ILE A 23 -25.898 -6.605 -31.590 1.00 9.94 C ATOM 100 H ILE A 23 -26.245 -4.346 -34.643 1.00 0.00 H ATOM 101 N ARG A 24 -25.352 -6.501 -37.193 1.00 9.42 N ATOM 102 CA ARG A 24 -25.251 -7.225 -38.458 1.00 8.78 C ATOM 103 C ARG A 24 -24.835 -6.344 -39.636 1.00 11.64 C ATOM 104 O ARG A 24 -24.882 -6.810 -40.784 1.00 13.00 O ATOM 105 CB ARG A 24 -26.560 -7.956 -38.761 1.00 11.50 C ATOM 106 CG ARG A 24 -26.848 -9.087 -37.769 1.00 11.36 C ATOM 107 CD ARG A 24 -27.999 -9.980 -38.237 1.00 12.46 C ATOM 108 NE ARG A 24 -29.182 -9.180 -38.521 1.00 13.26 N ATOM 109 CZ ARG A 24 -30.064 -8.804 -37.600 1.00 13.55 C ATOM 110 NH1 ARG A 24 -29.915 -9.191 -36.338 1.00 12.68 N ATOM 111 NH2 ARG A 24 -31.104 -8.051 -37.945 1.00 12.91 N ATOM 112 HE ARG A 24 -29.347 -8.885 -39.504 1.00 0.00 H ATOM 113 HH12 ARG A 24 -30.606 -8.896 -35.619 1.00 0.00 H ATOM 114 HH11 ARG A 24 -29.108 -9.789 -36.069 1.00 0.00 H ATOM 115 HH22 ARG A 24 -31.794 -7.756 -37.225 1.00 0.00 H ATOM 116 HH21 ARG A 24 -31.227 -7.756 -38.935 1.00 0.00 H ATOM 117 H ARG A 24 -26.268 -6.096 -36.913 1.00 0.00 H ATOM 118 N LYS A 25 -24.404 -5.106 -39.381 1.00 10.53 N ATOM 119 CA LYS A 25 -23.942 -4.177 -40.413 1.00 11.35 C ATOM 120 C LYS A 25 -25.042 -3.820 -41.413 1.00 10.55 C ATOM 121 O LYS A 25 -24.748 -3.464 -42.560 1.00 13.57 O ATOM 122 CB LYS A 25 -22.693 -4.688 -41.152 1.00 13.50 C ATOM 123 CG LYS A 25 -21.650 -5.390 -40.290 1.00 18.88 C ATOM 124 CD LYS A 25 -20.883 -4.430 -39.439 1.00 16.26 C ATOM 125 CE LYS A 25 -19.758 -5.150 -38.688 1.00 16.02 C ATOM 126 NZ LYS A 25 -19.173 -4.230 -37.699 1.00 15.15 N ATOM 127 HZ1 LYS A 25 -18.790 -3.396 -38.188 1.00 0.00 H ATOM 128 HZ2 LYS A 25 -19.909 -3.932 -37.027 1.00 0.00 H ATOM 129 HZ3 LYS A 25 -18.409 -4.714 -37.186 1.00 0.00 H ATOM 130 H LYS A 25 -24.396 -4.784 -38.392 1.00 0.00 H ATOM 131 N GLU A 26 -26.307 -3.920 -41.003 1.00 10.89 N ATOM 132 CA GLU A 26 -27.435 -3.576 -41.860 1.00 11.62 C ATOM 133 C GLU A 26 -27.793 -2.107 -41.766 1.00 11.84 C ATOM 134 O GLU A 26 -28.419 -1.564 -42.685 1.00 15.46 O ATOM 135 CB GLU A 26 -28.640 -4.460 -41.509 1.00 11.35 C ATOM 136 CG GLU A 26 -28.342 -5.941 -41.749 1.00 10.95 C ATOM 137 CD GLU A 26 -29.332 -6.893 -41.090 1.00 16.85 C ATOM 138 OE1 GLU A 26 -30.251 -6.443 -40.373 1.00 15.89 O ATOM 139 OE2 GLU A 26 -29.180 -8.121 -41.279 1.00 15.87 O ATOM 140 H GLU A 26 -26.496 -4.256 -40.037 1.00 0.00 H ATOM 141 N ILE A 27 -27.414 -1.459 -40.670 1.00 11.73 N ATOM 142 CA ILE A 27 -27.539 -0.019 -40.469 1.00 13.12 C ATOM 143 C ILE A 27 -26.133 0.464 -40.134 1.00 11.18 C ATOM 144 O ILE A 27 -25.427 -0.208 -39.369 1.00 12.70 O ATOM 145 CB ILE A 27 -28.524 0.289 -39.329 1.00 16.02 C ATOM 146 CG1 ILE A 27 -29.953 -0.084 -39.738 1.00 16.18 C ATOM 147 CG2 ILE A 27 -28.432 1.751 -38.902 1.00 19.27 C ATOM 148 CD1 ILE A 27 -30.460 0.665 -40.949 1.00 19.81 C ATOM 149 H ILE A 27 -26.998 -2.019 -39.899 1.00 0.00 H ATOM 150 N PRO A 28 -25.672 1.593 -40.674 1.00 13.26 N ATOM 151 CA PRO A 28 -24.301 2.026 -40.381 1.00 12.69 C ATOM 152 C PRO A 28 -24.166 2.607 -38.984 1.00 13.38 C ATOM 153 O PRO A 28 -25.123 3.108 -38.388 1.00 15.00 O ATOM 154 CB PRO A 28 -24.027 3.094 -41.445 1.00 18.20 C ATOM 155 CG PRO A 28 -25.383 3.594 -41.838 1.00 26.05 C ATOM 156 CD PRO A 28 -26.314 2.421 -41.709 1.00 17.03 C ATOM 157 N ALA A 29 -22.943 2.531 -38.471 1.00 12.37 N ATOM 158 CA ALA A 29 -22.603 3.105 -37.179 1.00 10.65 C ATOM 159 C ALA A 29 -21.116 3.412 -37.178 1.00 11.43 C ATOM 160 O ALA A 29 -20.356 2.894 -38.003 1.00 13.65 O ATOM 161 CB ALA A 29 -22.958 2.147 -36.035 1.00 14.94 C ATOM 162 H ALA A 29 -22.202 2.043 -39.013 1.00 0.00 H ATOM 163 N LYS A 30 -20.705 4.286 -36.259 1.00 9.61 N ATOM 164 CA LYS A 30 -19.293 4.646 -36.120 1.00 9.95 C ATOM 165 C LYS A 30 -18.702 3.740 -35.048 1.00 10.07 C ATOM 166 O LYS A 30 -18.829 4.003 -33.850 1.00 9.52 O ATOM 167 CB LYS A 30 -19.152 6.132 -35.798 1.00 10.43 C ATOM 168 CG LYS A 30 -19.779 7.065 -36.844 1.00 17.27 C ATOM 169 CD LYS A 30 -19.216 6.848 -38.243 1.00 18.52 C ATOM 170 CE LYS A 30 -17.729 7.167 -38.334 1.00 25.78 C ATOM 171 NZ LYS A 30 -17.211 6.984 -39.727 1.00 35.43 N ATOM 172 HZ1 LYS A 30 -17.355 5.997 -40.022 1.00 0.00 H ATOM 173 HZ2 LYS A 30 -17.724 7.618 -40.372 1.00 0.00 H ATOM 174 HZ3 LYS A 30 -16.196 7.210 -39.751 1.00 0.00 H ATOM 175 H LYS A 30 -21.405 4.723 -35.625 1.00 0.00 H ATOM 176 N ILE A 31 -18.067 2.657 -35.492 1.00 11.23 N ATOM 177 CA ILE A 31 -17.606 1.596 -34.603 1.00 11.63 C ATOM 178 C ILE A 31 -16.270 1.985 -33.990 1.00 12.24 C ATOM 179 O ILE A 31 -15.380 2.504 -34.676 1.00 14.15 O ATOM 180 CB ILE A 31 -17.495 0.268 -35.376 1.00 12.02 C ATOM 181 CG1 ILE A 31 -18.808 -0.050 -36.092 1.00 13.77 C ATOM 182 CG2 ILE A 31 -17.112 -0.873 -34.436 1.00 12.03 C ATOM 183 CD1 ILE A 31 -19.999 -0.132 -35.172 1.00 11.48 C ATOM 184 H ILE A 31 -17.893 2.564 -36.513 1.00 0.00 H ATOM 185 N ILE A 32 -16.127 1.729 -32.693 1.00 10.27 N ATOM 186 CA ILE A 32 -14.876 1.953 -31.978 1.00 12.06 C ATOM 187 C ILE A 32 -14.113 0.653 -31.780 1.00 11.82 C ATOM 188 O ILE A 32 -12.884 0.626 -31.881 1.00 15.11 O ATOM 189 CB ILE A 32 -15.202 2.587 -30.608 1.00 9.36 C ATOM 190 CG1 ILE A 32 -15.924 3.925 -30.788 1.00 10.86 C ATOM 191 CG2 ILE A 32 -13.944 2.742 -29.766 1.00 12.98 C ATOM 192 CD1 ILE A 32 -16.735 4.309 -29.570 1.00 10.26 C ATOM 193 H ILE A 32 -16.941 1.353 -32.167 1.00 0.00 H ATOM 194 N PHE A 33 -14.835 -0.415 -31.453 1.00 10.60 N ATOM 195 CA PHE A 33 -14.235 -1.692 -31.096 1.00 12.13 C ATOM 196 C PHE A 33 -15.254 -2.789 -31.356 1.00 11.51 C ATOM 197 O PHE A 33 -16.456 -2.590 -31.169 1.00 10.51 O ATOM 198 CB PHE A 33 -13.825 -1.721 -29.618 1.00 12.89 C ATOM 199 CG PHE A 33 -13.316 -3.064 -29.167 1.00 13.61 C ATOM 200 CD1 PHE A 33 -12.006 -3.440 -29.439 1.00 19.94 C ATOM 201 CD2 PHE A 33 -14.152 -3.961 -28.515 1.00 13.03 C ATOM 202 CE1 PHE A 33 -11.529 -4.689 -29.049 1.00 24.02 C ATOM 203 CE2 PHE A 33 -13.678 -5.216 -28.111 1.00 15.95 C ATOM 204 CZ PHE A 33 -12.361 -5.567 -28.381 1.00 17.19 C ATOM 205 H PHE A 33 -15.872 -0.334 -31.452 1.00 0.00 H ATOM 206 N GLU A 34 -14.764 -3.954 -31.786 1.00 10.40 N ATOM 207 CA GLU A 34 -15.641 -5.095 -31.999 1.00 8.41 C ATOM 208 C GLU A 34 -14.896 -6.370 -31.631 1.00 11.21 C ATOM 209 O GLU A 34 -13.739 -6.541 -32.026 1.00 12.13 O ATOM 210 CB GLU A 34 -16.082 -5.164 -33.467 1.00 10.39 C ATOM 211 CG GLU A 34 -17.039 -6.311 -33.745 1.00 11.40 C ATOM 212 CD GLU A 34 -17.733 -6.196 -35.082 1.00 11.51 C ATOM 213 OE1 GLU A 34 -17.486 -5.202 -35.802 1.00 12.05 O ATOM 214 OE2 GLU A 34 -18.528 -7.103 -35.396 1.00 12.70 O ATOM 215 H GLU A 34 -13.745 -4.047 -31.971 1.00 0.00 H ATOM 216 N ASP A 35 -15.554 -7.251 -30.880 1.00 8.30 N ATOM 217 CA ASP A 35 -15.041 -8.606 -30.671 1.00 9.72 C ATOM 218 C ASP A 35 -16.197 -9.591 -30.816 1.00 9.52 C ATOM 219 O ASP A 35 -17.297 -9.233 -31.243 1.00 10.25 O ATOM 220 CB ASP A 35 -14.197 -8.761 -29.389 1.00 9.92 C ATOM 221 CG ASP A 35 -15.004 -8.621 -28.094 1.00 11.09 C ATOM 222 OD1 ASP A 35 -16.243 -8.751 -28.102 1.00 9.48 O ATOM 223 OD2 ASP A 35 -14.360 -8.411 -27.043 1.00 13.59 O ATOM 224 H ASP A 35 -16.450 -6.971 -30.433 1.00 0.00 H ATOM 225 N ASP A 36 -15.954 -10.850 -30.447 1.00 10.49 N ATOM 226 CA ASP A 36 -16.977 -11.873 -30.620 1.00 10.97 C ATOM 227 C ASP A 36 -18.158 -11.704 -29.675 1.00 12.60 C ATOM 228 O ASP A 36 -19.227 -12.275 -29.929 1.00 12.98 O ATOM 229 CB ASP A 36 -16.360 -13.252 -30.378 1.00 9.97 C ATOM 230 CG ASP A 36 -15.790 -13.383 -28.981 1.00 13.49 C ATOM 231 OD1 ASP A 36 -14.731 -12.779 -28.727 1.00 17.35 O ATOM 232 OD2 ASP A 36 -16.390 -14.080 -28.146 1.00 14.66 O ATOM 233 H ASP A 36 -15.033 -11.102 -30.035 1.00 0.00 H ATOM 234 N ARG A 37 -17.995 -10.937 -28.593 1.00 9.98 N ATOM 235 CA ARG A 37 -19.026 -10.803 -27.575 1.00 9.76 C ATOM 236 C ARG A 37 -19.749 -9.467 -27.593 1.00 8.54 C ATOM 237 O ARG A 37 -20.862 -9.384 -27.064 1.00 10.21 O ATOM 238 CB ARG A 37 -18.421 -10.981 -26.174 1.00 9.65 C ATOM 239 CG ARG A 37 -18.206 -12.425 -25.755 1.00 12.74 C ATOM 240 CD ARG A 37 -16.929 -12.549 -24.944 1.00 13.24 C ATOM 241 NE ARG A 37 -15.752 -12.400 -25.794 1.00 15.31 N ATOM 242 CZ ARG A 37 -14.529 -12.157 -25.344 1.00 16.63 C ATOM 243 NH1 ARG A 37 -14.314 -12.016 -24.043 1.00 17.01 N ATOM 244 NH2 ARG A 37 -13.521 -12.047 -26.196 1.00 19.41 N ATOM 245 HE ARG A 37 -15.881 -12.491 -26.822 1.00 0.00 H ATOM 246 HH12 ARG A 37 -13.354 -11.825 -23.692 1.00 0.00 H ATOM 247 HH11 ARG A 37 -15.106 -12.096 -23.373 1.00 0.00 H ATOM 248 HH22 ARG A 37 -12.561 -11.856 -25.844 1.00 0.00 H ATOM 249 HH21 ARG A 37 -13.689 -12.151 -27.217 1.00 0.00 H ATOM 250 H ARG A 37 -17.101 -10.418 -28.475 1.00 0.00 H ATOM 251 N CYS A 38 -19.153 -8.426 -28.170 1.00 7.84 N ATOM 252 CA CYS A 38 -19.706 -7.087 -28.009 1.00 6.86 C ATOM 253 C CYS A 38 -19.235 -6.149 -29.110 1.00 9.32 C ATOM 254 O CYS A 38 -18.344 -6.457 -29.907 1.00 9.42 O ATOM 255 CB CYS A 38 -19.359 -6.495 -26.631 1.00 7.42 C ATOM 256 SG CYS A 38 -17.631 -6.005 -26.448 1.00 10.47 S ATOM 257 H CYS A 38 -18.292 -8.568 -28.736 1.00 0.00 H ATOM 258 N LEU A 39 -19.833 -4.961 -29.101 1.00 7.99 N ATOM 259 CA LEU A 39 -19.586 -3.932 -30.092 1.00 7.46 C ATOM 260 C LEU A 39 -19.664 -2.600 -29.366 1.00 8.79 C ATOM 261 O LEU A 39 -20.594 -2.385 -28.584 1.00 8.67 O ATOM 262 CB LEU A 39 -20.691 -3.972 -31.149 1.00 12.16 C ATOM 263 CG LEU A 39 -20.529 -3.028 -32.334 1.00 14.94 C ATOM 264 CD1 LEU A 39 -19.413 -3.547 -33.227 1.00 13.15 C ATOM 265 CD2 LEU A 39 -21.833 -2.913 -33.104 1.00 12.39 C ATOM 266 H LEU A 39 -20.515 -4.759 -28.342 1.00 0.00 H ATOM 267 N ALA A 40 -18.705 -1.713 -29.625 1.00 8.91 N ATOM 268 CA ALA A 40 -18.722 -0.356 -29.083 1.00 8.04 C ATOM 269 C ALA A 40 -18.835 0.624 -30.242 1.00 9.38 C ATOM 270 O ALA A 40 -18.076 0.530 -31.212 1.00 10.32 O ATOM 271 CB ALA A 40 -17.446 -0.074 -28.287 1.00 10.66 C ATOM 272 H ALA A 40 -17.913 -1.997 -30.237 1.00 0.00 H ATOM 273 N PHE A 41 -19.770 1.571 -30.140 1.00 8.08 N ATOM 274 CA PHE A 41 -20.012 2.502 -31.235 1.00 8.58 C ATOM 275 C PHE A 41 -20.560 3.799 -30.666 1.00 7.99 C ATOM 276 O PHE A 41 -21.161 3.822 -29.589 1.00 7.51 O ATOM 277 CB PHE A 41 -20.956 1.908 -32.300 1.00 8.12 C ATOM 278 CG PHE A 41 -22.309 1.512 -31.770 1.00 7.34 C ATOM 279 CD1 PHE A 41 -22.482 0.289 -31.120 1.00 9.64 C ATOM 280 CD2 PHE A 41 -23.405 2.352 -31.913 1.00 10.65 C ATOM 281 CE1 PHE A 41 -23.723 -0.076 -30.621 1.00 11.31 C ATOM 282 CE2 PHE A 41 -24.648 1.986 -31.422 1.00 9.74 C ATOM 283 CZ PHE A 41 -24.806 0.762 -30.767 1.00 10.32 C ATOM 284 H PHE A 41 -20.333 1.645 -29.269 1.00 0.00 H ATOM 285 N HIS A 42 -20.379 4.883 -31.416 1.00 6.86 N ATOM 286 CA HIS A 42 -20.759 6.196 -30.910 1.00 7.65 C ATOM 287 C HIS A 42 -22.271 6.379 -30.928 1.00 7.80 C ATOM 288 O HIS A 42 -22.965 5.892 -31.821 1.00 10.61 O ATOM 289 CB HIS A 42 -20.082 7.290 -31.728 1.00 7.16 C ATOM 290 CG HIS A 42 -18.604 7.344 -31.525 1.00 9.97 C ATOM 291 ND1 HIS A 42 -18.034 8.029 -30.474 1.00 9.00 N ATOM 292 CD2 HIS A 42 -17.583 6.765 -32.198 1.00 9.88 C ATOM 293 CE1 HIS A 42 -16.722 7.896 -30.527 1.00 9.40 C ATOM 294 NE2 HIS A 42 -16.421 7.131 -31.561 1.00 9.28 N ATOM 295 H HIS A 42 -19.965 4.793 -32.366 1.00 0.00 H ATOM 296 N ASP A 43 -22.778 7.115 -29.935 1.00 8.27 N ATOM 297 CA ASP A 43 -24.206 7.396 -29.853 1.00 7.47 C ATOM 298 C ASP A 43 -24.592 8.488 -30.856 1.00 9.06 C ATOM 299 O ASP A 43 -23.897 9.497 -30.997 1.00 11.71 O ATOM 300 CB ASP A 43 -24.558 7.845 -28.432 1.00 9.59 C ATOM 301 CG ASP A 43 -26.046 7.765 -28.144 1.00 11.54 C ATOM 302 OD1 ASP A 43 -26.816 8.546 -28.736 1.00 11.12 O ATOM 303 OD2 ASP A 43 -26.448 6.946 -27.296 1.00 10.43 O ATOM 304 H ASP A 43 -22.141 7.495 -29.206 1.00 0.00 H ATOM 305 N ILE A 44 -25.718 8.281 -31.548 1.00 9.81 N ATOM 306 CA ILE A 44 -26.149 9.210 -32.591 1.00 10.73 C ATOM 307 C ILE A 44 -26.666 10.529 -32.023 1.00 10.59 C ATOM 308 O ILE A 44 -26.759 11.525 -32.756 1.00 13.04 O ATOM 309 CB ILE A 44 -27.181 8.508 -33.499 1.00 13.81 C ATOM 310 CG1 ILE A 44 -27.330 9.234 -34.833 1.00 17.59 C ATOM 311 CG2 ILE A 44 -28.533 8.366 -32.795 1.00 14.55 C ATOM 312 CD1 ILE A 44 -28.134 8.436 -35.844 1.00 20.85 C ATOM 313 H ILE A 44 -26.298 7.443 -31.340 1.00 0.00 H ATOM 314 N SER A 45 -27.018 10.559 -30.739 1.00 11.45 N ATOM 315 CA SER A 45 -27.512 11.762 -30.068 1.00 10.94 C ATOM 316 C SER A 45 -26.675 11.982 -28.815 1.00 9.87 C ATOM 317 O SER A 45 -27.145 11.781 -27.686 1.00 11.25 O ATOM 318 CB SER A 45 -28.997 11.623 -29.730 1.00 12.58 C ATOM 319 OG SER A 45 -29.775 11.498 -30.913 1.00 10.94 O ATOM 320 HG SER A 45 -30.731 11.410 -30.670 1.00 0.00 H ATOM 321 H SER A 45 -26.938 9.683 -30.185 1.00 0.00 H ATOM 322 N PRO A 46 -25.415 12.382 -28.983 1.00 9.33 N ATOM 323 CA PRO A 46 -24.498 12.438 -27.835 1.00 10.80 C ATOM 324 C PRO A 46 -24.920 13.460 -26.791 1.00 11.10 C ATOM 325 O PRO A 46 -25.349 14.573 -27.111 1.00 12.80 O ATOM 326 CB PRO A 46 -23.158 12.812 -28.477 1.00 11.29 C ATOM 327 CG PRO A 46 -23.550 13.569 -29.739 1.00 12.38 C ATOM 328 CD PRO A 46 -24.773 12.833 -30.229 1.00 12.81 C ATOM 329 N GLN A 47 -24.793 13.065 -25.525 1.00 8.86 N ATOM 330 CA GLN A 47 -25.121 13.915 -24.391 1.00 11.06 C ATOM 331 C GLN A 47 -23.877 14.458 -23.710 1.00 9.82 C ATOM 332 O GLN A 47 -23.981 15.122 -22.674 1.00 10.84 O ATOM 333 CB GLN A 47 -25.963 13.132 -23.383 1.00 12.49 C ATOM 334 CG GLN A 47 -27.254 12.574 -23.961 1.00 10.91 C ATOM 335 CD GLN A 47 -28.190 13.659 -24.433 1.00 14.31 C ATOM 336 OE1 GLN A 47 -28.604 14.514 -23.655 1.00 14.77 O ATOM 337 NE2 GLN A 47 -28.526 13.639 -25.721 1.00 15.06 N ATOM 338 HE22 GLN A 47 -28.152 12.896 -26.345 1.00 0.00 H ATOM 339 HE21 GLN A 47 -29.163 14.367 -26.104 1.00 0.00 H ATOM 340 H GLN A 47 -24.443 12.104 -25.339 1.00 0.00 H ATOM 341 N ALA A 48 -22.711 14.193 -24.276 1.00 10.08 N ATOM 342 CA ALA A 48 -21.433 14.668 -23.778 1.00 9.34 C ATOM 343 C ALA A 48 -20.496 14.721 -24.967 1.00 9.81 C ATOM 344 O ALA A 48 -20.784 14.118 -26.012 1.00 9.46 O ATOM 345 CB ALA A 48 -20.888 13.735 -22.685 1.00 10.40 C ATOM 346 H ALA A 48 -22.710 13.606 -25.134 1.00 0.00 H ATOM 347 N PRO A 49 -19.381 15.445 -24.859 1.00 9.89 N ATOM 348 CA PRO A 49 -18.458 15.545 -26.002 1.00 10.68 C ATOM 349 C PRO A 49 -18.043 14.196 -26.562 1.00 11.20 C ATOM 350 O PRO A 49 -17.907 14.049 -27.786 1.00 10.63 O ATOM 351 CB PRO A 49 -17.291 16.359 -25.427 1.00 11.21 C ATOM 352 CG PRO A 49 -17.967 17.281 -24.422 1.00 11.07 C ATOM 353 CD PRO A 49 -19.064 16.423 -23.798 1.00 13.76 C ATOM 354 N THR A 50 -17.865 13.201 -25.695 1.00 7.72 N ATOM 355 CA THR A 50 -17.736 11.803 -26.092 1.00 8.04 C ATOM 356 C THR A 50 -18.875 11.026 -25.448 1.00 8.05 C ATOM 357 O THR A 50 -19.098 11.114 -24.235 1.00 7.91 O ATOM 358 CB THR A 50 -16.375 11.233 -25.675 1.00 9.66 C ATOM 359 OG1 THR A 50 -15.344 11.918 -26.397 1.00 11.99 O ATOM 360 CG2 THR A 50 -16.282 9.744 -26.022 1.00 11.42 C ATOM 361 HG1 THR A 50 -15.381 12.885 -26.186 1.00 0.00 H ATOM 362 H THR A 50 -17.815 13.432 -24.682 1.00 0.00 H ATOM 363 N HIS A 51 -19.600 10.267 -26.259 1.00 9.70 N ATOM 364 CA HIS A 51 -20.713 9.475 -25.747 1.00 8.27 C ATOM 365 C HIS A 51 -20.843 8.275 -26.672 1.00 8.69 C ATOM 366 O HIS A 51 -21.205 8.426 -27.846 1.00 8.92 O ATOM 367 CB HIS A 51 -21.985 10.321 -25.727 1.00 8.23 C ATOM 368 CG HIS A 51 -23.200 9.595 -25.240 1.00 9.03 C ATOM 369 ND1 HIS A 51 -24.437 10.195 -25.183 1.00 11.16 N ATOM 370 CD2 HIS A 51 -23.371 8.332 -24.777 1.00 8.23 C ATOM 371 CE1 HIS A 51 -25.326 9.329 -24.735 1.00 10.12 C ATOM 372 NE2 HIS A 51 -24.706 8.190 -24.476 1.00 7.91 N ATOM 373 H HIS A 51 -19.372 10.236 -27.273 1.00 0.00 H ATOM 374 N PHE A 52 -20.517 7.094 -26.155 1.00 7.09 N ATOM 375 CA PHE A 52 -20.607 5.875 -26.936 1.00 7.58 C ATOM 376 C PHE A 52 -21.357 4.803 -26.158 1.00 6.46 C ATOM 377 O PHE A 52 -21.696 4.967 -24.981 1.00 8.19 O ATOM 378 CB PHE A 52 -19.237 5.385 -27.442 1.00 8.44 C ATOM 379 CG PHE A 52 -18.260 4.987 -26.356 1.00 8.66 C ATOM 380 CD1 PHE A 52 -17.397 5.921 -25.797 1.00 10.66 C ATOM 381 CD2 PHE A 52 -18.152 3.659 -25.958 1.00 8.47 C ATOM 382 CE1 PHE A 52 -16.475 5.554 -24.824 1.00 8.90 C ATOM 383 CE2 PHE A 52 -17.226 3.282 -24.976 1.00 9.68 C ATOM 384 CZ PHE A 52 -16.390 4.235 -24.418 1.00 9.87 C ATOM 385 H PHE A 52 -20.190 7.043 -25.169 1.00 0.00 H ATOM 386 N LEU A 53 -21.628 3.706 -26.849 1.00 6.82 N ATOM 387 CA LEU A 53 -22.397 2.595 -26.325 1.00 6.46 C ATOM 388 C LEU A 53 -21.573 1.324 -26.462 1.00 7.08 C ATOM 389 O LEU A 53 -20.868 1.139 -27.460 1.00 7.74 O ATOM 390 CB LEU A 53 -23.680 2.425 -27.155 1.00 8.01 C ATOM 391 CG LEU A 53 -24.598 3.649 -27.153 1.00 8.12 C ATOM 392 CD1 LEU A 53 -25.593 3.603 -28.310 1.00 17.26 C ATOM 393 CD2 LEU A 53 -25.335 3.738 -25.823 1.00 15.02 C ATOM 394 H LEU A 53 -21.269 3.638 -27.823 1.00 0.00 H ATOM 395 N VAL A 54 -21.679 0.440 -25.473 1.00 6.92 N ATOM 396 CA VAL A 54 -21.125 -0.906 -25.571 1.00 7.52 C ATOM 397 C VAL A 54 -22.276 -1.880 -25.427 1.00 9.37 C ATOM 398 O VAL A 54 -23.014 -1.834 -24.436 1.00 9.38 O ATOM 399 CB VAL A 54 -20.033 -1.175 -24.522 1.00 8.83 C ATOM 400 CG1 VAL A 54 -19.320 -2.475 -24.852 1.00 9.82 C ATOM 401 CG2 VAL A 54 -19.026 -0.020 -24.483 1.00 9.45 C ATOM 402 H VAL A 54 -22.173 0.718 -24.601 1.00 0.00 H ATOM 403 N ILE A 55 -22.437 -2.757 -26.414 1.00 7.20 N ATOM 404 CA ILE A 55 -23.591 -3.653 -26.422 1.00 8.92 C ATOM 405 C ILE A 55 -23.132 -5.093 -26.608 1.00 8.63 C ATOM 406 O ILE A 55 -22.140 -5.342 -27.309 1.00 8.94 O ATOM 407 CB ILE A 55 -24.618 -3.265 -27.502 1.00 8.28 C ATOM 408 CG1 ILE A 55 -24.112 -3.569 -28.914 1.00 7.99 C ATOM 409 CG2 ILE A 55 -24.972 -1.780 -27.401 1.00 9.55 C ATOM 410 CD1 ILE A 55 -25.158 -3.298 -30.001 1.00 10.76 C ATOM 411 H ILE A 55 -21.739 -2.805 -27.183 1.00 0.00 H ATOM 412 N PRO A 56 -23.818 -6.063 -26.016 1.00 7.93 N ATOM 413 CA PRO A 56 -23.530 -7.462 -26.345 1.00 7.13 C ATOM 414 C PRO A 56 -24.031 -7.782 -27.742 1.00 8.59 C ATOM 415 O PRO A 56 -25.021 -7.223 -28.216 1.00 9.49 O ATOM 416 CB PRO A 56 -24.338 -8.242 -25.303 1.00 11.18 C ATOM 417 CG PRO A 56 -25.486 -7.330 -24.956 1.00 15.18 C ATOM 418 CD PRO A 56 -24.959 -5.912 -25.094 1.00 8.47 C ATOM 419 N LYS A 57 -23.352 -8.730 -28.392 1.00 9.44 N ATOM 420 CA LYS A 57 -23.903 -9.290 -29.622 1.00 9.13 C ATOM 421 C LYS A 57 -25.077 -10.223 -29.331 1.00 9.40 C ATOM 422 O LYS A 57 -26.029 -10.284 -30.118 1.00 12.24 O ATOM 423 CB LYS A 57 -22.795 -9.981 -30.423 1.00 11.13 C ATOM 424 CG LYS A 57 -21.779 -8.986 -30.990 1.00 10.29 C ATOM 425 CD LYS A 57 -20.740 -9.636 -31.891 1.00 11.97 C ATOM 426 CE LYS A 57 -19.937 -8.559 -32.621 1.00 12.25 C ATOM 427 NZ LYS A 57 -18.924 -9.161 -33.553 1.00 12.97 N ATOM 428 HZ1 LYS A 57 -18.263 -9.752 -33.010 1.00 0.00 H ATOM 429 HZ2 LYS A 57 -19.411 -9.745 -34.262 1.00 0.00 H ATOM 430 HZ3 LYS A 57 -18.399 -8.401 -34.030 1.00 0.00 H ATOM 431 H LYS A 57 -22.439 -9.066 -28.025 1.00 0.00 H ATOM 432 N LYS A 58 -25.033 -10.949 -28.216 1.00 8.72 N ATOM 433 CA LYS A 58 -26.194 -11.708 -27.767 1.00 9.33 C ATOM 434 C LYS A 58 -27.332 -10.757 -27.429 1.00 11.06 C ATOM 435 O LYS A 58 -27.132 -9.762 -26.726 1.00 11.06 O ATOM 436 CB LYS A 58 -25.822 -12.517 -26.523 1.00 12.20 C ATOM 437 CG LYS A 58 -26.981 -13.297 -25.907 1.00 12.84 C ATOM 438 CD LYS A 58 -26.565 -13.996 -24.604 1.00 15.62 C ATOM 439 CE LYS A 58 -27.752 -14.684 -23.948 1.00 19.24 C ATOM 440 NZ LYS A 58 -27.336 -15.449 -22.736 1.00 19.81 N ATOM 441 HZ1 LYS A 58 -26.642 -16.174 -23.007 1.00 0.00 H ATOM 442 HZ2 LYS A 58 -26.908 -14.798 -22.047 1.00 0.00 H ATOM 443 HZ3 LYS A 58 -28.169 -15.906 -22.313 1.00 0.00 H ATOM 444 H LYS A 58 -24.157 -10.975 -27.656 1.00 0.00 H ATOM 445 N HIS A 59 -28.532 -11.050 -27.928 1.00 9.79 N ATOM 446 CA HIS A 59 -29.673 -10.192 -27.632 1.00 9.42 C ATOM 447 C HIS A 59 -30.224 -10.501 -26.245 1.00 10.41 C ATOM 448 O HIS A 59 -30.698 -11.614 -25.988 1.00 11.99 O ATOM 449 CB HIS A 59 -30.785 -10.315 -28.672 1.00 11.89 C ATOM 450 CG HIS A 59 -31.996 -9.513 -28.313 1.00 9.19 C ATOM 451 ND1 HIS A 59 -31.996 -8.133 -28.332 1.00 9.16 N ATOM 452 CD2 HIS A 59 -33.216 -9.883 -27.855 1.00 11.73 C ATOM 453 CE1 HIS A 59 -33.173 -7.690 -27.926 1.00 10.47 C ATOM 454 NE2 HIS A 59 -33.929 -8.729 -27.626 1.00 11.00 N ATOM 455 H HIS A 59 -28.655 -11.890 -28.528 1.00 0.00 H ATOM 456 N ILE A 60 -30.141 -9.512 -25.357 1.00 9.55 N ATOM 457 CA ILE A 60 -30.808 -9.493 -24.061 1.00 9.73 C ATOM 458 C ILE A 60 -31.611 -8.202 -24.048 1.00 8.97 C ATOM 459 O ILE A 60 -31.063 -7.137 -24.353 1.00 10.65 O ATOM 460 CB ILE A 60 -29.778 -9.490 -22.911 1.00 10.93 C ATOM 461 CG1 ILE A 60 -28.825 -10.688 -23.018 1.00 11.23 C ATOM 462 CG2 ILE A 60 -30.484 -9.458 -21.561 1.00 13.82 C ATOM 463 CD1 ILE A 60 -27.628 -10.612 -22.092 1.00 15.37 C ATOM 464 H ILE A 60 -29.555 -8.690 -25.607 1.00 0.00 H ATOM 465 N SER A 61 -32.910 -8.289 -23.744 1.00 9.83 N ATOM 466 CA SER A 61 -33.761 -7.109 -23.932 1.00 12.80 C ATOM 467 C SER A 61 -33.448 -6.008 -22.925 1.00 10.02 C ATOM 468 O SER A 61 -33.528 -4.818 -23.251 1.00 11.57 O ATOM 469 CB SER A 61 -35.239 -7.488 -23.862 1.00 12.64 C ATOM 470 OG SER A 61 -35.576 -8.019 -22.596 1.00 16.47 O ATOM 471 HG SER A 61 -35.391 -7.344 -21.896 1.00 0.00 H ATOM 472 H SER A 61 -33.310 -9.178 -23.381 1.00 0.00 H ATOM 473 N GLN A 62 -33.117 -6.380 -21.695 1.00 10.19 N ATOM 474 CA GLN A 62 -32.945 -5.397 -20.634 1.00 10.98 C ATOM 475 C GLN A 62 -32.271 -6.092 -19.466 1.00 10.25 C ATOM 476 O GLN A 62 -32.361 -7.314 -19.313 1.00 11.16 O ATOM 477 CB GLN A 62 -34.289 -4.807 -20.208 1.00 12.87 C ATOM 478 CG GLN A 62 -35.318 -5.840 -19.782 1.00 12.94 C ATOM 479 CD GLN A 62 -36.730 -5.403 -20.116 1.00 20.34 C ATOM 480 OE1 GLN A 62 -37.310 -5.863 -21.096 1.00 23.33 O ATOM 481 NE2 GLN A 62 -37.282 -4.504 -19.314 1.00 16.54 N ATOM 482 HE22 GLN A 62 -36.752 -4.143 -18.495 1.00 0.00 H ATOM 483 HE21 GLN A 62 -38.245 -4.160 -19.503 1.00 0.00 H ATOM 484 H GLN A 62 -32.978 -7.389 -21.485 1.00 0.00 H ATOM 485 N ILE A 63 -31.610 -5.292 -18.624 1.00 10.45 N ATOM 486 CA ILE A 63 -30.816 -5.881 -17.551 1.00 12.27 C ATOM 487 C ILE A 63 -31.686 -6.684 -16.586 1.00 12.13 C ATOM 488 O ILE A 63 -31.227 -7.680 -16.010 1.00 12.42 O ATOM 489 CB ILE A 63 -29.964 -4.795 -16.858 1.00 12.68 C ATOM 490 CG1 ILE A 63 -28.907 -5.433 -15.953 1.00 18.49 C ATOM 491 CG2 ILE A 63 -30.833 -3.835 -16.089 1.00 14.23 C ATOM 492 CD1 ILE A 63 -27.781 -6.065 -16.719 1.00 22.14 C ATOM 493 H ILE A 63 -31.661 -4.259 -18.733 1.00 0.00 H ATOM 494 N SER A 64 -32.954 -6.292 -16.417 1.00 11.52 N ATOM 495 CA SER A 64 -33.808 -6.973 -15.448 1.00 12.28 C ATOM 496 C SER A 64 -34.047 -8.436 -15.799 1.00 13.09 C ATOM 497 O SER A 64 -34.413 -9.215 -14.913 1.00 16.52 O ATOM 498 CB SER A 64 -35.150 -6.255 -15.273 1.00 13.43 C ATOM 499 OG SER A 64 -35.896 -6.249 -16.486 1.00 12.59 O ATOM 500 HG SER A 64 -35.378 -5.782 -17.188 1.00 0.00 H ATOM 501 H SER A 64 -33.332 -5.501 -16.977 1.00 0.00 H ATOM 502 N VAL A 65 -33.853 -8.832 -17.058 1.00 13.09 N ATOM 503 CA VAL A 65 -34.064 -10.214 -17.483 1.00 13.23 C ATOM 504 C VAL A 65 -32.757 -10.941 -17.777 1.00 13.04 C ATOM 505 O VAL A 65 -32.785 -12.078 -18.256 1.00 13.78 O ATOM 506 CB VAL A 65 -35.061 -10.339 -18.650 1.00 13.95 C ATOM 507 CG1 VAL A 65 -36.385 -9.679 -18.296 1.00 18.00 C ATOM 508 CG2 VAL A 65 -34.478 -9.758 -19.930 1.00 15.82 C ATOM 509 H VAL A 65 -33.541 -8.133 -17.762 1.00 0.00 H ATOM 510 N ALA A 66 -31.611 -10.327 -17.491 1.00 11.73 N ATOM 511 CA ALA A 66 -30.346 -11.012 -17.711 1.00 11.17 C ATOM 512 C ALA A 66 -30.253 -12.247 -16.822 1.00 13.64 C ATOM 513 O ALA A 66 -30.752 -12.272 -15.691 1.00 15.81 O ATOM 514 CB ALA A 66 -29.168 -10.081 -17.427 1.00 13.32 C ATOM 515 H ALA A 66 -31.620 -9.359 -17.111 1.00 0.00 H ATOM 516 N GLU A 67 -29.622 -13.283 -17.353 1.00 13.82 N ATOM 517 CA GLU A 67 -29.480 -14.533 -16.624 1.00 14.49 C ATOM 518 C GLU A 67 -28.209 -14.520 -15.785 1.00 15.31 C ATOM 519 O GLU A 67 -27.269 -13.767 -16.044 1.00 14.10 O ATOM 520 CB GLU A 67 -29.451 -15.706 -17.601 1.00 19.40 C ATOM 521 CG GLU A 67 -30.791 -15.952 -18.260 1.00 28.75 C ATOM 522 CD GLU A 67 -30.706 -16.948 -19.392 1.00 41.97 C ATOM 523 OE1 GLU A 67 -29.849 -16.764 -20.284 1.00 42.07 O ATOM 524 OE2 GLU A 67 -31.492 -17.920 -19.381 1.00 50.00 O ATOM 525 H GLU A 67 -29.221 -13.201 -18.309 1.00 0.00 H ATOM 526 N ASP A 68 -28.185 -15.384 -14.763 1.00 15.22 N ATOM 527 CA ASP A 68 -27.001 -15.471 -13.912 1.00 16.16 C ATOM 528 C ASP A 68 -25.748 -15.756 -14.731 1.00 15.22 C ATOM 529 O ASP A 68 -24.669 -15.236 -14.424 1.00 16.50 O ATOM 530 CB ASP A 68 -27.183 -16.560 -12.852 1.00 18.33 C ATOM 531 CG ASP A 68 -28.174 -16.172 -11.772 1.00 19.42 C ATOM 532 OD1 ASP A 68 -28.819 -15.104 -11.879 1.00 19.24 O ATOM 533 OD2 ASP A 68 -28.321 -16.963 -10.813 1.00 24.28 O ATOM 534 H ASP A 68 -29.008 -15.992 -14.575 1.00 0.00 H ATOM 535 N ASP A 69 -25.861 -16.585 -15.770 1.00 14.63 N ATOM 536 CA ASP A 69 -24.676 -16.912 -16.555 1.00 16.25 C ATOM 537 C ASP A 69 -24.279 -15.805 -17.524 1.00 18.60 C ATOM 538 O ASP A 69 -23.300 -15.974 -18.256 1.00 17.54 O ATOM 539 CB ASP A 69 -24.818 -18.262 -17.266 1.00 24.05 C ATOM 540 CG ASP A 69 -26.094 -18.376 -18.068 1.00 40.33 C ATOM 541 OD1 ASP A 69 -26.555 -17.353 -18.621 1.00 38.80 O ATOM 542 OD2 ASP A 69 -26.636 -19.502 -18.148 1.00 51.23 O ATOM 543 H ASP A 69 -26.785 -16.994 -16.018 1.00 0.00 H ATOM 544 N ASP A 70 -25.011 -14.688 -17.545 1.00 13.93 N ATOM 545 CA ASP A 70 -24.612 -13.510 -18.310 1.00 13.22 C ATOM 546 C ASP A 70 -23.602 -12.631 -17.571 1.00 12.94 C ATOM 547 O ASP A 70 -23.241 -11.571 -18.087 1.00 11.84 O ATOM 548 CB ASP A 70 -25.842 -12.674 -18.685 1.00 12.83 C ATOM 549 CG ASP A 70 -26.705 -13.325 -19.755 1.00 16.42 C ATOM 550 OD1 ASP A 70 -26.154 -13.948 -20.688 1.00 15.60 O ATOM 551 OD2 ASP A 70 -27.944 -13.182 -19.673 1.00 17.45 O ATOM 552 H ASP A 70 -25.895 -14.656 -16.998 1.00 0.00 H ATOM 553 N GLU A 71 -23.153 -13.027 -16.376 1.00 13.27 N ATOM 554 CA GLU A 71 -22.295 -12.159 -15.570 1.00 11.22 C ATOM 555 C GLU A 71 -21.025 -11.761 -16.308 1.00 11.85 C ATOM 556 O GLU A 71 -20.676 -10.576 -16.367 1.00 10.84 O ATOM 557 CB GLU A 71 -21.934 -12.840 -14.246 1.00 15.39 C ATOM 558 CG GLU A 71 -22.996 -12.722 -13.197 1.00 13.70 C ATOM 559 CD GLU A 71 -22.547 -13.261 -11.849 1.00 12.14 C ATOM 560 OE1 GLU A 71 -21.402 -13.768 -11.751 1.00 18.94 O ATOM 561 OE2 GLU A 71 -23.352 -13.162 -10.909 1.00 18.08 O ATOM 562 H GLU A 71 -23.417 -13.965 -16.014 1.00 0.00 H ATOM 563 N SER A 72 -20.310 -12.740 -16.867 1.00 11.83 N ATOM 564 CA SER A 72 -19.040 -12.434 -17.514 1.00 10.56 C ATOM 565 C SER A 72 -19.237 -11.500 -18.699 1.00 9.96 C ATOM 566 O SER A 72 -18.440 -10.578 -18.911 1.00 11.38 O ATOM 567 CB SER A 72 -18.347 -13.724 -17.949 1.00 14.54 C ATOM 568 OG SER A 72 -17.972 -14.489 -16.814 1.00 16.09 O ATOM 569 HG SER A 72 -18.780 -14.717 -16.289 1.00 0.00 H ATOM 570 H SER A 72 -20.658 -13.720 -16.841 1.00 0.00 H ATOM 571 N LEU A 73 -20.303 -11.720 -19.475 1.00 10.37 N ATOM 572 CA LEU A 73 -20.588 -10.864 -20.621 1.00 10.61 C ATOM 573 C LEU A 73 -20.872 -9.433 -20.178 1.00 10.96 C ATOM 574 O LEU A 73 -20.373 -8.474 -20.782 1.00 10.10 O ATOM 575 CB LEU A 73 -21.783 -11.439 -21.375 1.00 12.28 C ATOM 576 CG LEU A 73 -22.368 -10.543 -22.465 1.00 13.48 C ATOM 577 CD1 LEU A 73 -21.352 -10.323 -23.580 1.00 12.18 C ATOM 578 CD2 LEU A 73 -23.649 -11.171 -22.986 1.00 14.99 C ATOM 579 H LEU A 73 -20.939 -12.514 -19.258 1.00 0.00 H ATOM 580 N LEU A 74 -21.682 -9.268 -19.130 1.00 8.99 N ATOM 581 CA LEU A 74 -21.984 -7.936 -18.628 1.00 9.95 C ATOM 582 C LEU A 74 -20.727 -7.237 -18.124 1.00 9.84 C ATOM 583 O LEU A 74 -20.512 -6.052 -18.409 1.00 9.64 O ATOM 584 CB LEU A 74 -23.040 -8.035 -17.527 1.00 10.15 C ATOM 585 CG LEU A 74 -24.425 -8.503 -17.981 1.00 11.60 C ATOM 586 CD1 LEU A 74 -25.333 -8.679 -16.773 1.00 16.03 C ATOM 587 CD2 LEU A 74 -25.026 -7.508 -18.962 1.00 13.12 C ATOM 588 H LEU A 74 -22.101 -10.100 -18.668 1.00 0.00 H ATOM 589 N GLY A 75 -19.889 -7.949 -17.369 1.00 9.25 N ATOM 590 CA GLY A 75 -18.624 -7.376 -16.951 1.00 8.78 C ATOM 591 C GLY A 75 -17.725 -7.044 -18.126 1.00 9.38 C ATOM 592 O GLY A 75 -16.981 -6.061 -18.096 1.00 10.72 O ATOM 593 H GLY A 75 -20.143 -8.915 -17.080 1.00 0.00 H ATOM 594 N HIS A 76 -17.773 -7.869 -19.176 1.00 9.57 N ATOM 595 CA HIS A 76 -16.982 -7.593 -20.369 1.00 8.76 C ATOM 596 C HIS A 76 -17.378 -6.264 -20.998 1.00 9.67 C ATOM 597 O HIS A 76 -16.520 -5.533 -21.510 1.00 9.62 O ATOM 598 CB HIS A 76 -17.124 -8.742 -21.367 1.00 10.58 C ATOM 599 CG HIS A 76 -16.217 -8.622 -22.553 1.00 9.38 C ATOM 600 ND1 HIS A 76 -14.844 -8.582 -22.435 1.00 12.48 N ATOM 601 CD2 HIS A 76 -16.485 -8.529 -23.877 1.00 9.06 C ATOM 602 CE1 HIS A 76 -14.304 -8.483 -23.638 1.00 13.08 C ATOM 603 NE2 HIS A 76 -15.277 -8.450 -24.530 1.00 9.67 N ATOM 604 H HIS A 76 -18.379 -8.714 -19.142 1.00 0.00 H ATOM 605 N LEU A 77 -18.669 -5.920 -20.945 1.00 8.52 N ATOM 606 CA LEU A 77 -19.083 -4.612 -21.456 1.00 8.92 C ATOM 607 C LEU A 77 -18.369 -3.480 -20.726 1.00 9.31 C ATOM 608 O LEU A 77 -17.966 -2.487 -21.346 1.00 9.26 O ATOM 609 CB LEU A 77 -20.597 -4.433 -21.326 1.00 9.23 C ATOM 610 CG LEU A 77 -21.481 -5.483 -21.990 1.00 9.75 C ATOM 611 CD1 LEU A 77 -22.941 -5.102 -21.767 1.00 12.15 C ATOM 612 CD2 LEU A 77 -21.169 -5.647 -23.479 1.00 11.38 C ATOM 613 H LEU A 77 -19.371 -6.574 -20.545 1.00 0.00 H ATOM 614 N MET A 78 -18.202 -3.618 -19.408 1.00 8.89 N ATOM 615 CA MET A 78 -17.571 -2.562 -18.626 1.00 8.37 C ATOM 616 C MET A 78 -16.071 -2.506 -18.884 1.00 9.31 C ATOM 617 O MET A 78 -15.488 -1.418 -18.950 1.00 9.76 O ATOM 618 CB MET A 78 -17.863 -2.785 -17.143 1.00 13.02 C ATOM 619 CG MET A 78 -19.306 -2.518 -16.765 1.00 12.16 C ATOM 620 SD MET A 78 -19.537 -2.497 -14.976 1.00 13.73 S ATOM 621 CE MET A 78 -21.010 -1.490 -14.832 1.00 18.72 C ATOM 622 H MET A 78 -18.525 -4.486 -18.936 1.00 0.00 H ATOM 623 N ILE A 79 -15.430 -3.666 -19.028 1.00 8.52 N ATOM 624 CA ILE A 79 -14.001 -3.693 -19.328 1.00 9.59 C ATOM 625 C ILE A 79 -13.739 -3.097 -20.703 1.00 9.60 C ATOM 626 O ILE A 79 -12.844 -2.262 -20.872 1.00 9.71 O ATOM 627 CB ILE A 79 -13.448 -5.124 -19.217 1.00 9.95 C ATOM 628 CG1 ILE A 79 -13.486 -5.603 -17.760 1.00 10.21 C ATOM 629 CG2 ILE A 79 -12.028 -5.186 -19.776 1.00 12.12 C ATOM 630 CD1 ILE A 79 -12.707 -4.730 -16.788 1.00 13.58 C ATOM 631 H ILE A 79 -15.952 -4.560 -18.926 1.00 0.00 H ATOM 632 N VAL A 80 -14.540 -3.490 -21.698 1.00 9.24 N ATOM 633 CA VAL A 80 -14.421 -2.889 -23.026 1.00 8.97 C ATOM 634 C VAL A 80 -14.708 -1.393 -22.965 1.00 9.10 C ATOM 635 O VAL A 80 -13.987 -0.587 -23.562 1.00 9.46 O ATOM 636 CB VAL A 80 -15.315 -3.634 -24.042 1.00 7.28 C ATOM 637 CG1 VAL A 80 -15.393 -2.883 -25.367 1.00 8.37 C ATOM 638 CG2 VAL A 80 -14.775 -5.043 -24.270 1.00 10.13 C ATOM 639 H VAL A 80 -15.253 -4.228 -21.527 1.00 0.00 H ATOM 640 N GLY A 81 -15.737 -1.001 -22.211 1.00 8.84 N ATOM 641 CA GLY A 81 -16.041 0.413 -22.053 1.00 9.22 C ATOM 642 C GLY A 81 -14.877 1.213 -21.497 1.00 9.94 C ATOM 643 O GLY A 81 -14.555 2.295 -21.998 1.00 9.62 O ATOM 644 H GLY A 81 -16.326 -1.712 -21.733 1.00 0.00 H ATOM 645 N LYS A 82 -14.221 0.693 -20.451 1.00 10.00 N ATOM 646 CA LYS A 82 -13.120 1.459 -19.873 1.00 11.02 C ATOM 647 C LYS A 82 -11.896 1.458 -20.785 1.00 11.79 C ATOM 648 O LYS A 82 -11.174 2.458 -20.851 1.00 12.52 O ATOM 649 CB LYS A 82 -12.817 1.013 -18.436 1.00 12.43 C ATOM 650 CG LYS A 82 -12.146 -0.336 -18.277 1.00 13.81 C ATOM 651 CD LYS A 82 -10.626 -0.181 -18.165 1.00 14.60 C ATOM 652 CE LYS A 82 -9.968 -1.507 -17.816 1.00 21.18 C ATOM 653 NZ LYS A 82 -8.484 -1.381 -17.748 1.00 22.91 N ATOM 654 HZ1 LYS A 82 -8.121 -1.066 -18.671 1.00 0.00 H ATOM 655 HZ2 LYS A 82 -8.229 -0.685 -17.018 1.00 0.00 H ATOM 656 HZ3 LYS A 82 -8.070 -2.304 -17.508 1.00 0.00 H ATOM 657 H LYS A 82 -14.489 -0.233 -20.060 1.00 0.00 H ATOM 658 N LYS A 83 -11.665 0.367 -21.516 1.00 10.35 N ATOM 659 CA LYS A 83 -10.557 0.346 -22.470 1.00 11.51 C ATOM 660 C LYS A 83 -10.797 1.321 -23.615 1.00 10.28 C ATOM 661 O LYS A 83 -9.888 2.070 -24.002 1.00 12.52 O ATOM 662 CB LYS A 83 -10.337 -1.072 -22.991 1.00 11.83 C ATOM 663 CG LYS A 83 -9.810 -2.016 -21.917 1.00 20.29 C ATOM 664 CD LYS A 83 -9.476 -3.391 -22.477 1.00 20.55 C ATOM 665 CE LYS A 83 -8.821 -4.265 -21.411 1.00 23.69 C ATOM 666 NZ LYS A 83 -8.607 -5.661 -21.907 1.00 22.44 N ATOM 667 HZ1 LYS A 83 -9.523 -6.081 -22.162 1.00 0.00 H ATOM 668 HZ2 LYS A 83 -7.989 -5.640 -22.743 1.00 0.00 H ATOM 669 HZ3 LYS A 83 -8.160 -6.229 -21.159 1.00 0.00 H ATOM 670 H LYS A 83 -12.273 -0.470 -21.408 1.00 0.00 H ATOM 671 N CYS A 84 -12.015 1.339 -24.160 1.00 9.44 N ATOM 672 CA CYS A 84 -12.333 2.300 -25.211 1.00 9.95 C ATOM 673 C CYS A 84 -12.203 3.729 -24.707 1.00 8.80 C ATOM 674 O CYS A 84 -11.735 4.609 -25.438 1.00 10.11 O ATOM 675 CB CYS A 84 -13.753 2.073 -25.722 1.00 8.49 C ATOM 676 SG CYS A 84 -13.935 0.574 -26.706 1.00 11.45 S ATOM 677 H CYS A 84 -12.739 0.667 -23.835 1.00 0.00 H ATOM 678 N ALA A 85 -12.642 3.991 -23.471 1.00 9.73 N ATOM 679 CA ALA A 85 -12.534 5.342 -22.935 1.00 9.20 C ATOM 680 C ALA A 85 -11.082 5.790 -22.890 1.00 11.35 C ATOM 681 O ALA A 85 -10.764 6.931 -23.246 1.00 12.42 O ATOM 682 CB ALA A 85 -13.173 5.412 -21.544 1.00 11.60 C ATOM 683 H ALA A 85 -13.059 3.233 -22.894 1.00 0.00 H ATOM 684 N ALA A 86 -10.185 4.898 -22.464 1.00 11.72 N ATOM 685 CA ALA A 86 -8.768 5.243 -22.441 1.00 14.46 C ATOM 686 C ALA A 86 -8.239 5.467 -23.851 1.00 14.44 C ATOM 687 O ALA A 86 -7.493 6.425 -24.095 1.00 15.78 O ATOM 688 CB ALA A 86 -7.972 4.159 -21.720 1.00 15.75 C ATOM 689 H ALA A 86 -10.496 3.957 -22.149 1.00 0.00 H ATOM 690 N ASP A 87 -8.631 4.608 -24.796 1.00 13.89 N ATOM 691 CA ASP A 87 -8.174 4.756 -26.173 1.00 14.88 C ATOM 692 C ASP A 87 -8.696 6.038 -26.805 1.00 14.04 C ATOM 693 O ASP A 87 -8.079 6.560 -27.740 1.00 15.83 O ATOM 694 CB ASP A 87 -8.617 3.557 -27.007 1.00 17.64 C ATOM 695 CG ASP A 87 -7.930 2.271 -26.594 1.00 27.87 C ATOM 696 OD1 ASP A 87 -6.906 2.338 -25.879 1.00 28.96 O ATOM 697 OD2 ASP A 87 -8.421 1.192 -26.984 1.00 31.71 O ATOM 698 H ASP A 87 -9.269 3.825 -24.547 1.00 0.00 H ATOM 699 N LEU A 88 -9.832 6.543 -26.330 1.00 11.51 N ATOM 700 CA LEU A 88 -10.388 7.806 -26.795 1.00 13.41 C ATOM 701 C LEU A 88 -9.863 9.005 -26.013 1.00 15.51 C ATOM 702 O LEU A 88 -10.323 10.129 -26.240 1.00 17.54 O ATOM 703 CB LEU A 88 -11.918 7.766 -26.745 1.00 13.43 C ATOM 704 CG LEU A 88 -12.561 6.765 -27.705 1.00 12.24 C ATOM 705 CD1 LEU A 88 -14.053 6.621 -27.420 1.00 16.08 C ATOM 706 CD2 LEU A 88 -12.323 7.165 -29.157 1.00 20.76 C ATOM 707 H LEU A 88 -10.344 6.013 -25.596 1.00 0.00 H ATOM 708 N GLY A 89 -8.913 8.797 -25.107 1.00 13.99 N ATOM 709 CA GLY A 89 -8.297 9.922 -24.427 1.00 15.02 C ATOM 710 C GLY A 89 -9.120 10.562 -23.335 1.00 17.69 C ATOM 711 O GLY A 89 -8.888 11.732 -23.016 1.00 14.42 O ATOM 712 H GLY A 89 -8.611 7.827 -24.885 1.00 0.00 H ATOM 713 N LEU A 90 -10.070 9.836 -22.738 1.00 13.26 N ATOM 714 CA LEU A 90 -10.881 10.370 -21.638 1.00 14.16 C ATOM 715 C LEU A 90 -10.127 10.264 -20.307 1.00 19.67 C ATOM 716 O LEU A 90 -10.551 9.610 -19.352 1.00 15.45 O ATOM 717 CB LEU A 90 -12.238 9.681 -21.579 1.00 14.10 C ATOM 718 CG LEU A 90 -13.069 9.809 -22.854 1.00 11.32 C ATOM 719 CD1 LEU A 90 -14.418 9.131 -22.684 1.00 12.91 C ATOM 720 CD2 LEU A 90 -13.243 11.285 -23.255 1.00 13.74 C ATOM 721 H LEU A 90 -10.240 8.863 -23.063 1.00 0.00 H ATOM 722 N ASN A 91 -8.989 10.964 -20.259 1.00 17.21 N ATOM 723 CA ASN A 91 -8.059 10.842 -19.141 1.00 16.92 C ATOM 724 C ASN A 91 -8.567 11.497 -17.862 1.00 16.83 C ATOM 725 O ASN A 91 -8.043 11.203 -16.782 1.00 17.56 O ATOM 726 CB ASN A 91 -6.674 11.381 -19.530 1.00 16.55 C ATOM 727 CG ASN A 91 -6.723 12.794 -20.104 1.00 16.26 C ATOM 728 OD1 ASN A 91 -7.441 13.661 -19.606 1.00 17.27 O ATOM 729 ND2 ASN A 91 -5.942 13.032 -21.155 1.00 17.69 N ATOM 730 HD22 ASN A 91 -5.350 12.271 -21.546 1.00 0.00 H ATOM 731 HD21 ASN A 91 -5.924 13.979 -21.585 1.00 0.00 H ATOM 732 H ASN A 91 -8.760 11.613 -21.039 1.00 0.00 H ATOM 733 N LYS A 92 -9.567 12.371 -17.952 1.00 13.54 N ATOM 734 CA LYS A 92 -10.141 12.998 -16.769 1.00 13.42 C ATOM 735 C LYS A 92 -11.330 12.230 -16.210 1.00 12.18 C ATOM 736 O LYS A 92 -11.860 12.615 -15.163 1.00 14.60 O ATOM 737 CB LYS A 92 -10.546 14.448 -17.052 1.00 17.38 C ATOM 738 CG LYS A 92 -9.373 15.392 -17.243 1.00 26.92 C ATOM 739 CD LYS A 92 -9.850 16.833 -17.380 1.00 32.15 C ATOM 740 CE LYS A 92 -10.648 17.277 -16.161 1.00 35.79 C ATOM 741 NZ LYS A 92 -9.836 17.278 -14.904 1.00 43.01 N ATOM 742 HZ1 LYS A 92 -9.483 16.317 -14.720 1.00 0.00 H ATOM 743 HZ2 LYS A 92 -9.032 17.929 -15.012 1.00 0.00 H ATOM 744 HZ3 LYS A 92 -10.430 17.588 -14.109 1.00 0.00 H ATOM 745 H LYS A 92 -9.948 12.612 -18.889 1.00 0.00 H ATOM 746 N GLY A 93 -11.762 11.165 -16.873 1.00 11.71 N ATOM 747 CA GLY A 93 -12.798 10.295 -16.354 1.00 13.55 C ATOM 748 C GLY A 93 -14.021 10.269 -17.248 1.00 10.12 C ATOM 749 O GLY A 93 -14.042 10.831 -18.347 1.00 10.78 O ATOM 750 H GLY A 93 -11.342 10.947 -17.799 1.00 0.00 H ATOM 751 N TYR A 94 -15.063 9.606 -16.753 1.00 7.80 N ATOM 752 CA TYR A 94 -16.255 9.326 -17.548 1.00 8.39 C ATOM 753 C TYR A 94 -17.301 8.703 -16.633 1.00 8.85 C ATOM 754 O TYR A 94 -17.014 8.349 -15.486 1.00 8.91 O ATOM 755 CB TYR A 94 -15.942 8.390 -18.730 1.00 8.87 C ATOM 756 CG TYR A 94 -15.081 7.209 -18.355 1.00 8.16 C ATOM 757 CD1 TYR A 94 -15.642 6.034 -17.853 1.00 9.76 C ATOM 758 CD2 TYR A 94 -13.695 7.266 -18.488 1.00 10.44 C ATOM 759 CE1 TYR A 94 -14.838 4.955 -17.500 1.00 8.94 C ATOM 760 CE2 TYR A 94 -12.890 6.201 -18.139 1.00 12.04 C ATOM 761 CZ TYR A 94 -13.462 5.049 -17.644 1.00 10.46 C ATOM 762 OH TYR A 94 -12.655 3.977 -17.293 1.00 13.00 O ATOM 763 HH TYR A 94 -12.147 3.674 -18.087 1.00 0.00 H ATOM 764 H TYR A 94 -15.027 9.276 -15.767 1.00 0.00 H ATOM 765 N ARG A 95 -18.520 8.585 -17.153 1.00 8.49 N ATOM 766 CA ARG A 95 -19.640 7.970 -16.454 1.00 7.96 C ATOM 767 C ARG A 95 -20.197 6.840 -17.307 1.00 5.75 C ATOM 768 O ARG A 95 -20.408 7.010 -18.514 1.00 6.73 O ATOM 769 CB ARG A 95 -20.737 9.002 -16.170 1.00 8.56 C ATOM 770 CG ARG A 95 -22.012 8.398 -15.586 1.00 8.37 C ATOM 771 CD ARG A 95 -22.902 9.468 -14.992 1.00 8.79 C ATOM 772 NE ARG A 95 -22.214 10.116 -13.879 1.00 8.40 N ATOM 773 CZ ARG A 95 -22.530 11.305 -13.382 1.00 10.00 C ATOM 774 NH1 ARG A 95 -23.547 12.006 -13.885 1.00 8.82 N ATOM 775 NH2 ARG A 95 -21.823 11.789 -12.371 1.00 8.79 N ATOM 776 HE ARG A 95 -21.418 9.608 -13.444 1.00 0.00 H ATOM 777 HH12 ARG A 95 -23.784 12.937 -13.486 1.00 0.00 H ATOM 778 HH11 ARG A 95 -24.103 11.622 -14.676 1.00 0.00 H ATOM 779 HH22 ARG A 95 -22.058 12.719 -11.970 1.00 0.00 H ATOM 780 HH21 ARG A 95 -21.033 11.238 -11.978 1.00 0.00 H ATOM 781 H ARG A 95 -18.682 8.952 -18.112 1.00 0.00 H ATOM 782 N MET A 96 -20.435 5.695 -16.676 1.00 7.21 N ATOM 783 CA MET A 96 -21.064 4.550 -17.320 1.00 6.22 C ATOM 784 C MET A 96 -22.489 4.420 -16.798 1.00 6.95 C ATOM 785 O MET A 96 -22.726 4.552 -15.595 1.00 8.43 O ATOM 786 CB MET A 96 -20.303 3.272 -16.990 1.00 8.18 C ATOM 787 CG MET A 96 -18.877 3.278 -17.483 1.00 9.93 C ATOM 788 SD MET A 96 -18.050 1.750 -16.995 1.00 12.36 S ATOM 789 CE MET A 96 -16.800 1.617 -18.268 1.00 14.17 C ATOM 790 H MET A 96 -20.160 5.613 -15.677 1.00 0.00 H ATOM 791 N VAL A 97 -23.439 4.156 -17.697 1.00 6.68 N ATOM 792 CA VAL A 97 -24.860 4.157 -17.344 1.00 7.72 C ATOM 793 C VAL A 97 -25.561 2.979 -18.011 1.00 7.83 C ATOM 794 O VAL A 97 -25.395 2.756 -19.213 1.00 8.08 O ATOM 795 CB VAL A 97 -25.544 5.470 -17.776 1.00 9.63 C ATOM 796 CG1 VAL A 97 -27.008 5.461 -17.344 1.00 11.18 C ATOM 797 CG2 VAL A 97 -24.830 6.674 -17.188 1.00 10.90 C ATOM 798 H VAL A 97 -23.162 3.943 -18.677 1.00 0.00 H ATOM 799 N VAL A 98 -26.369 2.246 -17.244 1.00 8.42 N ATOM 800 CA VAL A 98 -27.318 1.278 -17.795 1.00 7.00 C ATOM 801 C VAL A 98 -28.717 1.734 -17.412 1.00 9.32 C ATOM 802 O VAL A 98 -28.995 1.959 -16.228 1.00 10.91 O ATOM 803 CB VAL A 98 -27.069 -0.153 -17.281 1.00 9.49 C ATOM 804 CG1 VAL A 98 -28.107 -1.114 -17.884 1.00 12.87 C ATOM 805 CG2 VAL A 98 -25.657 -0.604 -17.601 1.00 9.47 C ATOM 806 H VAL A 98 -26.323 2.367 -16.212 1.00 0.00 H ATOM 807 N ASN A 99 -29.594 1.870 -18.402 1.00 9.75 N ATOM 808 CA ASN A 99 -30.974 2.281 -18.175 1.00 9.12 C ATOM 809 C ASN A 99 -31.876 1.059 -18.241 1.00 11.87 C ATOM 810 O ASN A 99 -31.773 0.267 -19.182 1.00 13.04 O ATOM 811 CB ASN A 99 -31.413 3.279 -19.246 1.00 10.82 C ATOM 812 CG ASN A 99 -30.646 4.579 -19.186 1.00 11.84 C ATOM 813 OD1 ASN A 99 -30.184 4.984 -18.126 1.00 11.11 O ATOM 814 ND2 ASN A 99 -30.529 5.256 -20.325 1.00 12.15 N ATOM 815 HD22 ASN A 99 -30.937 4.873 -21.202 1.00 0.00 H ATOM 816 HD21 ASN A 99 -30.029 6.168 -20.339 1.00 0.00 H ATOM 817 H ASN A 99 -29.284 1.676 -19.375 1.00 0.00 H ATOM 818 N GLU A 100 -32.755 0.903 -17.249 1.00 11.23 N ATOM 819 CA GLU A 100 -33.724 -0.188 -17.221 1.00 10.28 C ATOM 820 C GLU A 100 -35.144 0.363 -17.258 1.00 11.76 C ATOM 821 O GLU A 100 -35.551 1.116 -16.364 1.00 11.85 O ATOM 822 CB GLU A 100 -33.546 -1.061 -15.977 1.00 10.78 C ATOM 823 CG GLU A 100 -34.745 -1.973 -15.686 1.00 12.55 C ATOM 824 CD GLU A 100 -34.923 -3.110 -16.685 1.00 15.98 C ATOM 825 OE1 GLU A 100 -33.916 -3.582 -17.238 1.00 13.41 O ATOM 826 OE2 GLU A 100 -36.078 -3.553 -16.894 1.00 15.53 O ATOM 827 H GLU A 100 -32.749 1.586 -16.465 1.00 0.00 H ATOM 828 N GLY A 101 -35.901 -0.033 -18.275 1.00 11.60 N ATOM 829 CA GLY A 101 -37.325 0.223 -18.258 1.00 13.64 C ATOM 830 C GLY A 101 -37.684 1.697 -18.345 1.00 11.86 C ATOM 831 O GLY A 101 -36.868 2.565 -18.685 1.00 12.26 O ATOM 832 H GLY A 101 -35.471 -0.527 -19.083 1.00 0.00 H ATOM 833 N SER A 102 -38.947 1.972 -18.002 1.00 14.28 N ATOM 834 CA SER A 102 -39.515 3.296 -18.234 1.00 12.59 C ATOM 835 C SER A 102 -38.910 4.338 -17.300 1.00 12.74 C ATOM 836 O SER A 102 -38.499 5.416 -17.743 1.00 13.72 O ATOM 837 CB SER A 102 -41.036 3.243 -18.072 1.00 16.62 C ATOM 838 OG SER A 102 -41.600 4.527 -18.265 1.00 23.99 O ATOM 839 HG SER A 102 -41.226 5.154 -17.596 1.00 0.00 H ATOM 840 H SER A 102 -39.532 1.232 -17.564 1.00 0.00 H ATOM 841 N ASP A 103 -38.861 4.040 -15.997 1.00 13.94 N ATOM 842 CA ASP A 103 -38.257 4.983 -15.055 1.00 12.50 C ATOM 843 C ASP A 103 -36.760 5.144 -15.296 1.00 11.56 C ATOM 844 O ASP A 103 -36.194 6.194 -14.976 1.00 12.08 O ATOM 845 CB ASP A 103 -38.481 4.524 -13.613 1.00 12.97 C ATOM 846 CG ASP A 103 -39.822 4.955 -13.053 1.00 21.57 C ATOM 847 OD1 ASP A 103 -40.573 5.660 -13.755 1.00 19.65 O ATOM 848 OD2 ASP A 103 -40.113 4.600 -11.891 1.00 18.60 O ATOM 849 H ASP A 103 -39.252 3.139 -15.654 1.00 0.00 H ATOM 850 N GLY A 104 -36.101 4.114 -15.832 1.00 11.56 N ATOM 851 CA GLY A 104 -34.694 4.227 -16.167 1.00 11.66 C ATOM 852 C GLY A 104 -34.409 4.992 -17.436 1.00 11.87 C ATOM 853 O GLY A 104 -33.243 5.291 -17.716 1.00 13.77 O ATOM 854 H GLY A 104 -36.602 3.220 -16.011 1.00 0.00 H ATOM 855 N GLY A 105 -35.440 5.319 -18.213 1.00 11.47 N ATOM 856 CA GLY A 105 -35.229 6.020 -19.460 1.00 13.18 C ATOM 857 C GLY A 105 -34.786 5.143 -20.607 1.00 12.52 C ATOM 858 O GLY A 105 -34.196 5.647 -21.566 1.00 14.31 O ATOM 859 H GLY A 105 -36.406 5.068 -17.920 1.00 0.00 H ATOM 860 N GLN A 106 -35.043 3.838 -20.536 1.00 12.15 N ATOM 861 CA GLN A 106 -34.653 2.947 -21.621 1.00 11.42 C ATOM 862 C GLN A 106 -35.540 3.157 -22.849 1.00 13.18 C ATOM 863 O GLN A 106 -36.772 3.137 -22.755 1.00 15.19 O ATOM 864 CB GLN A 106 -34.725 1.497 -21.142 1.00 11.72 C ATOM 865 CG GLN A 106 -34.229 0.507 -22.189 1.00 11.02 C ATOM 866 CD GLN A 106 -34.012 -0.901 -21.645 1.00 11.43 C ATOM 867 OE1 GLN A 106 -34.465 -1.251 -20.550 1.00 11.30 O ATOM 868 NE2 GLN A 106 -33.321 -1.728 -22.430 1.00 11.05 N ATOM 869 HE22 GLN A 106 -32.957 -1.394 -23.345 1.00 0.00 H ATOM 870 HE21 GLN A 106 -33.146 -2.708 -22.127 1.00 0.00 H ATOM 871 H GLN A 106 -35.526 3.452 -19.700 1.00 0.00 H ATOM 872 N SER A 107 -34.911 3.346 -24.011 1.00 10.91 N ATOM 873 CA SER A 107 -35.637 3.542 -25.262 1.00 10.61 C ATOM 874 C SER A 107 -35.353 2.483 -26.311 1.00 13.41 C ATOM 875 O SER A 107 -36.089 2.410 -27.301 1.00 14.34 O ATOM 876 CB SER A 107 -35.345 4.929 -25.862 1.00 15.23 C ATOM 877 OG SER A 107 -33.962 5.080 -26.144 1.00 16.66 O ATOM 878 HG SER A 107 -33.801 5.978 -26.528 1.00 0.00 H ATOM 879 H SER A 107 -33.871 3.354 -24.025 1.00 0.00 H ATOM 880 N VAL A 108 -34.308 1.681 -26.139 1.00 10.48 N ATOM 881 CA VAL A 108 -33.993 0.568 -27.030 1.00 8.67 C ATOM 882 C VAL A 108 -33.863 -0.666 -26.156 1.00 10.04 C ATOM 883 O VAL A 108 -33.051 -0.684 -25.221 1.00 10.17 O ATOM 884 CB VAL A 108 -32.696 0.799 -27.823 1.00 11.05 C ATOM 885 CG1 VAL A 108 -32.366 -0.431 -28.667 1.00 12.22 C ATOM 886 CG2 VAL A 108 -32.824 2.032 -28.726 1.00 11.05 C ATOM 887 H VAL A 108 -33.682 1.855 -25.327 1.00 0.00 H ATOM 888 N TYR A 109 -34.667 -1.688 -26.446 1.00 8.52 N ATOM 889 CA TYR A 109 -34.705 -2.892 -25.616 1.00 8.61 C ATOM 890 C TYR A 109 -33.731 -3.958 -26.128 1.00 9.05 C ATOM 891 O TYR A 109 -34.082 -5.062 -26.546 1.00 9.70 O ATOM 892 CB TYR A 109 -36.142 -3.376 -25.424 1.00 11.91 C ATOM 893 CG TYR A 109 -36.824 -2.505 -24.392 1.00 11.48 C ATOM 894 CD1 TYR A 109 -37.391 -1.288 -24.742 1.00 12.48 C ATOM 895 CD2 TYR A 109 -36.817 -2.863 -23.054 1.00 11.07 C ATOM 896 CE1 TYR A 109 -37.975 -0.465 -23.781 1.00 11.01 C ATOM 897 CE2 TYR A 109 -37.388 -2.056 -22.092 1.00 12.20 C ATOM 898 CZ TYR A 109 -37.970 -0.866 -22.455 1.00 11.97 C ATOM 899 OH TYR A 109 -38.536 -0.070 -21.471 1.00 16.89 O ATOM 900 HH TYR A 109 -38.912 0.747 -21.885 1.00 0.00 H ATOM 901 H TYR A 109 -35.282 -1.628 -27.282 1.00 0.00 H ATOM 902 N HIS A 110 -32.461 -3.564 -26.074 1.00 9.05 N ATOM 903 CA HIS A 110 -31.297 -4.425 -26.228 1.00 8.21 C ATOM 904 C HIS A 110 -30.279 -3.860 -25.248 1.00 9.60 C ATOM 905 O HIS A 110 -29.985 -2.659 -25.302 1.00 8.89 O ATOM 906 CB HIS A 110 -30.777 -4.353 -27.672 1.00 10.47 C ATOM 907 CG HIS A 110 -29.592 -5.227 -27.952 1.00 8.32 C ATOM 908 ND1 HIS A 110 -29.694 -6.415 -28.650 1.00 10.96 N ATOM 909 CD2 HIS A 110 -28.275 -5.063 -27.678 1.00 9.14 C ATOM 910 CE1 HIS A 110 -28.492 -6.951 -28.778 1.00 12.14 C ATOM 911 NE2 HIS A 110 -27.613 -6.151 -28.196 1.00 9.24 N ATOM 912 H HIS A 110 -32.285 -2.553 -25.907 1.00 0.00 H ATOM 913 N VAL A 111 -29.795 -4.702 -24.328 1.00 10.21 N ATOM 914 CA VAL A 111 -28.952 -4.231 -23.227 1.00 9.56 C ATOM 915 C VAL A 111 -27.801 -3.399 -23.764 1.00 9.50 C ATOM 916 O VAL A 111 -27.172 -3.754 -24.766 1.00 10.11 O ATOM 917 CB VAL A 111 -28.432 -5.434 -22.418 1.00 10.98 C ATOM 918 CG1 VAL A 111 -27.223 -5.037 -21.552 1.00 16.65 C ATOM 919 CG2 VAL A 111 -29.532 -5.988 -21.559 1.00 14.31 C ATOM 920 H VAL A 111 -30.023 -5.714 -24.396 1.00 0.00 H ATOM 921 N HIS A 112 -27.513 -2.279 -23.092 1.00 9.52 N ATOM 922 CA HIS A 112 -26.426 -1.437 -23.567 1.00 8.70 C ATOM 923 C HIS A 112 -25.855 -0.614 -22.420 1.00 8.66 C ATOM 924 O HIS A 112 -26.574 -0.224 -21.494 1.00 10.29 O ATOM 925 CB HIS A 112 -26.875 -0.531 -24.724 1.00 10.66 C ATOM 926 CG HIS A 112 -28.015 0.383 -24.385 1.00 9.20 C ATOM 927 ND1 HIS A 112 -29.330 -0.032 -24.365 1.00 10.83 N ATOM 928 CD2 HIS A 112 -28.030 1.700 -24.066 1.00 12.55 C ATOM 929 CE1 HIS A 112 -30.108 0.993 -24.056 1.00 11.92 C ATOM 930 NE2 HIS A 112 -29.342 2.054 -23.863 1.00 13.01 N ATOM 931 H HIS A 112 -28.056 -2.015 -22.245 1.00 0.00 H ATOM 932 N LEU A 113 -24.551 -0.359 -22.498 1.00 6.95 N ATOM 933 CA LEU A 113 -23.842 0.467 -21.527 1.00 7.19 C ATOM 934 C LEU A 113 -23.472 1.787 -22.200 1.00 7.22 C ATOM 935 O LEU A 113 -22.750 1.793 -23.201 1.00 7.92 O ATOM 936 CB LEU A 113 -22.576 -0.272 -21.088 1.00 9.15 C ATOM 937 CG LEU A 113 -21.677 0.408 -20.070 1.00 10.07 C ATOM 938 CD1 LEU A 113 -22.329 0.374 -18.684 1.00 11.58 C ATOM 939 CD2 LEU A 113 -20.287 -0.243 -20.069 1.00 13.12 C ATOM 940 H LEU A 113 -24.012 -0.768 -23.288 1.00 0.00 H ATOM 941 N HIS A 114 -23.975 2.899 -21.661 1.00 7.19 N ATOM 942 CA HIS A 114 -23.543 4.224 -22.109 1.00 7.55 C ATOM 943 C HIS A 114 -22.215 4.561 -21.450 1.00 6.44 C ATOM 944 O HIS A 114 -22.016 4.276 -20.267 1.00 7.46 O ATOM 945 CB HIS A 114 -24.534 5.297 -21.655 1.00 7.80 C ATOM 946 CG HIS A 114 -25.885 5.202 -22.286 1.00 6.95 C ATOM 947 ND1 HIS A 114 -26.269 5.994 -23.349 1.00 8.66 N ATOM 948 CD2 HIS A 114 -26.949 4.423 -21.992 1.00 10.25 C ATOM 949 CE1 HIS A 114 -27.509 5.694 -23.690 1.00 8.43 C ATOM 950 NE2 HIS A 114 -27.947 4.748 -22.878 1.00 10.00 N ATOM 951 H HIS A 114 -24.688 2.823 -20.908 1.00 0.00 H ATOM 952 N VAL A 115 -21.325 5.218 -22.191 1.00 6.98 N ATOM 953 CA VAL A 115 -20.098 5.783 -21.628 1.00 7.73 C ATOM 954 C VAL A 115 -20.020 7.232 -22.080 1.00 6.97 C ATOM 955 O VAL A 115 -20.013 7.505 -23.286 1.00 7.70 O ATOM 956 CB VAL A 115 -18.844 5.003 -22.066 1.00 6.97 C ATOM 957 CG1 VAL A 115 -17.592 5.561 -21.364 1.00 10.24 C ATOM 958 CG2 VAL A 115 -18.999 3.513 -21.766 1.00 8.57 C ATOM 959 H VAL A 115 -21.509 5.334 -23.208 1.00 0.00 H ATOM 960 N LEU A 116 -19.983 8.155 -21.122 1.00 6.17 N ATOM 961 CA LEU A 116 -20.009 9.584 -21.414 1.00 7.09 C ATOM 962 C LEU A 116 -18.820 10.279 -20.764 1.00 7.84 C ATOM 963 O LEU A 116 -18.511 10.034 -19.594 1.00 7.81 O ATOM 964 CB LEU A 116 -21.296 10.229 -20.866 1.00 10.41 C ATOM 965 CG LEU A 116 -22.631 9.620 -21.299 1.00 10.07 C ATOM 966 CD1 LEU A 116 -23.153 8.631 -20.256 1.00 9.66 C ATOM 967 CD2 LEU A 116 -23.644 10.722 -21.578 1.00 12.18 C ATOM 968 H LEU A 116 -19.934 7.847 -20.130 1.00 0.00 H ATOM 969 N GLY A 117 -18.179 11.174 -21.503 1.00 8.63 N ATOM 970 CA GLY A 117 -17.094 11.935 -20.929 1.00 8.99 C ATOM 971 C GLY A 117 -16.745 13.128 -21.790 1.00 7.84 C ATOM 972 O GLY A 117 -17.476 13.488 -22.715 1.00 9.76 O ATOM 973 H GLY A 117 -18.457 11.328 -22.493 1.00 0.00 H ATOM 974 N GLY A 118 -15.587 13.716 -21.484 1.00 8.23 N ATOM 975 CA GLY A 118 -15.147 14.936 -22.136 1.00 9.55 C ATOM 976 C GLY A 118 -15.748 16.206 -21.581 1.00 11.79 C ATOM 977 O GLY A 118 -15.523 17.280 -22.153 1.00 11.87 O ATOM 978 H GLY A 118 -14.981 13.287 -20.756 1.00 0.00 H ATOM 979 N ARG A 119 -16.532 16.110 -20.508 1.00 8.21 N ATOM 980 CA ARG A 119 -17.014 17.259 -19.757 1.00 8.55 C ATOM 981 C ARG A 119 -17.242 16.791 -18.329 1.00 9.59 C ATOM 982 O ARG A 119 -17.265 15.589 -18.041 1.00 9.56 O ATOM 983 CB ARG A 119 -18.316 17.830 -20.335 1.00 9.81 C ATOM 984 CG ARG A 119 -19.529 16.912 -20.185 1.00 12.15 C ATOM 985 CD ARG A 119 -20.819 17.675 -20.454 1.00 12.85 C ATOM 986 NE ARG A 119 -22.004 16.822 -20.590 1.00 12.44 N ATOM 987 CZ ARG A 119 -22.780 16.428 -19.583 1.00 10.91 C ATOM 988 NH1 ARG A 119 -22.496 16.785 -18.334 1.00 10.74 N ATOM 989 NH2 ARG A 119 -23.843 15.665 -19.811 1.00 12.16 N ATOM 990 HE ARG A 119 -22.257 16.500 -21.546 1.00 0.00 H ATOM 991 HH12 ARG A 119 -23.107 16.473 -17.552 1.00 0.00 H ATOM 992 HH11 ARG A 119 -21.663 17.376 -18.139 1.00 0.00 H ATOM 993 HH22 ARG A 119 -24.445 15.361 -19.019 1.00 0.00 H ATOM 994 HH21 ARG A 119 -24.074 15.371 -20.782 1.00 0.00 H ATOM 995 H ARG A 119 -16.815 15.161 -20.190 1.00 0.00 H ATOM 996 N GLN A 120 -17.401 17.752 -17.428 1.00 10.79 N ATOM 997 CA GLN A 120 -17.789 17.425 -16.065 1.00 9.03 C ATOM 998 C GLN A 120 -19.209 16.875 -16.066 1.00 10.54 C ATOM 999 O GLN A 120 -20.138 17.543 -16.534 1.00 11.49 O ATOM 1000 CB GLN A 120 -17.736 18.682 -15.200 1.00 8.98 C ATOM 1001 CG GLN A 120 -18.171 18.419 -13.761 1.00 9.91 C ATOM 1002 CD GLN A 120 -17.178 17.543 -13.030 1.00 10.72 C ATOM 1003 OE1 GLN A 120 -16.047 17.954 -12.803 1.00 13.21 O ATOM 1004 NE2 GLN A 120 -17.575 16.309 -12.704 1.00 10.28 N ATOM 1005 HE22 GLN A 120 -18.546 16.002 -12.916 1.00 0.00 H ATOM 1006 HE21 GLN A 120 -16.913 15.656 -12.238 1.00 0.00 H ATOM 1007 H GLN A 120 -17.247 18.745 -17.698 1.00 0.00 H ATOM 1008 N MET A 121 -19.379 15.647 -15.569 1.00 8.60 N ATOM 1009 CA MET A 121 -20.715 15.110 -15.357 1.00 7.89 C ATOM 1010 C MET A 121 -21.239 15.556 -13.998 1.00 9.16 C ATOM 1011 O MET A 121 -20.476 15.718 -13.040 1.00 10.31 O ATOM 1012 CB MET A 121 -20.686 13.580 -15.422 1.00 9.02 C ATOM 1013 CG MET A 121 -20.074 13.052 -16.724 1.00 9.99 C ATOM 1014 SD MET A 121 -20.945 13.521 -18.246 1.00 10.43 S ATOM 1015 CE MET A 121 -22.526 12.720 -17.980 1.00 11.39 C ATOM 1016 H MET A 121 -18.548 15.069 -15.331 1.00 0.00 H ATOM 1017 N HIS A 122 -22.553 15.755 -13.923 1.00 8.92 N ATOM 1018 CA HIS A 122 -23.189 16.358 -12.756 1.00 10.82 C ATOM 1019 C HIS A 122 -23.918 15.303 -11.930 1.00 10.30 C ATOM 1020 O HIS A 122 -24.167 14.183 -12.374 1.00 9.87 O ATOM 1021 CB HIS A 122 -24.187 17.444 -13.177 1.00 10.80 C ATOM 1022 CG HIS A 122 -23.609 18.509 -14.061 1.00 12.15 C ATOM 1023 ND1 HIS A 122 -22.363 19.065 -13.859 1.00 14.44 N ATOM 1024 CD2 HIS A 122 -24.109 19.100 -15.171 1.00 21.10 C ATOM 1025 CE1 HIS A 122 -22.130 19.967 -14.798 1.00 14.58 C ATOM 1026 NE2 HIS A 122 -23.172 20.005 -15.607 1.00 27.86 N ATOM 1027 H HIS A 122 -23.149 15.470 -14.726 1.00 0.00 H ATOM 1028 N TRP A 123 -24.292 15.696 -10.715 1.00 9.61 N ATOM 1029 CA TRP A 123 -25.034 14.827 -9.807 1.00 10.24 C ATOM 1030 C TRP A 123 -26.305 15.567 -9.406 1.00 13.15 C ATOM 1031 O TRP A 123 -26.258 16.774 -9.175 1.00 13.42 O ATOM 1032 CB TRP A 123 -24.183 14.512 -8.580 1.00 11.86 C ATOM 1033 CG TRP A 123 -24.509 13.219 -7.893 1.00 11.40 C ATOM 1034 CD1 TRP A 123 -24.971 13.058 -6.613 1.00 10.70 C ATOM 1035 CD2 TRP A 123 -24.390 11.905 -8.443 1.00 9.95 C ATOM 1036 NE1 TRP A 123 -25.138 11.722 -6.336 1.00 11.08 N ATOM 1037 CE2 TRP A 123 -24.787 10.993 -7.442 1.00 11.04 C ATOM 1038 CE3 TRP A 123 -23.976 11.410 -9.682 1.00 11.12 C ATOM 1039 CZ2 TRP A 123 -24.794 9.612 -7.645 1.00 11.50 C ATOM 1040 CZ3 TRP A 123 -23.979 10.035 -9.883 1.00 10.34 C ATOM 1041 CH2 TRP A 123 -24.388 9.157 -8.873 1.00 11.89 C ATOM 1042 HE1 TRP A 123 -25.476 11.329 -5.434 1.00 0.00 H ATOM 1043 H TRP A 123 -24.047 16.657 -10.401 1.00 0.00 H ATOM 1044 N PRO A 124 -27.457 14.878 -9.357 1.00 10.68 N ATOM 1045 CA PRO A 124 -27.664 13.444 -9.608 1.00 9.68 C ATOM 1046 C PRO A 124 -27.529 13.100 -11.088 1.00 10.00 C ATOM 1047 O PRO A 124 -27.546 13.991 -11.941 1.00 10.54 O ATOM 1048 CB PRO A 124 -29.114 13.229 -9.167 1.00 13.12 C ATOM 1049 CG PRO A 124 -29.771 14.545 -9.447 1.00 14.25 C ATOM 1050 CD PRO A 124 -28.728 15.565 -9.059 1.00 13.03 C ATOM 1051 N PRO A 125 -27.389 11.798 -11.393 1.00 8.95 N ATOM 1052 CA PRO A 125 -27.206 11.366 -12.796 1.00 9.00 C ATOM 1053 C PRO A 125 -28.549 11.235 -13.506 1.00 10.27 C ATOM 1054 O PRO A 125 -28.992 10.135 -13.910 1.00 11.18 O ATOM 1055 CB PRO A 125 -26.508 10.013 -12.621 1.00 9.34 C ATOM 1056 CG PRO A 125 -27.162 9.458 -11.394 1.00 11.88 C ATOM 1057 CD PRO A 125 -27.359 10.654 -10.463 1.00 9.97 C ATOM 1058 N GLY A 126 -29.221 12.367 -13.673 1.00 10.87 N ATOM 1059 CA GLY A 126 -30.599 12.384 -14.119 1.00 12.13 C ATOM 1060 C GLY A 126 -31.575 12.185 -12.977 1.00 11.85 C ATOM 1061 O GLY A 126 -32.772 11.962 -13.195 1.00 12.84 O ATOM 1062 OXT GLY A 126 -31.191 12.250 -11.802 1.00 14.93 O ATOM 1063 H GLY A 126 -28.743 13.270 -13.478 1.00 0.00 H TER 1064 GLY A 126 ATOM 1065 N GLY B 15 -4.886 2.773 -0.335 1.00 51.26 N ATOM 1066 CA GLY B 15 -5.434 3.384 0.861 1.00 44.24 C ATOM 1067 C GLY B 15 -6.860 2.954 1.157 1.00 37.24 C ATOM 1068 O GLY B 15 -7.639 2.684 0.245 1.00 35.69 O ATOM 1069 HN3 GLY B 15 -5.469 3.035 -1.155 1.00 0.00 H ATOM 1070 HN2 GLY B 15 -4.885 1.739 -0.225 1.00 0.00 H ATOM 1071 HN1 GLY B 15 -3.912 3.108 -0.479 1.00 0.00 H ATOM 1072 N ASP B 16 -7.203 2.898 2.441 1.00 28.39 N ATOM 1073 CA ASP B 16 -8.540 2.503 2.854 1.00 26.99 C ATOM 1074 C ASP B 16 -9.540 3.610 2.532 1.00 23.98 C ATOM 1075 O ASP B 16 -9.181 4.778 2.347 1.00 24.89 O ATOM 1076 CB ASP B 16 -8.553 2.222 4.355 1.00 19.31 C ATOM 1077 CG ASP B 16 -9.818 1.517 4.813 1.00 24.95 C ATOM 1078 OD1 ASP B 16 -10.310 0.626 4.085 1.00 25.84 O ATOM 1079 OD2 ASP B 16 -10.316 1.860 5.909 1.00 29.00 O ATOM 1080 H ASP B 16 -6.499 3.142 3.166 1.00 0.00 H ATOM 1081 N THR B 17 -10.812 3.227 2.442 1.00 14.79 N ATOM 1082 CA THR B 17 -11.897 4.179 2.238 1.00 13.22 C ATOM 1083 C THR B 17 -13.026 3.864 3.204 1.00 12.69 C ATOM 1084 O THR B 17 -13.043 2.826 3.871 1.00 11.07 O ATOM 1085 CB THR B 17 -12.469 4.121 0.812 1.00 11.61 C ATOM 1086 OG1 THR B 17 -13.269 2.936 0.661 1.00 14.40 O ATOM 1087 CG2 THR B 17 -11.359 4.119 -0.230 1.00 14.87 C ATOM 1088 HG1 THR B 17 -12.707 2.137 0.823 1.00 0.00 H ATOM 1089 H THR B 17 -11.039 2.215 2.520 1.00 0.00 H ATOM 1090 N ILE B 18 -14.013 4.757 3.228 1.00 9.99 N ATOM 1091 CA ILE B 18 -15.192 4.543 4.057 1.00 8.83 C ATOM 1092 C ILE B 18 -15.952 3.290 3.634 1.00 10.68 C ATOM 1093 O ILE B 18 -16.591 2.632 4.465 1.00 10.09 O ATOM 1094 CB ILE B 18 -16.065 5.819 4.077 1.00 9.81 C ATOM 1095 CG1 ILE B 18 -17.130 5.716 5.173 1.00 12.91 C ATOM 1096 CG2 ILE B 18 -16.682 6.082 2.695 1.00 11.24 C ATOM 1097 CD1 ILE B 18 -17.751 7.056 5.570 1.00 12.05 C ATOM 1098 H ILE B 18 -13.942 5.617 2.648 1.00 0.00 H ATOM 1099 N PHE B 19 -15.892 2.926 2.350 1.00 8.13 N ATOM 1100 CA PHE B 19 -16.536 1.681 1.936 1.00 8.87 C ATOM 1101 C PHE B 19 -15.803 0.460 2.485 1.00 11.94 C ATOM 1102 O PHE B 19 -16.435 -0.571 2.750 1.00 10.49 O ATOM 1103 CB PHE B 19 -16.661 1.620 0.415 1.00 11.36 C ATOM 1104 CG PHE B 19 -17.653 2.604 -0.161 1.00 10.35 C ATOM 1105 CD1 PHE B 19 -18.491 3.361 0.652 1.00 10.45 C ATOM 1106 CD2 PHE B 19 -17.761 2.745 -1.533 1.00 9.85 C ATOM 1107 CE1 PHE B 19 -19.402 4.257 0.101 1.00 9.67 C ATOM 1108 CE2 PHE B 19 -18.673 3.643 -2.081 1.00 10.82 C ATOM 1109 CZ PHE B 19 -19.489 4.387 -1.265 1.00 9.88 C ATOM 1110 H PHE B 19 -15.395 3.519 1.656 1.00 0.00 H ATOM 1111 N GLY B 20 -14.482 0.552 2.663 1.00 9.97 N ATOM 1112 CA GLY B 20 -13.770 -0.515 3.350 1.00 9.72 C ATOM 1113 C GLY B 20 -14.245 -0.675 4.779 1.00 11.91 C ATOM 1114 O GLY B 20 -14.432 -1.794 5.257 1.00 10.83 O ATOM 1115 H GLY B 20 -13.965 1.383 2.312 1.00 0.00 H ATOM 1116 N LYS B 21 -14.467 0.445 5.474 1.00 11.54 N ATOM 1117 CA LYS B 21 -15.010 0.382 6.826 1.00 8.85 C ATOM 1118 C LYS B 21 -16.391 -0.257 6.841 1.00 11.56 C ATOM 1119 O LYS B 21 -16.734 -0.991 7.773 1.00 11.54 O ATOM 1120 CB LYS B 21 -15.078 1.787 7.424 1.00 10.07 C ATOM 1121 CG LYS B 21 -13.719 2.395 7.725 1.00 12.97 C ATOM 1122 CD LYS B 21 -13.870 3.826 8.230 1.00 16.87 C ATOM 1123 CE LYS B 21 -12.558 4.369 8.744 1.00 27.87 C ATOM 1124 NZ LYS B 21 -12.220 3.782 10.067 1.00 35.73 N ATOM 1125 HZ1 LYS B 21 -12.969 4.016 10.750 1.00 0.00 H ATOM 1126 HZ2 LYS B 21 -12.141 2.749 9.977 1.00 0.00 H ATOM 1127 HZ3 LYS B 21 -11.314 4.172 10.397 1.00 0.00 H ATOM 1128 H LYS B 21 -14.251 1.368 5.047 1.00 0.00 H ATOM 1129 N ILE B 22 -17.205 0.026 5.826 1.00 9.70 N ATOM 1130 CA ILE B 22 -18.539 -0.554 5.757 1.00 6.88 C ATOM 1131 C ILE B 22 -18.458 -2.060 5.532 1.00 8.84 C ATOM 1132 O ILE B 22 -19.166 -2.830 6.190 1.00 9.47 O ATOM 1133 CB ILE B 22 -19.378 0.174 4.688 1.00 8.21 C ATOM 1134 CG1 ILE B 22 -19.757 1.576 5.188 1.00 10.04 C ATOM 1135 CG2 ILE B 22 -20.610 -0.635 4.332 1.00 10.14 C ATOM 1136 CD1 ILE B 22 -20.447 2.450 4.130 1.00 13.10 C ATOM 1137 H ILE B 22 -16.884 0.669 5.074 1.00 0.00 H ATOM 1138 N ILE B 23 -17.582 -2.494 4.618 1.00 8.12 N ATOM 1139 CA ILE B 23 -17.368 -3.925 4.379 1.00 8.32 C ATOM 1140 C ILE B 23 -16.928 -4.620 5.658 1.00 11.23 C ATOM 1141 O ILE B 23 -17.360 -5.744 5.958 1.00 11.71 O ATOM 1142 CB ILE B 23 -16.331 -4.129 3.260 1.00 9.91 C ATOM 1143 CG1 ILE B 23 -16.896 -3.729 1.899 1.00 12.05 C ATOM 1144 CG2 ILE B 23 -15.841 -5.585 3.221 1.00 12.58 C ATOM 1145 CD1 ILE B 23 -15.807 -3.505 0.889 1.00 14.35 C ATOM 1146 H ILE B 23 -17.040 -1.800 4.064 1.00 0.00 H ATOM 1147 N ARG B 24 -16.049 -3.975 6.422 1.00 8.49 N ATOM 1148 CA ARG B 24 -15.510 -4.572 7.638 1.00 9.25 C ATOM 1149 C ARG B 24 -16.452 -4.451 8.828 1.00 10.38 C ATOM 1150 O ARG B 24 -16.105 -4.924 9.919 1.00 11.27 O ATOM 1151 CB ARG B 24 -14.144 -3.959 7.956 1.00 9.77 C ATOM 1152 CG ARG B 24 -13.085 -4.268 6.895 1.00 12.63 C ATOM 1153 CD ARG B 24 -11.683 -3.902 7.356 1.00 12.73 C ATOM 1154 NE ARG B 24 -11.570 -2.495 7.728 1.00 14.31 N ATOM 1155 CZ ARG B 24 -11.262 -1.524 6.874 1.00 18.44 C ATOM 1156 NH1 ARG B 24 -11.033 -1.811 5.598 1.00 17.66 N ATOM 1157 NH2 ARG B 24 -11.180 -0.271 7.303 1.00 21.69 N ATOM 1158 HE ARG B 24 -11.741 -2.237 8.721 1.00 0.00 H ATOM 1159 HH12 ARG B 24 -10.792 -1.052 4.929 1.00 0.00 H ATOM 1160 HH11 ARG B 24 -11.095 -2.795 5.267 1.00 0.00 H ATOM 1161 HH22 ARG B 24 -10.939 0.492 6.638 1.00 0.00 H ATOM 1162 HH21 ARG B 24 -11.356 -0.052 8.304 1.00 0.00 H ATOM 1163 H ARG B 24 -15.739 -3.022 6.145 1.00 0.00 H ATOM 1164 N LYS B 25 -17.634 -3.855 8.636 1.00 9.44 N ATOM 1165 CA LYS B 25 -18.655 -3.673 9.663 1.00 10.04 C ATOM 1166 C LYS B 25 -18.197 -2.745 10.777 1.00 11.80 C ATOM 1167 O LYS B 25 -18.711 -2.815 11.901 1.00 11.65 O ATOM 1168 CB LYS B 25 -19.196 -5.000 10.218 1.00 10.68 C ATOM 1169 CG LYS B 25 -19.493 -6.026 9.123 1.00 11.00 C ATOM 1170 CD LYS B 25 -20.527 -5.506 8.120 1.00 12.49 C ATOM 1171 CE LYS B 25 -20.652 -6.426 6.899 1.00 13.35 C ATOM 1172 NZ LYS B 25 -21.006 -7.837 7.263 1.00 16.87 N ATOM 1173 HZ1 LYS B 25 -20.268 -8.230 7.881 1.00 0.00 H ATOM 1174 HZ2 LYS B 25 -21.919 -7.847 7.762 1.00 0.00 H ATOM 1175 HZ3 LYS B 25 -21.076 -8.410 6.398 1.00 0.00 H ATOM 1176 H LYS B 25 -17.841 -3.494 7.683 1.00 0.00 H ATOM 1177 N GLU B 26 -17.248 -1.860 10.471 1.00 10.34 N ATOM 1178 CA GLU B 26 -16.731 -0.928 11.466 1.00 10.60 C ATOM 1179 C GLU B 26 -17.611 0.299 11.642 1.00 13.48 C ATOM 1180 O GLU B 26 -17.548 0.937 12.701 1.00 15.27 O ATOM 1181 CB GLU B 26 -15.309 -0.501 11.102 1.00 11.67 C ATOM 1182 CG GLU B 26 -14.298 -1.633 11.138 1.00 13.38 C ATOM 1183 CD GLU B 26 -12.954 -1.230 10.562 1.00 18.23 C ATOM 1184 OE1 GLU B 26 -12.821 -0.078 10.097 1.00 20.91 O ATOM 1185 OE2 GLU B 26 -12.025 -2.061 10.567 1.00 18.17 O ATOM 1186 H GLU B 26 -16.869 -1.834 9.503 1.00 0.00 H ATOM 1187 N ILE B 27 -18.406 0.657 10.639 1.00 14.22 N ATOM 1188 CA ILE B 27 -19.400 1.719 10.790 1.00 15.53 C ATOM 1189 C ILE B 27 -20.730 1.201 10.260 1.00 14.10 C ATOM 1190 O ILE B 27 -20.746 0.291 9.417 1.00 14.74 O ATOM 1191 CB ILE B 27 -18.977 3.014 10.081 1.00 15.06 C ATOM 1192 CG1 ILE B 27 -18.890 2.788 8.580 1.00 13.90 C ATOM 1193 CG2 ILE B 27 -17.646 3.511 10.617 1.00 15.62 C ATOM 1194 CD1 ILE B 27 -18.840 4.070 7.795 1.00 15.99 C ATOM 1195 H ILE B 27 -18.319 0.170 9.724 1.00 0.00 H ATOM 1196 N PRO B 28 -21.859 1.728 10.721 1.00 13.46 N ATOM 1197 CA PRO B 28 -23.144 1.176 10.288 1.00 18.63 C ATOM 1198 C PRO B 28 -23.498 1.568 8.863 1.00 13.26 C ATOM 1199 O PRO B 28 -23.097 2.619 8.347 1.00 14.26 O ATOM 1200 CB PRO B 28 -24.145 1.770 11.286 1.00 23.67 C ATOM 1201 CG PRO B 28 -23.484 2.987 11.813 1.00 23.21 C ATOM 1202 CD PRO B 28 -22.015 2.679 11.836 1.00 16.78 C ATOM 1203 N ALA B 29 -24.258 0.681 8.233 1.00 14.03 N ATOM 1204 CA ALA B 29 -24.871 0.908 6.937 1.00 11.54 C ATOM 1205 C ALA B 29 -26.103 0.021 6.882 1.00 12.61 C ATOM 1206 O ALA B 29 -26.166 -1.008 7.560 1.00 15.75 O ATOM 1207 CB ALA B 29 -23.916 0.559 5.794 1.00 16.68 C ATOM 1208 H ALA B 29 -24.425 -0.235 8.697 1.00 0.00 H ATOM 1209 N LYS B 30 -27.089 0.434 6.093 1.00 12.96 N ATOM 1210 CA LYS B 30 -28.326 -0.331 5.933 1.00 11.76 C ATOM 1211 C LYS B 30 -28.080 -1.339 4.819 1.00 12.22 C ATOM 1212 O LYS B 30 -28.249 -1.047 3.633 1.00 11.60 O ATOM 1213 CB LYS B 30 -29.489 0.598 5.614 1.00 15.88 C ATOM 1214 CG LYS B 30 -29.698 1.699 6.655 1.00 20.62 C ATOM 1215 CD LYS B 30 -30.516 2.852 6.084 1.00 30.96 C ATOM 1216 CE LYS B 30 -30.768 3.938 7.121 1.00 38.93 C ATOM 1217 NZ LYS B 30 -31.550 5.065 6.533 1.00 43.25 N ATOM 1218 HZ1 LYS B 30 -31.019 5.477 5.739 1.00 0.00 H ATOM 1219 HZ2 LYS B 30 -32.466 4.709 6.192 1.00 0.00 H ATOM 1220 HZ3 LYS B 30 -31.708 5.792 7.260 1.00 0.00 H ATOM 1221 H LYS B 30 -26.978 1.328 5.573 1.00 0.00 H ATOM 1222 N ILE B 31 -27.671 -2.536 5.210 1.00 12.49 N ATOM 1223 CA ILE B 31 -27.269 -3.571 4.259 1.00 11.34 C ATOM 1224 C ILE B 31 -28.507 -4.214 3.654 1.00 13.98 C ATOM 1225 O ILE B 31 -29.450 -4.583 4.369 1.00 16.03 O ATOM 1226 CB ILE B 31 -26.369 -4.615 4.940 1.00 12.14 C ATOM 1227 CG1 ILE B 31 -25.063 -3.962 5.413 1.00 15.18 C ATOM 1228 CG2 ILE B 31 -26.082 -5.780 3.988 1.00 14.29 C ATOM 1229 CD1 ILE B 31 -24.181 -4.877 6.255 1.00 22.48 C ATOM 1230 H ILE B 31 -27.634 -2.747 6.228 1.00 0.00 H ATOM 1231 N ILE B 32 -28.506 -4.341 2.331 1.00 10.94 N ATOM 1232 CA ILE B 32 -29.579 -4.986 1.590 1.00 11.58 C ATOM 1233 C ILE B 32 -29.253 -6.440 1.303 1.00 12.65 C ATOM 1234 O ILE B 32 -30.120 -7.308 1.401 1.00 16.81 O ATOM 1235 CB ILE B 32 -29.812 -4.214 0.273 1.00 12.07 C ATOM 1236 CG1 ILE B 32 -30.282 -2.796 0.570 1.00 13.47 C ATOM 1237 CG2 ILE B 32 -30.809 -4.947 -0.625 1.00 13.80 C ATOM 1238 CD1 ILE B 32 -30.021 -1.845 -0.568 1.00 14.38 C ATOM 1239 H ILE B 32 -27.698 -3.960 1.799 1.00 0.00 H ATOM 1240 N PHE B 33 -28.003 -6.712 0.945 1.00 10.83 N ATOM 1241 CA PHE B 33 -27.597 -8.048 0.541 1.00 8.93 C ATOM 1242 C PHE B 33 -26.093 -8.154 0.705 1.00 9.67 C ATOM 1243 O PHE B 33 -25.368 -7.179 0.507 1.00 10.26 O ATOM 1244 CB PHE B 33 -27.971 -8.322 -0.917 1.00 12.26 C ATOM 1245 CG PHE B 33 -27.456 -9.639 -1.424 1.00 13.57 C ATOM 1246 CD1 PHE B 33 -28.077 -10.819 -1.058 1.00 19.76 C ATOM 1247 CD2 PHE B 33 -26.326 -9.699 -2.225 1.00 11.44 C ATOM 1248 CE1 PHE B 33 -27.593 -12.036 -1.507 1.00 18.09 C ATOM 1249 CE2 PHE B 33 -25.840 -10.914 -2.672 1.00 13.19 C ATOM 1250 CZ PHE B 33 -26.478 -12.076 -2.315 1.00 15.74 C ATOM 1251 H PHE B 33 -27.296 -5.949 0.954 1.00 0.00 H ATOM 1252 N GLU B 34 -25.626 -9.354 1.044 1.00 11.15 N ATOM 1253 CA GLU B 34 -24.196 -9.604 1.117 1.00 8.59 C ATOM 1254 C GLU B 34 -23.950 -11.031 0.655 1.00 11.11 C ATOM 1255 O GLU B 34 -24.787 -11.913 0.875 1.00 14.53 O ATOM 1256 CB GLU B 34 -23.669 -9.413 2.549 1.00 10.28 C ATOM 1257 CG GLU B 34 -22.158 -9.506 2.688 1.00 9.84 C ATOM 1258 CD GLU B 34 -21.666 -9.110 4.076 1.00 11.79 C ATOM 1259 OE1 GLU B 34 -22.509 -8.790 4.935 1.00 16.16 O ATOM 1260 OE2 GLU B 34 -20.437 -9.130 4.280 1.00 15.99 O ATOM 1261 H GLU B 34 -26.293 -10.122 1.259 1.00 0.00 H ATOM 1262 N ASP B 35 -22.820 -11.245 -0.009 1.00 9.17 N ATOM 1263 CA ASP B 35 -22.337 -12.604 -0.272 1.00 10.22 C ATOM 1264 C ASP B 35 -20.839 -12.640 0.028 1.00 10.45 C ATOM 1265 O ASP B 35 -20.314 -11.783 0.749 1.00 10.31 O ATOM 1266 CB ASP B 35 -22.816 -13.154 -1.634 1.00 9.27 C ATOM 1267 CG ASP B 35 -22.249 -12.394 -2.832 1.00 12.61 C ATOM 1268 OD1 ASP B 35 -21.214 -11.706 -2.706 1.00 9.88 O ATOM 1269 OD2 ASP B 35 -22.840 -12.532 -3.925 1.00 10.41 O ATOM 1270 H ASP B 35 -22.267 -10.433 -0.349 1.00 0.00 H ATOM 1271 N ASP B 36 -20.136 -13.638 -0.511 1.00 9.47 N ATOM 1272 CA ASP B 36 -18.700 -13.777 -0.264 1.00 8.45 C ATOM 1273 C ASP B 36 -17.852 -12.770 -1.030 1.00 10.81 C ATOM 1274 O ASP B 36 -16.654 -12.656 -0.750 1.00 12.08 O ATOM 1275 CB ASP B 36 -18.221 -15.214 -0.551 1.00 9.66 C ATOM 1276 CG ASP B 36 -18.387 -15.609 -2.005 1.00 13.53 C ATOM 1277 OD1 ASP B 36 -19.162 -14.943 -2.723 1.00 11.15 O ATOM 1278 OD2 ASP B 36 -17.754 -16.604 -2.428 1.00 12.43 O ATOM 1279 H ASP B 36 -20.618 -14.331 -1.119 1.00 0.00 H ATOM 1280 N ARG B 37 -18.434 -12.036 -1.979 1.00 9.16 N ATOM 1281 CA ARG B 37 -17.632 -11.204 -2.863 1.00 8.10 C ATOM 1282 C ARG B 37 -18.198 -9.810 -3.094 1.00 7.90 C ATOM 1283 O ARG B 37 -17.564 -9.024 -3.807 1.00 9.53 O ATOM 1284 CB ARG B 37 -17.384 -11.915 -4.218 1.00 9.60 C ATOM 1285 CG ARG B 37 -18.651 -12.211 -5.001 1.00 8.95 C ATOM 1286 CD ARG B 37 -18.412 -13.307 -6.040 1.00 11.00 C ATOM 1287 NE ARG B 37 -18.192 -14.592 -5.378 1.00 11.06 N ATOM 1288 CZ ARG B 37 -17.732 -15.685 -5.982 1.00 12.44 C ATOM 1289 NH1 ARG B 37 -17.423 -15.655 -7.274 1.00 14.68 N ATOM 1290 NH2 ARG B 37 -17.573 -16.809 -5.286 1.00 11.16 N ATOM 1291 HE ARG B 37 -18.410 -14.656 -4.363 1.00 0.00 H ATOM 1292 HH12 ARG B 37 -17.064 -16.511 -7.743 1.00 0.00 H ATOM 1293 HH11 ARG B 37 -17.540 -14.775 -7.816 1.00 0.00 H ATOM 1294 HH22 ARG B 37 -17.214 -17.665 -5.755 1.00 0.00 H ATOM 1295 HH21 ARG B 37 -17.808 -16.831 -4.273 1.00 0.00 H ATOM 1296 H ARG B 37 -19.468 -12.058 -2.088 1.00 0.00 H ATOM 1297 N CYS B 38 -19.366 -9.482 -2.551 1.00 8.24 N ATOM 1298 CA CYS B 38 -19.907 -8.139 -2.737 1.00 7.67 C ATOM 1299 C CYS B 38 -20.872 -7.805 -1.610 1.00 8.52 C ATOM 1300 O CYS B 38 -21.254 -8.659 -0.800 1.00 9.05 O ATOM 1301 CB CYS B 38 -20.586 -7.986 -4.108 1.00 10.10 C ATOM 1302 SG CYS B 38 -22.190 -8.824 -4.253 1.00 10.64 S ATOM 1303 H CYS B 38 -19.895 -10.183 -1.993 1.00 0.00 H ATOM 1304 N LEU B 39 -21.253 -6.528 -1.567 1.00 8.46 N ATOM 1305 CA LEU B 39 -22.122 -6.008 -0.525 1.00 8.54 C ATOM 1306 C LEU B 39 -23.001 -4.945 -1.160 1.00 9.12 C ATOM 1307 O LEU B 39 -22.501 -4.100 -1.910 1.00 10.93 O ATOM 1308 CB LEU B 39 -21.275 -5.374 0.591 1.00 13.36 C ATOM 1309 CG LEU B 39 -22.018 -4.820 1.801 1.00 12.77 C ATOM 1310 CD1 LEU B 39 -22.622 -5.974 2.599 1.00 10.75 C ATOM 1311 CD2 LEU B 39 -21.074 -3.984 2.668 1.00 15.09 C ATOM 1312 H LEU B 39 -20.916 -5.880 -2.307 1.00 0.00 H ATOM 1313 N ALA B 40 -24.296 -4.986 -0.867 1.00 8.74 N ATOM 1314 CA ALA B 40 -25.233 -3.972 -1.336 1.00 9.86 C ATOM 1315 C ALA B 40 -25.840 -3.273 -0.132 1.00 10.32 C ATOM 1316 O ALA B 40 -26.254 -3.934 0.827 1.00 10.71 O ATOM 1317 CB ALA B 40 -26.342 -4.589 -2.192 1.00 10.39 C ATOM 1318 H ALA B 40 -24.654 -5.768 -0.283 1.00 0.00 H ATOM 1319 N PHE B 41 -25.902 -1.944 -0.187 1.00 11.39 N ATOM 1320 CA PHE B 41 -26.386 -1.164 0.943 1.00 11.15 C ATOM 1321 C PHE B 41 -26.949 0.158 0.445 1.00 10.34 C ATOM 1322 O PHE B 41 -26.556 0.657 -0.611 1.00 8.68 O ATOM 1323 CB PHE B 41 -25.285 -0.930 1.996 1.00 10.62 C ATOM 1324 CG PHE B 41 -24.033 -0.279 1.449 1.00 10.22 C ATOM 1325 CD1 PHE B 41 -23.033 -1.036 0.852 1.00 13.02 C ATOM 1326 CD2 PHE B 41 -23.853 1.092 1.556 1.00 10.21 C ATOM 1327 CE1 PHE B 41 -21.878 -0.434 0.359 1.00 12.54 C ATOM 1328 CE2 PHE B 41 -22.704 1.698 1.076 1.00 10.99 C ATOM 1329 CZ PHE B 41 -21.715 0.939 0.471 1.00 12.24 C ATOM 1330 H PHE B 41 -25.599 -1.454 -1.053 1.00 0.00 H ATOM 1331 N HIS B 42 -27.878 0.727 1.211 1.00 10.82 N ATOM 1332 CA HIS B 42 -28.497 1.977 0.796 1.00 10.21 C ATOM 1333 C HIS B 42 -27.501 3.123 0.890 1.00 10.46 C ATOM 1334 O HIS B 42 -26.686 3.191 1.813 1.00 12.01 O ATOM 1335 CB HIS B 42 -29.711 2.277 1.670 1.00 12.97 C ATOM 1336 CG HIS B 42 -30.843 1.322 1.471 1.00 12.38 C ATOM 1337 ND1 HIS B 42 -31.775 1.471 0.467 1.00 14.13 N ATOM 1338 CD2 HIS B 42 -31.187 0.197 2.144 1.00 14.09 C ATOM 1339 CE1 HIS B 42 -32.651 0.483 0.536 1.00 13.71 C ATOM 1340 NE2 HIS B 42 -32.324 -0.296 1.551 1.00 13.70 N ATOM 1341 H HIS B 42 -28.161 0.278 2.105 1.00 0.00 H ATOM 1342 N ASP B 43 -27.575 4.031 -0.077 1.00 11.06 N ATOM 1343 CA ASP B 43 -26.681 5.180 -0.100 1.00 10.88 C ATOM 1344 C ASP B 43 -27.092 6.192 0.968 1.00 12.16 C ATOM 1345 O ASP B 43 -28.278 6.472 1.163 1.00 14.55 O ATOM 1346 CB ASP B 43 -26.718 5.825 -1.484 1.00 9.93 C ATOM 1347 CG ASP B 43 -25.576 6.800 -1.713 1.00 15.93 C ATOM 1348 OD1 ASP B 43 -24.622 6.445 -2.436 1.00 33.70 O ATOM 1349 OD2 ASP B 43 -25.627 7.928 -1.188 1.00 12.54 O ATOM 1350 H ASP B 43 -28.283 3.919 -0.830 1.00 0.00 H ATOM 1351 N ILE B 44 -26.095 6.739 1.663 1.00 9.24 N ATOM 1352 CA ILE B 44 -26.368 7.690 2.741 1.00 9.98 C ATOM 1353 C ILE B 44 -26.849 9.049 2.228 1.00 14.16 C ATOM 1354 O ILE B 44 -27.436 9.827 2.992 1.00 13.85 O ATOM 1355 CB ILE B 44 -25.127 7.816 3.637 1.00 11.60 C ATOM 1356 CG1 ILE B 44 -25.489 8.529 4.948 1.00 15.40 C ATOM 1357 CG2 ILE B 44 -24.022 8.550 2.897 1.00 15.40 C ATOM 1358 CD1 ILE B 44 -24.498 8.336 6.065 1.00 19.84 C ATOM 1359 H ILE B 44 -25.112 6.487 1.437 1.00 0.00 H ATOM 1360 N SER B 45 -26.605 9.370 0.957 1.00 11.17 N ATOM 1361 CA SER B 45 -27.058 10.620 0.350 1.00 13.82 C ATOM 1362 C SER B 45 -27.917 10.279 -0.862 1.00 11.92 C ATOM 1363 O SER B 45 -27.499 10.472 -2.010 1.00 14.57 O ATOM 1364 CB SER B 45 -25.878 11.502 -0.052 1.00 14.36 C ATOM 1365 OG SER B 45 -26.331 12.766 -0.514 1.00 14.72 O ATOM 1366 HG SER B 45 -26.838 13.217 0.207 1.00 0.00 H ATOM 1367 H SER B 45 -26.068 8.700 0.371 1.00 0.00 H ATOM 1368 N PRO B 46 -29.126 9.768 -0.638 1.00 11.06 N ATOM 1369 CA PRO B 46 -29.917 9.238 -1.756 1.00 12.59 C ATOM 1370 C PRO B 46 -30.396 10.328 -2.702 1.00 12.14 C ATOM 1371 O PRO B 46 -30.812 11.410 -2.278 1.00 15.58 O ATOM 1372 CB PRO B 46 -31.092 8.545 -1.059 1.00 14.70 C ATOM 1373 CG PRO B 46 -31.227 9.287 0.266 1.00 13.39 C ATOM 1374 CD PRO B 46 -29.807 9.595 0.663 1.00 13.23 C ATOM 1375 N GLN B 47 -30.336 10.019 -4.001 1.00 11.21 N ATOM 1376 CA GLN B 47 -30.751 10.926 -5.066 1.00 13.56 C ATOM 1377 C GLN B 47 -32.055 10.508 -5.721 1.00 11.66 C ATOM 1378 O GLN B 47 -32.449 11.112 -6.724 1.00 13.69 O ATOM 1379 CB GLN B 47 -29.667 11.000 -6.146 1.00 14.09 C ATOM 1380 CG GLN B 47 -28.309 11.361 -5.608 1.00 16.49 C ATOM 1381 CD GLN B 47 -28.282 12.768 -5.083 1.00 17.25 C ATOM 1382 OE1 GLN B 47 -28.554 13.717 -5.819 1.00 22.01 O ATOM 1383 NE2 GLN B 47 -27.977 12.920 -3.797 1.00 21.11 N ATOM 1384 HE22 GLN B 47 -27.754 12.088 -3.214 1.00 0.00 H ATOM 1385 HE21 GLN B 47 -27.962 13.870 -3.375 1.00 0.00 H ATOM 1386 H GLN B 47 -29.974 9.081 -4.267 1.00 0.00 H ATOM 1387 N ALA B 48 -32.706 9.471 -5.206 1.00 11.49 N ATOM 1388 CA ALA B 48 -33.987 8.980 -5.681 1.00 12.26 C ATOM 1389 C ALA B 48 -34.646 8.257 -4.517 1.00 13.40 C ATOM 1390 O ALA B 48 -33.984 7.965 -3.515 1.00 14.38 O ATOM 1391 CB ALA B 48 -33.800 8.021 -6.868 1.00 13.60 C ATOM 1392 H ALA B 48 -32.266 8.975 -4.405 1.00 0.00 H ATOM 1393 N PRO B 49 -35.952 7.980 -4.601 1.00 14.89 N ATOM 1394 CA PRO B 49 -36.616 7.298 -3.477 1.00 16.24 C ATOM 1395 C PRO B 49 -35.967 5.978 -3.102 1.00 14.20 C ATOM 1396 O PRO B 49 -35.947 5.614 -1.917 1.00 16.44 O ATOM 1397 CB PRO B 49 -38.059 7.138 -3.971 1.00 15.99 C ATOM 1398 CG PRO B 49 -38.249 8.306 -4.874 1.00 16.89 C ATOM 1399 CD PRO B 49 -36.928 8.475 -5.590 1.00 16.03 C ATOM 1400 N THR B 50 -35.413 5.260 -4.075 1.00 13.15 N ATOM 1401 CA THR B 50 -34.527 4.132 -3.819 1.00 12.56 C ATOM 1402 C THR B 50 -33.182 4.450 -4.454 1.00 11.82 C ATOM 1403 O THR B 50 -33.111 4.770 -5.645 1.00 11.98 O ATOM 1404 CB THR B 50 -35.100 2.839 -4.399 1.00 15.25 C ATOM 1405 OG1 THR B 50 -36.335 2.532 -3.739 1.00 16.31 O ATOM 1406 CG2 THR B 50 -34.121 1.691 -4.210 1.00 15.11 C ATOM 1407 HG1 THR B 50 -36.976 3.273 -3.880 1.00 0.00 H ATOM 1408 H THR B 50 -35.621 5.515 -5.062 1.00 0.00 H ATOM 1409 N HIS B 51 -32.125 4.394 -3.654 1.00 10.99 N ATOM 1410 CA HIS B 51 -30.779 4.642 -4.152 1.00 9.73 C ATOM 1411 C HIS B 51 -29.838 3.811 -3.295 1.00 10.31 C ATOM 1412 O HIS B 51 -29.628 4.121 -2.117 1.00 10.62 O ATOM 1413 CB HIS B 51 -30.438 6.130 -4.098 1.00 10.01 C ATOM 1414 CG HIS B 51 -29.066 6.455 -4.606 1.00 10.48 C ATOM 1415 ND1 HIS B 51 -28.583 7.747 -4.655 1.00 11.29 N ATOM 1416 CD2 HIS B 51 -28.086 5.668 -5.114 1.00 10.98 C ATOM 1417 CE1 HIS B 51 -27.353 7.737 -5.140 1.00 12.07 C ATOM 1418 NE2 HIS B 51 -27.029 6.487 -5.433 1.00 9.54 N ATOM 1419 H HIS B 51 -32.261 4.168 -2.648 1.00 0.00 H ATOM 1420 N PHE B 52 -29.301 2.741 -3.874 1.00 9.53 N ATOM 1421 CA PHE B 52 -28.362 1.884 -3.171 1.00 8.77 C ATOM 1422 C PHE B 52 -27.098 1.676 -3.997 1.00 9.27 C ATOM 1423 O PHE B 52 -27.018 2.065 -5.170 1.00 9.24 O ATOM 1424 CB PHE B 52 -28.995 0.548 -2.732 1.00 9.64 C ATOM 1425 CG PHE B 52 -29.429 -0.348 -3.874 1.00 9.42 C ATOM 1426 CD1 PHE B 52 -30.678 -0.199 -4.455 1.00 8.34 C ATOM 1427 CD2 PHE B 52 -28.597 -1.376 -4.325 1.00 9.40 C ATOM 1428 CE1 PHE B 52 -31.084 -1.049 -5.493 1.00 11.27 C ATOM 1429 CE2 PHE B 52 -28.997 -2.216 -5.371 1.00 9.44 C ATOM 1430 CZ PHE B 52 -30.243 -2.057 -5.938 1.00 10.95 C ATOM 1431 H PHE B 52 -29.560 2.512 -4.855 1.00 0.00 H ATOM 1432 N LEU B 53 -26.099 1.072 -3.356 1.00 9.65 N ATOM 1433 CA LEU B 53 -24.809 0.791 -3.963 1.00 8.80 C ATOM 1434 C LEU B 53 -24.547 -0.704 -3.909 1.00 8.35 C ATOM 1435 O LEU B 53 -24.937 -1.375 -2.951 1.00 9.50 O ATOM 1436 CB LEU B 53 -23.669 1.476 -3.196 1.00 9.10 C ATOM 1437 CG LEU B 53 -23.793 2.990 -3.030 1.00 11.68 C ATOM 1438 CD1 LEU B 53 -22.644 3.529 -2.202 1.00 15.68 C ATOM 1439 CD2 LEU B 53 -23.823 3.649 -4.387 1.00 14.11 C ATOM 1440 H LEU B 53 -26.250 0.786 -2.368 1.00 0.00 H ATOM 1441 N VAL B 54 -23.857 -1.214 -4.925 1.00 8.24 N ATOM 1442 CA VAL B 54 -23.316 -2.574 -4.914 1.00 7.15 C ATOM 1443 C VAL B 54 -21.812 -2.447 -5.100 1.00 8.35 C ATOM 1444 O VAL B 54 -21.354 -1.851 -6.084 1.00 8.95 O ATOM 1445 CB VAL B 54 -23.933 -3.476 -6.001 1.00 7.71 C ATOM 1446 CG1 VAL B 54 -23.528 -4.938 -5.766 1.00 9.51 C ATOM 1447 CG2 VAL B 54 -25.450 -3.365 -6.025 1.00 10.35 C ATOM 1448 H VAL B 54 -23.695 -0.621 -5.764 1.00 0.00 H ATOM 1449 N ILE B 55 -21.043 -2.977 -4.152 1.00 8.30 N ATOM 1450 CA ILE B 55 -19.588 -2.834 -4.186 1.00 7.40 C ATOM 1451 C ILE B 55 -18.910 -4.195 -4.067 1.00 9.19 C ATOM 1452 O ILE B 55 -19.402 -5.081 -3.350 1.00 9.43 O ATOM 1453 CB ILE B 55 -19.082 -1.857 -3.104 1.00 7.53 C ATOM 1454 CG1 ILE B 55 -19.089 -2.481 -1.705 1.00 8.98 C ATOM 1455 CG2 ILE B 55 -19.906 -0.560 -3.106 1.00 11.02 C ATOM 1456 CD1 ILE B 55 -18.486 -1.536 -0.664 1.00 10.83 C ATOM 1457 H ILE B 55 -21.485 -3.503 -3.372 1.00 0.00 H ATOM 1458 N PRO B 56 -17.778 -4.397 -4.735 1.00 8.36 N ATOM 1459 CA PRO B 56 -17.012 -5.629 -4.540 1.00 8.54 C ATOM 1460 C PRO B 56 -16.288 -5.556 -3.210 1.00 8.66 C ATOM 1461 O PRO B 56 -15.943 -4.474 -2.732 1.00 11.02 O ATOM 1462 CB PRO B 56 -16.011 -5.600 -5.704 1.00 8.98 C ATOM 1463 CG PRO B 56 -15.778 -4.132 -5.935 1.00 9.91 C ATOM 1464 CD PRO B 56 -17.110 -3.463 -5.660 1.00 9.56 C ATOM 1465 N LYS B 57 -16.061 -6.722 -2.602 1.00 10.73 N ATOM 1466 CA LYS B 57 -15.223 -6.734 -1.409 1.00 10.27 C ATOM 1467 C LYS B 57 -13.751 -6.552 -1.764 1.00 9.92 C ATOM 1468 O LYS B 57 -12.981 -6.019 -0.955 1.00 15.43 O ATOM 1469 CB LYS B 57 -15.484 -8.009 -0.597 1.00 11.23 C ATOM 1470 CG LYS B 57 -16.869 -8.023 0.006 1.00 10.40 C ATOM 1471 CD LYS B 57 -17.163 -9.304 0.785 1.00 11.75 C ATOM 1472 CE LYS B 57 -18.454 -9.115 1.578 1.00 14.37 C ATOM 1473 NZ LYS B 57 -18.725 -10.300 2.448 1.00 13.11 N ATOM 1474 HZ1 LYS B 57 -18.818 -11.150 1.855 1.00 0.00 H ATOM 1475 HZ2 LYS B 57 -17.938 -10.426 3.116 1.00 0.00 H ATOM 1476 HZ3 LYS B 57 -19.608 -10.146 2.976 1.00 0.00 H ATOM 1477 H LYS B 57 -16.473 -7.603 -2.971 1.00 0.00 H ATOM 1478 N LYS B 58 -13.351 -6.970 -2.966 1.00 12.21 N ATOM 1479 CA LYS B 58 -12.007 -6.706 -3.461 1.00 12.23 C ATOM 1480 C LYS B 58 -11.840 -5.208 -3.690 1.00 14.79 C ATOM 1481 O LYS B 58 -12.700 -4.571 -4.305 1.00 15.93 O ATOM 1482 CB LYS B 58 -11.807 -7.446 -4.785 1.00 15.13 C ATOM 1483 CG LYS B 58 -10.448 -7.241 -5.423 1.00 17.46 C ATOM 1484 CD LYS B 58 -10.356 -7.973 -6.761 1.00 16.87 C ATOM 1485 CE LYS B 58 -9.009 -7.748 -7.435 1.00 22.08 C ATOM 1486 NZ LYS B 58 -8.903 -8.524 -8.706 1.00 26.15 N ATOM 1487 HZ1 LYS B 58 -9.006 -9.538 -8.501 1.00 0.00 H ATOM 1488 HZ2 LYS B 58 -9.655 -8.223 -9.358 1.00 0.00 H ATOM 1489 HZ3 LYS B 58 -7.975 -8.350 -9.141 1.00 0.00 H ATOM 1490 H LYS B 58 -14.017 -7.498 -3.566 1.00 0.00 H ATOM 1491 N HIS B 59 -10.741 -4.636 -3.195 1.00 15.24 N ATOM 1492 CA HIS B 59 -10.546 -3.190 -3.316 1.00 14.59 C ATOM 1493 C HIS B 59 -9.979 -2.873 -4.692 1.00 18.56 C ATOM 1494 O HIS B 59 -8.768 -2.791 -4.897 1.00 22.46 O ATOM 1495 CB HIS B 59 -9.672 -2.623 -2.202 1.00 13.82 C ATOM 1496 CG HIS B 59 -9.603 -1.127 -2.213 1.00 20.72 C ATOM 1497 ND1 HIS B 59 -8.696 -0.411 -1.462 1.00 31.46 N ATOM 1498 CD2 HIS B 59 -10.339 -0.210 -2.887 1.00 25.73 C ATOM 1499 CE1 HIS B 59 -8.873 0.881 -1.677 1.00 30.52 C ATOM 1500 NE2 HIS B 59 -9.862 1.030 -2.540 1.00 26.44 N ATOM 1501 H HIS B 59 -10.021 -5.219 -2.722 1.00 0.00 H ATOM 1502 N ILE B 60 -10.881 -2.694 -5.646 1.00 14.11 N ATOM 1503 CA ILE B 60 -10.562 -2.079 -6.929 1.00 11.07 C ATOM 1504 C ILE B 60 -10.871 -0.597 -6.760 1.00 11.77 C ATOM 1505 O ILE B 60 -11.996 -0.232 -6.407 1.00 14.33 O ATOM 1506 CB ILE B 60 -11.412 -2.700 -8.044 1.00 13.64 C ATOM 1507 CG1 ILE B 60 -11.285 -4.228 -8.027 1.00 17.78 C ATOM 1508 CG2 ILE B 60 -11.020 -2.128 -9.403 1.00 15.33 C ATOM 1509 CD1 ILE B 60 -12.173 -4.912 -9.039 1.00 16.13 C ATOM 1510 H ILE B 60 -11.858 -3.005 -5.472 1.00 0.00 H ATOM 1511 N SER B 61 -9.867 0.260 -6.961 1.00 11.11 N ATOM 1512 CA SER B 61 -10.048 1.673 -6.621 1.00 12.96 C ATOM 1513 C SER B 61 -10.994 2.384 -7.582 1.00 12.18 C ATOM 1514 O SER B 61 -11.696 3.320 -7.176 1.00 12.73 O ATOM 1515 CB SER B 61 -8.702 2.394 -6.579 1.00 17.40 C ATOM 1516 OG SER B 61 -8.063 2.361 -7.845 1.00 21.24 O ATOM 1517 HG SER B 61 -8.639 2.806 -8.516 1.00 0.00 H ATOM 1518 H SER B 61 -8.964 -0.073 -7.356 1.00 0.00 H ATOM 1519 N GLN B 62 -11.018 1.974 -8.847 1.00 13.44 N ATOM 1520 CA GLN B 62 -11.792 2.655 -9.875 1.00 11.61 C ATOM 1521 C GLN B 62 -11.871 1.742 -11.084 1.00 12.72 C ATOM 1522 O GLN B 62 -11.008 0.879 -11.280 1.00 13.53 O ATOM 1523 CB GLN B 62 -11.159 3.997 -10.260 1.00 15.06 C ATOM 1524 CG GLN B 62 -9.733 3.888 -10.729 1.00 16.42 C ATOM 1525 CD GLN B 62 -8.916 5.104 -10.349 1.00 21.21 C ATOM 1526 OE1 GLN B 62 -8.173 5.080 -9.368 1.00 22.78 O ATOM 1527 NE2 GLN B 62 -9.048 6.174 -11.121 1.00 17.55 N ATOM 1528 HE22 GLN B 62 -9.688 6.148 -11.940 1.00 0.00 H ATOM 1529 HE21 GLN B 62 -8.511 7.039 -10.907 1.00 0.00 H ATOM 1530 H GLN B 62 -10.463 1.135 -9.112 1.00 0.00 H ATOM 1531 N ILE B 63 -12.927 1.922 -11.878 1.00 11.51 N ATOM 1532 CA ILE B 63 -13.165 1.001 -12.988 1.00 11.36 C ATOM 1533 C ILE B 63 -12.023 1.039 -13.996 1.00 11.00 C ATOM 1534 O ILE B 63 -11.746 0.040 -14.664 1.00 13.44 O ATOM 1535 CB ILE B 63 -14.551 1.253 -13.626 1.00 11.14 C ATOM 1536 CG1 ILE B 63 -14.958 0.104 -14.552 1.00 13.64 C ATOM 1537 CG2 ILE B 63 -14.581 2.583 -14.395 1.00 11.90 C ATOM 1538 CD1 ILE B 63 -15.242 -1.181 -13.814 1.00 17.21 C ATOM 1539 H ILE B 63 -13.579 2.714 -11.708 1.00 0.00 H ATOM 1540 N SER B 64 -11.334 2.179 -14.120 1.00 12.42 N ATOM 1541 CA SER B 64 -10.261 2.282 -15.108 1.00 12.49 C ATOM 1542 C SER B 64 -9.099 1.339 -14.815 1.00 13.31 C ATOM 1543 O SER B 64 -8.317 1.044 -15.724 1.00 17.53 O ATOM 1544 CB SER B 64 -9.755 3.723 -15.220 1.00 12.95 C ATOM 1545 OG SER B 64 -9.137 4.149 -14.020 1.00 13.13 O ATOM 1546 HG SER B 64 -8.822 5.082 -14.125 1.00 0.00 H ATOM 1547 H SER B 64 -11.562 2.992 -13.513 1.00 0.00 H ATOM 1548 N VAL B 65 -8.961 0.864 -13.572 1.00 13.16 N ATOM 1549 CA VAL B 65 -7.872 -0.048 -13.226 1.00 14.50 C ATOM 1550 C VAL B 65 -8.322 -1.498 -13.097 1.00 15.56 C ATOM 1551 O VAL B 65 -7.495 -2.362 -12.775 1.00 18.18 O ATOM 1552 CB VAL B 65 -7.074 0.417 -11.989 1.00 15.67 C ATOM 1553 CG1 VAL B 65 -6.610 1.848 -12.174 1.00 20.74 C ATOM 1554 CG2 VAL B 65 -7.891 0.259 -10.716 1.00 19.59 C ATOM 1555 H VAL B 65 -9.641 1.149 -12.838 1.00 0.00 H ATOM 1556 N ALA B 66 -9.597 -1.798 -13.339 1.00 13.60 N ATOM 1557 CA ALA B 66 -10.042 -3.185 -13.310 1.00 14.47 C ATOM 1558 C ALA B 66 -9.326 -3.993 -14.386 1.00 21.62 C ATOM 1559 O ALA B 66 -8.985 -3.481 -15.457 1.00 18.04 O ATOM 1560 CB ALA B 66 -11.553 -3.271 -13.531 1.00 15.81 C ATOM 1561 H ALA B 66 -10.277 -1.040 -13.549 1.00 0.00 H ATOM 1562 N GLU B 67 -9.099 -5.268 -14.089 1.00 25.49 N ATOM 1563 CA GLU B 67 -8.400 -6.182 -14.980 1.00 30.95 C ATOM 1564 C GLU B 67 -9.393 -7.078 -15.714 1.00 27.29 C ATOM 1565 O GLU B 67 -10.562 -7.195 -15.337 1.00 22.79 O ATOM 1566 CB GLU B 67 -7.414 -7.043 -14.185 1.00 34.61 C ATOM 1567 CG GLU B 67 -6.462 -6.257 -13.294 1.00 39.24 C ATOM 1568 CD GLU B 67 -5.723 -7.142 -12.301 1.00 46.56 C ATOM 1569 OE1 GLU B 67 -4.736 -7.795 -12.704 1.00 54.28 O ATOM 1570 OE2 GLU B 67 -6.125 -7.183 -11.118 1.00 50.29 O ATOM 1571 H GLU B 67 -9.437 -5.631 -13.175 1.00 0.00 H ATOM 1572 N ASP B 68 -8.905 -7.722 -16.778 1.00 26.76 N ATOM 1573 CA ASP B 68 -9.748 -8.645 -17.533 1.00 26.64 C ATOM 1574 C ASP B 68 -10.325 -9.737 -16.636 1.00 18.64 C ATOM 1575 O ASP B 68 -11.494 -10.117 -16.783 1.00 19.20 O ATOM 1576 CB ASP B 68 -8.948 -9.261 -18.682 1.00 25.32 C ATOM 1577 CG ASP B 68 -8.478 -8.225 -19.687 1.00 40.17 C ATOM 1578 OD1 ASP B 68 -8.250 -7.059 -19.290 1.00 37.82 O ATOM 1579 OD2 ASP B 68 -8.347 -8.578 -20.878 1.00 35.67 O ATOM 1580 H ASP B 68 -7.919 -7.565 -17.070 1.00 0.00 H ATOM 1581 N ASP B 69 -9.524 -10.249 -15.700 1.00 18.15 N ATOM 1582 CA ASP B 69 -9.983 -11.294 -14.793 1.00 20.55 C ATOM 1583 C ASP B 69 -11.091 -10.826 -13.857 1.00 20.52 C ATOM 1584 O ASP B 69 -11.704 -11.666 -13.188 1.00 20.43 O ATOM 1585 CB ASP B 69 -8.805 -11.848 -13.988 1.00 25.51 C ATOM 1586 CG ASP B 69 -7.828 -12.638 -14.846 1.00 28.77 C ATOM 1587 OD1 ASP B 69 -8.242 -13.159 -15.903 1.00 25.84 O ATOM 1588 OD2 ASP B 69 -6.644 -12.735 -14.462 1.00 38.38 O ATOM 1589 H ASP B 69 -8.550 -9.895 -15.615 1.00 0.00 H ATOM 1590 N ASP B 70 -11.367 -9.523 -13.800 1.00 17.16 N ATOM 1591 CA ASP B 70 -12.431 -8.982 -12.964 1.00 16.46 C ATOM 1592 C ASP B 70 -13.791 -8.991 -13.649 1.00 12.71 C ATOM 1593 O ASP B 70 -14.770 -8.565 -13.028 1.00 14.10 O ATOM 1594 CB ASP B 70 -12.122 -7.527 -12.589 1.00 18.99 C ATOM 1595 CG ASP B 70 -10.930 -7.394 -11.668 1.00 20.00 C ATOM 1596 OD1 ASP B 70 -10.816 -8.177 -10.697 1.00 19.78 O ATOM 1597 OD2 ASP B 70 -10.103 -6.499 -11.924 1.00 24.07 O ATOM 1598 H ASP B 70 -10.801 -8.867 -14.375 1.00 0.00 H ATOM 1599 N GLU B 71 -13.882 -9.478 -14.890 1.00 15.04 N ATOM 1600 CA GLU B 71 -15.128 -9.370 -15.647 1.00 15.76 C ATOM 1601 C GLU B 71 -16.290 -10.041 -14.928 1.00 12.60 C ATOM 1602 O GLU B 71 -17.369 -9.455 -14.791 1.00 12.81 O ATOM 1603 CB GLU B 71 -14.949 -9.948 -17.052 1.00 16.69 C ATOM 1604 CG GLU B 71 -14.556 -8.897 -18.054 1.00 20.59 C ATOM 1605 CD GLU B 71 -14.180 -9.457 -19.405 1.00 12.04 C ATOM 1606 OE1 GLU B 71 -14.490 -10.641 -19.682 1.00 19.21 O ATOM 1607 OE2 GLU B 71 -13.567 -8.691 -20.177 1.00 9.51 O ATOM 1608 H GLU B 71 -13.056 -9.939 -15.323 1.00 0.00 H ATOM 1609 N SER B 72 -16.099 -11.285 -14.482 1.00 12.92 N ATOM 1610 CA SER B 72 -17.170 -11.983 -13.778 1.00 13.77 C ATOM 1611 C SER B 72 -17.621 -11.200 -12.552 1.00 11.60 C ATOM 1612 O SER B 72 -18.824 -11.059 -12.305 1.00 12.76 O ATOM 1613 CB SER B 72 -16.710 -13.391 -13.383 1.00 15.73 C ATOM 1614 OG SER B 72 -17.687 -14.049 -12.594 1.00 25.02 O ATOM 1615 HG SER B 72 -17.849 -13.527 -11.769 1.00 0.00 H ATOM 1616 H SER B 72 -15.185 -11.757 -14.637 1.00 0.00 H ATOM 1617 N LEU B 73 -16.665 -10.672 -11.783 1.00 10.28 N ATOM 1618 CA LEU B 73 -17.001 -9.940 -10.566 1.00 12.09 C ATOM 1619 C LEU B 73 -17.794 -8.677 -10.881 1.00 12.44 C ATOM 1620 O LEU B 73 -18.798 -8.383 -10.220 1.00 11.54 O ATOM 1621 CB LEU B 73 -15.717 -9.588 -9.819 1.00 11.38 C ATOM 1622 CG LEU B 73 -15.909 -8.743 -8.558 1.00 12.89 C ATOM 1623 CD1 LEU B 73 -16.771 -9.478 -7.524 1.00 16.31 C ATOM 1624 CD2 LEU B 73 -14.551 -8.362 -7.992 1.00 17.29 C ATOM 1625 H LEU B 73 -15.668 -10.784 -12.055 1.00 0.00 H ATOM 1626 N LEU B 74 -17.367 -7.924 -11.896 1.00 10.94 N ATOM 1627 CA LEU B 74 -18.099 -6.723 -12.283 1.00 11.12 C ATOM 1628 C LEU B 74 -19.507 -7.061 -12.760 1.00 10.54 C ATOM 1629 O LEU B 74 -20.479 -6.398 -12.380 1.00 10.64 O ATOM 1630 CB LEU B 74 -17.320 -5.987 -13.373 1.00 12.23 C ATOM 1631 CG LEU B 74 -15.976 -5.398 -12.951 1.00 10.51 C ATOM 1632 CD1 LEU B 74 -15.262 -4.838 -14.172 1.00 14.93 C ATOM 1633 CD2 LEU B 74 -16.161 -4.305 -11.910 1.00 13.06 C ATOM 1634 H LEU B 74 -16.507 -8.195 -12.414 1.00 0.00 H ATOM 1635 N GLY B 75 -19.647 -8.100 -13.585 1.00 9.16 N ATOM 1636 CA GLY B 75 -20.980 -8.535 -13.973 1.00 10.19 C ATOM 1637 C GLY B 75 -21.803 -8.995 -12.784 1.00 7.36 C ATOM 1638 O GLY B 75 -23.019 -8.792 -12.746 1.00 10.80 O ATOM 1639 H GLY B 75 -18.808 -8.596 -13.949 1.00 0.00 H ATOM 1640 N HIS B 76 -21.150 -9.632 -11.799 1.00 8.69 N ATOM 1641 CA HIS B 76 -21.850 -10.019 -10.574 1.00 10.28 C ATOM 1642 C HIS B 76 -22.448 -8.811 -9.849 1.00 9.51 C ATOM 1643 O HIS B 76 -23.557 -8.898 -9.303 1.00 9.79 O ATOM 1644 CB HIS B 76 -20.893 -10.781 -9.659 1.00 12.00 C ATOM 1645 CG HIS B 76 -21.558 -11.415 -8.474 1.00 10.89 C ATOM 1646 ND1 HIS B 76 -22.422 -12.486 -8.589 1.00 12.85 N ATOM 1647 CD2 HIS B 76 -21.474 -11.140 -7.149 1.00 10.78 C ATOM 1648 CE1 HIS B 76 -22.841 -12.842 -7.385 1.00 13.63 C ATOM 1649 NE2 HIS B 76 -22.280 -12.043 -6.493 1.00 10.74 N ATOM 1650 H HIS B 76 -20.139 -9.852 -11.908 1.00 0.00 H ATOM 1651 N LEU B 77 -21.738 -7.680 -9.824 1.00 7.72 N ATOM 1652 CA LEU B 77 -22.312 -6.484 -9.207 1.00 9.51 C ATOM 1653 C LEU B 77 -23.614 -6.086 -9.897 1.00 8.67 C ATOM 1654 O LEU B 77 -24.580 -5.672 -9.239 1.00 9.17 O ATOM 1655 CB LEU B 77 -21.316 -5.320 -9.257 1.00 11.84 C ATOM 1656 CG LEU B 77 -19.901 -5.512 -8.708 1.00 10.30 C ATOM 1657 CD1 LEU B 77 -19.098 -4.234 -8.855 1.00 12.06 C ATOM 1658 CD2 LEU B 77 -19.940 -5.942 -7.234 1.00 11.91 C ATOM 1659 H LEU B 77 -20.785 -7.650 -10.240 1.00 0.00 H ATOM 1660 N MET B 78 -23.658 -6.198 -11.232 1.00 8.52 N ATOM 1661 CA MET B 78 -24.860 -5.815 -11.965 1.00 10.77 C ATOM 1662 C MET B 78 -25.995 -6.812 -11.764 1.00 7.88 C ATOM 1663 O MET B 78 -27.160 -6.410 -11.659 1.00 9.80 O ATOM 1664 CB MET B 78 -24.542 -5.645 -13.451 1.00 14.09 C ATOM 1665 CG MET B 78 -24.014 -4.276 -13.796 1.00 14.10 C ATOM 1666 SD MET B 78 -23.710 -4.196 -15.564 1.00 19.15 S ATOM 1667 CE MET B 78 -22.199 -5.109 -15.597 1.00 13.37 C ATOM 1668 H MET B 78 -22.831 -6.560 -11.748 1.00 0.00 H ATOM 1669 N ILE B 79 -25.685 -8.116 -11.718 1.00 8.92 N ATOM 1670 CA ILE B 79 -26.731 -9.106 -11.471 1.00 10.78 C ATOM 1671 C ILE B 79 -27.280 -8.968 -10.056 1.00 8.49 C ATOM 1672 O ILE B 79 -28.498 -8.991 -9.846 1.00 10.06 O ATOM 1673 CB ILE B 79 -26.217 -10.530 -11.751 1.00 10.62 C ATOM 1674 CG1 ILE B 79 -25.950 -10.726 -13.251 1.00 10.25 C ATOM 1675 CG2 ILE B 79 -27.202 -11.580 -11.201 1.00 13.56 C ATOM 1676 CD1 ILE B 79 -27.180 -10.585 -14.133 1.00 13.56 C ATOM 1677 H ILE B 79 -24.701 -8.422 -11.858 1.00 0.00 H ATOM 1678 N VAL B 80 -26.397 -8.808 -9.068 1.00 9.09 N ATOM 1679 CA VAL B 80 -26.856 -8.544 -7.707 1.00 11.56 C ATOM 1680 C VAL B 80 -27.680 -7.262 -7.663 1.00 11.51 C ATOM 1681 O VAL B 80 -28.753 -7.211 -7.045 1.00 11.26 O ATOM 1682 CB VAL B 80 -25.658 -8.507 -6.743 1.00 10.31 C ATOM 1683 CG1 VAL B 80 -26.084 -7.955 -5.377 1.00 10.47 C ATOM 1684 CG2 VAL B 80 -25.057 -9.904 -6.594 1.00 9.49 C ATOM 1685 H VAL B 80 -25.378 -8.872 -9.268 1.00 0.00 H ATOM 1686 N GLY B 81 -27.219 -6.225 -8.365 1.00 9.41 N ATOM 1687 CA GLY B 81 -27.955 -4.976 -8.404 1.00 10.37 C ATOM 1688 C GLY B 81 -29.353 -5.125 -8.975 1.00 10.59 C ATOM 1689 O GLY B 81 -30.319 -4.601 -8.421 1.00 11.79 O ATOM 1690 H GLY B 81 -26.325 -6.313 -8.888 1.00 0.00 H ATOM 1691 N LYS B 82 -29.484 -5.847 -10.096 1.00 10.10 N ATOM 1692 CA LYS B 82 -30.820 -6.002 -10.664 1.00 11.26 C ATOM 1693 C LYS B 82 -31.712 -6.879 -9.787 1.00 10.37 C ATOM 1694 O LYS B 82 -32.921 -6.627 -9.693 1.00 12.92 O ATOM 1695 CB LYS B 82 -30.754 -6.465 -12.126 1.00 17.00 C ATOM 1696 CG LYS B 82 -30.383 -7.913 -12.338 1.00 14.88 C ATOM 1697 CD LYS B 82 -31.624 -8.772 -12.487 1.00 15.13 C ATOM 1698 CE LYS B 82 -31.281 -10.143 -13.028 1.00 21.11 C ATOM 1699 NZ LYS B 82 -32.505 -10.991 -13.180 1.00 24.02 N ATOM 1700 HZ1 LYS B 82 -32.963 -11.106 -12.253 1.00 0.00 H ATOM 1701 HZ2 LYS B 82 -33.165 -10.531 -13.839 1.00 0.00 H ATOM 1702 HZ3 LYS B 82 -32.235 -11.924 -13.553 1.00 0.00 H ATOM 1703 H LYS B 82 -28.657 -6.285 -10.549 1.00 0.00 H ATOM 1704 N LYS B 83 -31.136 -7.873 -9.101 1.00 11.22 N ATOM 1705 CA LYS B 83 -31.932 -8.695 -8.191 1.00 12.54 C ATOM 1706 C LYS B 83 -32.392 -7.893 -6.979 1.00 13.64 C ATOM 1707 O LYS B 83 -33.556 -7.994 -6.566 1.00 13.81 O ATOM 1708 CB LYS B 83 -31.144 -9.937 -7.773 1.00 13.70 C ATOM 1709 CG LYS B 83 -30.983 -10.937 -8.915 1.00 11.53 C ATOM 1710 CD LYS B 83 -30.228 -12.172 -8.467 1.00 16.01 C ATOM 1711 CE LYS B 83 -30.163 -13.201 -9.590 1.00 17.85 C ATOM 1712 NZ LYS B 83 -29.497 -14.458 -9.144 1.00 23.95 N ATOM 1713 HZ1 LYS B 83 -28.527 -14.245 -8.837 1.00 0.00 H ATOM 1714 HZ2 LYS B 83 -30.030 -14.869 -8.351 1.00 0.00 H ATOM 1715 HZ3 LYS B 83 -29.471 -15.134 -9.934 1.00 0.00 H ATOM 1716 H LYS B 83 -30.120 -8.061 -9.215 1.00 0.00 H ATOM 1717 N CYS B 84 -31.501 -7.079 -6.406 1.00 12.64 N ATOM 1718 CA CYS B 84 -31.900 -6.213 -5.298 1.00 12.14 C ATOM 1719 C CYS B 84 -32.968 -5.223 -5.734 1.00 12.43 C ATOM 1720 O CYS B 84 -33.916 -4.952 -4.986 1.00 14.27 O ATOM 1721 CB CYS B 84 -30.690 -5.463 -4.742 1.00 13.58 C ATOM 1722 SG CYS B 84 -29.508 -6.504 -3.865 1.00 14.38 S ATOM 1723 H CYS B 84 -30.520 -7.061 -6.750 1.00 0.00 H ATOM 1724 N ALA B 85 -32.835 -4.669 -6.944 1.00 10.34 N ATOM 1725 CA ALA B 85 -33.835 -3.724 -7.430 1.00 12.26 C ATOM 1726 C ALA B 85 -35.213 -4.367 -7.507 1.00 14.27 C ATOM 1727 O ALA B 85 -36.216 -3.754 -7.122 1.00 15.03 O ATOM 1728 CB ALA B 85 -33.420 -3.170 -8.796 1.00 14.07 C ATOM 1729 H ALA B 85 -32.018 -4.912 -7.539 1.00 0.00 H ATOM 1730 N ALA B 86 -35.281 -5.607 -8.005 1.00 16.25 N ATOM 1731 CA ALA B 86 -36.552 -6.323 -8.038 1.00 17.52 C ATOM 1732 C ALA B 86 -37.089 -6.543 -6.632 1.00 15.81 C ATOM 1733 O ALA B 86 -38.280 -6.335 -6.376 1.00 17.83 O ATOM 1734 CB ALA B 86 -36.374 -7.662 -8.752 1.00 15.95 C ATOM 1735 H ALA B 86 -34.422 -6.064 -8.371 1.00 0.00 H ATOM 1736 N ASP B 87 -36.217 -6.951 -5.707 1.00 15.58 N ATOM 1737 CA ASP B 87 -36.638 -7.189 -4.329 1.00 18.70 C ATOM 1738 C ASP B 87 -37.116 -5.910 -3.659 1.00 19.68 C ATOM 1739 O ASP B 87 -37.988 -5.957 -2.783 1.00 20.98 O ATOM 1740 CB ASP B 87 -35.492 -7.794 -3.516 1.00 17.41 C ATOM 1741 CG ASP B 87 -35.183 -9.231 -3.901 1.00 35.73 C ATOM 1742 OD1 ASP B 87 -36.020 -9.869 -4.575 1.00 30.71 O ATOM 1743 OD2 ASP B 87 -34.103 -9.726 -3.513 1.00 36.37 O ATOM 1744 H ASP B 87 -35.223 -7.102 -5.972 1.00 0.00 H ATOM 1745 N LEU B 88 -36.558 -4.765 -4.044 1.00 15.50 N ATOM 1746 CA LEU B 88 -36.976 -3.490 -3.480 1.00 17.11 C ATOM 1747 C LEU B 88 -38.202 -2.910 -4.173 1.00 18.86 C ATOM 1748 O LEU B 88 -38.606 -1.787 -3.850 1.00 20.97 O ATOM 1749 CB LEU B 88 -35.811 -2.499 -3.480 1.00 15.63 C ATOM 1750 CG LEU B 88 -34.680 -2.839 -2.507 1.00 15.58 C ATOM 1751 CD1 LEU B 88 -33.433 -2.026 -2.798 1.00 17.02 C ATOM 1752 CD2 LEU B 88 -35.134 -2.594 -1.077 1.00 18.24 C ATOM 1753 H LEU B 88 -35.807 -4.781 -4.763 1.00 0.00 H ATOM 1754 N GLY B 89 -38.795 -3.648 -5.111 1.00 16.23 N ATOM 1755 CA GLY B 89 -40.047 -3.246 -5.723 1.00 21.00 C ATOM 1756 C GLY B 89 -39.936 -2.279 -6.877 1.00 18.73 C ATOM 1757 O GLY B 89 -40.929 -1.626 -7.220 1.00 21.25 O ATOM 1758 H GLY B 89 -38.347 -4.537 -5.413 1.00 0.00 H ATOM 1759 N LEU B 90 -38.763 -2.177 -7.507 1.00 16.50 N ATOM 1760 CA LEU B 90 -38.548 -1.221 -8.594 1.00 16.49 C ATOM 1761 C LEU B 90 -39.047 -1.785 -9.927 1.00 21.52 C ATOM 1762 O LEU B 90 -38.299 -1.954 -10.889 1.00 20.01 O ATOM 1763 CB LEU B 90 -37.078 -0.830 -8.667 1.00 15.95 C ATOM 1764 CG LEU B 90 -36.503 -0.152 -7.420 1.00 15.49 C ATOM 1765 CD1 LEU B 90 -35.080 0.322 -7.694 1.00 17.03 C ATOM 1766 CD2 LEU B 90 -37.378 1.015 -6.960 1.00 17.54 C ATOM 1767 H LEU B 90 -37.979 -2.795 -7.217 1.00 0.00 H ATOM 1768 N ASN B 91 -40.351 -2.053 -9.976 1.00 15.28 N ATOM 1769 CA ASN B 91 -40.933 -2.723 -11.133 1.00 15.25 C ATOM 1770 C ASN B 91 -41.139 -1.801 -12.328 1.00 19.16 C ATOM 1771 O ASN B 91 -41.459 -2.292 -13.417 1.00 21.23 O ATOM 1772 CB ASN B 91 -42.244 -3.418 -10.748 1.00 21.24 C ATOM 1773 CG ASN B 91 -43.339 -2.440 -10.370 1.00 23.84 C ATOM 1774 OD1 ASN B 91 -43.075 -1.357 -9.850 1.00 30.78 O ATOM 1775 ND2 ASN B 91 -44.584 -2.829 -10.616 1.00 43.33 N ATOM 1776 HD22 ASN B 91 -44.762 -3.754 -11.058 1.00 0.00 H ATOM 1777 HD21 ASN B 91 -45.381 -2.209 -10.367 1.00 0.00 H ATOM 1778 H ASN B 91 -40.961 -1.781 -9.179 1.00 0.00 H ATOM 1779 N LYS B 92 -40.964 -0.493 -12.164 1.00 16.26 N ATOM 1780 CA LYS B 92 -41.073 0.442 -13.275 1.00 17.55 C ATOM 1781 C LYS B 92 -39.724 0.804 -13.881 1.00 17.03 C ATOM 1782 O LYS B 92 -39.685 1.565 -14.853 1.00 16.96 O ATOM 1783 CB LYS B 92 -41.804 1.716 -12.843 1.00 22.97 C ATOM 1784 CG LYS B 92 -43.264 1.507 -12.483 1.00 27.66 C ATOM 1785 CD LYS B 92 -43.980 2.842 -12.389 1.00 37.04 C ATOM 1786 CE LYS B 92 -43.836 3.626 -13.687 1.00 31.45 C ATOM 1787 NZ LYS B 92 -44.524 4.948 -13.625 1.00 43.20 N ATOM 1788 HZ1 LYS B 92 -45.538 4.802 -13.446 1.00 0.00 H ATOM 1789 HZ2 LYS B 92 -44.113 5.516 -12.856 1.00 0.00 H ATOM 1790 HZ3 LYS B 92 -44.399 5.445 -14.530 1.00 0.00 H ATOM 1791 H LYS B 92 -40.743 -0.128 -11.216 1.00 0.00 H ATOM 1792 N GLY B 93 -38.629 0.293 -13.332 1.00 14.96 N ATOM 1793 CA GLY B 93 -37.308 0.516 -13.880 1.00 15.41 C ATOM 1794 C GLY B 93 -36.391 1.245 -12.916 1.00 13.07 C ATOM 1795 O GLY B 93 -36.753 1.575 -11.785 1.00 13.04 O ATOM 1796 H GLY B 93 -38.724 -0.290 -12.476 1.00 0.00 H ATOM 1797 N TYR B 94 -35.174 1.489 -13.397 1.00 11.77 N ATOM 1798 CA TYR B 94 -34.114 2.056 -12.572 1.00 12.52 C ATOM 1799 C TYR B 94 -32.928 2.364 -13.477 1.00 11.86 C ATOM 1800 O TYR B 94 -32.903 1.986 -14.654 1.00 11.65 O ATOM 1801 CB TYR B 94 -33.708 1.107 -11.436 1.00 10.00 C ATOM 1802 CG TYR B 94 -33.491 -0.321 -11.876 1.00 10.10 C ATOM 1803 CD1 TYR B 94 -32.265 -0.735 -12.401 1.00 11.63 C ATOM 1804 CD2 TYR B 94 -34.511 -1.263 -11.774 1.00 13.23 C ATOM 1805 CE1 TYR B 94 -32.063 -2.054 -12.807 1.00 12.81 C ATOM 1806 CE2 TYR B 94 -34.321 -2.572 -12.179 1.00 12.05 C ATOM 1807 CZ TYR B 94 -33.097 -2.961 -12.695 1.00 12.09 C ATOM 1808 OH TYR B 94 -32.912 -4.267 -13.097 1.00 13.47 O ATOM 1809 HH TYR B 94 -33.055 -4.872 -12.326 1.00 0.00 H ATOM 1810 H TYR B 94 -34.973 1.268 -14.393 1.00 0.00 H ATOM 1811 N ARG B 95 -31.942 3.050 -12.908 1.00 9.12 N ATOM 1812 CA ARG B 95 -30.710 3.390 -13.603 1.00 8.98 C ATOM 1813 C ARG B 95 -29.516 2.920 -12.785 1.00 10.31 C ATOM 1814 O ARG B 95 -29.481 3.104 -11.563 1.00 9.73 O ATOM 1815 CB ARG B 95 -30.628 4.901 -13.825 1.00 9.92 C ATOM 1816 CG ARG B 95 -29.304 5.378 -14.413 1.00 9.44 C ATOM 1817 CD ARG B 95 -29.418 6.808 -14.908 1.00 9.26 C ATOM 1818 NE ARG B 95 -30.347 6.851 -16.032 1.00 9.81 N ATOM 1819 CZ ARG B 95 -30.949 7.948 -16.482 1.00 8.32 C ATOM 1820 NH1 ARG B 95 -30.729 9.124 -15.913 1.00 9.75 N ATOM 1821 NH2 ARG B 95 -31.780 7.855 -17.516 1.00 11.12 N ATOM 1822 HE ARG B 95 -30.554 5.955 -16.518 1.00 0.00 H ATOM 1823 HH12 ARG B 95 -31.206 9.974 -16.275 1.00 0.00 H ATOM 1824 HH11 ARG B 95 -30.079 9.197 -15.104 1.00 0.00 H ATOM 1825 HH22 ARG B 95 -32.257 8.705 -17.878 1.00 0.00 H ATOM 1826 HH21 ARG B 95 -31.953 6.932 -17.963 1.00 0.00 H ATOM 1827 H ARG B 95 -32.056 3.358 -11.921 1.00 0.00 H ATOM 1828 N MET B 96 -28.543 2.305 -13.456 1.00 10.39 N ATOM 1829 CA MET B 96 -27.289 1.887 -12.840 1.00 10.16 C ATOM 1830 C MET B 96 -26.171 2.800 -13.319 1.00 8.72 C ATOM 1831 O MET B 96 -26.110 3.141 -14.502 1.00 8.80 O ATOM 1832 CB MET B 96 -26.939 0.451 -13.236 1.00 9.79 C ATOM 1833 CG MET B 96 -27.937 -0.564 -12.739 1.00 9.80 C ATOM 1834 SD MET B 96 -27.539 -2.222 -13.322 1.00 12.23 S ATOM 1835 CE MET B 96 -28.352 -3.199 -12.052 1.00 15.55 C ATOM 1836 H MET B 96 -28.685 2.114 -14.468 1.00 0.00 H ATOM 1837 N VAL B 97 -25.288 3.213 -12.408 1.00 7.64 N ATOM 1838 CA VAL B 97 -24.248 4.181 -12.751 1.00 7.82 C ATOM 1839 C VAL B 97 -22.931 3.763 -12.113 1.00 7.70 C ATOM 1840 O VAL B 97 -22.893 3.436 -10.923 1.00 9.21 O ATOM 1841 CB VAL B 97 -24.613 5.598 -12.251 1.00 7.51 C ATOM 1842 CG1 VAL B 97 -23.540 6.612 -12.642 1.00 10.72 C ATOM 1843 CG2 VAL B 97 -25.987 6.035 -12.762 1.00 8.97 C ATOM 1844 H VAL B 97 -25.341 2.840 -11.439 1.00 0.00 H ATOM 1845 N VAL B 98 -21.846 3.797 -12.891 1.00 8.11 N ATOM 1846 CA VAL B 98 -20.481 3.744 -12.372 1.00 7.35 C ATOM 1847 C VAL B 98 -19.773 5.024 -12.793 1.00 7.17 C ATOM 1848 O VAL B 98 -19.732 5.356 -13.984 1.00 8.67 O ATOM 1849 CB VAL B 98 -19.705 2.517 -12.885 1.00 8.64 C ATOM 1850 CG1 VAL B 98 -18.260 2.538 -12.352 1.00 10.30 C ATOM 1851 CG2 VAL B 98 -20.404 1.232 -12.481 1.00 11.40 C ATOM 1852 H VAL B 98 -21.980 3.865 -13.920 1.00 0.00 H ATOM 1853 N ASN B 99 -19.219 5.739 -11.820 1.00 8.60 N ATOM 1854 CA ASN B 99 -18.481 6.968 -12.081 1.00 7.37 C ATOM 1855 C ASN B 99 -16.986 6.696 -12.021 1.00 8.86 C ATOM 1856 O ASN B 99 -16.515 5.973 -11.139 1.00 10.54 O ATOM 1857 CB ASN B 99 -18.798 8.018 -11.020 1.00 8.42 C ATOM 1858 CG ASN B 99 -20.242 8.469 -11.042 1.00 9.40 C ATOM 1859 OD1 ASN B 99 -20.888 8.453 -12.090 1.00 12.37 O ATOM 1860 ND2 ASN B 99 -20.751 8.894 -9.889 1.00 13.57 N ATOM 1861 HD22 ASN B 99 -20.166 8.889 -9.029 1.00 0.00 H ATOM 1862 HD21 ASN B 99 -21.734 9.231 -9.847 1.00 0.00 H ATOM 1863 H ASN B 99 -19.315 5.410 -10.838 1.00 0.00 H ATOM 1864 N GLU B 100 -16.241 7.315 -12.930 1.00 8.61 N ATOM 1865 CA GLU B 100 -14.789 7.200 -12.979 1.00 9.27 C ATOM 1866 C GLU B 100 -14.162 8.588 -12.957 1.00 9.78 C ATOM 1867 O GLU B 100 -14.449 9.424 -13.824 1.00 10.07 O ATOM 1868 CB GLU B 100 -14.344 6.438 -14.230 1.00 10.16 C ATOM 1869 CG GLU B 100 -12.878 6.616 -14.563 1.00 10.61 C ATOM 1870 CD GLU B 100 -11.949 5.851 -13.643 1.00 15.31 C ATOM 1871 OE1 GLU B 100 -12.363 4.798 -13.124 1.00 12.18 O ATOM 1872 OE2 GLU B 100 -10.796 6.303 -13.451 1.00 15.81 O ATOM 1873 H GLU B 100 -16.716 7.909 -13.639 1.00 0.00 H ATOM 1874 N GLY B 101 -13.306 8.832 -11.973 1.00 10.73 N ATOM 1875 CA GLY B 101 -12.483 10.031 -12.001 1.00 11.40 C ATOM 1876 C GLY B 101 -13.240 11.334 -11.752 1.00 10.19 C ATOM 1877 O GLY B 101 -14.414 11.364 -11.372 1.00 10.19 O ATOM 1878 H GLY B 101 -13.223 8.164 -11.180 1.00 0.00 H ATOM 1879 N SER B 102 -12.530 12.439 -11.996 1.00 11.84 N ATOM 1880 CA SER B 102 -13.083 13.751 -11.672 1.00 10.52 C ATOM 1881 C SER B 102 -14.248 14.116 -12.588 1.00 9.58 C ATOM 1882 O SER B 102 -15.302 14.562 -12.116 1.00 10.13 O ATOM 1883 CB SER B 102 -11.986 14.820 -11.697 1.00 17.22 C ATOM 1884 OG SER B 102 -11.506 15.043 -13.008 1.00 17.74 O ATOM 1885 HG SER B 102 -12.252 15.346 -13.584 1.00 0.00 H ATOM 1886 H SER B 102 -11.582 12.365 -12.417 1.00 0.00 H ATOM 1887 N ASP B 103 -14.083 13.928 -13.904 1.00 10.00 N ATOM 1888 CA ASP B 103 -15.181 14.222 -14.823 1.00 11.07 C ATOM 1889 C ASP B 103 -16.369 13.299 -14.579 1.00 8.91 C ATOM 1890 O ASP B 103 -17.518 13.705 -14.765 1.00 9.53 O ATOM 1891 CB ASP B 103 -14.715 14.097 -16.280 1.00 10.50 C ATOM 1892 CG ASP B 103 -14.172 15.401 -16.855 1.00 13.81 C ATOM 1893 OD1 ASP B 103 -14.137 16.426 -16.141 1.00 14.45 O ATOM 1894 OD2 ASP B 103 -13.770 15.385 -18.042 1.00 12.76 O ATOM 1895 H ASP B 103 -13.176 13.574 -14.271 1.00 0.00 H ATOM 1896 N GLY B 104 -16.119 12.055 -14.168 1.00 9.30 N ATOM 1897 CA GLY B 104 -17.232 11.173 -13.840 1.00 8.81 C ATOM 1898 C GLY B 104 -17.913 11.490 -12.530 1.00 9.92 C ATOM 1899 O GLY B 104 -19.010 10.980 -12.279 1.00 11.40 O ATOM 1900 H GLY B 104 -15.139 11.718 -14.082 1.00 0.00 H ATOM 1901 N GLY B 105 -17.303 12.328 -11.700 1.00 8.84 N ATOM 1902 CA GLY B 105 -17.887 12.643 -10.412 1.00 9.04 C ATOM 1903 C GLY B 105 -17.711 11.555 -9.383 1.00 12.27 C ATOM 1904 O GLY B 105 -18.519 11.462 -8.453 1.00 12.09 O ATOM 1905 H GLY B 105 -16.399 12.762 -11.977 1.00 0.00 H ATOM 1906 N GLN B 106 -16.681 10.721 -9.526 1.00 9.01 N ATOM 1907 CA GLN B 106 -16.480 9.611 -8.605 1.00 8.16 C ATOM 1908 C GLN B 106 -16.154 10.145 -7.213 1.00 11.56 C ATOM 1909 O GLN B 106 -15.228 10.944 -7.046 1.00 13.61 O ATOM 1910 CB GLN B 106 -15.343 8.715 -9.098 1.00 9.67 C ATOM 1911 CG GLN B 106 -15.157 7.483 -8.215 1.00 9.72 C ATOM 1912 CD GLN B 106 -14.059 6.543 -8.692 1.00 11.42 C ATOM 1913 OE1 GLN B 106 -13.437 6.759 -9.737 1.00 10.00 O ATOM 1914 NE2 GLN B 106 -13.820 5.488 -7.924 1.00 13.14 N ATOM 1915 HE22 GLN B 106 -14.368 5.345 -7.052 1.00 0.00 H ATOM 1916 HE21 GLN B 106 -13.085 4.804 -8.194 1.00 0.00 H ATOM 1917 H GLN B 106 -16.010 10.865 -10.308 1.00 0.00 H ATOM 1918 N SER B 107 -16.916 9.700 -6.211 1.00 10.41 N ATOM 1919 CA SER B 107 -16.829 10.258 -4.862 1.00 9.54 C ATOM 1920 C SER B 107 -15.999 9.435 -3.887 1.00 17.15 C ATOM 1921 O SER B 107 -15.459 10.006 -2.938 1.00 21.08 O ATOM 1922 CB SER B 107 -18.232 10.413 -4.270 1.00 12.87 C ATOM 1923 OG SER B 107 -18.866 9.150 -4.186 1.00 19.08 O ATOM 1924 HG SER B 107 -19.772 9.262 -3.802 1.00 0.00 H ATOM 1925 H SER B 107 -17.593 8.932 -6.396 1.00 0.00 H ATOM 1926 N VAL B 108 -15.964 8.111 -4.028 1.00 13.49 N ATOM 1927 CA VAL B 108 -15.146 7.229 -3.197 1.00 13.47 C ATOM 1928 C VAL B 108 -14.318 6.375 -4.136 1.00 10.74 C ATOM 1929 O VAL B 108 -14.857 5.822 -5.100 1.00 9.60 O ATOM 1930 CB VAL B 108 -15.998 6.306 -2.302 1.00 10.72 C ATOM 1931 CG1 VAL B 108 -15.099 5.361 -1.500 1.00 10.94 C ATOM 1932 CG2 VAL B 108 -16.885 7.122 -1.371 1.00 11.28 C ATOM 1933 H VAL B 108 -16.551 7.681 -4.771 1.00 0.00 H ATOM 1934 N TYR B 109 -13.020 6.265 -3.862 1.00 11.27 N ATOM 1935 CA TYR B 109 -12.125 5.472 -4.709 1.00 12.06 C ATOM 1936 C TYR B 109 -12.097 4.001 -4.276 1.00 11.94 C ATOM 1937 O TYR B 109 -11.083 3.410 -3.894 1.00 11.82 O ATOM 1938 CB TYR B 109 -10.756 6.134 -4.840 1.00 13.79 C ATOM 1939 CG TYR B 109 -10.804 7.198 -5.913 1.00 13.49 C ATOM 1940 CD1 TYR B 109 -11.354 8.447 -5.656 1.00 18.71 C ATOM 1941 CD2 TYR B 109 -10.377 6.925 -7.207 1.00 17.34 C ATOM 1942 CE1 TYR B 109 -11.440 9.411 -6.652 1.00 19.79 C ATOM 1943 CE2 TYR B 109 -10.456 7.887 -8.207 1.00 18.14 C ATOM 1944 CZ TYR B 109 -10.989 9.121 -7.922 1.00 15.12 C ATOM 1945 OH TYR B 109 -11.070 10.080 -8.914 1.00 18.69 O ATOM 1946 HH TYR B 109 -11.475 10.903 -8.543 1.00 0.00 H ATOM 1947 H TYR B 109 -12.633 6.752 -3.029 1.00 0.00 H ATOM 1948 N HIS B 110 -13.299 3.438 -4.337 1.00 10.37 N ATOM 1949 CA HIS B 110 -13.565 2.003 -4.270 1.00 9.41 C ATOM 1950 C HIS B 110 -14.713 1.812 -5.250 1.00 9.88 C ATOM 1951 O HIS B 110 -15.763 2.441 -5.086 1.00 10.74 O ATOM 1952 CB HIS B 110 -13.998 1.619 -2.845 1.00 9.87 C ATOM 1953 CG HIS B 110 -14.169 0.145 -2.627 1.00 8.13 C ATOM 1954 ND1 HIS B 110 -13.465 -0.546 -1.665 1.00 12.83 N ATOM 1955 CD2 HIS B 110 -14.975 -0.762 -3.231 1.00 9.67 C ATOM 1956 CE1 HIS B 110 -13.815 -1.822 -1.699 1.00 12.23 C ATOM 1957 NE2 HIS B 110 -14.734 -1.979 -2.635 1.00 9.72 N ATOM 1958 H HIS B 110 -14.118 4.071 -4.441 1.00 0.00 H ATOM 1959 N VAL B 111 -14.522 0.935 -6.245 1.00 8.89 N ATOM 1960 CA VAL B 111 -15.514 0.747 -7.304 1.00 9.27 C ATOM 1961 C VAL B 111 -16.895 0.545 -6.703 1.00 10.54 C ATOM 1962 O VAL B 111 -17.068 -0.228 -5.755 1.00 10.57 O ATOM 1963 CB VAL B 111 -15.108 -0.439 -8.196 1.00 10.51 C ATOM 1964 CG1 VAL B 111 -16.289 -0.911 -9.048 1.00 12.50 C ATOM 1965 CG2 VAL B 111 -13.946 -0.044 -9.074 1.00 9.44 C ATOM 1966 H VAL B 111 -13.647 0.374 -6.265 1.00 0.00 H ATOM 1967 N HIS B 112 -17.887 1.255 -7.241 1.00 10.10 N ATOM 1968 CA HIS B 112 -19.241 1.088 -6.730 1.00 10.17 C ATOM 1969 C HIS B 112 -20.263 1.319 -7.831 1.00 11.71 C ATOM 1970 O HIS B 112 -20.125 2.241 -8.642 1.00 11.59 O ATOM 1971 CB HIS B 112 -19.537 1.961 -5.484 1.00 12.37 C ATOM 1972 CG HIS B 112 -19.231 3.422 -5.640 1.00 10.56 C ATOM 1973 ND1 HIS B 112 -17.945 3.920 -5.673 1.00 10.99 N ATOM 1974 CD2 HIS B 112 -20.050 4.500 -5.705 1.00 12.97 C ATOM 1975 CE1 HIS B 112 -17.986 5.237 -5.788 1.00 14.73 C ATOM 1976 NE2 HIS B 112 -19.252 5.613 -5.814 1.00 16.57 N ATOM 1977 H HIS B 112 -17.696 1.921 -8.017 1.00 0.00 H ATOM 1978 N LEU B 113 -21.273 0.459 -7.862 1.00 9.03 N ATOM 1979 CA LEU B 113 -22.387 0.562 -8.798 1.00 8.68 C ATOM 1980 C LEU B 113 -23.561 1.225 -8.080 1.00 8.74 C ATOM 1981 O LEU B 113 -24.105 0.659 -7.127 1.00 10.58 O ATOM 1982 CB LEU B 113 -22.780 -0.841 -9.248 1.00 7.81 C ATOM 1983 CG LEU B 113 -23.962 -0.942 -10.215 1.00 9.37 C ATOM 1984 CD1 LEU B 113 -23.569 -0.393 -11.577 1.00 12.68 C ATOM 1985 CD2 LEU B 113 -24.427 -2.395 -10.337 1.00 11.38 C ATOM 1986 H LEU B 113 -21.270 -0.329 -7.184 1.00 0.00 H ATOM 1987 N HIS B 114 -23.946 2.423 -8.524 1.00 8.12 N ATOM 1988 CA HIS B 114 -25.165 3.056 -8.032 1.00 9.47 C ATOM 1989 C HIS B 114 -26.363 2.412 -8.712 1.00 9.37 C ATOM 1990 O HIS B 114 -26.326 2.127 -9.914 1.00 9.22 O ATOM 1991 CB HIS B 114 -25.201 4.536 -8.424 1.00 9.63 C ATOM 1992 CG HIS B 114 -24.134 5.375 -7.799 1.00 8.18 C ATOM 1993 ND1 HIS B 114 -24.332 6.081 -6.630 1.00 9.84 N ATOM 1994 CD2 HIS B 114 -22.865 5.645 -8.191 1.00 11.64 C ATOM 1995 CE1 HIS B 114 -23.229 6.740 -6.324 1.00 11.69 C ATOM 1996 NE2 HIS B 114 -22.326 6.497 -7.258 1.00 12.07 N ATOM 1997 H HIS B 114 -23.366 2.915 -9.234 1.00 0.00 H ATOM 1998 N VAL B 115 -27.445 2.213 -7.955 1.00 9.25 N ATOM 1999 CA VAL B 115 -28.733 1.816 -8.522 1.00 9.71 C ATOM 2000 C VAL B 115 -29.794 2.770 -7.987 1.00 9.43 C ATOM 2001 O VAL B 115 -29.988 2.863 -6.767 1.00 10.27 O ATOM 2002 CB VAL B 115 -29.100 0.358 -8.199 1.00 9.86 C ATOM 2003 CG1 VAL B 115 -30.386 -0.026 -8.921 1.00 10.86 C ATOM 2004 CG2 VAL B 115 -27.978 -0.586 -8.598 1.00 11.07 C ATOM 2005 H VAL B 115 -27.369 2.345 -6.926 1.00 0.00 H ATOM 2006 N LEU B 116 -30.476 3.474 -8.888 1.00 9.27 N ATOM 2007 CA LEU B 116 -31.442 4.512 -8.528 1.00 9.20 C ATOM 2008 C LEU B 116 -32.793 4.241 -9.173 1.00 11.38 C ATOM 2009 O LEU B 116 -32.871 3.956 -10.371 1.00 11.81 O ATOM 2010 CB LEU B 116 -30.970 5.895 -9.001 1.00 12.07 C ATOM 2011 CG LEU B 116 -29.577 6.346 -8.557 1.00 10.93 C ATOM 2012 CD1 LEU B 116 -28.534 6.037 -9.628 1.00 13.52 C ATOM 2013 CD2 LEU B 116 -29.575 7.830 -8.198 1.00 13.13 C ATOM 2014 H LEU B 116 -30.314 3.277 -9.896 1.00 0.00 H ATOM 2015 N GLY B 117 -33.859 4.378 -8.395 1.00 10.84 N ATOM 2016 CA GLY B 117 -35.184 4.248 -8.952 1.00 13.76 C ATOM 2017 C GLY B 117 -36.226 4.814 -8.013 1.00 12.16 C ATOM 2018 O GLY B 117 -35.907 5.501 -7.040 1.00 12.76 O ATOM 2019 H GLY B 117 -33.739 4.579 -7.382 1.00 0.00 H ATOM 2020 N GLY B 118 -37.485 4.514 -8.322 1.00 15.05 N ATOM 2021 CA GLY B 118 -38.598 5.064 -7.579 1.00 16.77 C ATOM 2022 C GLY B 118 -39.053 6.420 -8.059 1.00 15.58 C ATOM 2023 O GLY B 118 -39.972 6.996 -7.462 1.00 18.51 O ATOM 2024 H GLY B 118 -37.673 3.869 -9.116 1.00 0.00 H ATOM 2025 N ARG B 119 -38.423 6.954 -9.104 1.00 13.56 N ATOM 2026 CA ARG B 119 -38.851 8.176 -9.766 1.00 15.81 C ATOM 2027 C ARG B 119 -38.401 8.086 -11.214 1.00 14.97 C ATOM 2028 O ARG B 119 -37.601 7.218 -11.581 1.00 14.35 O ATOM 2029 CB ARG B 119 -38.239 9.420 -9.120 1.00 14.84 C ATOM 2030 CG ARG B 119 -36.719 9.525 -9.262 1.00 13.19 C ATOM 2031 CD ARG B 119 -36.277 10.925 -8.883 1.00 13.88 C ATOM 2032 NE ARG B 119 -34.828 11.090 -8.784 1.00 14.96 N ATOM 2033 CZ ARG B 119 -34.029 11.428 -9.794 1.00 13.09 C ATOM 2034 NH1 ARG B 119 -34.517 11.594 -11.024 1.00 12.49 N ATOM 2035 NH2 ARG B 119 -32.725 11.572 -9.580 1.00 12.21 N ATOM 2036 HE ARG B 119 -34.388 10.931 -7.855 1.00 0.00 H ATOM 2037 HH12 ARG B 119 -33.882 11.858 -11.804 1.00 0.00 H ATOM 2038 HH11 ARG B 119 -35.533 11.459 -11.203 1.00 0.00 H ATOM 2039 HH22 ARG B 119 -32.095 11.836 -10.365 1.00 0.00 H ATOM 2040 HH21 ARG B 119 -32.334 11.421 -8.628 1.00 0.00 H ATOM 2041 H ARG B 119 -37.577 6.470 -9.467 1.00 0.00 H ATOM 2042 N GLN B 120 -38.924 8.983 -12.038 1.00 14.34 N ATOM 2043 CA GLN B 120 -38.432 9.103 -13.403 1.00 12.76 C ATOM 2044 C GLN B 120 -36.994 9.603 -13.372 1.00 13.70 C ATOM 2045 O GLN B 120 -36.709 10.661 -12.796 1.00 14.29 O ATOM 2046 CB GLN B 120 -39.296 10.079 -14.202 1.00 14.53 C ATOM 2047 CG GLN B 120 -38.846 10.233 -15.647 1.00 13.43 C ATOM 2048 CD GLN B 120 -39.033 8.956 -16.432 1.00 18.43 C ATOM 2049 OE1 GLN B 120 -40.161 8.508 -16.637 1.00 19.42 O ATOM 2050 NE2 GLN B 120 -37.925 8.348 -16.865 1.00 14.63 N ATOM 2051 HE22 GLN B 120 -36.993 8.764 -16.668 1.00 0.00 H ATOM 2052 HE21 GLN B 120 -37.995 7.458 -17.399 1.00 0.00 H ATOM 2053 H GLN B 120 -39.690 9.604 -11.708 1.00 0.00 H ATOM 2054 N MET B 121 -36.086 8.844 -13.978 1.00 11.66 N ATOM 2055 CA MET B 121 -34.723 9.307 -14.195 1.00 11.25 C ATOM 2056 C MET B 121 -34.678 10.050 -15.525 1.00 14.18 C ATOM 2057 O MET B 121 -35.365 9.673 -16.480 1.00 14.16 O ATOM 2058 CB MET B 121 -33.750 8.122 -14.200 1.00 12.43 C ATOM 2059 CG MET B 121 -33.820 7.239 -12.937 1.00 11.35 C ATOM 2060 SD MET B 121 -33.502 8.149 -11.404 1.00 13.93 S ATOM 2061 CE MET B 121 -31.811 8.687 -11.658 1.00 12.11 C ATOM 2062 H MET B 121 -36.357 7.895 -14.306 1.00 0.00 H ATOM 2063 N HIS B 122 -33.888 11.116 -15.582 1.00 10.73 N ATOM 2064 CA HIS B 122 -33.963 12.037 -16.707 1.00 11.63 C ATOM 2065 C HIS B 122 -32.744 11.920 -17.616 1.00 13.81 C ATOM 2066 O HIS B 122 -31.753 11.254 -17.310 1.00 12.49 O ATOM 2067 CB HIS B 122 -34.173 13.472 -16.209 1.00 12.03 C ATOM 2068 CG HIS B 122 -35.408 13.628 -15.380 1.00 17.12 C ATOM 2069 ND1 HIS B 122 -36.676 13.565 -15.917 1.00 27.77 N ATOM 2070 CD2 HIS B 122 -35.571 13.801 -14.048 1.00 25.52 C ATOM 2071 CE1 HIS B 122 -37.567 13.711 -14.953 1.00 21.19 C ATOM 2072 NE2 HIS B 122 -36.923 13.857 -13.810 1.00 25.66 N ATOM 2073 H HIS B 122 -33.209 11.295 -14.815 1.00 0.00 H ATOM 2074 N TRP B 123 -32.841 12.569 -18.768 1.00 11.55 N ATOM 2075 CA TRP B 123 -31.777 12.521 -19.754 1.00 10.36 C ATOM 2076 C TRP B 123 -31.457 13.969 -20.114 1.00 13.52 C ATOM 2077 O TRP B 123 -32.370 14.750 -20.382 1.00 15.51 O ATOM 2078 CB TRP B 123 -32.255 11.734 -20.975 1.00 11.23 C ATOM 2079 CG TRP B 123 -31.169 11.095 -21.800 1.00 10.70 C ATOM 2080 CD1 TRP B 123 -30.851 11.381 -23.098 1.00 12.69 C ATOM 2081 CD2 TRP B 123 -30.289 10.038 -21.394 1.00 10.86 C ATOM 2082 NE1 TRP B 123 -29.818 10.576 -23.525 1.00 11.07 N ATOM 2083 CE2 TRP B 123 -29.453 9.744 -22.495 1.00 11.87 C ATOM 2084 CE3 TRP B 123 -30.114 9.322 -20.199 1.00 10.71 C ATOM 2085 CZ2 TRP B 123 -28.465 8.763 -22.438 1.00 10.11 C ATOM 2086 CZ3 TRP B 123 -29.138 8.343 -20.148 1.00 10.34 C ATOM 2087 CH2 TRP B 123 -28.321 8.076 -21.257 1.00 9.52 C ATOM 2088 HE1 TRP B 123 -29.386 10.595 -24.471 1.00 0.00 H ATOM 2089 H TRP B 123 -33.697 13.124 -18.969 1.00 0.00 H ATOM 2090 N PRO B 124 -30.165 14.343 -20.110 1.00 11.22 N ATOM 2091 CA PRO B 124 -28.971 13.505 -19.920 1.00 13.67 C ATOM 2092 C PRO B 124 -28.774 13.019 -18.482 1.00 11.86 C ATOM 2093 O PRO B 124 -29.352 13.592 -17.559 1.00 10.67 O ATOM 2094 CB PRO B 124 -27.834 14.448 -20.314 1.00 12.67 C ATOM 2095 CG PRO B 124 -28.334 15.809 -19.921 1.00 12.13 C ATOM 2096 CD PRO B 124 -29.816 15.771 -20.231 1.00 13.32 C ATOM 2097 N PRO B 125 -27.960 11.972 -18.293 1.00 9.56 N ATOM 2098 CA PRO B 125 -27.744 11.415 -16.946 1.00 10.42 C ATOM 2099 C PRO B 125 -26.670 12.189 -16.190 1.00 12.95 C ATOM 2100 O PRO B 125 -25.608 11.660 -15.841 1.00 10.77 O ATOM 2101 CB PRO B 125 -27.320 9.976 -17.261 1.00 9.23 C ATOM 2102 CG PRO B 125 -26.509 10.133 -18.546 1.00 9.87 C ATOM 2103 CD PRO B 125 -27.179 11.252 -19.326 1.00 11.41 C ATOM 2104 N GLY B 126 -26.948 13.466 -15.946 1.00 10.82 N ATOM 2105 CA GLY B 126 -25.941 14.374 -15.432 1.00 12.06 C ATOM 2106 C GLY B 126 -25.122 14.983 -16.548 1.00 12.84 C ATOM 2107 O GLY B 126 -24.118 15.656 -16.295 1.00 11.43 O ATOM 2108 OXT GLY B 126 -25.437 14.816 -17.738 1.00 14.73 O ATOM 2109 H GLY B 126 -27.908 13.821 -16.128 1.00 0.00 H TER 2110 GLY B 126 HETATM 2111 O HOH 1 -39.122 2.249 -21.680 1.00 24.54 O HETATM 2112 O HOH 2 -12.061 -11.033 -24.100 1.00 31.07 O HETATM 2113 O HOH 3 -25.444 -14.559 -10.492 1.00 30.30 O HETATM 2114 O HOH 4 -41.497 6.131 -16.277 1.00 18.12 O HETATM 2115 O HOH 5 -30.168 -13.235 -13.087 1.00 21.96 O HETATM 2116 O HOH 6 -32.190 -3.925 -43.518 1.00 18.85 O HETATM 2117 O HOH 7 -13.597 13.161 -19.522 1.00 11.72 O HETATM 2118 O HOH 8 -15.426 19.917 -21.935 1.00 15.81 O HETATM 2119 O HOH 9 -28.775 1.168 -21.014 1.00 12.55 O HETATM 2120 O HOH 10 -23.193 -1.296 -38.400 1.00 13.79 O HETATM 2121 O HOH 11 -21.025 -6.203 -35.070 1.00 15.36 O HETATM 2122 O HOH 12 -18.386 -15.832 -28.519 1.00 25.93 O HETATM 2123 O HOH 13 -23.754 -14.627 -21.681 1.00 24.43 O HETATM 2124 O HOH 14 -10.336 3.914 -18.649 1.00 15.06 O HETATM 2125 O HOH 15 -38.168 -2.538 -15.544 1.00 27.45 O HETATM 2126 O HOH 16 -32.445 -6.653 -31.136 1.00 13.26 O HETATM 2127 O HOH 17 -14.575 14.460 -25.977 1.00 11.49 O HETATM 2128 O HOH 18 -12.675 -12.178 -30.358 1.00 33.41 O HETATM 2129 O HOH 19 -42.634 7.123 -12.819 1.00 34.72 O HETATM 2130 O HOH 20 -21.416 10.480 -30.542 1.00 18.16 O HETATM 2131 O HOH 21 -21.372 -3.714 -36.193 1.00 17.77 O HETATM 2132 O HOH 22 -27.807 16.527 -12.890 1.00 19.67 O HETATM 2133 O HOH 23 -22.585 5.528 -34.505 1.00 14.03 O HETATM 2134 O HOH 24 -20.065 3.703 -40.601 1.00 29.39 O HETATM 2135 O HOH 25 -22.600 -11.474 -26.691 1.00 13.01 O HETATM 2136 O HOH 26 -8.669 10.375 -14.240 1.00 31.95 O HETATM 2137 O HOH 27 -19.977 -13.556 -32.241 1.00 19.65 O HETATM 2138 O HOH 28 -41.807 5.471 -9.910 1.00 27.48 O HETATM 2139 O HOH 29 -28.772 10.073 -26.142 1.00 12.54 O HETATM 2140 O HOH 30 -11.673 -9.032 -26.952 1.00 26.58 O HETATM 2141 O HOH 31 -21.562 -14.421 -19.763 1.00 14.66 O HETATM 2142 O HOH 32 -13.876 6.756 -32.587 1.00 17.34 O HETATM 2143 O HOH 33 -17.205 12.265 -29.785 1.00 13.71 O HETATM 2144 O HOH 34 -31.801 -2.502 -19.349 1.00 13.61 O HETATM 2145 O HOH 35 -31.229 9.105 -30.713 1.00 24.20 O HETATM 2146 O HOH 36 -33.331 5.947 -28.706 1.00 20.91 O HETATM 2147 O HOH 37 -20.454 19.998 -17.794 1.00 21.64 O HETATM 2148 O HOH 38 -18.993 10.247 -29.101 1.00 11.47 O HETATM 2149 O HOH 39 -32.440 -12.689 -20.952 1.00 25.51 O HETATM 2150 O HOH 40 -25.619 4.752 -36.143 1.00 16.18 O HETATM 2151 O HOH 41 -20.517 -15.268 -9.574 1.00 28.17 O HETATM 2152 O HOH 42 -33.909 -6.829 -39.947 1.00 24.58 O HETATM 2153 O HOH 43 -11.266 -7.611 -31.266 1.00 28.63 O HETATM 2154 O HOH 44 -36.691 -1.579 -28.380 1.00 12.30 O HETATM 2155 O HOH 45 -27.089 15.354 -29.168 1.00 24.63 O HETATM 2156 O HOH 46 -10.532 14.004 -23.175 1.00 20.33 O HETATM 2157 O HOH 47 -15.273 -3.581 -36.436 1.00 19.31 O HETATM 2158 O HOH 48 -35.487 -8.566 -12.390 1.00 21.28 O HETATM 2159 O HOH 49 -21.242 14.173 -10.808 1.00 10.35 O HETATM 2160 O HOH 50 -30.496 -16.953 -14.359 1.00 25.13 O HETATM 2161 O HOH 51 -28.050 -18.606 -15.873 1.00 27.09 O HETATM 2162 O HOH 52 -19.227 -14.161 -21.630 1.00 24.56 O HETATM 2163 O HOH 53 -11.031 13.285 -20.196 1.00 22.12 O HETATM 2164 O HOH 54 -15.063 17.768 -10.149 1.00 23.99 O HETATM 2165 O HOH 55 -15.621 4.800 -36.338 1.00 29.95 O HETATM 2166 O HOH 56 -6.917 6.966 -19.265 1.00 35.89 O HETATM 2167 O HOH 57 -30.061 -13.817 -21.476 1.00 25.03 O HETATM 2168 O HOH 58 -40.695 -0.253 -17.603 1.00 22.33 O HETATM 2169 O HOH 59 -40.793 -1.145 -20.085 1.00 25.98 O HETATM 2170 O HOH 60 -21.669 -8.795 -38.023 1.00 23.45 O HETATM 2171 O HOH 61 -33.941 -10.987 -23.385 1.00 20.43 O HETATM 2172 O HOH 62 -19.268 -11.844 -34.645 1.00 31.35 O HETATM 2173 O HOH 63 -17.113 20.584 -18.073 1.00 19.98 O HETATM 2174 O HOH 64 -17.694 -2.282 -39.319 1.00 17.65 O HETATM 2175 O HOH 65 -20.285 14.920 -29.282 1.00 23.23 O HETATM 2176 O HOH 66 -20.793 -15.601 -16.380 1.00 18.14 O HETATM 2177 O HOH 67 -24.596 -0.549 -42.955 1.00 23.27 O HETATM 2178 O HOH 68 -17.192 2.364 -38.318 1.00 18.47 O HETATM 2179 O HOH 69 -12.121 -3.725 -33.174 1.00 20.48 O HETATM 2180 O HOH 70 -29.409 5.164 -37.899 1.00 35.67 O HETATM 2181 O HOH 71 -29.880 -1.505 -21.366 1.00 13.39 O HETATM 2182 O HOH 72 -28.936 -13.101 -30.283 1.00 22.70 O HETATM 2183 O HOH 73 -21.257 0.106 -39.694 1.00 21.84 O HETATM 2184 O HOH 74 -11.262 -6.994 -23.110 1.00 26.61 O HETATM 2185 O HOH 75 -7.594 0.555 -20.150 1.00 28.02 O HETATM 2186 O HOH 76 -12.979 0.213 -35.637 1.00 34.14 O HETATM 2187 O HOH 77 -9.908 7.862 -16.723 1.00 33.58 O HETATM 2188 O HOH 78 -22.226 18.141 -23.523 1.00 20.88 O HETATM 2189 O HOH 79 -32.994 15.096 -11.547 1.00 35.91 O HETATM 2190 O HOH 80 -35.176 -7.974 -30.844 1.00 8.65 O HETATM 2191 O HOH 81 -13.447 -10.523 -32.875 1.00 27.71 O HETATM 2192 O HOH 82 -18.529 0.316 -39.772 1.00 20.08 O HETATM 2193 O HOH 83 -20.093 21.953 -15.379 1.00 30.73 O HETATM 2194 O HOH 84 -23.057 -16.206 -8.818 1.00 27.11 O HETATM 2195 O HOH 85 -21.774 16.696 -28.518 1.00 40.56 O HETATM 2196 O HOH 86 -31.618 10.812 -26.854 1.00 29.76 O HETATM 2197 O HOH 87 -23.867 -17.312 -11.411 1.00 34.78 O HETATM 2198 O HOH 88 -35.303 -10.931 -30.707 1.00 24.09 O HETATM 2199 O HOH 89 -36.196 -0.059 -31.860 1.00 3.06 O HETATM 2200 O HOH 90 -22.028 -0.195 -42.346 1.00 28.29 O HETATM 2201 O HOH 91 -23.961 7.059 -36.677 1.00 31.38 O HETATM 2202 O HOH 92 -15.304 -2.201 -38.544 1.00 23.01 O HETATM 2203 O HOH 93 -22.857 -13.408 -32.710 1.00 32.38 O HETATM 2204 O HOH 94 -20.283 -2.048 -43.183 1.00 32.24 O HETATM 2205 O HOH 95 -17.273 21.443 -20.557 1.00 24.76 O HETATM 2206 O HOH 96 -19.516 20.185 -23.044 1.00 27.09 O HETATM 2207 O HOH 97 -22.068 -13.739 -25.248 1.00 31.44 O HETATM 2208 O HOH 98 -17.523 0.570 -42.440 1.00 28.47 O HETATM 2209 O HOH 99 -8.336 -5.867 -10.343 1.00 35.22 O HETATM 2210 O HOH 100 -10.017 -0.525 1.901 1.00 27.75 O HETATM 2211 O HOH 101 -12.624 16.611 -19.992 1.00 18.14 O HETATM 2212 O HOH 102 -11.103 -8.358 -20.923 1.00 34.53 O HETATM 2213 O HOH 103 -11.918 0.751 0.282 1.00 14.50 O HETATM 2214 O HOH 104 -13.504 17.214 -13.598 1.00 17.37 O HETATM 2215 O HOH 105 -25.028 -8.899 5.673 1.00 23.44 O HETATM 2216 O HOH 106 -15.611 -17.591 -1.272 1.00 13.93 O HETATM 2217 O HOH 107 -10.010 8.538 -14.607 1.00 30.31 O HETATM 2218 O HOH 108 -15.689 -13.656 1.497 1.00 18.26 O HETATM 2219 O HOH 109 -11.950 -4.654 11.154 1.00 18.63 O HETATM 2220 O HOH 110 -24.868 -14.205 -4.473 1.00 12.96 O HETATM 2221 O HOH 111 -30.722 12.832 0.013 1.00 25.85 O HETATM 2222 O HOH 112 -11.827 -10.543 -9.870 1.00 26.89 O HETATM 2223 O HOH 113 -38.615 2.926 -10.351 1.00 16.22 O HETATM 2224 O HOH 114 -21.253 -1.915 7.919 1.00 13.23 O HETATM 2225 O HOH 115 -22.031 7.247 -2.593 1.00 26.07 O HETATM 2226 O HOH 116 -26.282 -13.037 2.851 1.00 24.57 O HETATM 2227 O HOH 117 -18.774 2.888 14.148 1.00 26.11 O HETATM 2228 O HOH 118 -14.593 4.045 -10.967 1.00 14.09 O HETATM 2229 O HOH 119 -26.951 2.772 4.498 1.00 16.45 O HETATM 2230 O HOH 120 -14.045 -11.957 -11.807 1.00 16.80 O HETATM 2231 O HOH 121 -19.399 4.855 -9.045 1.00 9.96 O HETATM 2232 O HOH 122 -34.001 9.325 -18.837 1.00 14.84 O HETATM 2233 O HOH 123 -35.088 3.699 -0.147 1.00 30.28 O HETATM 2234 O HOH 124 -31.002 15.593 -16.641 1.00 21.32 O HETATM 2235 O HOH 125 -34.619 -6.012 -11.816 1.00 15.44 O HETATM 2236 O HOH 126 -41.271 9.421 -7.229 1.00 34.16 O HETATM 2237 O HOH 127 -38.823 3.614 -4.251 1.00 30.09 O HETATM 2238 O HOH 128 -32.609 3.763 -0.829 1.00 16.84 O HETATM 2239 O HOH 129 -20.168 13.668 -8.193 1.00 13.09 O HETATM 2240 O HOH 130 -38.179 12.619 -11.496 1.00 29.43 O HETATM 2241 O HOH 131 -30.832 5.538 0.622 1.00 19.48 O HETATM 2242 O HOH 132 -33.680 -2.553 2.439 1.00 23.28 O HETATM 2243 O HOH 133 -13.746 18.945 -17.265 1.00 22.62 O HETATM 2244 O HOH 134 -25.349 10.284 -3.776 1.00 17.63 O HETATM 2245 O HOH 135 -23.177 4.306 6.119 1.00 17.47 O HETATM 2246 O HOH 136 -14.842 -8.955 -4.458 1.00 15.48 O HETATM 2247 O HOH 137 -41.373 5.796 -5.341 1.00 35.80 O HETATM 2248 O HOH 138 -42.474 10.033 -16.130 1.00 33.89 O HETATM 2249 O HOH 139 -25.231 -14.603 0.144 1.00 13.63 O HETATM 2250 O HOH 140 -16.297 -10.332 3.926 1.00 34.89 O HETATM 2251 O HOH 141 -40.384 -2.181 -16.049 1.00 27.57 O HETATM 2252 O HOH 142 -13.876 -13.005 -14.952 1.00 22.23 O HETATM 2253 O HOH 143 -26.763 -13.925 -8.471 1.00 29.84 O HETATM 2254 O HOH 144 -40.339 -5.638 -8.250 1.00 28.77 O HETATM 2255 O HOH 145 -13.074 12.207 -8.493 1.00 24.54 O HETATM 2256 O HOH 146 -22.497 5.333 9.130 1.00 17.88 O HETATM 2257 O HOH 147 -40.995 10.825 -11.207 1.00 25.17 O HETATM 2258 O HOH 148 -10.288 7.409 1.868 1.00 25.15 O HETATM 2259 O HOH 149 -11.713 7.807 -1.787 1.00 16.33 O HETATM 2260 O HOH 150 -28.314 13.792 1.346 1.00 33.06 O HETATM 2261 O HOH 151 -7.194 -0.827 -7.334 1.00 22.31 O HETATM 2262 O HOH 152 -7.901 2.485 -18.224 1.00 22.37 O HETATM 2263 O HOH 153 -35.485 13.612 -19.443 1.00 26.57 O HETATM 2264 O HOH 154 -9.649 12.191 -12.557 1.00 21.96 O HETATM 2265 O HOH 155 -13.130 7.415 2.338 1.00 11.53 O HETATM 2266 O HOH 156 -6.623 -9.940 -16.069 1.00 31.30 O HETATM 2267 O HOH 157 -20.810 -0.964 12.807 1.00 26.98 O HETATM 2268 O HOH 158 -40.605 1.168 -9.748 1.00 18.80 O HETATM 2269 O HOH 159 -23.247 -7.873 9.210 1.00 19.32 O HETATM 2270 O HOH 160 -37.098 -4.669 -10.970 1.00 26.47 O HETATM 2271 O HOH 161 -13.077 11.612 -5.097 1.00 21.77 O HETATM 2272 O HOH 162 -28.003 -3.548 8.017 1.00 23.69 O HETATM 2273 O HOH 163 -16.754 3.615 -8.824 1.00 11.89 O HETATM 2274 O HOH 164 -17.395 -13.356 -9.303 1.00 19.41 O HETATM 2275 O HOH 165 -27.906 -10.983 2.348 1.00 24.88 O HETATM 2276 O HOH 166 -24.184 4.000 3.474 1.00 20.60 O HETATM 2277 O HOH 167 -17.898 -10.337 5.677 1.00 27.21 O HETATM 2278 O HOH 168 -10.665 -4.562 4.093 1.00 35.61 O HETATM 2279 O HOH 169 -35.682 1.166 -0.935 1.00 30.24 O HETATM 2280 O HOH 170 -21.454 10.170 -5.811 1.00 30.91 O HETATM 2281 O HOH 171 -24.629 14.048 -3.037 1.00 31.22 O HETATM 2282 O HOH 172 -35.635 11.976 -5.686 1.00 27.23 O HETATM 2283 O HOH 173 -34.401 -10.317 -10.535 1.00 26.61 O HETATM 2284 O HOH 174 -23.612 -2.564 9.170 1.00 24.32 O HETATM 2285 O HOH 175 -18.680 -16.712 -10.609 1.00 25.98 O HETATM 2286 O HOH 176 -27.843 0.479 10.302 1.00 40.37 O HETATM 2287 O HOH 177 -38.961 5.626 0.000 1.00 35.61 O HETATM 2288 O HOH 178 -25.701 12.117 5.249 1.00 23.16 O HETATM 2289 O HOH 179 -26.084 18.441 -17.835 1.00 37.46 O HETATM 2290 O HOH 180 -40.996 7.734 -20.230 1.00 38.14 O HETATM 2291 O HOH 181 -26.007 5.010 8.074 1.00 37.23 O HETATM 2292 O HOH 182 -11.471 -2.250 1.173 1.00 30.59 O HETATM 2293 O HOH 183 -18.807 -17.740 -13.009 1.00 30.37 O HETATM 2294 O HOH 184 -33.390 3.184 3.671 1.00 41.07 O HETATM 2295 O HOH 185 -27.061 3.287 9.171 1.00 31.36 O HETATM 2296 O HOH 186 -14.623 -13.508 -9.683 1.00 26.44 O HETATM 2297 O HOH 187 -14.190 -16.338 -9.786 1.00 33.48 O HETATM 2298 O HOH 188 -39.516 -6.102 -10.713 1.00 34.77 O HETATM 2299 O HOH 189 -13.907 7.250 6.799 1.00 15.39 O HETATM 2300 O HOH 190 -12.799 -11.971 -7.836 1.00 24.02 O HETATM 2301 N1 KB A 7 -27.395 4.731 -33.996 1.00 -0.25 N HETATM 2302 C2 KB A 7 -26.672 5.013 -32.896 1.00 0.20 C HETATM 2303 N3 KB A 7 -27.232 5.222 -31.675 1.00 -0.19 N HETATM 2304 C4 KB A 7 -28.574 5.119 -31.533 1.00 0.33 C HETATM 2305 C5 KB A 7 -29.417 4.802 -32.690 1.00 0.26 C HETATM 2306 C6 KB A 7 -28.730 4.606 -33.977 1.00 0.26 C HETATM 2307 O6 KB A 7 -29.388 4.346 -35.015 1.00 -0.36 O HETATM 2308 N7 KB A 7 -30.693 4.766 -32.260 1.00 -0.19 N HETATM 2309 C8 KB A 7 -30.677 5.040 -30.933 1.00 0.19 C HETATM 2310 N9 KB A 7 -29.413 5.241 -30.514 1.00 -0.10 N HETATM 2311 C1' KB A 7 -29.015 5.592 -29.161 1.00 0.22 C HETATM 2312 C2' KB A 7 -29.798 6.783 -28.623 1.00 0.14 C HETATM 2313 O2' KB A 7 -29.273 8.020 -29.067 1.00 -0.38 O HETATM 2314 H6 KB A 7 -28.373 8.104 -28.775 1.00 0.21 H HETATM 2315 C3' KB A 7 -29.758 6.547 -27.102 1.00 0.12 C HETATM 2316 O3' KB A 7 -28.741 7.337 -26.477 1.00 -0.39 O HETATM 2317 H8 KB A 7 -28.915 8.258 -26.635 1.00 0.21 H HETATM 2318 C4' KB A 7 -29.423 5.055 -26.973 1.00 0.12 C HETATM 2319 O4' KB A 7 -29.351 4.536 -28.314 1.00 -0.33 O HETATM 2320 C5' KB A 7 -30.421 4.267 -26.186 1.00 0.11 C HETATM 2321 O5' KB A 7 -30.568 4.871 -24.912 1.00 -0.26 O HETATM 2322 C1 KB A 7 -31.636 4.487 -24.031 1.00 0.32 C HETATM 2323 O2 KB A 7 -32.190 3.414 -24.203 1.00 -0.38 O HETATM 2324 N4 KB A 7 -31.924 5.378 -23.093 1.00 -0.26 N HETATM 2325 C7 KB A 7 -31.357 6.720 -23.184 1.00 0.03 C HETATM 2326 C9 KB A 7 -32.279 7.688 -23.897 1.00 -0.04 C HETATM 2327 H17 KB A 7 -31.807 8.681 -23.939 1.00 0.02 H HETATM 2328 H18 KB A 7 -33.231 7.758 -23.351 1.00 0.02 H HETATM 2329 H19 KB A 7 -32.468 7.329 -24.919 1.00 0.02 H HETATM 2330 H15 KB A 7 -30.407 6.666 -23.735 1.00 0.05 H HETATM 2331 H16 KB A 7 -31.170 7.094 -22.167 1.00 0.05 H HETATM 2332 H3 KB A 7 -32.523 5.133 -22.331 1.00 0.19 H HETATM 2333 H10 KB A 7 -30.067 3.232 -26.067 1.00 0.06 H HETATM 2334 H11 KB A 7 -31.388 4.265 -26.709 1.00 0.06 H HETATM 2335 H9 KB A 7 -28.443 4.954 -26.483 1.00 0.07 H HETATM 2336 H7 KB A 7 -30.733 6.774 -26.646 1.00 0.06 H HETATM 2337 H5 KB A 7 -30.841 6.730 -28.968 1.00 0.07 H HETATM 2338 H4 KB A 7 -27.935 5.797 -29.133 1.00 0.10 H HETATM 2339 H14 KB A 7 -31.559 5.090 -30.297 1.00 0.18 H HETATM 2340 H2 KB A 7 -26.640 5.457 -30.865 1.00 0.25 H HETATM 2341 N2 KB A 7 -25.331 5.113 -33.020 1.00 -0.33 N HETATM 2342 H12 KB A 7 -24.886 4.959 -33.936 1.00 0.18 H HETATM 2343 H13 KB A 7 -24.754 5.344 -32.199 1.00 0.18 H HETATM 2344 H1 KB A 7 -26.916 4.609 -34.865 1.00 0.18 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1065 1066 1069 1070 1071 CONECT 1069 1065 CONECT 1070 1065 CONECT 1071 1065 CONECT 2301 2302 2306 2344 CONECT 2302 2301 2303 2341 CONECT 2303 2302 2304 2340 CONECT 2304 2303 2305 2310 CONECT 2305 2304 2306 2308 CONECT 2306 2301 2305 2307 CONECT 2307 2306 CONECT 2308 2305 2309 CONECT 2309 2308 2310 2339 CONECT 2310 2304 2309 2311 CONECT 2311 2310 2312 2319 2338 CONECT 2312 2311 2313 2315 2337 CONECT 2313 2312 2314 CONECT 2314 2313 CONECT 2315 2312 2316 2318 2336 CONECT 2316 2315 2317 CONECT 2317 2316 CONECT 2318 2315 2319 2320 2335 CONECT 2319 2311 2318 CONECT 2320 2318 2321 2333 2334 CONECT 2321 2320 2322 CONECT 2322 2321 2323 2324 CONECT 2323 2322 CONECT 2324 2322 2325 2332 CONECT 2325 2324 2326 2330 2331 CONECT 2326 2325 2327 2328 2329 CONECT 2327 2326 CONECT 2328 2326 CONECT 2329 2326 CONECT 2330 2325 CONECT 2331 2325 CONECT 2332 2324 CONECT 2333 2320 CONECT 2334 2320 CONECT 2335 2318 CONECT 2336 2315 CONECT 2337 2312 CONECT 2338 2311 CONECT 2339 2309 CONECT 2340 2303 CONECT 2341 2302 2342 2343 CONECT 2342 2341 CONECT 2343 2341 CONECT 2344 2301 MASTER 0 0 0 0 0 0 0 0 2342 2 52 18 END
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Related entries of code: 6n3v
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
129aa, >5I2E_1|Chains... *
5i2f
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129aa, >5I2F_1|Chains... at 100%
5ipc
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129aa, >5IPC_1|Chains... at 99%
5kly
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129aa, >5KLY_1|Chains... at 99%
5klz
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PDBbind
129aa, >5KLZ_1|Chains... at 100%
5km0
RCSB PDB
PDBbind
129aa, >5KM0_1|Chains... at 100%
5km1
RCSB PDB
PDBbind
129aa, >5KM1_1|Chains... at 100%
5km2
RCSB PDB
PDBbind
129aa, >5KM2_1|Chains... at 100%
5km3
RCSB PDB
PDBbind
129aa, >5KM3_1|Chains... at 100%
5kma
RCSB PDB
PDBbind
129aa, >5KMA_1|Chains... at 99%
5wa8
RCSB PDB
PDBbind
129aa, >5WA8_1|Chains... at 99%
5wa9
RCSB PDB
PDBbind
129aa, >5WA9_1|Chains... at 99%
6n3y
RCSB PDB
PDBbind
129aa, >6N3Y_1|Chains... at 100%
6n3x
RCSB PDB
PDBbind
129aa, >6N3X_1|Chains... at 100%
6n3w
RCSB PDB
PDBbind
129aa, >6N3W_1|Chains... at 100%
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
6n3v
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
HINT1
Ligand Name
KB7
EC.Number
E.C.-.-.-.-
Resolution
1.45(Å)
Affinity (Kd/Ki/IC50)
Kd=2.45uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Chem Neurosci Vol. 10: pp. 4385-4393
Ligand Properties
Formula
C
1
3
H
1
9
N
6
O
6
Molecular Weight
355.327
Exact Mass
355.137
No. of atoms
44
No. of bonds
46
Polar Surface Area
178.86
LOGP Value
-1.23 (
Computed with XLOGP3
)
-1.54 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
CCNC(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(N)[nH+]c2=O
InChI String
InChI=1S/C13H18N6O6/c1-2-15-13(23)24-3-5-7(20)8(21)11(25-5)19-4-16-6-9(19)17-12(14)18-10(6)22/h4-5,7-8,11,20-21H,2-3H2,1H3,(H,15,23)(H3,14,17,18,22)/p+1/t5-,7-,8-,11-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P49773
Entrez Gene ID
NCBI Entrez Gene ID:
3094
ASD
Information of known allosteric effects of PDB entries
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