Browse entries in the PDBbind-CN Database
HEADER 6N3X_COMPLEX COMPND 6N3X_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 KBD A 510 51 ATOM 1 N ARG A 12 -32.851 -13.808 -37.341 1.00 34.35 N ATOM 2 CA ARG A 12 -31.588 -13.091 -37.483 1.00 21.90 C ATOM 3 C ARG A 12 -30.946 -12.852 -36.118 1.00 24.64 C ATOM 4 O ARG A 12 -31.590 -12.327 -35.211 1.00 20.20 O ATOM 5 CB ARG A 12 -31.806 -11.762 -38.211 1.00 23.25 C ATOM 6 CG ARG A 12 -32.083 -11.897 -39.703 1.00 22.36 C ATOM 7 CD ARG A 12 -32.704 -10.626 -40.266 1.00 21.77 C ATOM 8 NE ARG A 12 -33.993 -10.347 -39.639 1.00 23.23 N ATOM 9 CZ ARG A 12 -35.161 -10.766 -40.113 1.00 28.02 C ATOM 10 NH1 ARG A 12 -35.213 -11.479 -41.231 1.00 27.11 N ATOM 11 NH2 ARG A 12 -36.280 -10.473 -39.467 1.00 24.76 N ATOM 12 HE ARG A 12 -33.997 -9.784 -38.765 1.00 0.00 H ATOM 13 HH12 ARG A 12 -36.130 -11.805 -41.598 1.00 0.00 H ATOM 14 HH11 ARG A 12 -34.337 -11.712 -41.740 1.00 0.00 H ATOM 15 HH22 ARG A 12 -37.195 -10.800 -39.837 1.00 0.00 H ATOM 16 HH21 ARG A 12 -36.243 -9.916 -38.590 1.00 0.00 H ATOM 17 HN3 ARG A 12 -33.503 -13.247 -36.756 1.00 0.00 H ATOM 18 HN2 ARG A 12 -32.677 -14.727 -36.885 1.00 0.00 H ATOM 19 HN1 ARG A 12 -33.270 -13.960 -38.281 1.00 0.00 H ATOM 20 N PRO A 13 -29.677 -13.235 -35.974 1.00 17.18 N ATOM 21 CA PRO A 13 -29.017 -13.117 -34.666 1.00 14.23 C ATOM 22 C PRO A 13 -28.887 -11.665 -34.232 1.00 15.40 C ATOM 23 O PRO A 13 -28.436 -10.804 -34.994 1.00 14.83 O ATOM 24 CB PRO A 13 -27.645 -13.761 -34.904 1.00 17.21 C ATOM 25 CG PRO A 13 -27.424 -13.634 -36.375 1.00 17.86 C ATOM 26 CD PRO A 13 -28.776 -13.786 -37.001 1.00 16.84 C ATOM 27 N GLY A 14 -29.284 -11.399 -32.987 1.00 13.99 N ATOM 28 CA GLY A 14 -29.273 -10.072 -32.419 1.00 13.00 C ATOM 29 C GLY A 14 -30.628 -9.396 -32.389 1.00 9.66 C ATOM 30 O GLY A 14 -30.790 -8.394 -31.686 1.00 11.67 O ATOM 31 H GLY A 14 -29.618 -12.187 -32.396 1.00 0.00 H ATOM 32 N GLY A 15 -31.593 -9.912 -33.146 1.00 10.53 N ATOM 33 CA GLY A 15 -32.922 -9.328 -33.185 1.00 10.01 C ATOM 34 C GLY A 15 -33.015 -8.146 -34.132 1.00 7.39 C ATOM 35 O GLY A 15 -32.066 -7.783 -34.829 1.00 7.36 O ATOM 36 H GLY A 15 -31.391 -10.753 -33.723 1.00 0.00 H ATOM 37 N ASP A 16 -34.195 -7.517 -34.136 1.00 7.83 N ATOM 38 CA ASP A 16 -34.509 -6.463 -35.093 1.00 6.69 C ATOM 39 C ASP A 16 -34.686 -5.085 -34.468 1.00 6.97 C ATOM 40 O ASP A 16 -35.151 -4.167 -35.158 1.00 6.96 O ATOM 41 CB ASP A 16 -35.712 -6.853 -35.957 1.00 8.65 C ATOM 42 CG ASP A 16 -35.406 -8.020 -36.872 1.00 8.30 C ATOM 43 OD1 ASP A 16 -34.281 -8.069 -37.413 1.00 10.70 O ATOM 44 OD2 ASP A 16 -36.286 -8.892 -37.059 1.00 8.65 O ATOM 45 H ASP A 16 -34.912 -7.789 -33.433 1.00 0.00 H ATOM 46 N THR A 17 -34.311 -4.900 -33.200 1.00 7.34 N ATOM 47 CA THR A 17 -34.115 -3.536 -32.741 1.00 6.67 C ATOM 48 C THR A 17 -33.021 -2.883 -33.575 1.00 6.58 C ATOM 49 O THR A 17 -32.244 -3.547 -34.269 1.00 6.63 O ATOM 50 CB THR A 17 -33.700 -3.466 -31.264 1.00 7.52 C ATOM 51 OG1 THR A 17 -32.368 -3.990 -31.095 1.00 8.68 O ATOM 52 CG2 THR A 17 -34.696 -4.192 -30.344 1.00 10.11 C ATOM 53 HG1 THR A 17 -32.345 -4.934 -31.394 1.00 0.00 H ATOM 54 H THR A 17 -34.164 -5.707 -32.561 1.00 0.00 H ATOM 55 N ILE A 18 -32.960 -1.556 -33.483 1.00 7.08 N ATOM 56 CA ILE A 18 -31.912 -0.809 -34.172 1.00 7.30 C ATOM 57 C ILE A 18 -30.539 -1.381 -33.841 1.00 6.00 C ATOM 58 O ILE A 18 -29.655 -1.446 -34.704 1.00 6.69 O ATOM 59 CB ILE A 18 -32.017 0.699 -33.855 1.00 8.67 C ATOM 60 CG1 ILE A 18 -30.822 1.481 -34.408 1.00 11.68 C ATOM 61 CG2 ILE A 18 -32.099 0.947 -32.363 1.00 10.68 C ATOM 62 CD1 ILE A 18 -30.722 1.477 -35.903 1.00 15.60 C ATOM 63 H ILE A 18 -33.666 -1.047 -32.914 1.00 0.00 H ATOM 64 N PHE A 19 -30.343 -1.832 -32.597 1.00 5.99 N ATOM 65 CA PHE A 19 -29.037 -2.355 -32.207 1.00 5.60 C ATOM 66 C PHE A 19 -28.758 -3.707 -32.857 1.00 5.69 C ATOM 67 O PHE A 19 -27.619 -3.984 -33.255 1.00 6.18 O ATOM 68 CB PHE A 19 -28.915 -2.418 -30.684 1.00 6.27 C ATOM 69 CG PHE A 19 -28.891 -1.065 -30.007 1.00 5.55 C ATOM 70 CD1 PHE A 19 -28.803 0.120 -30.728 1.00 7.25 C ATOM 71 CD2 PHE A 19 -28.935 -0.991 -28.627 1.00 7.30 C ATOM 72 CE1 PHE A 19 -28.790 1.346 -30.078 1.00 8.00 C ATOM 73 CE2 PHE A 19 -28.921 0.236 -27.972 1.00 8.86 C ATOM 74 CZ PHE A 19 -28.846 1.401 -28.702 1.00 8.47 C ATOM 75 H PHE A 19 -31.121 -1.810 -31.907 1.00 0.00 H ATOM 76 N GLY A 20 -29.778 -4.564 -32.974 1.00 5.77 N ATOM 77 CA GLY A 20 -29.601 -5.805 -33.717 1.00 8.15 C ATOM 78 C GLY A 20 -29.246 -5.553 -35.171 1.00 7.33 C ATOM 79 O GLY A 20 -28.378 -6.225 -35.738 1.00 8.97 O ATOM 80 H GLY A 20 -30.695 -4.345 -32.536 1.00 0.00 H ATOM 81 N LYS A 21 -29.904 -4.569 -35.789 1.00 7.93 N ATOM 82 CA LYS A 21 -29.577 -4.196 -37.164 1.00 8.96 C ATOM 83 C LYS A 21 -28.140 -3.695 -37.277 1.00 7.08 C ATOM 84 O LYS A 21 -27.441 -4.011 -38.252 1.00 8.14 O ATOM 85 CB LYS A 21 -30.537 -3.115 -37.670 1.00 10.29 C ATOM 86 CG LYS A 21 -32.027 -3.371 -37.488 1.00 15.39 C ATOM 87 CD LYS A 21 -32.611 -4.212 -38.613 1.00 14.09 C ATOM 88 CE LYS A 21 -32.476 -3.563 -39.987 1.00 9.28 C ATOM 89 NZ LYS A 21 -32.644 -4.643 -40.989 1.00 11.57 N ATOM 90 HZ1 LYS A 21 -31.908 -5.364 -40.847 1.00 0.00 H ATOM 91 HZ2 LYS A 21 -33.582 -5.077 -40.875 1.00 0.00 H ATOM 92 HZ3 LYS A 21 -32.559 -4.243 -41.945 1.00 0.00 H ATOM 93 H LYS A 21 -30.659 -4.061 -35.285 1.00 0.00 H ATOM 94 N ILE A 22 -27.694 -2.885 -36.312 1.00 5.91 N ATOM 95 CA ILE A 22 -26.318 -2.392 -36.314 1.00 5.83 C ATOM 96 C ILE A 22 -25.326 -3.542 -36.178 1.00 6.19 C ATOM 97 O ILE A 22 -24.299 -3.573 -36.867 1.00 6.44 O ATOM 98 CB ILE A 22 -26.138 -1.314 -35.227 1.00 6.64 C ATOM 99 CG1 ILE A 22 -26.832 -0.020 -35.661 1.00 6.53 C ATOM 100 CG2 ILE A 22 -24.660 -1.077 -34.908 1.00 6.88 C ATOM 101 CD1 ILE A 22 -26.889 1.051 -34.588 1.00 7.51 C ATOM 102 H ILE A 22 -28.337 -2.600 -35.546 1.00 0.00 H ATOM 103 N ILE A 23 -25.616 -4.507 -35.298 1.00 5.56 N ATOM 104 CA ILE A 23 -24.736 -5.665 -35.125 1.00 6.36 C ATOM 105 C ILE A 23 -24.505 -6.380 -36.452 1.00 6.37 C ATOM 106 O ILE A 23 -23.386 -6.811 -36.756 1.00 6.75 O ATOM 107 CB ILE A 23 -25.306 -6.617 -34.056 1.00 5.91 C ATOM 108 CG1 ILE A 23 -25.173 -5.998 -32.662 1.00 6.55 C ATOM 109 CG2 ILE A 23 -24.631 -7.986 -34.127 1.00 7.77 C ATOM 110 CD1 ILE A 23 -26.134 -6.580 -31.649 1.00 7.85 C ATOM 111 H ILE A 23 -26.482 -4.434 -34.726 1.00 0.00 H ATOM 112 N ARG A 24 -25.561 -6.543 -37.250 1.00 6.14 N ATOM 113 CA ARG A 24 -25.480 -7.260 -38.514 1.00 5.77 C ATOM 114 C ARG A 24 -25.063 -6.378 -39.689 1.00 6.30 C ATOM 115 O ARG A 24 -25.135 -6.830 -40.839 1.00 7.34 O ATOM 116 CB ARG A 24 -26.797 -7.982 -38.812 1.00 7.28 C ATOM 117 CG ARG A 24 -27.088 -9.110 -37.832 1.00 7.02 C ATOM 118 CD ARG A 24 -28.260 -9.981 -38.284 1.00 7.53 C ATOM 119 NE ARG A 24 -29.436 -9.166 -38.564 1.00 8.27 N ATOM 120 CZ ARG A 24 -30.326 -8.782 -37.654 1.00 7.67 C ATOM 121 NH1 ARG A 24 -30.213 -9.179 -36.392 1.00 8.72 N ATOM 122 NH2 ARG A 24 -31.341 -8.009 -38.014 1.00 9.05 N ATOM 123 HE ARG A 24 -29.590 -8.863 -39.547 1.00 0.00 H ATOM 124 HH12 ARG A 24 -30.913 -8.874 -35.686 1.00 0.00 H ATOM 125 HH11 ARG A 24 -29.424 -9.795 -36.109 1.00 0.00 H ATOM 126 HH22 ARG A 24 -32.040 -7.706 -37.306 1.00 0.00 H ATOM 127 HH21 ARG A 24 -31.438 -7.706 -39.004 1.00 0.00 H ATOM 128 H ARG A 24 -26.476 -6.143 -36.958 1.00 0.00 H ATOM 129 N LYS A 25 -24.619 -5.146 -39.438 1.00 7.15 N ATOM 130 CA LYS A 25 -24.164 -4.236 -40.485 1.00 7.40 C ATOM 131 C LYS A 25 -25.283 -3.844 -41.441 1.00 7.27 C ATOM 132 O LYS A 25 -25.017 -3.457 -42.580 1.00 7.37 O ATOM 133 CB LYS A 25 -22.949 -4.773 -41.267 1.00 9.43 C ATOM 134 CG LYS A 25 -21.881 -5.458 -40.430 1.00 8.90 C ATOM 135 CD LYS A 25 -21.178 -4.479 -39.520 1.00 8.69 C ATOM 136 CE LYS A 25 -20.007 -5.135 -38.783 1.00 7.93 C ATOM 137 NZ LYS A 25 -19.438 -4.187 -37.786 1.00 6.92 N ATOM 138 HZ1 LYS A 25 -19.101 -3.333 -38.275 1.00 0.00 H ATOM 139 HZ2 LYS A 25 -20.173 -3.927 -37.098 1.00 0.00 H ATOM 140 HZ3 LYS A 25 -18.644 -4.641 -37.291 1.00 0.00 H ATOM 141 H LYS A 25 -24.596 -4.818 -38.451 1.00 0.00 H ATOM 142 N GLU A 26 -26.540 -3.953 -41.015 1.00 7.38 N ATOM 143 CA GLU A 26 -27.668 -3.597 -41.866 1.00 7.57 C ATOM 144 C GLU A 26 -28.008 -2.120 -41.787 1.00 8.44 C ATOM 145 O GLU A 26 -28.617 -1.576 -42.721 1.00 10.76 O ATOM 146 CB GLU A 26 -28.886 -4.455 -41.502 1.00 7.15 C ATOM 147 CG GLU A 26 -28.648 -5.928 -41.789 1.00 8.61 C ATOM 148 CD GLU A 26 -29.611 -6.857 -41.075 1.00 7.89 C ATOM 149 OE1 GLU A 26 -30.514 -6.372 -40.351 1.00 9.60 O ATOM 150 OE2 GLU A 26 -29.452 -8.089 -41.219 1.00 9.44 O ATOM 151 H GLU A 26 -26.721 -4.301 -40.052 1.00 0.00 H ATOM 152 N ILE A 27 -27.613 -1.464 -40.703 1.00 7.72 N ATOM 153 CA ILE A 27 -27.747 -0.022 -40.533 1.00 9.03 C ATOM 154 C ILE A 27 -26.378 0.495 -40.106 1.00 7.87 C ATOM 155 O ILE A 27 -25.743 -0.114 -39.232 1.00 7.99 O ATOM 156 CB ILE A 27 -28.832 0.309 -39.496 1.00 12.29 C ATOM 157 CG1 ILE A 27 -30.215 -0.017 -40.071 1.00 13.70 C ATOM 158 CG2 ILE A 27 -28.737 1.767 -39.051 1.00 13.96 C ATOM 159 CD1 ILE A 27 -31.366 0.328 -39.163 1.00 21.41 C ATOM 160 H ILE A 27 -27.183 -2.010 -39.930 1.00 0.00 H ATOM 161 N PRO A 28 -25.874 1.583 -40.684 1.00 7.85 N ATOM 162 CA PRO A 28 -24.509 2.015 -40.362 1.00 8.31 C ATOM 163 C PRO A 28 -24.388 2.600 -38.965 1.00 7.73 C ATOM 164 O PRO A 28 -25.330 3.170 -38.407 1.00 9.28 O ATOM 165 CB PRO A 28 -24.214 3.091 -41.415 1.00 10.03 C ATOM 166 CG PRO A 28 -25.178 2.834 -42.521 1.00 14.74 C ATOM 167 CD PRO A 28 -26.413 2.287 -41.861 1.00 10.19 C ATOM 168 N ALA A 29 -23.185 2.475 -38.418 1.00 7.16 N ATOM 169 CA ALA A 29 -22.834 3.082 -37.147 1.00 6.53 C ATOM 170 C ALA A 29 -21.352 3.407 -37.183 1.00 6.70 C ATOM 171 O ALA A 29 -20.609 2.913 -38.036 1.00 7.24 O ATOM 172 CB ALA A 29 -23.149 2.150 -35.972 1.00 8.74 C ATOM 173 H ALA A 29 -22.464 1.919 -38.921 1.00 0.00 H ATOM 174 N LYS A 30 -20.928 4.263 -36.257 1.00 6.38 N ATOM 175 CA LYS A 30 -19.528 4.659 -36.140 1.00 6.54 C ATOM 176 C LYS A 30 -18.917 3.771 -35.065 1.00 5.23 C ATOM 177 O LYS A 30 -19.033 4.046 -33.867 1.00 5.88 O ATOM 178 CB LYS A 30 -19.405 6.146 -35.828 1.00 6.91 C ATOM 179 CG LYS A 30 -20.042 7.072 -36.873 1.00 10.50 C ATOM 180 CD LYS A 30 -19.513 6.818 -38.274 1.00 14.68 C ATOM 181 CE LYS A 30 -18.023 7.089 -38.376 1.00 15.62 C ATOM 182 NZ LYS A 30 -17.512 6.861 -39.758 1.00 21.50 N ATOM 183 HZ1 LYS A 30 -17.684 5.872 -40.031 1.00 0.00 H ATOM 184 HZ2 LYS A 30 -18.006 7.495 -40.418 1.00 0.00 H ATOM 185 HZ3 LYS A 30 -16.491 7.057 -39.785 1.00 0.00 H ATOM 186 H LYS A 30 -21.619 4.665 -35.592 1.00 0.00 H ATOM 187 N ILE A 31 -18.282 2.689 -35.514 1.00 6.40 N ATOM 188 CA ILE A 31 -17.787 1.636 -34.637 1.00 6.73 C ATOM 189 C ILE A 31 -16.463 2.061 -34.024 1.00 6.21 C ATOM 190 O ILE A 31 -15.599 2.640 -34.701 1.00 7.28 O ATOM 191 CB ILE A 31 -17.633 0.324 -35.428 1.00 7.16 C ATOM 192 CG1 ILE A 31 -18.911 0.012 -36.205 1.00 9.53 C ATOM 193 CG2 ILE A 31 -17.289 -0.832 -34.498 1.00 8.40 C ATOM 194 CD1 ILE A 31 -20.130 -0.134 -35.325 1.00 5.73 C ATOM 195 H ILE A 31 -18.133 2.592 -36.539 1.00 0.00 H ATOM 196 N ILE A 32 -16.305 1.769 -32.737 1.00 6.67 N ATOM 197 CA ILE A 32 -15.063 2.001 -32.016 1.00 7.19 C ATOM 198 C ILE A 32 -14.293 0.705 -31.807 1.00 7.43 C ATOM 199 O ILE A 32 -13.067 0.674 -31.938 1.00 9.58 O ATOM 200 CB ILE A 32 -15.400 2.645 -30.650 1.00 7.31 C ATOM 201 CG1 ILE A 32 -16.130 3.980 -30.818 1.00 6.57 C ATOM 202 CG2 ILE A 32 -14.152 2.788 -29.781 1.00 8.64 C ATOM 203 CD1 ILE A 32 -16.977 4.337 -29.621 1.00 6.73 C ATOM 204 H ILE A 32 -17.107 1.355 -32.221 1.00 0.00 H ATOM 205 N PHE A 33 -15.004 -0.364 -31.461 1.00 7.14 N ATOM 206 CA PHE A 33 -14.400 -1.643 -31.121 1.00 6.58 C ATOM 207 C PHE A 33 -15.428 -2.733 -31.374 1.00 5.33 C ATOM 208 O PHE A 33 -16.630 -2.527 -31.179 1.00 6.14 O ATOM 209 CB PHE A 33 -13.963 -1.683 -29.652 1.00 8.16 C ATOM 210 CG PHE A 33 -13.425 -3.018 -29.224 1.00 8.03 C ATOM 211 CD1 PHE A 33 -12.126 -3.385 -29.545 1.00 11.62 C ATOM 212 CD2 PHE A 33 -14.224 -3.921 -28.541 1.00 8.71 C ATOM 213 CE1 PHE A 33 -11.627 -4.627 -29.172 1.00 15.82 C ATOM 214 CE2 PHE A 33 -13.725 -5.164 -28.160 1.00 10.82 C ATOM 215 CZ PHE A 33 -12.427 -5.509 -28.480 1.00 12.78 C ATOM 216 H PHE A 33 -16.040 -0.282 -31.432 1.00 0.00 H ATOM 217 N GLU A 34 -14.947 -3.907 -31.784 1.00 5.64 N ATOM 218 CA GLU A 34 -15.830 -5.039 -32.014 1.00 5.80 C ATOM 219 C GLU A 34 -15.093 -6.318 -31.650 1.00 6.76 C ATOM 220 O GLU A 34 -13.935 -6.498 -32.036 1.00 7.79 O ATOM 221 CB GLU A 34 -16.257 -5.090 -33.484 1.00 6.63 C ATOM 222 CG GLU A 34 -17.192 -6.234 -33.789 1.00 5.60 C ATOM 223 CD GLU A 34 -17.905 -6.096 -35.116 1.00 5.42 C ATOM 224 OE1 GLU A 34 -17.676 -5.102 -35.841 1.00 6.12 O ATOM 225 OE2 GLU A 34 -18.701 -7.008 -35.433 1.00 6.15 O ATOM 226 H GLU A 34 -13.925 -4.015 -31.942 1.00 0.00 H ATOM 227 N ASP A 35 -15.758 -7.207 -30.918 1.00 5.75 N ATOM 228 CA ASP A 35 -15.243 -8.559 -30.730 1.00 6.30 C ATOM 229 C ASP A 35 -16.398 -9.539 -30.891 1.00 6.37 C ATOM 230 O ASP A 35 -17.491 -9.178 -31.326 1.00 6.76 O ATOM 231 CB ASP A 35 -14.388 -8.700 -29.459 1.00 7.64 C ATOM 232 CG ASP A 35 -15.194 -8.602 -28.162 1.00 5.66 C ATOM 233 OD1 ASP A 35 -16.434 -8.738 -28.170 1.00 5.80 O ATOM 234 OD2 ASP A 35 -14.549 -8.409 -27.108 1.00 8.77 O ATOM 235 H ASP A 35 -16.658 -6.935 -30.473 1.00 0.00 H ATOM 236 N ASP A 36 -16.157 -10.803 -30.538 1.00 7.50 N ATOM 237 CA ASP A 36 -17.183 -11.821 -30.711 1.00 7.95 C ATOM 238 C ASP A 36 -18.353 -11.661 -29.750 1.00 6.99 C ATOM 239 O ASP A 36 -19.428 -12.227 -29.993 1.00 9.40 O ATOM 240 CB ASP A 36 -16.577 -13.203 -30.510 1.00 9.58 C ATOM 241 CG ASP A 36 -15.944 -13.348 -29.153 1.00 9.17 C ATOM 242 OD1 ASP A 36 -14.877 -12.743 -28.952 1.00 12.10 O ATOM 243 OD2 ASP A 36 -16.519 -14.044 -28.298 1.00 9.94 O ATOM 244 H ASP A 36 -15.233 -11.062 -30.138 1.00 0.00 H ATOM 245 N ARG A 37 -18.167 -10.920 -28.658 1.00 6.56 N ATOM 246 CA ARG A 37 -19.189 -10.779 -27.633 1.00 6.38 C ATOM 247 C ARG A 37 -19.919 -9.448 -27.664 1.00 5.54 C ATOM 248 O ARG A 37 -21.037 -9.371 -27.146 1.00 5.91 O ATOM 249 CB ARG A 37 -18.569 -10.938 -26.238 1.00 7.33 C ATOM 250 CG ARG A 37 -18.462 -12.374 -25.754 1.00 7.83 C ATOM 251 CD ARG A 37 -17.163 -12.575 -24.983 1.00 12.84 C ATOM 252 NE ARG A 37 -16.006 -12.535 -25.876 1.00 10.14 N ATOM 253 CZ ARG A 37 -14.770 -12.241 -25.493 1.00 10.46 C ATOM 254 NH1 ARG A 37 -14.521 -11.946 -24.225 1.00 16.67 N ATOM 255 NH2 ARG A 37 -13.783 -12.237 -26.377 1.00 13.86 N ATOM 256 HE ARG A 37 -16.163 -12.752 -26.881 1.00 0.00 H ATOM 257 HH12 ARG A 37 -13.552 -11.716 -23.925 1.00 0.00 H ATOM 258 HH11 ARG A 37 -15.294 -11.945 -23.530 1.00 0.00 H ATOM 259 HH22 ARG A 37 -12.815 -12.006 -26.075 1.00 0.00 H ATOM 260 HH21 ARG A 37 -13.976 -12.465 -27.373 1.00 0.00 H ATOM 261 H ARG A 37 -17.260 -10.426 -28.535 1.00 0.00 H ATOM 262 N CYS A 38 -19.318 -8.400 -28.220 1.00 5.77 N ATOM 263 CA CYS A 38 -19.872 -7.066 -28.042 1.00 5.27 C ATOM 264 C CYS A 38 -19.413 -6.121 -29.138 1.00 4.96 C ATOM 265 O CYS A 38 -18.543 -6.435 -29.954 1.00 6.23 O ATOM 266 CB CYS A 38 -19.517 -6.501 -26.661 1.00 6.05 C ATOM 267 SG CYS A 38 -17.797 -5.984 -26.489 1.00 6.69 S ATOM 268 H CYS A 38 -18.453 -8.534 -28.782 1.00 0.00 H ATOM 269 N LEU A 39 -20.018 -4.940 -29.115 1.00 4.91 N ATOM 270 CA LEU A 39 -19.784 -3.898 -30.093 1.00 4.91 C ATOM 271 C LEU A 39 -19.857 -2.561 -29.374 1.00 4.78 C ATOM 272 O LEU A 39 -20.786 -2.328 -28.598 1.00 5.31 O ATOM 273 CB LEU A 39 -20.893 -3.955 -31.141 1.00 6.59 C ATOM 274 CG LEU A 39 -20.743 -3.002 -32.318 1.00 6.45 C ATOM 275 CD1 LEU A 39 -19.630 -3.464 -33.247 1.00 8.02 C ATOM 276 CD2 LEU A 39 -22.053 -2.856 -33.079 1.00 8.08 C ATOM 277 H LEU A 39 -20.699 -4.752 -28.351 1.00 0.00 H ATOM 278 N ALA A 40 -18.887 -1.685 -29.631 1.00 5.05 N ATOM 279 CA ALA A 40 -18.887 -0.325 -29.095 1.00 5.08 C ATOM 280 C ALA A 40 -18.998 0.653 -30.258 1.00 4.39 C ATOM 281 O ALA A 40 -18.267 0.525 -31.249 1.00 5.74 O ATOM 282 CB ALA A 40 -17.614 -0.043 -28.294 1.00 6.12 C ATOM 283 H ALA A 40 -18.096 -1.981 -30.238 1.00 0.00 H ATOM 284 N PHE A 41 -19.914 1.618 -30.152 1.00 4.69 N ATOM 285 CA PHE A 41 -20.171 2.547 -31.248 1.00 4.63 C ATOM 286 C PHE A 41 -20.735 3.843 -30.683 1.00 4.12 C ATOM 287 O PHE A 41 -21.314 3.871 -29.594 1.00 4.64 O ATOM 288 CB PHE A 41 -21.110 1.944 -32.309 1.00 5.16 C ATOM 289 CG PHE A 41 -22.452 1.534 -31.777 1.00 5.35 C ATOM 290 CD1 PHE A 41 -22.613 0.319 -31.126 1.00 7.17 C ATOM 291 CD2 PHE A 41 -23.554 2.363 -31.915 1.00 6.33 C ATOM 292 CE1 PHE A 41 -23.848 -0.060 -30.632 1.00 7.84 C ATOM 293 CE2 PHE A 41 -24.790 1.989 -31.426 1.00 7.01 C ATOM 294 CZ PHE A 41 -24.936 0.778 -30.778 1.00 7.02 C ATOM 295 H PHE A 41 -20.456 1.710 -29.269 1.00 0.00 H ATOM 296 N HIS A 42 -20.560 4.929 -31.430 1.00 4.60 N ATOM 297 CA HIS A 42 -20.952 6.238 -30.924 1.00 4.43 C ATOM 298 C HIS A 42 -22.466 6.411 -30.927 1.00 4.96 C ATOM 299 O HIS A 42 -23.168 5.911 -31.810 1.00 5.98 O ATOM 300 CB HIS A 42 -20.288 7.334 -31.745 1.00 5.03 C ATOM 301 CG HIS A 42 -18.815 7.390 -31.554 1.00 5.21 C ATOM 302 ND1 HIS A 42 -18.233 8.052 -30.495 1.00 5.63 N ATOM 303 CD2 HIS A 42 -17.808 6.822 -32.256 1.00 5.61 C ATOM 304 CE1 HIS A 42 -16.922 7.913 -30.574 1.00 5.88 C ATOM 305 NE2 HIS A 42 -16.637 7.173 -31.632 1.00 6.70 N ATOM 306 H HIS A 42 -20.142 4.844 -32.378 1.00 0.00 H ATOM 307 N ASP A 43 -22.967 7.136 -29.927 1.00 5.36 N ATOM 308 CA ASP A 43 -24.391 7.431 -29.835 1.00 4.77 C ATOM 309 C ASP A 43 -24.749 8.550 -30.813 1.00 6.41 C ATOM 310 O ASP A 43 -24.047 9.560 -30.891 1.00 7.64 O ATOM 311 CB ASP A 43 -24.726 7.846 -28.402 1.00 6.16 C ATOM 312 CG ASP A 43 -26.205 7.788 -28.105 1.00 6.44 C ATOM 313 OD1 ASP A 43 -26.971 8.559 -28.730 1.00 7.45 O ATOM 314 OD2 ASP A 43 -26.605 6.985 -27.236 1.00 7.01 O ATOM 315 H ASP A 43 -22.325 7.500 -29.194 1.00 0.00 H ATOM 316 N ILE A 44 -25.836 8.381 -31.572 1.00 6.23 N ATOM 317 CA ILE A 44 -26.183 9.405 -32.560 1.00 7.14 C ATOM 318 C ILE A 44 -26.744 10.670 -31.927 1.00 6.49 C ATOM 319 O ILE A 44 -26.790 11.716 -32.589 1.00 8.99 O ATOM 320 CB ILE A 44 -27.137 8.901 -33.659 1.00 8.71 C ATOM 321 CG1 ILE A 44 -28.404 8.304 -33.043 1.00 8.56 C ATOM 322 CG2 ILE A 44 -26.429 7.927 -34.579 1.00 13.18 C ATOM 323 CD1 ILE A 44 -29.550 8.158 -34.024 1.00 13.94 C ATOM 324 H ILE A 44 -26.428 7.533 -31.462 1.00 0.00 H ATOM 325 N SER A 45 -27.190 10.604 -30.674 1.00 7.11 N ATOM 326 CA SER A 45 -27.717 11.760 -29.952 1.00 8.13 C ATOM 327 C SER A 45 -26.862 11.981 -28.707 1.00 6.84 C ATOM 328 O SER A 45 -27.309 11.745 -27.576 1.00 7.64 O ATOM 329 CB SER A 45 -29.190 11.563 -29.599 1.00 9.04 C ATOM 330 OG SER A 45 -29.988 11.500 -30.772 1.00 9.01 O ATOM 331 HG SER A 45 -29.892 12.344 -31.281 1.00 0.00 H ATOM 332 H SER A 45 -27.162 9.686 -30.186 1.00 0.00 H ATOM 333 N PRO A 46 -25.620 12.426 -28.884 1.00 6.66 N ATOM 334 CA PRO A 46 -24.694 12.498 -27.748 1.00 6.51 C ATOM 335 C PRO A 46 -25.124 13.513 -26.705 1.00 7.35 C ATOM 336 O PRO A 46 -25.582 14.614 -27.024 1.00 8.75 O ATOM 337 CB PRO A 46 -23.367 12.902 -28.401 1.00 8.18 C ATOM 338 CG PRO A 46 -23.771 13.592 -29.676 1.00 9.49 C ATOM 339 CD PRO A 46 -24.999 12.876 -30.142 1.00 7.72 C ATOM 340 N GLN A 47 -24.966 13.121 -25.446 1.00 6.09 N ATOM 341 CA GLN A 47 -25.277 13.964 -24.301 1.00 7.42 C ATOM 342 C GLN A 47 -24.029 14.511 -23.631 1.00 5.97 C ATOM 343 O GLN A 47 -24.128 15.182 -22.596 1.00 7.86 O ATOM 344 CB GLN A 47 -26.102 13.172 -23.282 1.00 8.71 C ATOM 345 CG GLN A 47 -27.366 12.583 -23.863 1.00 9.88 C ATOM 346 CD GLN A 47 -28.334 13.646 -24.317 1.00 9.00 C ATOM 347 OE1 GLN A 47 -28.734 14.508 -23.534 1.00 10.95 O ATOM 348 NE2 GLN A 47 -28.718 13.599 -25.585 1.00 10.68 N ATOM 349 HE22 GLN A 47 -28.354 12.852 -26.211 1.00 0.00 H ATOM 350 HE21 GLN A 47 -29.383 14.309 -25.954 1.00 0.00 H ATOM 351 H GLN A 47 -24.602 12.163 -25.269 1.00 0.00 H ATOM 352 N ALA A 48 -22.864 14.227 -24.192 1.00 7.05 N ATOM 353 CA ALA A 48 -21.590 14.727 -23.709 1.00 6.61 C ATOM 354 C ALA A 48 -20.662 14.790 -24.909 1.00 5.81 C ATOM 355 O ALA A 48 -20.960 14.204 -25.960 1.00 6.60 O ATOM 356 CB ALA A 48 -21.015 13.801 -22.628 1.00 6.30 C ATOM 357 H ALA A 48 -22.862 13.609 -25.028 1.00 0.00 H ATOM 358 N PRO A 49 -19.541 15.497 -24.795 1.00 5.76 N ATOM 359 CA PRO A 49 -18.637 15.597 -25.953 1.00 6.12 C ATOM 360 C PRO A 49 -18.227 14.252 -26.528 1.00 5.57 C ATOM 361 O PRO A 49 -18.087 14.129 -27.756 1.00 6.90 O ATOM 362 CB PRO A 49 -17.469 16.419 -25.397 1.00 6.19 C ATOM 363 CG PRO A 49 -18.144 17.328 -24.397 1.00 6.68 C ATOM 364 CD PRO A 49 -19.167 16.442 -23.725 1.00 6.45 C ATOM 365 N THR A 50 -18.034 13.244 -25.678 1.00 5.18 N ATOM 366 CA THR A 50 -17.921 11.860 -26.110 1.00 5.37 C ATOM 367 C THR A 50 -19.048 11.072 -25.458 1.00 4.75 C ATOM 368 O THR A 50 -19.253 11.157 -24.239 1.00 5.29 O ATOM 369 CB THR A 50 -16.558 11.281 -25.733 1.00 6.07 C ATOM 370 OG1 THR A 50 -15.534 11.986 -26.450 1.00 7.42 O ATOM 371 CG2 THR A 50 -16.477 9.799 -26.085 1.00 7.47 C ATOM 372 HG1 THR A 50 -15.566 12.946 -26.211 1.00 0.00 H ATOM 373 H THR A 50 -17.961 13.456 -24.662 1.00 0.00 H ATOM 374 N HIS A 51 -19.788 10.324 -26.273 1.00 4.57 N ATOM 375 CA HIS A 51 -20.897 9.522 -25.766 1.00 5.15 C ATOM 376 C HIS A 51 -21.024 8.319 -26.682 1.00 4.21 C ATOM 377 O HIS A 51 -21.393 8.458 -27.852 1.00 4.72 O ATOM 378 CB HIS A 51 -22.172 10.353 -25.739 1.00 4.97 C ATOM 379 CG HIS A 51 -23.376 9.628 -25.220 1.00 4.66 C ATOM 380 ND1 HIS A 51 -24.597 10.252 -25.099 1.00 6.03 N ATOM 381 CD2 HIS A 51 -23.557 8.352 -24.796 1.00 5.01 C ATOM 382 CE1 HIS A 51 -25.483 9.389 -24.636 1.00 6.12 C ATOM 383 NE2 HIS A 51 -24.878 8.227 -24.443 1.00 5.34 N ATOM 384 H HIS A 51 -19.572 10.311 -27.290 1.00 0.00 H ATOM 385 N PHE A 52 -20.686 7.150 -26.154 1.00 4.45 N ATOM 386 CA PHE A 52 -20.753 5.920 -26.918 1.00 4.57 C ATOM 387 C PHE A 52 -21.520 4.856 -26.143 1.00 3.65 C ATOM 388 O PHE A 52 -21.866 5.025 -24.966 1.00 4.57 O ATOM 389 CB PHE A 52 -19.378 5.443 -27.426 1.00 5.05 C ATOM 390 CG PHE A 52 -18.401 5.030 -26.348 1.00 4.63 C ATOM 391 CD1 PHE A 52 -17.552 5.959 -25.758 1.00 6.13 C ATOM 392 CD2 PHE A 52 -18.287 3.699 -25.972 1.00 5.32 C ATOM 393 CE1 PHE A 52 -16.637 5.574 -24.793 1.00 6.72 C ATOM 394 CE2 PHE A 52 -17.376 3.312 -25.004 1.00 5.75 C ATOM 395 CZ PHE A 52 -16.548 4.249 -24.420 1.00 6.42 C ATOM 396 H PHE A 52 -20.364 7.115 -25.166 1.00 0.00 H ATOM 397 N LEU A 53 -21.792 3.754 -26.837 1.00 4.25 N ATOM 398 CA LEU A 53 -22.569 2.636 -26.325 1.00 4.48 C ATOM 399 C LEU A 53 -21.744 1.372 -26.472 1.00 4.49 C ATOM 400 O LEU A 53 -21.033 1.208 -27.466 1.00 5.08 O ATOM 401 CB LEU A 53 -23.835 2.459 -27.167 1.00 5.87 C ATOM 402 CG LEU A 53 -24.747 3.680 -27.175 1.00 5.73 C ATOM 403 CD1 LEU A 53 -25.715 3.678 -28.351 1.00 13.10 C ATOM 404 CD2 LEU A 53 -25.507 3.779 -25.866 1.00 12.23 C ATOM 405 H LEU A 53 -21.426 3.688 -27.808 1.00 0.00 H ATOM 406 N VAL A 54 -21.848 0.477 -25.495 1.00 4.49 N ATOM 407 CA VAL A 54 -21.285 -0.864 -25.607 1.00 4.52 C ATOM 408 C VAL A 54 -22.436 -1.834 -25.454 1.00 4.64 C ATOM 409 O VAL A 54 -23.158 -1.788 -24.454 1.00 5.50 O ATOM 410 CB VAL A 54 -20.192 -1.147 -24.560 1.00 5.33 C ATOM 411 CG1 VAL A 54 -19.479 -2.458 -24.903 1.00 7.45 C ATOM 412 CG2 VAL A 54 -19.199 -0.004 -24.476 1.00 6.20 C ATOM 413 H VAL A 54 -22.347 0.741 -24.622 1.00 0.00 H ATOM 414 N ILE A 55 -22.614 -2.708 -26.438 1.00 4.85 N ATOM 415 CA ILE A 55 -23.759 -3.613 -26.448 1.00 5.38 C ATOM 416 C ILE A 55 -23.304 -5.056 -26.624 1.00 5.15 C ATOM 417 O ILE A 55 -22.320 -5.318 -27.328 1.00 5.67 O ATOM 418 CB ILE A 55 -24.785 -3.231 -27.530 1.00 5.67 C ATOM 419 CG1 ILE A 55 -24.288 -3.557 -28.948 1.00 5.98 C ATOM 420 CG2 ILE A 55 -25.180 -1.769 -27.402 1.00 6.79 C ATOM 421 CD1 ILE A 55 -25.347 -3.324 -30.013 1.00 8.01 C ATOM 422 H ILE A 55 -21.925 -2.748 -27.216 1.00 0.00 H ATOM 423 N PRO A 56 -23.995 -6.020 -26.028 1.00 5.39 N ATOM 424 CA PRO A 56 -23.719 -7.418 -26.353 1.00 5.19 C ATOM 425 C PRO A 56 -24.223 -7.737 -27.746 1.00 4.75 C ATOM 426 O PRO A 56 -25.194 -7.153 -28.230 1.00 6.19 O ATOM 427 CB PRO A 56 -24.545 -8.185 -25.317 1.00 6.77 C ATOM 428 CG PRO A 56 -25.697 -7.284 -25.030 1.00 7.59 C ATOM 429 CD PRO A 56 -25.154 -5.879 -25.128 1.00 5.98 C ATOM 430 N LYS A 57 -23.548 -8.685 -28.397 1.00 5.66 N ATOM 431 CA LYS A 57 -24.081 -9.227 -29.644 1.00 6.73 C ATOM 432 C LYS A 57 -25.262 -10.153 -29.375 1.00 6.70 C ATOM 433 O LYS A 57 -26.212 -10.195 -30.165 1.00 8.27 O ATOM 434 CB LYS A 57 -22.976 -9.918 -30.444 1.00 6.53 C ATOM 435 CG LYS A 57 -22.011 -8.908 -31.060 1.00 6.71 C ATOM 436 CD LYS A 57 -20.972 -9.550 -31.963 1.00 6.50 C ATOM 437 CE LYS A 57 -20.179 -8.483 -32.686 1.00 6.38 C ATOM 438 NZ LYS A 57 -19.174 -9.086 -33.603 1.00 7.50 N ATOM 439 HZ1 LYS A 57 -18.515 -9.675 -33.054 1.00 0.00 H ATOM 440 HZ2 LYS A 57 -19.660 -9.674 -34.310 1.00 0.00 H ATOM 441 HZ3 LYS A 57 -18.647 -8.329 -34.084 1.00 0.00 H ATOM 442 H LYS A 57 -22.646 -9.037 -28.018 1.00 0.00 H ATOM 443 N LYS A 58 -25.223 -10.889 -28.268 1.00 6.68 N ATOM 444 CA LYS A 58 -26.384 -11.650 -27.822 1.00 6.21 C ATOM 445 C LYS A 58 -27.515 -10.697 -27.473 1.00 6.47 C ATOM 446 O LYS A 58 -27.304 -9.705 -26.770 1.00 7.77 O ATOM 447 CB LYS A 58 -26.002 -12.455 -26.577 1.00 8.46 C ATOM 448 CG LYS A 58 -27.163 -13.199 -25.909 1.00 9.13 C ATOM 449 CD LYS A 58 -26.730 -13.921 -24.620 1.00 9.94 C ATOM 450 CE LYS A 58 -27.916 -14.599 -23.942 1.00 11.67 C ATOM 451 NZ LYS A 58 -27.480 -15.403 -22.764 1.00 13.90 N ATOM 452 HZ1 LYS A 58 -26.812 -16.137 -23.075 1.00 0.00 H ATOM 453 HZ2 LYS A 58 -27.015 -14.780 -22.073 1.00 0.00 H ATOM 454 HZ3 LYS A 58 -28.310 -15.851 -22.325 1.00 0.00 H ATOM 455 H LYS A 58 -24.347 -10.922 -27.709 1.00 0.00 H ATOM 456 N HIS A 59 -28.722 -10.988 -27.950 1.00 6.77 N ATOM 457 CA HIS A 59 -29.855 -10.130 -27.636 1.00 6.49 C ATOM 458 C HIS A 59 -30.401 -10.449 -26.248 1.00 6.71 C ATOM 459 O HIS A 59 -30.864 -11.565 -25.993 1.00 7.64 O ATOM 460 CB HIS A 59 -30.960 -10.267 -28.678 1.00 7.17 C ATOM 461 CG HIS A 59 -32.174 -9.471 -28.333 1.00 6.14 C ATOM 462 ND1 HIS A 59 -32.180 -8.092 -28.346 1.00 6.67 N ATOM 463 CD2 HIS A 59 -33.390 -9.849 -27.871 1.00 7.32 C ATOM 464 CE1 HIS A 59 -33.364 -7.656 -27.953 1.00 6.59 C ATOM 465 NE2 HIS A 59 -34.113 -8.701 -27.648 1.00 7.30 N ATOM 466 H HIS A 59 -28.856 -11.829 -28.547 1.00 0.00 H ATOM 467 N ILE A 60 -30.345 -9.460 -25.362 1.00 6.46 N ATOM 468 CA ILE A 60 -31.006 -9.452 -24.063 1.00 6.91 C ATOM 469 C ILE A 60 -31.810 -8.161 -24.035 1.00 6.32 C ATOM 470 O ILE A 60 -31.263 -7.087 -24.308 1.00 7.19 O ATOM 471 CB ILE A 60 -29.980 -9.459 -22.913 1.00 7.45 C ATOM 472 CG1 ILE A 60 -29.024 -10.646 -23.035 1.00 8.67 C ATOM 473 CG2 ILE A 60 -30.683 -9.461 -21.569 1.00 8.31 C ATOM 474 CD1 ILE A 60 -27.822 -10.545 -22.119 1.00 12.42 C ATOM 475 H ILE A 60 -29.783 -8.623 -25.617 1.00 0.00 H ATOM 476 N SER A 61 -33.107 -8.252 -23.739 1.00 6.50 N ATOM 477 CA SER A 61 -33.966 -7.081 -23.922 1.00 7.68 C ATOM 478 C SER A 61 -33.654 -5.978 -22.915 1.00 7.57 C ATOM 479 O SER A 61 -33.723 -4.788 -23.247 1.00 7.67 O ATOM 480 CB SER A 61 -35.432 -7.481 -23.826 1.00 8.91 C ATOM 481 OG SER A 61 -35.708 -8.015 -22.548 1.00 11.24 O ATOM 482 HG SER A 61 -36.663 -8.271 -22.498 1.00 0.00 H ATOM 483 H SER A 61 -33.504 -9.145 -23.382 1.00 0.00 H ATOM 484 N GLN A 62 -33.326 -6.346 -21.683 1.00 7.44 N ATOM 485 CA GLN A 62 -33.180 -5.370 -20.613 1.00 7.19 C ATOM 486 C GLN A 62 -32.493 -6.069 -19.453 1.00 7.74 C ATOM 487 O GLN A 62 -32.553 -7.297 -19.322 1.00 7.98 O ATOM 488 CB GLN A 62 -34.533 -4.793 -20.177 1.00 8.58 C ATOM 489 CG GLN A 62 -35.561 -5.835 -19.773 1.00 9.43 C ATOM 490 CD GLN A 62 -36.981 -5.411 -20.104 1.00 13.13 C ATOM 491 OE1 GLN A 62 -37.558 -5.867 -21.095 1.00 19.69 O ATOM 492 NE2 GLN A 62 -37.548 -4.542 -19.282 1.00 13.51 N ATOM 493 HE22 GLN A 62 -37.022 -4.185 -18.459 1.00 0.00 H ATOM 494 HE21 GLN A 62 -38.520 -4.216 -19.459 1.00 0.00 H ATOM 495 H GLN A 62 -33.170 -7.353 -21.477 1.00 0.00 H ATOM 496 N ILE A 63 -31.819 -5.272 -18.621 1.00 7.45 N ATOM 497 CA ILE A 63 -30.992 -5.853 -17.572 1.00 8.20 C ATOM 498 C ILE A 63 -31.837 -6.660 -16.592 1.00 7.63 C ATOM 499 O ILE A 63 -31.358 -7.638 -16.010 1.00 8.91 O ATOM 500 CB ILE A 63 -30.116 -4.769 -16.900 1.00 9.88 C ATOM 501 CG1 ILE A 63 -29.037 -5.411 -16.028 1.00 14.06 C ATOM 502 CG2 ILE A 63 -30.962 -3.768 -16.122 1.00 11.73 C ATOM 503 CD1 ILE A 63 -28.039 -6.194 -16.820 1.00 17.74 C ATOM 504 H ILE A 63 -31.884 -4.239 -18.721 1.00 0.00 H ATOM 505 N SER A 64 -33.104 -6.286 -16.409 1.00 8.14 N ATOM 506 CA SER A 64 -33.943 -6.980 -15.442 1.00 9.19 C ATOM 507 C SER A 64 -34.204 -8.434 -15.818 1.00 9.29 C ATOM 508 O SER A 64 -34.611 -9.213 -14.951 1.00 12.35 O ATOM 509 CB SER A 64 -35.270 -6.250 -15.248 1.00 10.03 C ATOM 510 OG SER A 64 -36.018 -6.223 -16.452 1.00 9.89 O ATOM 511 HG SER A 64 -36.871 -5.745 -16.298 1.00 0.00 H ATOM 512 H SER A 64 -33.495 -5.495 -16.960 1.00 0.00 H ATOM 513 N VAL A 65 -33.995 -8.826 -17.076 1.00 8.83 N ATOM 514 CA VAL A 65 -34.185 -10.211 -17.497 1.00 9.52 C ATOM 515 C VAL A 65 -32.870 -10.925 -17.792 1.00 9.78 C ATOM 516 O VAL A 65 -32.885 -12.067 -18.263 1.00 9.95 O ATOM 517 CB VAL A 65 -35.194 -10.366 -18.649 1.00 11.32 C ATOM 518 CG1 VAL A 65 -36.520 -9.717 -18.290 1.00 16.46 C ATOM 519 CG2 VAL A 65 -34.631 -9.799 -19.946 1.00 10.80 C ATOM 520 H VAL A 65 -33.687 -8.123 -17.778 1.00 0.00 H ATOM 521 N ALA A 66 -31.730 -10.295 -17.515 1.00 8.68 N ATOM 522 CA ALA A 66 -30.454 -10.977 -17.696 1.00 8.56 C ATOM 523 C ALA A 66 -30.367 -12.207 -16.799 1.00 9.93 C ATOM 524 O ALA A 66 -30.874 -12.219 -15.674 1.00 10.66 O ATOM 525 CB ALA A 66 -29.298 -10.024 -17.396 1.00 9.12 C ATOM 526 H ALA A 66 -31.750 -9.314 -17.169 1.00 0.00 H ATOM 527 N GLU A 67 -29.724 -13.250 -17.307 1.00 11.38 N ATOM 528 CA GLU A 67 -29.582 -14.500 -16.574 1.00 11.94 C ATOM 529 C GLU A 67 -28.292 -14.500 -15.760 1.00 11.37 C ATOM 530 O GLU A 67 -27.357 -13.742 -16.029 1.00 10.36 O ATOM 531 CB GLU A 67 -29.587 -15.683 -17.541 1.00 18.42 C ATOM 532 CG GLU A 67 -30.907 -15.870 -18.270 1.00 25.74 C ATOM 533 CD GLU A 67 -30.912 -17.098 -19.156 1.00 36.12 C ATOM 534 OE1 GLU A 67 -29.977 -17.248 -19.972 1.00 41.35 O ATOM 535 OE2 GLU A 67 -31.849 -17.915 -19.035 1.00 46.56 O ATOM 536 H GLU A 67 -29.309 -13.173 -18.257 1.00 0.00 H ATOM 537 N ASP A 68 -28.249 -15.376 -14.749 1.00 13.48 N ATOM 538 CA ASP A 68 -27.059 -15.477 -13.908 1.00 12.66 C ATOM 539 C ASP A 68 -25.811 -15.743 -14.742 1.00 11.60 C ATOM 540 O ASP A 68 -24.735 -15.206 -14.455 1.00 12.87 O ATOM 541 CB ASP A 68 -27.229 -16.593 -12.875 1.00 12.71 C ATOM 542 CG ASP A 68 -28.239 -16.256 -11.793 1.00 15.22 C ATOM 543 OD1 ASP A 68 -28.883 -15.189 -11.859 1.00 16.00 O ATOM 544 OD2 ASP A 68 -28.400 -17.084 -10.871 1.00 18.38 O ATOM 545 H ASP A 68 -29.068 -15.989 -14.561 1.00 0.00 H ATOM 546 N ASP A 69 -25.930 -16.571 -15.775 1.00 10.07 N ATOM 547 CA ASP A 69 -24.763 -16.906 -16.577 1.00 11.87 C ATOM 548 C ASP A 69 -24.354 -15.802 -17.544 1.00 11.73 C ATOM 549 O ASP A 69 -23.371 -15.981 -18.274 1.00 12.07 O ATOM 550 CB ASP A 69 -24.971 -18.240 -17.296 1.00 13.47 C ATOM 551 CG ASP A 69 -25.009 -19.411 -16.333 1.00 32.82 C ATOM 552 OD1 ASP A 69 -23.996 -19.636 -15.634 1.00 38.85 O ATOM 553 OD2 ASP A 69 -26.043 -20.108 -16.272 1.00 39.25 O ATOM 554 H ASP A 69 -26.857 -16.979 -16.010 1.00 0.00 H ATOM 555 N ASP A 70 -25.074 -14.676 -17.560 1.00 9.23 N ATOM 556 CA ASP A 70 -24.687 -13.492 -18.317 1.00 9.08 C ATOM 557 C ASP A 70 -23.677 -12.615 -17.582 1.00 7.83 C ATOM 558 O ASP A 70 -23.317 -11.552 -18.098 1.00 7.66 O ATOM 559 CB ASP A 70 -25.924 -12.652 -18.657 1.00 10.19 C ATOM 560 CG ASP A 70 -26.807 -13.297 -19.706 1.00 11.73 C ATOM 561 OD1 ASP A 70 -26.273 -13.906 -20.663 1.00 12.80 O ATOM 562 OD2 ASP A 70 -28.045 -13.173 -19.581 1.00 14.46 O ATOM 563 H ASP A 70 -25.953 -14.643 -17.005 1.00 0.00 H ATOM 564 N GLU A 71 -23.205 -13.026 -16.402 1.00 8.46 N ATOM 565 CA GLU A 71 -22.324 -12.173 -15.608 1.00 7.97 C ATOM 566 C GLU A 71 -21.066 -11.793 -16.368 1.00 7.81 C ATOM 567 O GLU A 71 -20.686 -10.620 -16.408 1.00 7.58 O ATOM 568 CB GLU A 71 -21.930 -12.885 -14.321 1.00 10.18 C ATOM 569 CG GLU A 71 -22.932 -12.723 -13.234 1.00 10.31 C ATOM 570 CD GLU A 71 -22.499 -13.342 -11.927 1.00 10.33 C ATOM 571 OE1 GLU A 71 -21.390 -13.933 -11.859 1.00 12.28 O ATOM 572 OE2 GLU A 71 -23.294 -13.234 -10.976 1.00 10.94 O ATOM 573 H GLU A 71 -23.468 -13.966 -16.044 1.00 0.00 H ATOM 574 N SER A 72 -20.392 -12.783 -16.954 1.00 7.32 N ATOM 575 CA SER A 72 -19.160 -12.503 -17.680 1.00 8.22 C ATOM 576 C SER A 72 -19.406 -11.514 -18.809 1.00 7.19 C ATOM 577 O SER A 72 -18.627 -10.573 -19.004 1.00 7.55 O ATOM 578 CB SER A 72 -18.578 -13.807 -18.223 1.00 10.85 C ATOM 579 OG SER A 72 -17.524 -13.557 -19.133 1.00 12.89 O ATOM 580 HG SER A 72 -17.866 -13.022 -19.893 1.00 0.00 H ATOM 581 H SER A 72 -20.747 -13.759 -16.893 1.00 0.00 H ATOM 582 N LEU A 73 -20.499 -11.705 -19.552 1.00 6.12 N ATOM 583 CA LEU A 73 -20.807 -10.833 -20.680 1.00 6.67 C ATOM 584 C LEU A 73 -21.083 -9.405 -20.220 1.00 6.77 C ATOM 585 O LEU A 73 -20.580 -8.442 -20.815 1.00 7.04 O ATOM 586 CB LEU A 73 -22.003 -11.414 -21.426 1.00 7.72 C ATOM 587 CG LEU A 73 -22.595 -10.551 -22.531 1.00 8.76 C ATOM 588 CD1 LEU A 73 -21.566 -10.275 -23.634 1.00 10.02 C ATOM 589 CD2 LEU A 73 -23.833 -11.234 -23.100 1.00 11.17 C ATOM 590 H LEU A 73 -21.142 -12.489 -19.322 1.00 0.00 H ATOM 591 N LEU A 74 -21.868 -9.245 -19.155 1.00 6.32 N ATOM 592 CA LEU A 74 -22.149 -7.909 -18.641 1.00 6.24 C ATOM 593 C LEU A 74 -20.879 -7.230 -18.152 1.00 6.63 C ATOM 594 O LEU A 74 -20.646 -6.050 -18.440 1.00 6.54 O ATOM 595 CB LEU A 74 -23.180 -7.986 -17.521 1.00 7.66 C ATOM 596 CG LEU A 74 -24.574 -8.438 -17.937 1.00 7.72 C ATOM 597 CD1 LEU A 74 -25.428 -8.636 -16.692 1.00 10.11 C ATOM 598 CD2 LEU A 74 -25.210 -7.427 -18.880 1.00 9.33 C ATOM 599 H LEU A 74 -22.282 -10.077 -18.688 1.00 0.00 H ATOM 600 N GLY A 75 -20.038 -7.962 -17.419 1.00 6.09 N ATOM 601 CA GLY A 75 -18.758 -7.403 -17.014 1.00 7.27 C ATOM 602 C GLY A 75 -17.881 -7.040 -18.197 1.00 6.04 C ATOM 603 O GLY A 75 -17.151 -6.043 -18.161 1.00 6.49 O ATOM 604 H GLY A 75 -20.297 -8.929 -17.138 1.00 0.00 H ATOM 605 N HIS A 76 -17.940 -7.846 -19.261 1.00 6.30 N ATOM 606 CA HIS A 76 -17.159 -7.555 -20.458 1.00 6.27 C ATOM 607 C HIS A 76 -17.561 -6.220 -21.067 1.00 5.17 C ATOM 608 O HIS A 76 -16.714 -5.492 -21.600 1.00 5.75 O ATOM 609 CB HIS A 76 -17.321 -8.692 -21.467 1.00 6.66 C ATOM 610 CG HIS A 76 -16.393 -8.607 -22.634 1.00 5.98 C ATOM 611 ND1 HIS A 76 -15.023 -8.654 -22.505 1.00 8.07 N ATOM 612 CD2 HIS A 76 -16.643 -8.499 -23.960 1.00 6.92 C ATOM 613 CE1 HIS A 76 -14.467 -8.580 -23.702 1.00 7.70 C ATOM 614 NE2 HIS A 76 -15.429 -8.492 -24.601 1.00 6.38 N ATOM 615 H HIS A 76 -18.549 -8.689 -19.235 1.00 0.00 H ATOM 616 N LEU A 77 -18.848 -5.873 -21.000 1.00 5.47 N ATOM 617 CA LEU A 77 -19.266 -4.566 -21.498 1.00 6.42 C ATOM 618 C LEU A 77 -18.536 -3.453 -20.767 1.00 5.92 C ATOM 619 O LEU A 77 -18.121 -2.464 -21.378 1.00 5.94 O ATOM 620 CB LEU A 77 -20.773 -4.376 -21.342 1.00 6.89 C ATOM 621 CG LEU A 77 -21.701 -5.408 -21.979 1.00 6.29 C ATOM 622 CD1 LEU A 77 -23.145 -5.014 -21.734 1.00 9.57 C ATOM 623 CD2 LEU A 77 -21.430 -5.557 -23.467 1.00 8.60 C ATOM 624 H LEU A 77 -19.547 -6.528 -20.596 1.00 0.00 H ATOM 625 N MET A 78 -18.387 -3.593 -19.445 1.00 5.73 N ATOM 626 CA MET A 78 -17.703 -2.572 -18.656 1.00 5.95 C ATOM 627 C MET A 78 -16.214 -2.532 -18.968 1.00 5.39 C ATOM 628 O MET A 78 -15.630 -1.451 -19.090 1.00 5.95 O ATOM 629 CB MET A 78 -17.920 -2.827 -17.166 1.00 7.17 C ATOM 630 CG MET A 78 -19.259 -2.365 -16.657 1.00 7.28 C ATOM 631 SD MET A 78 -19.299 -2.351 -14.864 1.00 8.83 S ATOM 632 CE MET A 78 -20.953 -1.719 -14.601 1.00 13.54 C ATOM 633 H MET A 78 -18.763 -4.440 -18.973 1.00 0.00 H ATOM 634 N ILE A 79 -15.579 -3.698 -19.087 1.00 5.38 N ATOM 635 CA ILE A 79 -14.150 -3.738 -19.393 1.00 6.62 C ATOM 636 C ILE A 79 -13.887 -3.128 -20.765 1.00 5.27 C ATOM 637 O ILE A 79 -12.962 -2.326 -20.946 1.00 6.32 O ATOM 638 CB ILE A 79 -13.614 -5.177 -19.298 1.00 5.89 C ATOM 639 CG1 ILE A 79 -13.651 -5.677 -17.848 1.00 8.21 C ATOM 640 CG2 ILE A 79 -12.203 -5.251 -19.869 1.00 9.52 C ATOM 641 CD1 ILE A 79 -12.804 -4.871 -16.882 1.00 9.88 C ATOM 642 H ILE A 79 -16.104 -4.587 -18.961 1.00 0.00 H ATOM 643 N VAL A 80 -14.692 -3.508 -21.760 1.00 5.79 N ATOM 644 CA VAL A 80 -14.567 -2.898 -23.080 1.00 5.60 C ATOM 645 C VAL A 80 -14.846 -1.400 -23.012 1.00 6.13 C ATOM 646 O VAL A 80 -14.135 -0.594 -23.625 1.00 5.93 O ATOM 647 CB VAL A 80 -15.457 -3.631 -24.099 1.00 5.94 C ATOM 648 CG1 VAL A 80 -15.569 -2.833 -25.391 1.00 6.34 C ATOM 649 CG2 VAL A 80 -14.885 -5.028 -24.358 1.00 6.74 C ATOM 650 H VAL A 80 -15.411 -4.241 -21.594 1.00 0.00 H ATOM 651 N GLY A 81 -15.868 -1.002 -22.250 1.00 5.79 N ATOM 652 CA GLY A 81 -16.169 0.414 -22.101 1.00 6.18 C ATOM 653 C GLY A 81 -15.006 1.206 -21.536 1.00 5.47 C ATOM 654 O GLY A 81 -14.670 2.282 -22.037 1.00 6.51 O ATOM 655 H GLY A 81 -16.453 -1.709 -21.760 1.00 0.00 H ATOM 656 N LYS A 82 -14.367 0.684 -20.486 1.00 5.62 N ATOM 657 CA LYS A 82 -13.258 1.432 -19.898 1.00 6.83 C ATOM 658 C LYS A 82 -12.045 1.451 -20.825 1.00 6.42 C ATOM 659 O LYS A 82 -11.336 2.459 -20.890 1.00 7.54 O ATOM 660 CB LYS A 82 -12.944 0.970 -18.468 1.00 8.45 C ATOM 661 CG LYS A 82 -12.292 -0.382 -18.344 1.00 9.77 C ATOM 662 CD LYS A 82 -10.788 -0.256 -18.237 1.00 11.16 C ATOM 663 CE LYS A 82 -10.157 -1.591 -17.892 1.00 17.84 C ATOM 664 NZ LYS A 82 -8.673 -1.495 -17.836 1.00 21.56 N ATOM 665 HZ1 LYS A 82 -8.311 -1.189 -18.762 1.00 0.00 H ATOM 666 HZ2 LYS A 82 -8.399 -0.803 -17.109 1.00 0.00 H ATOM 667 HZ3 LYS A 82 -8.275 -2.426 -17.598 1.00 0.00 H ATOM 668 H LYS A 82 -14.653 -0.236 -20.095 1.00 0.00 H ATOM 669 N LYS A 83 -11.813 0.372 -21.571 1.00 6.81 N ATOM 670 CA LYS A 83 -10.711 0.375 -22.527 1.00 7.72 C ATOM 671 C LYS A 83 -10.972 1.350 -23.668 1.00 7.25 C ATOM 672 O LYS A 83 -10.070 2.094 -24.075 1.00 8.05 O ATOM 673 CB LYS A 83 -10.472 -1.042 -23.044 1.00 7.82 C ATOM 674 CG LYS A 83 -9.896 -1.967 -21.980 1.00 12.71 C ATOM 675 CD LYS A 83 -9.631 -3.360 -22.518 1.00 13.11 C ATOM 676 CE LYS A 83 -9.040 -4.252 -21.435 1.00 12.35 C ATOM 677 NZ LYS A 83 -8.880 -5.654 -21.912 1.00 13.80 N ATOM 678 HZ1 LYS A 83 -9.809 -6.035 -22.183 1.00 0.00 H ATOM 679 HZ2 LYS A 83 -8.244 -5.668 -22.735 1.00 0.00 H ATOM 680 HZ3 LYS A 83 -8.475 -6.234 -21.150 1.00 0.00 H ATOM 681 H LYS A 83 -12.416 -0.470 -21.472 1.00 0.00 H ATOM 682 N CYS A 84 -12.199 1.364 -24.196 1.00 6.25 N ATOM 683 CA CYS A 84 -12.530 2.320 -25.245 1.00 6.75 C ATOM 684 C CYS A 84 -12.410 3.755 -24.751 1.00 5.97 C ATOM 685 O CYS A 84 -11.936 4.628 -25.485 1.00 6.94 O ATOM 686 CB CYS A 84 -13.937 2.056 -25.765 1.00 5.75 C ATOM 687 SG CYS A 84 -14.097 0.566 -26.753 1.00 7.37 S ATOM 688 H CYS A 84 -12.918 0.693 -23.858 1.00 0.00 H ATOM 689 N ALA A 85 -12.843 4.024 -23.518 1.00 6.33 N ATOM 690 CA ALA A 85 -12.739 5.375 -22.975 1.00 6.20 C ATOM 691 C ALA A 85 -11.287 5.824 -22.913 1.00 6.09 C ATOM 692 O ALA A 85 -10.966 6.969 -23.251 1.00 7.18 O ATOM 693 CB ALA A 85 -13.391 5.439 -21.593 1.00 7.08 C ATOM 694 H ALA A 85 -13.258 3.266 -22.940 1.00 0.00 H ATOM 695 N ALA A 86 -10.390 4.933 -22.487 1.00 6.81 N ATOM 696 CA ALA A 86 -8.970 5.271 -22.486 1.00 8.36 C ATOM 697 C ALA A 86 -8.460 5.505 -23.904 1.00 9.36 C ATOM 698 O ALA A 86 -7.707 6.459 -24.153 1.00 10.64 O ATOM 699 CB ALA A 86 -8.168 4.170 -21.794 1.00 10.83 C ATOM 700 H ALA A 86 -10.702 3.998 -22.156 1.00 0.00 H ATOM 701 N ASP A 87 -8.867 4.655 -24.852 1.00 9.27 N ATOM 702 CA ASP A 87 -8.426 4.816 -26.233 1.00 10.70 C ATOM 703 C ASP A 87 -8.934 6.120 -26.836 1.00 7.86 C ATOM 704 O ASP A 87 -8.291 6.678 -27.734 1.00 10.08 O ATOM 705 CB ASP A 87 -8.891 3.627 -27.074 1.00 12.03 C ATOM 706 CG ASP A 87 -8.207 2.329 -26.688 1.00 16.10 C ATOM 707 OD1 ASP A 87 -7.197 2.372 -25.957 1.00 23.49 O ATOM 708 OD2 ASP A 87 -8.690 1.264 -27.126 1.00 24.23 O ATOM 709 H ASP A 87 -9.504 3.872 -24.603 1.00 0.00 H ATOM 710 N LEU A 88 -10.075 6.619 -26.364 1.00 8.05 N ATOM 711 CA LEU A 88 -10.640 7.879 -26.823 1.00 7.84 C ATOM 712 C LEU A 88 -10.133 9.076 -26.028 1.00 8.93 C ATOM 713 O LEU A 88 -10.649 10.186 -26.196 1.00 10.86 O ATOM 714 CB LEU A 88 -12.167 7.807 -26.775 1.00 9.12 C ATOM 715 CG LEU A 88 -12.765 6.820 -27.781 1.00 8.20 C ATOM 716 CD1 LEU A 88 -14.242 6.579 -27.503 1.00 12.53 C ATOM 717 CD2 LEU A 88 -12.549 7.285 -29.210 1.00 14.45 C ATOM 718 H LEU A 88 -10.586 6.083 -25.633 1.00 0.00 H ATOM 719 N GLY A 89 -9.143 8.879 -25.165 1.00 8.57 N ATOM 720 CA GLY A 89 -8.533 10.005 -24.479 1.00 8.28 C ATOM 721 C GLY A 89 -9.349 10.626 -23.367 1.00 7.51 C ATOM 722 O GLY A 89 -9.141 11.800 -23.041 1.00 8.99 O ATOM 723 H GLY A 89 -8.803 7.914 -24.979 1.00 0.00 H ATOM 724 N LEU A 90 -10.265 9.873 -22.754 1.00 7.95 N ATOM 725 CA LEU A 90 -11.092 10.404 -21.669 1.00 8.65 C ATOM 726 C LEU A 90 -10.340 10.337 -20.336 1.00 8.84 C ATOM 727 O LEU A 90 -10.754 9.688 -19.373 1.00 9.93 O ATOM 728 CB LEU A 90 -12.431 9.684 -21.611 1.00 7.01 C ATOM 729 CG LEU A 90 -13.258 9.782 -22.890 1.00 7.37 C ATOM 730 CD1 LEU A 90 -14.611 9.121 -22.675 1.00 8.59 C ATOM 731 CD2 LEU A 90 -13.425 11.238 -23.325 1.00 9.95 C ATOM 732 H LEU A 90 -10.394 8.886 -23.054 1.00 0.00 H ATOM 733 N ASN A 91 -9.214 11.056 -20.296 1.00 10.29 N ATOM 734 CA ASN A 91 -8.267 10.943 -19.191 1.00 9.40 C ATOM 735 C ASN A 91 -8.735 11.618 -17.906 1.00 10.77 C ATOM 736 O ASN A 91 -8.135 11.380 -16.852 1.00 13.34 O ATOM 737 CB ASN A 91 -6.864 11.427 -19.604 1.00 12.33 C ATOM 738 CG ASN A 91 -6.859 12.836 -20.177 1.00 12.20 C ATOM 739 OD1 ASN A 91 -7.438 13.759 -19.605 1.00 13.68 O ATOM 740 ND2 ASN A 91 -6.181 13.009 -21.313 1.00 13.92 N ATOM 741 HD22 ASN A 91 -5.706 12.201 -21.763 1.00 0.00 H ATOM 742 HD21 ASN A 91 -6.128 13.952 -21.748 1.00 0.00 H ATOM 743 H ASN A 91 -9.007 11.714 -21.074 1.00 0.00 H ATOM 744 N LYS A 92 -9.770 12.448 -17.959 1.00 8.94 N ATOM 745 CA LYS A 92 -10.339 13.028 -16.754 1.00 9.23 C ATOM 746 C LYS A 92 -11.473 12.195 -16.182 1.00 7.47 C ATOM 747 O LYS A 92 -11.989 12.535 -15.112 1.00 10.24 O ATOM 748 CB LYS A 92 -10.858 14.443 -17.033 1.00 12.00 C ATOM 749 CG LYS A 92 -9.781 15.511 -17.150 1.00 16.54 C ATOM 750 CD LYS A 92 -10.357 16.885 -16.825 1.00 14.87 C ATOM 751 CE LYS A 92 -9.393 18.018 -17.174 1.00 17.56 C ATOM 752 NZ LYS A 92 -9.390 18.349 -18.632 1.00 20.32 N ATOM 753 HZ1 LYS A 92 -9.105 17.510 -19.176 1.00 0.00 H ATOM 754 HZ2 LYS A 92 -10.345 18.643 -18.921 1.00 0.00 H ATOM 755 HZ3 LYS A 92 -8.719 19.123 -18.809 1.00 0.00 H ATOM 756 H LYS A 92 -10.183 12.688 -18.883 1.00 0.00 H ATOM 757 N GLY A 93 -11.893 11.144 -16.869 1.00 7.15 N ATOM 758 CA GLY A 93 -12.916 10.254 -16.363 1.00 7.85 C ATOM 759 C GLY A 93 -14.152 10.260 -17.234 1.00 5.49 C ATOM 760 O GLY A 93 -14.179 10.831 -18.331 1.00 6.68 O ATOM 761 H GLY A 93 -11.475 10.952 -17.802 1.00 0.00 H ATOM 762 N TYR A 94 -15.194 9.602 -16.736 1.00 5.56 N ATOM 763 CA TYR A 94 -16.380 9.326 -17.539 1.00 5.34 C ATOM 764 C TYR A 94 -17.421 8.691 -16.632 1.00 3.89 C ATOM 765 O TYR A 94 -17.132 8.315 -15.491 1.00 4.84 O ATOM 766 CB TYR A 94 -16.072 8.408 -18.737 1.00 5.52 C ATOM 767 CG TYR A 94 -15.214 7.224 -18.380 1.00 5.22 C ATOM 768 CD1 TYR A 94 -15.780 6.055 -17.886 1.00 5.54 C ATOM 769 CD2 TYR A 94 -13.839 7.273 -18.526 1.00 5.97 C ATOM 770 CE1 TYR A 94 -14.993 4.971 -17.544 1.00 6.67 C ATOM 771 CE2 TYR A 94 -13.045 6.191 -18.201 1.00 6.92 C ATOM 772 CZ TYR A 94 -13.629 5.044 -17.702 1.00 6.30 C ATOM 773 OH TYR A 94 -12.863 3.951 -17.366 1.00 7.93 O ATOM 774 HH TYR A 94 -12.374 3.634 -18.166 1.00 0.00 H ATOM 775 H TYR A 94 -15.163 9.276 -15.749 1.00 0.00 H ATOM 776 N ARG A 95 -18.642 8.587 -17.151 1.00 4.56 N ATOM 777 CA ARG A 95 -19.753 7.965 -16.445 1.00 4.53 C ATOM 778 C ARG A 95 -20.325 6.845 -17.303 1.00 4.19 C ATOM 779 O ARG A 95 -20.554 7.033 -18.505 1.00 4.71 O ATOM 780 CB ARG A 95 -20.848 8.995 -16.153 1.00 5.16 C ATOM 781 CG ARG A 95 -22.083 8.397 -15.495 1.00 5.17 C ATOM 782 CD ARG A 95 -22.968 9.471 -14.904 1.00 5.63 C ATOM 783 NE ARG A 95 -22.288 10.118 -13.789 1.00 5.62 N ATOM 784 CZ ARG A 95 -22.588 11.312 -13.289 1.00 4.58 C ATOM 785 NH1 ARG A 95 -23.604 12.016 -13.779 1.00 5.21 N ATOM 786 NH2 ARG A 95 -21.874 11.781 -12.279 1.00 5.41 N ATOM 787 HE ARG A 95 -21.501 9.601 -13.347 1.00 0.00 H ATOM 788 HH12 ARG A 95 -23.830 12.949 -13.380 1.00 0.00 H ATOM 789 HH11 ARG A 95 -24.173 11.633 -14.561 1.00 0.00 H ATOM 790 HH22 ARG A 95 -22.095 12.714 -11.875 1.00 0.00 H ATOM 791 HH21 ARG A 95 -21.092 11.217 -11.889 1.00 0.00 H ATOM 792 H ARG A 95 -18.810 8.967 -18.104 1.00 0.00 H ATOM 793 N MET A 96 -20.561 5.693 -16.679 1.00 4.15 N ATOM 794 CA MET A 96 -21.196 4.547 -17.314 1.00 4.03 C ATOM 795 C MET A 96 -22.622 4.430 -16.802 1.00 3.81 C ATOM 796 O MET A 96 -22.858 4.554 -15.598 1.00 4.71 O ATOM 797 CB MET A 96 -20.446 3.266 -16.973 1.00 5.72 C ATOM 798 CG MET A 96 -19.039 3.218 -17.503 1.00 7.34 C ATOM 799 SD MET A 96 -18.197 1.712 -17.036 1.00 8.15 S ATOM 800 CE MET A 96 -16.987 1.589 -18.345 1.00 9.20 C ATOM 801 H MET A 96 -20.276 5.607 -15.683 1.00 0.00 H ATOM 802 N VAL A 97 -23.573 4.178 -17.705 1.00 4.06 N ATOM 803 CA VAL A 97 -24.993 4.166 -17.355 1.00 4.85 C ATOM 804 C VAL A 97 -25.685 2.989 -18.032 1.00 4.49 C ATOM 805 O VAL A 97 -25.534 2.784 -19.243 1.00 4.79 O ATOM 806 CB VAL A 97 -25.695 5.472 -17.776 1.00 5.35 C ATOM 807 CG1 VAL A 97 -27.165 5.454 -17.362 1.00 7.35 C ATOM 808 CG2 VAL A 97 -24.994 6.680 -17.195 1.00 6.92 C ATOM 809 H VAL A 97 -23.295 3.984 -18.688 1.00 0.00 H ATOM 810 N VAL A 98 -26.477 2.241 -17.264 1.00 4.81 N ATOM 811 CA VAL A 98 -27.441 1.289 -17.808 1.00 4.89 C ATOM 812 C VAL A 98 -28.835 1.752 -17.407 1.00 5.60 C ATOM 813 O VAL A 98 -29.115 1.946 -16.218 1.00 7.13 O ATOM 814 CB VAL A 98 -27.193 -0.149 -17.317 1.00 6.93 C ATOM 815 CG1 VAL A 98 -28.236 -1.099 -17.915 1.00 8.60 C ATOM 816 CG2 VAL A 98 -25.803 -0.609 -17.682 1.00 8.63 C ATOM 817 H VAL A 98 -26.405 2.340 -16.231 1.00 0.00 H ATOM 818 N ASN A 99 -29.713 1.900 -18.391 1.00 6.31 N ATOM 819 CA ASN A 99 -31.097 2.286 -18.160 1.00 7.06 C ATOM 820 C ASN A 99 -31.984 1.054 -18.230 1.00 7.64 C ATOM 821 O ASN A 99 -31.878 0.263 -19.175 1.00 9.29 O ATOM 822 CB ASN A 99 -31.548 3.287 -19.220 1.00 7.82 C ATOM 823 CG ASN A 99 -30.808 4.600 -19.123 1.00 7.85 C ATOM 824 OD1 ASN A 99 -30.315 4.968 -18.058 1.00 8.43 O ATOM 825 ND2 ASN A 99 -30.730 5.318 -20.229 1.00 10.11 N ATOM 826 HD22 ASN A 99 -31.162 4.968 -21.108 1.00 0.00 H ATOM 827 HD21 ASN A 99 -30.237 6.234 -20.221 1.00 0.00 H ATOM 828 H ASN A 99 -29.399 1.733 -19.368 1.00 0.00 H ATOM 829 N GLU A 100 -32.863 0.897 -17.241 1.00 6.97 N ATOM 830 CA GLU A 100 -33.833 -0.193 -17.215 1.00 7.39 C ATOM 831 C GLU A 100 -35.243 0.370 -17.225 1.00 7.07 C ATOM 832 O GLU A 100 -35.630 1.119 -16.318 1.00 7.65 O ATOM 833 CB GLU A 100 -33.655 -1.094 -15.993 1.00 9.39 C ATOM 834 CG GLU A 100 -34.887 -1.972 -15.705 1.00 9.92 C ATOM 835 CD GLU A 100 -35.070 -3.119 -16.695 1.00 8.97 C ATOM 836 OE1 GLU A 100 -34.056 -3.623 -17.213 1.00 9.76 O ATOM 837 OE2 GLU A 100 -36.230 -3.549 -16.922 1.00 10.96 O ATOM 838 H GLU A 100 -32.858 1.579 -16.456 1.00 0.00 H ATOM 839 N GLY A 101 -36.012 -0.009 -18.237 1.00 7.47 N ATOM 840 CA GLY A 101 -37.431 0.251 -18.211 1.00 9.33 C ATOM 841 C GLY A 101 -37.803 1.721 -18.313 1.00 8.13 C ATOM 842 O GLY A 101 -37.000 2.589 -18.665 1.00 8.45 O ATOM 843 H GLY A 101 -35.590 -0.496 -19.053 1.00 0.00 H ATOM 844 N SER A 102 -39.068 1.980 -17.974 1.00 7.92 N ATOM 845 CA SER A 102 -39.649 3.304 -18.163 1.00 9.64 C ATOM 846 C SER A 102 -39.000 4.333 -17.244 1.00 8.43 C ATOM 847 O SER A 102 -38.569 5.400 -17.694 1.00 8.87 O ATOM 848 CB SER A 102 -41.161 3.237 -17.932 1.00 12.20 C ATOM 849 OG SER A 102 -41.783 4.462 -18.268 1.00 16.50 O ATOM 850 HG SER A 102 -41.408 5.186 -17.706 1.00 0.00 H ATOM 851 H SER A 102 -39.651 1.222 -17.567 1.00 0.00 H ATOM 852 N ASP A 103 -38.930 4.034 -15.946 1.00 8.23 N ATOM 853 CA ASP A 103 -38.330 4.971 -14.996 1.00 8.32 C ATOM 854 C ASP A 103 -36.840 5.150 -15.250 1.00 7.42 C ATOM 855 O ASP A 103 -36.285 6.210 -14.947 1.00 7.98 O ATOM 856 CB ASP A 103 -38.550 4.495 -13.557 1.00 10.20 C ATOM 857 CG ASP A 103 -39.869 4.973 -12.963 1.00 11.56 C ATOM 858 OD1 ASP A 103 -40.614 5.700 -13.651 1.00 12.46 O ATOM 859 OD2 ASP A 103 -40.161 4.602 -11.804 1.00 10.95 O ATOM 860 H ASP A 103 -39.306 3.126 -15.606 1.00 0.00 H ATOM 861 N GLY A 104 -36.180 4.134 -15.808 1.00 7.85 N ATOM 862 CA GLY A 104 -34.779 4.277 -16.150 1.00 7.98 C ATOM 863 C GLY A 104 -34.517 5.039 -17.425 1.00 8.26 C ATOM 864 O GLY A 104 -33.357 5.365 -17.709 1.00 9.39 O ATOM 865 H GLY A 104 -36.672 3.238 -15.998 1.00 0.00 H ATOM 866 N GLY A 105 -35.556 5.341 -18.202 1.00 8.19 N ATOM 867 CA GLY A 105 -35.352 6.013 -19.465 1.00 9.24 C ATOM 868 C GLY A 105 -34.873 5.120 -20.583 1.00 8.90 C ATOM 869 O GLY A 105 -34.249 5.614 -21.526 1.00 10.31 O ATOM 870 H GLY A 105 -36.519 5.092 -17.898 1.00 0.00 H ATOM 871 N GLN A 106 -35.146 3.818 -20.518 1.00 7.83 N ATOM 872 CA GLN A 106 -34.738 2.927 -21.596 1.00 8.36 C ATOM 873 C GLN A 106 -35.625 3.139 -22.822 1.00 9.67 C ATOM 874 O GLN A 106 -36.857 3.105 -22.724 1.00 13.26 O ATOM 875 CB GLN A 106 -34.823 1.475 -21.127 1.00 8.15 C ATOM 876 CG GLN A 106 -34.331 0.501 -22.169 1.00 7.77 C ATOM 877 CD GLN A 106 -34.155 -0.916 -21.641 1.00 6.98 C ATOM 878 OE1 GLN A 106 -34.578 -1.255 -20.532 1.00 6.91 O ATOM 879 NE2 GLN A 106 -33.531 -1.760 -22.451 1.00 7.45 N ATOM 880 HE22 GLN A 106 -33.190 -1.435 -23.378 1.00 0.00 H ATOM 881 HE21 GLN A 106 -33.383 -2.747 -22.159 1.00 0.00 H ATOM 882 H GLN A 106 -35.653 3.436 -19.694 1.00 0.00 H ATOM 883 N SER A 107 -35.004 3.370 -23.980 1.00 8.89 N ATOM 884 CA SER A 107 -35.745 3.573 -25.221 1.00 9.40 C ATOM 885 C SER A 107 -35.533 2.471 -26.249 1.00 9.11 C ATOM 886 O SER A 107 -36.341 2.351 -27.178 1.00 12.71 O ATOM 887 CB SER A 107 -35.389 4.922 -25.865 1.00 12.38 C ATOM 888 OG SER A 107 -34.039 4.942 -26.291 1.00 13.23 O ATOM 889 HG SER A 107 -33.837 5.820 -26.701 1.00 0.00 H ATOM 890 H SER A 107 -33.965 3.406 -23.999 1.00 0.00 H ATOM 891 N VAL A 108 -34.458 1.695 -26.133 1.00 7.46 N ATOM 892 CA VAL A 108 -34.175 0.578 -27.026 1.00 6.89 C ATOM 893 C VAL A 108 -34.041 -0.658 -26.153 1.00 5.91 C ATOM 894 O VAL A 108 -33.216 -0.682 -25.229 1.00 6.20 O ATOM 895 CB VAL A 108 -32.892 0.807 -27.843 1.00 8.24 C ATOM 896 CG1 VAL A 108 -32.595 -0.413 -28.702 1.00 8.52 C ATOM 897 CG2 VAL A 108 -33.010 2.066 -28.703 1.00 9.21 C ATOM 898 H VAL A 108 -33.785 1.896 -25.366 1.00 0.00 H ATOM 899 N TYR A 109 -34.853 -1.678 -26.434 1.00 6.03 N ATOM 900 CA TYR A 109 -34.889 -2.889 -25.616 1.00 5.74 C ATOM 901 C TYR A 109 -33.911 -3.946 -26.138 1.00 5.44 C ATOM 902 O TYR A 109 -34.259 -5.047 -26.567 1.00 6.30 O ATOM 903 CB TYR A 109 -36.325 -3.374 -25.429 1.00 6.58 C ATOM 904 CG TYR A 109 -36.984 -2.518 -24.376 1.00 7.70 C ATOM 905 CD1 TYR A 109 -37.530 -1.278 -24.694 1.00 8.19 C ATOM 906 CD2 TYR A 109 -36.970 -2.899 -23.047 1.00 7.76 C ATOM 907 CE1 TYR A 109 -38.085 -0.464 -23.706 1.00 9.96 C ATOM 908 CE2 TYR A 109 -37.518 -2.100 -22.064 1.00 9.58 C ATOM 909 CZ TYR A 109 -38.073 -0.890 -22.395 1.00 9.64 C ATOM 910 OH TYR A 109 -38.615 -0.108 -21.393 1.00 13.20 O ATOM 911 HH TYR A 109 -38.973 0.727 -21.785 1.00 0.00 H ATOM 912 H TYR A 109 -35.480 -1.610 -27.261 1.00 0.00 H ATOM 913 N HIS A 110 -32.642 -3.544 -26.096 1.00 5.94 N ATOM 914 CA HIS A 110 -31.482 -4.409 -26.262 1.00 5.43 C ATOM 915 C HIS A 110 -30.462 -3.826 -25.300 1.00 5.54 C ATOM 916 O HIS A 110 -30.175 -2.628 -25.373 1.00 6.74 O ATOM 917 CB HIS A 110 -30.973 -4.349 -27.710 1.00 6.35 C ATOM 918 CG HIS A 110 -29.782 -5.212 -27.988 1.00 5.34 C ATOM 919 ND1 HIS A 110 -29.870 -6.383 -28.710 1.00 7.78 N ATOM 920 CD2 HIS A 110 -28.468 -5.041 -27.701 1.00 6.47 C ATOM 921 CE1 HIS A 110 -28.664 -6.909 -28.833 1.00 7.45 C ATOM 922 NE2 HIS A 110 -27.797 -6.119 -28.221 1.00 6.20 N ATOM 923 H HIS A 110 -32.465 -2.532 -25.932 1.00 0.00 H ATOM 924 N VAL A 111 -29.966 -4.644 -24.365 1.00 5.73 N ATOM 925 CA VAL A 111 -29.116 -4.147 -23.284 1.00 5.34 C ATOM 926 C VAL A 111 -27.960 -3.335 -23.837 1.00 5.52 C ATOM 927 O VAL A 111 -27.328 -3.712 -24.829 1.00 5.97 O ATOM 928 CB VAL A 111 -28.602 -5.329 -22.440 1.00 7.75 C ATOM 929 CG1 VAL A 111 -27.349 -4.948 -21.625 1.00 8.04 C ATOM 930 CG2 VAL A 111 -29.700 -5.848 -21.536 1.00 9.43 C ATOM 931 H VAL A 111 -30.190 -5.659 -24.408 1.00 0.00 H ATOM 932 N HIS A 112 -27.665 -2.216 -23.178 1.00 5.55 N ATOM 933 CA HIS A 112 -26.590 -1.351 -23.636 1.00 6.00 C ATOM 934 C HIS A 112 -26.027 -0.553 -22.469 1.00 5.57 C ATOM 935 O HIS A 112 -26.752 -0.164 -21.544 1.00 7.23 O ATOM 936 CB HIS A 112 -27.040 -0.422 -24.774 1.00 6.88 C ATOM 937 CG HIS A 112 -28.210 0.446 -24.432 1.00 6.74 C ATOM 938 ND1 HIS A 112 -29.511 -0.011 -24.432 1.00 7.13 N ATOM 939 CD2 HIS A 112 -28.271 1.756 -24.096 1.00 8.88 C ATOM 940 CE1 HIS A 112 -30.321 0.981 -24.100 1.00 9.23 C ATOM 941 NE2 HIS A 112 -29.593 2.065 -23.893 1.00 10.71 N ATOM 942 H HIS A 112 -28.208 -1.959 -22.329 1.00 0.00 H ATOM 943 N LEU A 113 -24.722 -0.315 -22.529 1.00 4.60 N ATOM 944 CA LEU A 113 -23.997 0.496 -21.561 1.00 5.10 C ATOM 945 C LEU A 113 -23.625 1.818 -22.225 1.00 4.22 C ATOM 946 O LEU A 113 -22.898 1.824 -23.226 1.00 5.12 O ATOM 947 CB LEU A 113 -22.727 -0.243 -21.144 1.00 5.73 C ATOM 948 CG LEU A 113 -21.837 0.454 -20.119 1.00 6.31 C ATOM 949 CD1 LEU A 113 -22.489 0.431 -18.742 1.00 7.98 C ATOM 950 CD2 LEU A 113 -20.467 -0.211 -20.072 1.00 8.61 C ATOM 951 H LEU A 113 -24.185 -0.733 -23.315 1.00 0.00 H ATOM 952 N HIS A 114 -24.135 2.929 -21.690 1.00 4.45 N ATOM 953 CA HIS A 114 -23.698 4.251 -22.125 1.00 4.43 C ATOM 954 C HIS A 114 -22.379 4.582 -21.448 1.00 4.38 C ATOM 955 O HIS A 114 -22.195 4.296 -20.264 1.00 4.48 O ATOM 956 CB HIS A 114 -24.690 5.325 -21.675 1.00 5.48 C ATOM 957 CG HIS A 114 -26.043 5.230 -22.298 1.00 4.99 C ATOM 958 ND1 HIS A 114 -26.429 6.023 -23.355 1.00 5.41 N ATOM 959 CD2 HIS A 114 -27.114 4.461 -21.991 1.00 6.08 C ATOM 960 CE1 HIS A 114 -27.672 5.729 -23.687 1.00 5.56 C ATOM 961 NE2 HIS A 114 -28.115 4.790 -22.872 1.00 7.15 N ATOM 962 H HIS A 114 -24.859 2.851 -20.948 1.00 0.00 H ATOM 963 N VAL A 115 -21.482 5.238 -22.185 1.00 4.06 N ATOM 964 CA VAL A 115 -20.258 5.803 -21.626 1.00 4.41 C ATOM 965 C VAL A 115 -20.179 7.252 -22.079 1.00 4.29 C ATOM 966 O VAL A 115 -20.156 7.522 -23.286 1.00 4.61 O ATOM 967 CB VAL A 115 -19.001 5.025 -22.047 1.00 4.76 C ATOM 968 CG1 VAL A 115 -17.769 5.582 -21.341 1.00 6.32 C ATOM 969 CG2 VAL A 115 -19.171 3.539 -21.754 1.00 6.85 C ATOM 970 H VAL A 115 -21.663 5.352 -23.203 1.00 0.00 H ATOM 971 N LEU A 116 -20.136 8.177 -21.118 1.00 4.44 N ATOM 972 CA LEU A 116 -20.184 9.613 -21.378 1.00 4.95 C ATOM 973 C LEU A 116 -18.972 10.289 -20.759 1.00 4.47 C ATOM 974 O LEU A 116 -18.651 10.039 -19.597 1.00 4.98 O ATOM 975 CB LEU A 116 -21.447 10.255 -20.773 1.00 5.63 C ATOM 976 CG LEU A 116 -22.780 9.642 -21.214 1.00 6.86 C ATOM 977 CD1 LEU A 116 -23.306 8.643 -20.185 1.00 7.93 C ATOM 978 CD2 LEU A 116 -23.826 10.708 -21.515 1.00 9.14 C ATOM 979 H LEU A 116 -20.064 7.858 -20.131 1.00 0.00 H ATOM 980 N GLY A 117 -18.335 11.185 -21.502 1.00 4.99 N ATOM 981 CA GLY A 117 -17.231 11.935 -20.950 1.00 5.98 C ATOM 982 C GLY A 117 -16.891 13.145 -21.791 1.00 4.70 C ATOM 983 O GLY A 117 -17.623 13.522 -22.713 1.00 5.44 O ATOM 984 H GLY A 117 -18.632 11.348 -22.485 1.00 0.00 H ATOM 985 N GLY A 118 -15.745 13.743 -21.470 1.00 5.15 N ATOM 986 CA GLY A 118 -15.301 14.951 -22.130 1.00 6.49 C ATOM 987 C GLY A 118 -15.870 16.222 -21.558 1.00 5.16 C ATOM 988 O GLY A 118 -15.648 17.291 -22.133 1.00 6.91 O ATOM 989 H GLY A 118 -15.152 13.329 -20.723 1.00 0.00 H ATOM 990 N ARG A 119 -16.616 16.132 -20.459 1.00 6.01 N ATOM 991 CA ARG A 119 -17.090 17.281 -19.709 1.00 5.81 C ATOM 992 C ARG A 119 -17.314 16.819 -18.279 1.00 6.13 C ATOM 993 O ARG A 119 -17.331 15.618 -17.987 1.00 6.21 O ATOM 994 CB ARG A 119 -18.394 17.843 -20.290 1.00 7.81 C ATOM 995 CG ARG A 119 -19.613 16.928 -20.123 1.00 7.29 C ATOM 996 CD ARG A 119 -20.907 17.677 -20.392 1.00 8.33 C ATOM 997 NE ARG A 119 -22.083 16.819 -20.508 1.00 7.88 N ATOM 998 CZ ARG A 119 -22.860 16.451 -19.490 1.00 6.95 C ATOM 999 NH1 ARG A 119 -22.591 16.843 -18.248 1.00 7.03 N ATOM 1000 NH2 ARG A 119 -23.919 15.689 -19.719 1.00 8.90 N ATOM 1001 HE ARG A 119 -22.332 16.469 -21.455 1.00 0.00 H ATOM 1002 HH12 ARG A 119 -23.207 16.547 -17.464 1.00 0.00 H ATOM 1003 HH11 ARG A 119 -21.764 17.445 -18.060 1.00 0.00 H ATOM 1004 HH22 ARG A 119 -24.530 15.398 -18.930 1.00 0.00 H ATOM 1005 HH21 ARG A 119 -24.139 15.382 -20.688 1.00 0.00 H ATOM 1006 H ARG A 119 -16.874 15.184 -20.118 1.00 0.00 H ATOM 1007 N GLN A 120 -17.486 17.781 -17.379 1.00 6.05 N ATOM 1008 CA GLN A 120 -17.870 17.449 -16.014 1.00 5.21 C ATOM 1009 C GLN A 120 -19.290 16.895 -16.013 1.00 6.65 C ATOM 1010 O GLN A 120 -20.216 17.558 -16.487 1.00 7.01 O ATOM 1011 CB GLN A 120 -17.813 18.700 -15.142 1.00 6.51 C ATOM 1012 CG GLN A 120 -18.230 18.457 -13.703 1.00 6.64 C ATOM 1013 CD GLN A 120 -17.247 17.564 -12.988 1.00 7.43 C ATOM 1014 OE1 GLN A 120 -16.109 17.961 -12.761 1.00 8.37 O ATOM 1015 NE2 GLN A 120 -17.665 16.347 -12.647 1.00 7.05 N ATOM 1016 HE22 GLN A 120 -18.640 16.053 -12.860 1.00 0.00 H ATOM 1017 HE21 GLN A 120 -17.017 15.690 -12.168 1.00 0.00 H ATOM 1018 H GLN A 120 -17.346 18.775 -17.650 1.00 0.00 H ATOM 1019 N MET A 121 -19.465 15.682 -15.488 1.00 5.71 N ATOM 1020 CA MET A 121 -20.791 15.126 -15.260 1.00 6.16 C ATOM 1021 C MET A 121 -21.286 15.570 -13.888 1.00 5.89 C ATOM 1022 O MET A 121 -20.502 15.749 -12.949 1.00 6.47 O ATOM 1023 CB MET A 121 -20.759 13.598 -15.360 1.00 5.68 C ATOM 1024 CG MET A 121 -20.145 13.078 -16.663 1.00 7.66 C ATOM 1025 SD MET A 121 -21.049 13.560 -18.153 1.00 7.42 S ATOM 1026 CE MET A 121 -22.590 12.689 -17.875 1.00 9.73 C ATOM 1027 H MET A 121 -18.630 15.117 -15.234 1.00 0.00 H ATOM 1028 N HIS A 122 -22.598 15.748 -13.780 1.00 6.33 N ATOM 1029 CA HIS A 122 -23.219 16.346 -12.607 1.00 6.44 C ATOM 1030 C HIS A 122 -23.963 15.298 -11.791 1.00 5.73 C ATOM 1031 O HIS A 122 -24.273 14.202 -12.271 1.00 6.53 O ATOM 1032 CB HIS A 122 -24.202 17.445 -13.026 1.00 7.77 C ATOM 1033 CG HIS A 122 -23.562 18.584 -13.756 1.00 8.74 C ATOM 1034 ND1 HIS A 122 -24.270 19.419 -14.593 1.00 12.97 N ATOM 1035 CD2 HIS A 122 -22.284 19.032 -13.769 1.00 8.13 C ATOM 1036 CE1 HIS A 122 -23.455 20.332 -15.092 1.00 11.50 C ATOM 1037 NE2 HIS A 122 -22.243 20.115 -14.614 1.00 11.45 N ATOM 1038 H HIS A 122 -23.208 15.447 -14.567 1.00 0.00 H ATOM 1039 N TRP A 123 -24.272 15.658 -10.546 1.00 6.81 N ATOM 1040 CA TRP A 123 -25.022 14.790 -9.672 1.00 6.95 C ATOM 1041 C TRP A 123 -26.294 15.522 -9.270 1.00 7.54 C ATOM 1042 O TRP A 123 -26.241 16.729 -9.010 1.00 10.27 O ATOM 1043 CB TRP A 123 -24.193 14.484 -8.421 1.00 7.87 C ATOM 1044 CG TRP A 123 -24.515 13.184 -7.757 1.00 7.19 C ATOM 1045 CD1 TRP A 123 -24.958 13.005 -6.478 1.00 8.42 C ATOM 1046 CD2 TRP A 123 -24.398 11.871 -8.329 1.00 6.95 C ATOM 1047 NE1 TRP A 123 -25.128 11.669 -6.219 1.00 8.47 N ATOM 1048 CE2 TRP A 123 -24.794 10.951 -7.339 1.00 7.05 C ATOM 1049 CE3 TRP A 123 -23.990 11.385 -9.577 1.00 7.66 C ATOM 1050 CZ2 TRP A 123 -24.802 9.572 -7.560 1.00 8.15 C ATOM 1051 CZ3 TRP A 123 -24.007 10.013 -9.797 1.00 6.94 C ATOM 1052 CH2 TRP A 123 -24.404 9.126 -8.793 1.00 8.68 C ATOM 1053 HE1 TRP A 123 -25.457 11.265 -5.319 1.00 0.00 H ATOM 1054 H TRP A 123 -23.965 16.588 -10.196 1.00 0.00 H ATOM 1055 N PRO A 124 -27.455 14.855 -9.244 1.00 6.83 N ATOM 1056 CA PRO A 124 -27.707 13.437 -9.519 1.00 6.66 C ATOM 1057 C PRO A 124 -27.568 13.087 -11.000 1.00 5.31 C ATOM 1058 O PRO A 124 -27.600 13.976 -11.850 1.00 6.43 O ATOM 1059 CB PRO A 124 -29.164 13.264 -9.070 1.00 7.86 C ATOM 1060 CG PRO A 124 -29.776 14.604 -9.310 1.00 9.79 C ATOM 1061 CD PRO A 124 -28.701 15.587 -8.952 1.00 8.72 C ATOM 1062 N PRO A 125 -27.432 11.793 -11.302 1.00 5.75 N ATOM 1063 CA PRO A 125 -27.264 11.351 -12.695 1.00 6.21 C ATOM 1064 C PRO A 125 -28.606 11.244 -13.410 1.00 6.50 C ATOM 1065 O PRO A 125 -29.041 10.158 -13.823 1.00 7.28 O ATOM 1066 CB PRO A 125 -26.580 9.991 -12.516 1.00 6.90 C ATOM 1067 CG PRO A 125 -27.212 9.459 -11.258 1.00 7.23 C ATOM 1068 CD PRO A 125 -27.408 10.658 -10.360 1.00 6.69 C ATOM 1069 N GLY A 126 -29.276 12.381 -13.557 1.00 7.21 N ATOM 1070 CA GLY A 126 -30.657 12.397 -14.001 1.00 7.47 C ATOM 1071 C GLY A 126 -31.618 12.231 -12.842 1.00 8.17 C ATOM 1072 O GLY A 126 -32.794 11.922 -13.071 1.00 8.82 O ATOM 1073 OXT GLY A 126 -31.239 12.402 -11.670 1.00 10.79 O ATOM 1074 H GLY A 126 -28.799 13.282 -13.349 1.00 0.00 H TER 1075 GLY A 126 ATOM 1076 N GLY B 15 -5.131 2.995 -0.709 1.00 38.71 N ATOM 1077 CA GLY B 15 -5.556 3.449 0.602 1.00 33.45 C ATOM 1078 C GLY B 15 -6.990 3.080 0.933 1.00 21.95 C ATOM 1079 O GLY B 15 -7.838 3.003 0.046 1.00 25.48 O ATOM 1080 HN3 GLY B 15 -5.739 3.422 -1.436 1.00 0.00 H ATOM 1081 HN2 GLY B 15 -5.206 1.959 -0.757 1.00 0.00 H ATOM 1082 HN1 GLY B 15 -4.144 3.280 -0.870 1.00 0.00 H ATOM 1083 N ASP B 16 -7.256 2.861 2.218 1.00 21.01 N ATOM 1084 CA ASP B 16 -8.591 2.494 2.666 1.00 21.74 C ATOM 1085 C ASP B 16 -9.579 3.622 2.379 1.00 12.50 C ATOM 1086 O ASP B 16 -9.209 4.791 2.228 1.00 14.52 O ATOM 1087 CB ASP B 16 -8.567 2.183 4.164 1.00 17.29 C ATOM 1088 CG ASP B 16 -9.842 1.514 4.652 1.00 15.59 C ATOM 1089 OD1 ASP B 16 -10.372 0.636 3.942 1.00 14.18 O ATOM 1090 OD2 ASP B 16 -10.296 1.853 5.765 1.00 20.34 O ATOM 1091 H ASP B 16 -6.493 2.954 2.918 1.00 0.00 H ATOM 1092 N THR B 17 -10.854 3.256 2.281 1.00 10.13 N ATOM 1093 CA THR B 17 -11.926 4.221 2.126 1.00 7.87 C ATOM 1094 C THR B 17 -13.042 3.892 3.101 1.00 7.43 C ATOM 1095 O THR B 17 -13.056 2.839 3.750 1.00 7.70 O ATOM 1096 CB THR B 17 -12.519 4.223 0.707 1.00 7.90 C ATOM 1097 OG1 THR B 17 -13.325 3.050 0.514 1.00 8.93 O ATOM 1098 CG2 THR B 17 -11.432 4.291 -0.361 1.00 9.87 C ATOM 1099 HG1 THR B 17 -12.765 2.243 0.634 1.00 0.00 H ATOM 1100 H THR B 17 -11.090 2.244 2.317 1.00 0.00 H ATOM 1101 N ILE B 18 -14.010 4.803 3.169 1.00 6.27 N ATOM 1102 CA ILE B 18 -15.180 4.580 4.003 1.00 7.18 C ATOM 1103 C ILE B 18 -15.939 3.331 3.566 1.00 5.68 C ATOM 1104 O ILE B 18 -16.575 2.665 4.392 1.00 6.43 O ATOM 1105 CB ILE B 18 -16.046 5.852 4.026 1.00 7.48 C ATOM 1106 CG1 ILE B 18 -17.055 5.798 5.168 1.00 9.46 C ATOM 1107 CG2 ILE B 18 -16.711 6.100 2.679 1.00 7.52 C ATOM 1108 CD1 ILE B 18 -17.602 7.152 5.531 1.00 8.80 C ATOM 1109 H ILE B 18 -13.929 5.683 2.620 1.00 0.00 H ATOM 1110 N PHE B 19 -15.889 2.983 2.274 1.00 6.35 N ATOM 1111 CA PHE B 19 -16.547 1.753 1.840 1.00 6.07 C ATOM 1112 C PHE B 19 -15.828 0.512 2.363 1.00 6.68 C ATOM 1113 O PHE B 19 -16.476 -0.510 2.639 1.00 6.37 O ATOM 1114 CB PHE B 19 -16.690 1.713 0.318 1.00 7.27 C ATOM 1115 CG PHE B 19 -17.715 2.681 -0.232 1.00 6.50 C ATOM 1116 CD1 PHE B 19 -18.550 3.406 0.599 1.00 6.36 C ATOM 1117 CD2 PHE B 19 -17.835 2.862 -1.603 1.00 7.83 C ATOM 1118 CE1 PHE B 19 -19.483 4.294 0.075 1.00 6.87 C ATOM 1119 CE2 PHE B 19 -18.766 3.748 -2.129 1.00 8.60 C ATOM 1120 CZ PHE B 19 -19.591 4.457 -1.291 1.00 8.33 C ATOM 1121 H PHE B 19 -15.387 3.582 1.587 1.00 0.00 H ATOM 1122 N GLY B 20 -14.502 0.574 2.496 1.00 6.64 N ATOM 1123 CA GLY B 20 -13.789 -0.493 3.179 1.00 7.84 C ATOM 1124 C GLY B 20 -14.250 -0.663 4.614 1.00 6.92 C ATOM 1125 O GLY B 20 -14.443 -1.788 5.087 1.00 7.89 O ATOM 1126 H GLY B 20 -13.978 1.386 2.111 1.00 0.00 H ATOM 1127 N LYS B 21 -14.454 0.452 5.324 1.00 6.60 N ATOM 1128 CA LYS B 21 -14.956 0.381 6.693 1.00 6.52 C ATOM 1129 C LYS B 21 -16.345 -0.236 6.740 1.00 6.16 C ATOM 1130 O LYS B 21 -16.668 -0.987 7.668 1.00 7.26 O ATOM 1131 CB LYS B 21 -14.985 1.781 7.307 1.00 7.26 C ATOM 1132 CG LYS B 21 -13.623 2.392 7.580 1.00 9.32 C ATOM 1133 CD LYS B 21 -13.766 3.814 8.099 1.00 11.67 C ATOM 1134 CE LYS B 21 -12.453 4.385 8.603 1.00 18.18 C ATOM 1135 NZ LYS B 21 -12.088 3.841 9.937 1.00 28.25 N ATOM 1136 HZ1 LYS B 21 -12.832 4.080 10.623 1.00 0.00 H ATOM 1137 HZ2 LYS B 21 -11.992 2.807 9.874 1.00 0.00 H ATOM 1138 HZ3 LYS B 21 -11.185 4.256 10.244 1.00 0.00 H ATOM 1139 H LYS B 21 -14.253 1.379 4.897 1.00 0.00 H ATOM 1140 N ILE B 22 -17.192 0.091 5.763 1.00 5.98 N ATOM 1141 CA ILE B 22 -18.527 -0.491 5.715 1.00 6.06 C ATOM 1142 C ILE B 22 -18.456 -1.997 5.478 1.00 5.92 C ATOM 1143 O ILE B 22 -19.144 -2.772 6.153 1.00 6.23 O ATOM 1144 CB ILE B 22 -19.401 0.244 4.681 1.00 6.37 C ATOM 1145 CG1 ILE B 22 -19.749 1.649 5.200 1.00 6.28 C ATOM 1146 CG2 ILE B 22 -20.639 -0.573 4.330 1.00 7.21 C ATOM 1147 CD1 ILE B 22 -20.398 2.550 4.167 1.00 7.72 C ATOM 1148 H ILE B 22 -16.897 0.767 5.030 1.00 0.00 H ATOM 1149 N ILE B 23 -17.606 -2.435 4.545 1.00 6.07 N ATOM 1150 CA ILE B 23 -17.436 -3.865 4.278 1.00 6.76 C ATOM 1151 C ILE B 23 -16.980 -4.604 5.527 1.00 7.08 C ATOM 1152 O ILE B 23 -17.425 -5.728 5.801 1.00 7.91 O ATOM 1153 CB ILE B 23 -16.439 -4.070 3.123 1.00 7.99 C ATOM 1154 CG1 ILE B 23 -17.051 -3.661 1.790 1.00 8.52 C ATOM 1155 CG2 ILE B 23 -15.946 -5.523 3.065 1.00 10.26 C ATOM 1156 CD1 ILE B 23 -16.010 -3.444 0.713 1.00 10.56 C ATOM 1157 H ILE B 23 -17.053 -1.746 3.997 1.00 0.00 H ATOM 1158 N ARG B 24 -16.064 -4.006 6.281 1.00 5.96 N ATOM 1159 CA ARG B 24 -15.518 -4.620 7.483 1.00 6.34 C ATOM 1160 C ARG B 24 -16.451 -4.512 8.675 1.00 5.51 C ATOM 1161 O ARG B 24 -16.112 -5.022 9.753 1.00 7.09 O ATOM 1162 CB ARG B 24 -14.153 -4.005 7.800 1.00 7.27 C ATOM 1163 CG ARG B 24 -13.106 -4.325 6.739 1.00 7.87 C ATOM 1164 CD ARG B 24 -11.694 -3.978 7.186 1.00 9.63 C ATOM 1165 NE ARG B 24 -11.580 -2.580 7.594 1.00 9.92 N ATOM 1166 CZ ARG B 24 -11.297 -1.571 6.775 1.00 10.58 C ATOM 1167 NH1 ARG B 24 -11.080 -1.797 5.485 1.00 11.44 N ATOM 1168 NH2 ARG B 24 -11.227 -0.335 7.255 1.00 13.23 N ATOM 1169 HE ARG B 24 -11.731 -2.357 8.599 1.00 0.00 H ATOM 1170 HH12 ARG B 24 -10.859 -1.005 4.848 1.00 0.00 H ATOM 1171 HH11 ARG B 24 -11.131 -2.766 5.111 1.00 0.00 H ATOM 1172 HH22 ARG B 24 -11.006 0.458 6.619 1.00 0.00 H ATOM 1173 HH21 ARG B 24 -11.393 -0.160 8.267 1.00 0.00 H ATOM 1174 H ARG B 24 -15.724 -3.064 6.002 1.00 0.00 H ATOM 1175 N LYS B 25 -17.606 -3.868 8.500 1.00 6.22 N ATOM 1176 CA LYS B 25 -18.625 -3.685 9.528 1.00 6.41 C ATOM 1177 C LYS B 25 -18.168 -2.755 10.645 1.00 7.04 C ATOM 1178 O LYS B 25 -18.729 -2.777 11.745 1.00 8.48 O ATOM 1179 CB LYS B 25 -19.181 -5.016 10.070 1.00 6.86 C ATOM 1180 CG LYS B 25 -19.468 -6.062 8.984 1.00 7.85 C ATOM 1181 CD LYS B 25 -20.492 -5.574 7.961 1.00 8.81 C ATOM 1182 CE LYS B 25 -20.591 -6.523 6.765 1.00 8.54 C ATOM 1183 NZ LYS B 25 -21.024 -7.906 7.156 1.00 6.99 N ATOM 1184 HZ1 LYS B 25 -20.336 -8.307 7.825 1.00 0.00 H ATOM 1185 HZ2 LYS B 25 -21.961 -7.861 7.605 1.00 0.00 H ATOM 1186 HZ3 LYS B 25 -21.074 -8.505 6.307 1.00 0.00 H ATOM 1187 H LYS B 25 -17.794 -3.466 7.560 1.00 0.00 H ATOM 1188 N GLU B 26 -17.166 -1.918 10.372 1.00 6.47 N ATOM 1189 CA GLU B 26 -16.652 -0.997 11.377 1.00 7.61 C ATOM 1190 C GLU B 26 -17.552 0.208 11.580 1.00 8.31 C ATOM 1191 O GLU B 26 -17.554 0.793 12.668 1.00 10.58 O ATOM 1192 CB GLU B 26 -15.247 -0.537 11.004 1.00 8.28 C ATOM 1193 CG GLU B 26 -14.224 -1.653 11.062 1.00 8.80 C ATOM 1194 CD GLU B 26 -12.912 -1.285 10.407 1.00 10.23 C ATOM 1195 OE1 GLU B 26 -12.790 -0.140 9.923 1.00 13.65 O ATOM 1196 OE2 GLU B 26 -12.007 -2.144 10.341 1.00 11.08 O ATOM 1197 H GLU B 26 -16.743 -1.923 9.422 1.00 0.00 H ATOM 1198 N ILE B 27 -18.283 0.619 10.553 1.00 8.28 N ATOM 1199 CA ILE B 27 -19.294 1.661 10.720 1.00 10.13 C ATOM 1200 C ILE B 27 -20.587 1.150 10.104 1.00 10.15 C ATOM 1201 O ILE B 27 -20.574 0.260 9.241 1.00 11.50 O ATOM 1202 CB ILE B 27 -18.854 2.999 10.081 1.00 9.83 C ATOM 1203 CG1 ILE B 27 -18.728 2.841 8.574 1.00 8.59 C ATOM 1204 CG2 ILE B 27 -17.560 3.514 10.705 1.00 12.67 C ATOM 1205 CD1 ILE B 27 -18.741 4.158 7.845 1.00 13.12 C ATOM 1206 H ILE B 27 -18.135 0.194 9.615 1.00 0.00 H ATOM 1207 N PRO B 28 -21.723 1.684 10.528 1.00 9.66 N ATOM 1208 CA PRO B 28 -22.997 1.119 10.079 1.00 9.92 C ATOM 1209 C PRO B 28 -23.393 1.575 8.686 1.00 8.13 C ATOM 1210 O PRO B 28 -22.996 2.642 8.202 1.00 8.90 O ATOM 1211 CB PRO B 28 -23.996 1.644 11.117 1.00 11.78 C ATOM 1212 CG PRO B 28 -23.378 2.900 11.624 1.00 14.79 C ATOM 1213 CD PRO B 28 -21.901 2.637 11.639 1.00 11.93 C ATOM 1214 N ALA B 29 -24.201 0.731 8.053 1.00 8.96 N ATOM 1215 CA ALA B 29 -24.897 1.035 6.815 1.00 8.97 C ATOM 1216 C ALA B 29 -26.131 0.149 6.788 1.00 8.03 C ATOM 1217 O ALA B 29 -26.183 -0.876 7.475 1.00 10.39 O ATOM 1218 CB ALA B 29 -24.012 0.759 5.593 1.00 10.29 C ATOM 1219 H ALA B 29 -24.345 -0.210 8.472 1.00 0.00 H ATOM 1220 N LYS B 30 -27.136 0.550 6.016 1.00 8.52 N ATOM 1221 CA LYS B 30 -28.358 -0.243 5.895 1.00 8.27 C ATOM 1222 C LYS B 30 -28.117 -1.273 4.800 1.00 7.75 C ATOM 1223 O LYS B 30 -28.259 -0.980 3.609 1.00 7.38 O ATOM 1224 CB LYS B 30 -29.557 0.649 5.604 1.00 10.40 C ATOM 1225 CG LYS B 30 -29.713 1.787 6.601 1.00 16.51 C ATOM 1226 CD LYS B 30 -30.927 2.644 6.280 1.00 28.95 C ATOM 1227 CE LYS B 30 -31.234 3.615 7.411 1.00 38.55 C ATOM 1228 NZ LYS B 30 -30.067 4.482 7.732 1.00 37.27 N ATOM 1229 HZ1 LYS B 30 -29.264 3.888 8.022 1.00 0.00 H ATOM 1230 HZ2 LYS B 30 -29.805 5.034 6.891 1.00 0.00 H ATOM 1231 HZ3 LYS B 30 -30.319 5.128 8.507 1.00 0.00 H ATOM 1232 H LYS B 30 -27.052 1.443 5.489 1.00 0.00 H ATOM 1233 N ILE B 31 -27.726 -2.477 5.207 1.00 8.02 N ATOM 1234 CA ILE B 31 -27.310 -3.520 4.275 1.00 7.83 C ATOM 1235 C ILE B 31 -28.538 -4.184 3.672 1.00 7.44 C ATOM 1236 O ILE B 31 -29.477 -4.565 4.389 1.00 9.82 O ATOM 1237 CB ILE B 31 -26.417 -4.554 4.982 1.00 9.46 C ATOM 1238 CG1 ILE B 31 -25.119 -3.899 5.462 1.00 11.34 C ATOM 1239 CG2 ILE B 31 -26.126 -5.740 4.060 1.00 9.19 C ATOM 1240 CD1 ILE B 31 -24.258 -4.789 6.342 1.00 15.22 C ATOM 1241 H ILE B 31 -27.716 -2.683 6.226 1.00 0.00 H ATOM 1242 N ILE B 32 -28.516 -4.348 2.354 1.00 6.82 N ATOM 1243 CA ILE B 32 -29.588 -4.987 1.606 1.00 7.70 C ATOM 1244 C ILE B 32 -29.268 -6.444 1.313 1.00 7.46 C ATOM 1245 O ILE B 32 -30.147 -7.304 1.393 1.00 9.88 O ATOM 1246 CB ILE B 32 -29.812 -4.211 0.290 1.00 8.08 C ATOM 1247 CG1 ILE B 32 -30.264 -2.783 0.575 1.00 7.09 C ATOM 1248 CG2 ILE B 32 -30.796 -4.945 -0.630 1.00 10.10 C ATOM 1249 CD1 ILE B 32 -30.014 -1.852 -0.567 1.00 8.51 C ATOM 1250 H ILE B 32 -27.688 -4.001 1.829 1.00 0.00 H ATOM 1251 N PHE B 33 -28.018 -6.720 0.955 1.00 6.91 N ATOM 1252 CA PHE B 33 -27.621 -8.053 0.535 1.00 6.38 C ATOM 1253 C PHE B 33 -26.121 -8.184 0.715 1.00 5.55 C ATOM 1254 O PHE B 33 -25.379 -7.207 0.579 1.00 6.68 O ATOM 1255 CB PHE B 33 -27.976 -8.291 -0.938 1.00 8.72 C ATOM 1256 CG PHE B 33 -27.526 -9.625 -1.450 1.00 8.13 C ATOM 1257 CD1 PHE B 33 -28.241 -10.769 -1.139 1.00 10.11 C ATOM 1258 CD2 PHE B 33 -26.372 -9.748 -2.209 1.00 8.40 C ATOM 1259 CE1 PHE B 33 -27.823 -12.009 -1.591 1.00 11.27 C ATOM 1260 CE2 PHE B 33 -25.951 -10.993 -2.658 1.00 8.79 C ATOM 1261 CZ PHE B 33 -26.681 -12.115 -2.343 1.00 10.73 C ATOM 1262 H PHE B 33 -27.306 -5.962 0.976 1.00 0.00 H ATOM 1263 N GLU B 34 -25.676 -9.403 1.001 1.00 6.49 N ATOM 1264 CA GLU B 34 -24.254 -9.675 1.086 1.00 5.30 C ATOM 1265 C GLU B 34 -24.012 -11.083 0.564 1.00 5.34 C ATOM 1266 O GLU B 34 -24.860 -11.968 0.726 1.00 6.42 O ATOM 1267 CB GLU B 34 -23.749 -9.528 2.534 1.00 5.59 C ATOM 1268 CG GLU B 34 -22.254 -9.645 2.663 1.00 7.23 C ATOM 1269 CD GLU B 34 -21.715 -9.282 4.043 1.00 7.03 C ATOM 1270 OE1 GLU B 34 -22.504 -8.898 4.939 1.00 8.56 O ATOM 1271 OE2 GLU B 34 -20.481 -9.393 4.214 1.00 9.28 O ATOM 1272 H GLU B 34 -26.356 -10.172 1.166 1.00 0.00 H ATOM 1273 N ASP B 35 -22.854 -11.293 -0.049 1.00 5.58 N ATOM 1274 CA ASP B 35 -22.379 -12.646 -0.324 1.00 5.20 C ATOM 1275 C ASP B 35 -20.882 -12.672 -0.037 1.00 5.87 C ATOM 1276 O ASP B 35 -20.363 -11.823 0.700 1.00 5.78 O ATOM 1277 CB ASP B 35 -22.866 -13.175 -1.685 1.00 4.98 C ATOM 1278 CG ASP B 35 -22.288 -12.422 -2.878 1.00 4.73 C ATOM 1279 OD1 ASP B 35 -21.256 -11.733 -2.746 1.00 5.68 O ATOM 1280 OD2 ASP B 35 -22.877 -12.556 -3.978 1.00 6.10 O ATOM 1281 H ASP B 35 -22.274 -10.479 -0.339 1.00 0.00 H ATOM 1282 N ASP B 36 -20.179 -13.666 -0.582 1.00 6.04 N ATOM 1283 CA ASP B 36 -18.751 -13.803 -0.323 1.00 5.46 C ATOM 1284 C ASP B 36 -17.905 -12.784 -1.077 1.00 6.01 C ATOM 1285 O ASP B 36 -16.704 -12.671 -0.805 1.00 7.32 O ATOM 1286 CB ASP B 36 -18.275 -15.232 -0.626 1.00 6.22 C ATOM 1287 CG ASP B 36 -18.436 -15.617 -2.089 1.00 5.89 C ATOM 1288 OD1 ASP B 36 -19.219 -14.952 -2.803 1.00 6.67 O ATOM 1289 OD2 ASP B 36 -17.770 -16.592 -2.511 1.00 7.40 O ATOM 1290 H ASP B 36 -20.656 -14.353 -1.200 1.00 0.00 H ATOM 1291 N ARG B 37 -18.490 -12.044 -2.016 1.00 5.55 N ATOM 1292 CA ARG B 37 -17.680 -11.221 -2.903 1.00 5.76 C ATOM 1293 C ARG B 37 -18.233 -9.822 -3.129 1.00 5.39 C ATOM 1294 O ARG B 37 -17.581 -9.031 -3.818 1.00 6.07 O ATOM 1295 CB ARG B 37 -17.432 -11.937 -4.249 1.00 6.56 C ATOM 1296 CG ARG B 37 -18.684 -12.215 -5.069 1.00 6.99 C ATOM 1297 CD ARG B 37 -18.448 -13.293 -6.117 1.00 7.28 C ATOM 1298 NE ARG B 37 -18.237 -14.585 -5.466 1.00 6.39 N ATOM 1299 CZ ARG B 37 -17.788 -15.675 -6.083 1.00 6.47 C ATOM 1300 NH1 ARG B 37 -17.478 -15.649 -7.375 1.00 8.20 N ATOM 1301 NH2 ARG B 37 -17.639 -16.799 -5.391 1.00 7.35 N ATOM 1302 HE ARG B 37 -18.453 -14.657 -4.451 1.00 0.00 H ATOM 1303 HH12 ARG B 37 -17.128 -16.509 -7.843 1.00 0.00 H ATOM 1304 HH11 ARG B 37 -17.585 -14.768 -7.918 1.00 0.00 H ATOM 1305 HH22 ARG B 37 -17.289 -17.657 -5.862 1.00 0.00 H ATOM 1306 HH21 ARG B 37 -17.872 -16.821 -4.378 1.00 0.00 H ATOM 1307 H ARG B 37 -19.525 -12.054 -2.116 1.00 0.00 H ATOM 1308 N CYS B 38 -19.389 -9.478 -2.568 1.00 5.21 N ATOM 1309 CA CYS B 38 -19.931 -8.136 -2.743 1.00 5.74 C ATOM 1310 C CYS B 38 -20.876 -7.812 -1.597 1.00 5.28 C ATOM 1311 O CYS B 38 -21.249 -8.676 -0.796 1.00 5.85 O ATOM 1312 CB CYS B 38 -20.622 -7.960 -4.098 1.00 5.61 C ATOM 1313 SG CYS B 38 -22.215 -8.811 -4.257 1.00 6.46 S ATOM 1314 H CYS B 38 -19.912 -10.174 -1.999 1.00 0.00 H ATOM 1315 N LEU B 39 -21.237 -6.534 -1.526 1.00 5.90 N ATOM 1316 CA LEU B 39 -22.125 -6.001 -0.505 1.00 5.45 C ATOM 1317 C LEU B 39 -23.004 -4.951 -1.158 1.00 5.47 C ATOM 1318 O LEU B 39 -22.509 -4.113 -1.921 1.00 6.38 O ATOM 1319 CB LEU B 39 -21.315 -5.333 0.612 1.00 6.66 C ATOM 1320 CG LEU B 39 -22.095 -4.835 1.827 1.00 6.51 C ATOM 1321 CD1 LEU B 39 -22.620 -6.022 2.625 1.00 7.06 C ATOM 1322 CD2 LEU B 39 -21.221 -3.950 2.708 1.00 8.56 C ATOM 1323 H LEU B 39 -20.863 -5.878 -2.241 1.00 0.00 H ATOM 1324 N ALA B 40 -24.301 -4.995 -0.870 1.00 5.77 N ATOM 1325 CA ALA B 40 -25.244 -3.987 -1.337 1.00 6.12 C ATOM 1326 C ALA B 40 -25.855 -3.282 -0.135 1.00 5.55 C ATOM 1327 O ALA B 40 -26.252 -3.939 0.834 1.00 6.24 O ATOM 1328 CB ALA B 40 -26.354 -4.614 -2.184 1.00 6.43 C ATOM 1329 H ALA B 40 -24.657 -5.780 -0.288 1.00 0.00 H ATOM 1330 N PHE B 41 -25.929 -1.951 -0.191 1.00 5.79 N ATOM 1331 CA PHE B 41 -26.412 -1.172 0.943 1.00 6.19 C ATOM 1332 C PHE B 41 -26.977 0.153 0.447 1.00 5.73 C ATOM 1333 O PHE B 41 -26.590 0.653 -0.611 1.00 5.90 O ATOM 1334 CB PHE B 41 -25.312 -0.947 1.997 1.00 6.41 C ATOM 1335 CG PHE B 41 -24.057 -0.298 1.461 1.00 6.53 C ATOM 1336 CD1 PHE B 41 -23.061 -1.061 0.865 1.00 8.13 C ATOM 1337 CD2 PHE B 41 -23.870 1.074 1.564 1.00 6.72 C ATOM 1338 CE1 PHE B 41 -21.904 -0.462 0.370 1.00 8.39 C ATOM 1339 CE2 PHE B 41 -22.720 1.675 1.084 1.00 8.12 C ATOM 1340 CZ PHE B 41 -21.735 0.908 0.478 1.00 7.47 C ATOM 1341 H PHE B 41 -25.637 -1.460 -1.060 1.00 0.00 H ATOM 1342 N HIS B 42 -27.900 0.724 1.218 1.00 6.37 N ATOM 1343 CA HIS B 42 -28.516 1.981 0.813 1.00 7.13 C ATOM 1344 C HIS B 42 -27.508 3.124 0.889 1.00 6.64 C ATOM 1345 O HIS B 42 -26.702 3.200 1.818 1.00 7.65 O ATOM 1346 CB HIS B 42 -29.713 2.283 1.715 1.00 6.98 C ATOM 1347 CG HIS B 42 -30.854 1.337 1.525 1.00 7.37 C ATOM 1348 ND1 HIS B 42 -31.791 1.495 0.529 1.00 9.12 N ATOM 1349 CD2 HIS B 42 -31.201 0.213 2.198 1.00 8.96 C ATOM 1350 CE1 HIS B 42 -32.670 0.510 0.598 1.00 9.30 C ATOM 1351 NE2 HIS B 42 -32.338 -0.279 1.604 1.00 9.45 N ATOM 1352 H HIS B 42 -28.182 0.272 2.111 1.00 0.00 H ATOM 1353 N ASP B 43 -27.568 4.017 -0.099 1.00 6.40 N ATOM 1354 CA ASP B 43 -26.726 5.209 -0.116 1.00 6.61 C ATOM 1355 C ASP B 43 -27.106 6.129 1.041 1.00 6.18 C ATOM 1356 O ASP B 43 -28.287 6.309 1.354 1.00 7.63 O ATOM 1357 CB ASP B 43 -26.915 5.942 -1.453 1.00 6.75 C ATOM 1358 CG ASP B 43 -25.777 6.912 -1.779 1.00 5.99 C ATOM 1359 OD1 ASP B 43 -25.557 7.871 -1.010 1.00 6.21 O ATOM 1360 OD2 ASP B 43 -25.103 6.724 -2.813 1.00 8.93 O ATOM 1361 H ASP B 43 -28.235 3.860 -0.881 1.00 0.00 H ATOM 1362 N ILE B 44 -26.096 6.715 1.687 1.00 6.00 N ATOM 1363 CA ILE B 44 -26.380 7.655 2.764 1.00 6.22 C ATOM 1364 C ILE B 44 -26.921 8.982 2.253 1.00 6.72 C ATOM 1365 O ILE B 44 -27.546 9.730 3.019 1.00 8.17 O ATOM 1366 CB ILE B 44 -25.136 7.830 3.652 1.00 7.24 C ATOM 1367 CG1 ILE B 44 -25.527 8.459 4.992 1.00 9.85 C ATOM 1368 CG2 ILE B 44 -24.089 8.662 2.951 1.00 8.92 C ATOM 1369 CD1 ILE B 44 -24.411 8.494 6.011 1.00 12.32 C ATOM 1370 H ILE B 44 -25.113 6.502 1.424 1.00 0.00 H ATOM 1371 N SER B 45 -26.700 9.303 0.980 1.00 7.16 N ATOM 1372 CA SER B 45 -27.146 10.558 0.383 1.00 7.95 C ATOM 1373 C SER B 45 -28.016 10.219 -0.823 1.00 7.71 C ATOM 1374 O SER B 45 -27.614 10.426 -1.975 1.00 8.08 O ATOM 1375 CB SER B 45 -25.939 11.397 -0.031 1.00 9.44 C ATOM 1376 OG SER B 45 -26.333 12.660 -0.544 1.00 12.53 O ATOM 1377 HG SER B 45 -26.835 13.155 0.151 1.00 0.00 H ATOM 1378 H SER B 45 -26.184 8.626 0.382 1.00 0.00 H ATOM 1379 N PRO B 46 -29.207 9.670 -0.597 1.00 7.50 N ATOM 1380 CA PRO B 46 -29.984 9.140 -1.726 1.00 7.67 C ATOM 1381 C PRO B 46 -30.467 10.235 -2.659 1.00 6.48 C ATOM 1382 O PRO B 46 -30.906 11.304 -2.226 1.00 8.96 O ATOM 1383 CB PRO B 46 -31.163 8.435 -1.049 1.00 8.70 C ATOM 1384 CG PRO B 46 -31.287 9.116 0.281 1.00 9.95 C ATOM 1385 CD PRO B 46 -29.890 9.468 0.693 1.00 8.48 C ATOM 1386 N GLN B 47 -30.405 9.937 -3.955 1.00 6.87 N ATOM 1387 CA GLN B 47 -30.812 10.855 -5.010 1.00 8.13 C ATOM 1388 C GLN B 47 -32.119 10.438 -5.663 1.00 7.32 C ATOM 1389 O GLN B 47 -32.543 11.058 -6.646 1.00 8.54 O ATOM 1390 CB GLN B 47 -29.709 10.960 -6.063 1.00 9.12 C ATOM 1391 CG GLN B 47 -28.384 11.394 -5.492 1.00 10.66 C ATOM 1392 CD GLN B 47 -28.462 12.779 -4.907 1.00 11.14 C ATOM 1393 OE1 GLN B 47 -28.821 13.732 -5.604 1.00 12.58 O ATOM 1394 NE2 GLN B 47 -28.141 12.906 -3.624 1.00 12.01 N ATOM 1395 HE22 GLN B 47 -27.844 12.073 -3.077 1.00 0.00 H ATOM 1396 HE21 GLN B 47 -28.187 13.839 -3.166 1.00 0.00 H ATOM 1397 H GLN B 47 -30.047 9.000 -4.228 1.00 0.00 H ATOM 1398 N ALA B 48 -32.759 9.405 -5.133 1.00 7.82 N ATOM 1399 CA ALA B 48 -34.038 8.904 -5.607 1.00 8.03 C ATOM 1400 C ALA B 48 -34.695 8.188 -4.444 1.00 8.54 C ATOM 1401 O ALA B 48 -34.025 7.880 -3.454 1.00 8.18 O ATOM 1402 CB ALA B 48 -33.847 7.939 -6.790 1.00 8.09 C ATOM 1403 H ALA B 48 -32.317 8.922 -4.325 1.00 0.00 H ATOM 1404 N PRO B 49 -35.999 7.922 -4.518 1.00 8.64 N ATOM 1405 CA PRO B 49 -36.651 7.241 -3.388 1.00 9.54 C ATOM 1406 C PRO B 49 -35.991 5.929 -3.015 1.00 8.28 C ATOM 1407 O PRO B 49 -35.948 5.580 -1.827 1.00 9.79 O ATOM 1408 CB PRO B 49 -38.096 7.072 -3.867 1.00 9.82 C ATOM 1409 CG PRO B 49 -38.297 8.264 -4.752 1.00 10.58 C ATOM 1410 CD PRO B 49 -36.985 8.433 -5.487 1.00 9.83 C ATOM 1411 N THR B 50 -35.457 5.204 -3.994 1.00 8.47 N ATOM 1412 CA THR B 50 -34.571 4.075 -3.754 1.00 8.28 C ATOM 1413 C THR B 50 -33.232 4.386 -4.406 1.00 7.13 C ATOM 1414 O THR B 50 -33.170 4.686 -5.603 1.00 7.40 O ATOM 1415 CB THR B 50 -35.161 2.786 -4.326 1.00 9.14 C ATOM 1416 OG1 THR B 50 -36.375 2.475 -3.631 1.00 10.43 O ATOM 1417 CG2 THR B 50 -34.186 1.638 -4.151 1.00 10.87 C ATOM 1418 HG1 THR B 50 -37.020 3.217 -3.748 1.00 0.00 H ATOM 1419 H THR B 50 -35.683 5.456 -4.977 1.00 0.00 H ATOM 1420 N HIS B 51 -32.163 4.327 -3.618 1.00 6.76 N ATOM 1421 CA HIS B 51 -30.826 4.581 -4.143 1.00 6.37 C ATOM 1422 C HIS B 51 -29.873 3.753 -3.301 1.00 5.75 C ATOM 1423 O HIS B 51 -29.681 4.045 -2.114 1.00 6.37 O ATOM 1424 CB HIS B 51 -30.491 6.067 -4.074 1.00 7.06 C ATOM 1425 CG HIS B 51 -29.135 6.414 -4.608 1.00 6.39 C ATOM 1426 ND1 HIS B 51 -28.664 7.709 -4.628 1.00 7.45 N ATOM 1427 CD2 HIS B 51 -28.147 5.646 -5.128 1.00 6.79 C ATOM 1428 CE1 HIS B 51 -27.445 7.723 -5.136 1.00 7.66 C ATOM 1429 NE2 HIS B 51 -27.105 6.484 -5.445 1.00 7.09 N ATOM 1430 H HIS B 51 -32.282 4.096 -2.611 1.00 0.00 H ATOM 1431 N PHE B 52 -29.316 2.705 -3.899 1.00 6.11 N ATOM 1432 CA PHE B 52 -28.395 1.836 -3.198 1.00 5.96 C ATOM 1433 C PHE B 52 -27.138 1.626 -4.025 1.00 4.86 C ATOM 1434 O PHE B 52 -27.060 2.015 -5.194 1.00 6.02 O ATOM 1435 CB PHE B 52 -29.054 0.518 -2.751 1.00 6.17 C ATOM 1436 CG PHE B 52 -29.509 -0.383 -3.881 1.00 5.74 C ATOM 1437 CD1 PHE B 52 -30.777 -0.258 -4.431 1.00 6.47 C ATOM 1438 CD2 PHE B 52 -28.674 -1.380 -4.368 1.00 6.68 C ATOM 1439 CE1 PHE B 52 -31.206 -1.114 -5.447 1.00 7.43 C ATOM 1440 CE2 PHE B 52 -29.095 -2.231 -5.386 1.00 7.02 C ATOM 1441 CZ PHE B 52 -30.356 -2.098 -5.925 1.00 6.78 C ATOM 1442 H PHE B 52 -29.547 2.505 -4.893 1.00 0.00 H ATOM 1443 N LEU B 53 -26.144 1.024 -3.386 1.00 5.17 N ATOM 1444 CA LEU B 53 -24.858 0.728 -3.990 1.00 5.52 C ATOM 1445 C LEU B 53 -24.613 -0.768 -3.932 1.00 5.25 C ATOM 1446 O LEU B 53 -25.005 -1.433 -2.967 1.00 5.77 O ATOM 1447 CB LEU B 53 -23.717 1.405 -3.218 1.00 5.88 C ATOM 1448 CG LEU B 53 -23.845 2.915 -3.048 1.00 6.98 C ATOM 1449 CD1 LEU B 53 -22.687 3.453 -2.232 1.00 14.80 C ATOM 1450 CD2 LEU B 53 -23.922 3.623 -4.383 1.00 12.03 C ATOM 1451 H LEU B 53 -26.295 0.748 -2.395 1.00 0.00 H ATOM 1452 N VAL B 54 -23.946 -1.291 -4.961 1.00 5.62 N ATOM 1453 CA VAL B 54 -23.392 -2.641 -4.939 1.00 5.36 C ATOM 1454 C VAL B 54 -21.891 -2.508 -5.140 1.00 5.48 C ATOM 1455 O VAL B 54 -21.445 -1.905 -6.124 1.00 5.97 O ATOM 1456 CB VAL B 54 -24.009 -3.560 -6.004 1.00 5.82 C ATOM 1457 CG1 VAL B 54 -23.571 -4.990 -5.750 1.00 7.88 C ATOM 1458 CG2 VAL B 54 -25.525 -3.456 -6.012 1.00 7.27 C ATOM 1459 H VAL B 54 -23.815 -0.713 -5.815 1.00 0.00 H ATOM 1460 N ILE B 55 -21.114 -3.045 -4.206 1.00 5.16 N ATOM 1461 CA ILE B 55 -19.668 -2.863 -4.237 1.00 5.80 C ATOM 1462 C ILE B 55 -18.977 -4.214 -4.119 1.00 5.81 C ATOM 1463 O ILE B 55 -19.456 -5.095 -3.390 1.00 6.13 O ATOM 1464 CB ILE B 55 -19.183 -1.862 -3.171 1.00 6.36 C ATOM 1465 CG1 ILE B 55 -19.147 -2.466 -1.766 1.00 7.76 C ATOM 1466 CG2 ILE B 55 -20.038 -0.597 -3.194 1.00 8.16 C ATOM 1467 CD1 ILE B 55 -18.581 -1.497 -0.763 1.00 9.64 C ATOM 1468 H ILE B 55 -21.544 -3.604 -3.441 1.00 0.00 H ATOM 1469 N PRO B 56 -17.856 -4.419 -4.800 1.00 5.39 N ATOM 1470 CA PRO B 56 -17.085 -5.645 -4.589 1.00 5.57 C ATOM 1471 C PRO B 56 -16.357 -5.570 -3.260 1.00 6.02 C ATOM 1472 O PRO B 56 -16.002 -4.493 -2.777 1.00 6.38 O ATOM 1473 CB PRO B 56 -16.085 -5.624 -5.748 1.00 6.54 C ATOM 1474 CG PRO B 56 -15.862 -4.158 -5.994 1.00 7.31 C ATOM 1475 CD PRO B 56 -17.190 -3.494 -5.733 1.00 5.86 C ATOM 1476 N LYS B 57 -16.144 -6.733 -2.650 1.00 5.88 N ATOM 1477 CA LYS B 57 -15.282 -6.774 -1.473 1.00 6.85 C ATOM 1478 C LYS B 57 -13.818 -6.558 -1.840 1.00 7.72 C ATOM 1479 O LYS B 57 -13.061 -5.983 -1.050 1.00 9.93 O ATOM 1480 CB LYS B 57 -15.498 -8.075 -0.706 1.00 7.47 C ATOM 1481 CG LYS B 57 -16.859 -8.092 -0.056 1.00 7.78 C ATOM 1482 CD LYS B 57 -17.141 -9.354 0.734 1.00 8.52 C ATOM 1483 CE LYS B 57 -18.406 -9.161 1.562 1.00 8.05 C ATOM 1484 NZ LYS B 57 -18.699 -10.358 2.384 1.00 8.70 N ATOM 1485 HZ1 LYS B 57 -18.833 -11.180 1.761 1.00 0.00 H ATOM 1486 HZ2 LYS B 57 -17.904 -10.536 3.030 1.00 0.00 H ATOM 1487 HZ3 LYS B 57 -19.566 -10.195 2.935 1.00 0.00 H ATOM 1488 H LYS B 57 -16.587 -7.603 -3.008 1.00 0.00 H ATOM 1489 N LYS B 58 -13.416 -6.974 -3.036 1.00 8.77 N ATOM 1490 CA LYS B 58 -12.077 -6.686 -3.530 1.00 10.37 C ATOM 1491 C LYS B 58 -11.920 -5.181 -3.725 1.00 8.56 C ATOM 1492 O LYS B 58 -12.791 -4.527 -4.309 1.00 9.67 O ATOM 1493 CB LYS B 58 -11.870 -7.412 -4.858 1.00 10.26 C ATOM 1494 CG LYS B 58 -10.488 -7.227 -5.462 1.00 11.23 C ATOM 1495 CD LYS B 58 -10.337 -8.007 -6.755 1.00 14.42 C ATOM 1496 CE LYS B 58 -8.948 -7.817 -7.350 1.00 16.19 C ATOM 1497 NZ LYS B 58 -8.775 -8.605 -8.601 1.00 18.66 N ATOM 1498 HZ1 LYS B 58 -8.909 -9.615 -8.394 1.00 0.00 H ATOM 1499 HZ2 LYS B 58 -9.478 -8.298 -9.303 1.00 0.00 H ATOM 1500 HZ3 LYS B 58 -7.818 -8.451 -8.977 1.00 0.00 H ATOM 1501 H LYS B 58 -14.072 -7.517 -3.633 1.00 0.00 H ATOM 1502 N HIS B 59 -10.821 -4.615 -3.226 1.00 8.89 N ATOM 1503 CA HIS B 59 -10.617 -3.171 -3.365 1.00 9.64 C ATOM 1504 C HIS B 59 -10.036 -2.846 -4.733 1.00 10.75 C ATOM 1505 O HIS B 59 -8.826 -2.697 -4.910 1.00 15.69 O ATOM 1506 CB HIS B 59 -9.760 -2.584 -2.251 1.00 10.79 C ATOM 1507 CG HIS B 59 -9.722 -1.086 -2.278 1.00 16.54 C ATOM 1508 ND1 HIS B 59 -8.911 -0.336 -1.454 1.00 26.92 N ATOM 1509 CD2 HIS B 59 -10.414 -0.198 -3.033 1.00 18.95 C ATOM 1510 CE1 HIS B 59 -9.099 0.947 -1.706 1.00 26.04 C ATOM 1511 NE2 HIS B 59 -10.006 1.058 -2.661 1.00 15.92 N ATOM 1512 H HIS B 59 -10.110 -5.197 -2.739 1.00 0.00 H ATOM 1513 N ILE B 60 -10.924 -2.715 -5.705 1.00 9.48 N ATOM 1514 CA ILE B 60 -10.615 -2.118 -6.997 1.00 8.46 C ATOM 1515 C ILE B 60 -10.928 -0.634 -6.855 1.00 8.56 C ATOM 1516 O ILE B 60 -12.059 -0.266 -6.523 1.00 8.97 O ATOM 1517 CB ILE B 60 -11.479 -2.753 -8.095 1.00 9.08 C ATOM 1518 CG1 ILE B 60 -11.334 -4.277 -8.080 1.00 11.74 C ATOM 1519 CG2 ILE B 60 -11.133 -2.164 -9.445 1.00 9.90 C ATOM 1520 CD1 ILE B 60 -12.340 -4.990 -8.959 1.00 14.03 C ATOM 1521 H ILE B 60 -11.892 -3.056 -5.538 1.00 0.00 H ATOM 1522 N SER B 61 -9.931 0.224 -7.073 1.00 7.48 N ATOM 1523 CA SER B 61 -10.115 1.638 -6.743 1.00 8.94 C ATOM 1524 C SER B 61 -11.062 2.356 -7.701 1.00 7.38 C ATOM 1525 O SER B 61 -11.756 3.296 -7.293 1.00 8.02 O ATOM 1526 CB SER B 61 -8.770 2.356 -6.706 1.00 12.00 C ATOM 1527 OG SER B 61 -8.152 2.331 -7.980 1.00 13.38 O ATOM 1528 HG SER B 61 -7.282 2.802 -7.933 1.00 0.00 H ATOM 1529 H SER B 61 -9.031 -0.108 -7.474 1.00 0.00 H ATOM 1530 N GLN B 62 -11.088 1.954 -8.967 1.00 7.84 N ATOM 1531 CA GLN B 62 -11.887 2.631 -9.977 1.00 8.01 C ATOM 1532 C GLN B 62 -11.964 1.719 -11.185 1.00 7.74 C ATOM 1533 O GLN B 62 -11.094 0.865 -11.384 1.00 7.78 O ATOM 1534 CB GLN B 62 -11.287 3.981 -10.364 1.00 11.90 C ATOM 1535 CG GLN B 62 -9.884 3.882 -10.872 1.00 11.87 C ATOM 1536 CD GLN B 62 -9.045 5.048 -10.417 1.00 14.57 C ATOM 1537 OE1 GLN B 62 -8.335 4.954 -9.413 1.00 15.42 O ATOM 1538 NE2 GLN B 62 -9.120 6.160 -11.143 1.00 14.31 N ATOM 1539 HE22 GLN B 62 -9.733 6.193 -11.983 1.00 0.00 H ATOM 1540 HE21 GLN B 62 -8.566 6.997 -10.871 1.00 0.00 H ATOM 1541 H GLN B 62 -10.519 1.129 -9.245 1.00 0.00 H ATOM 1542 N ILE B 63 -13.023 1.893 -11.974 1.00 6.98 N ATOM 1543 CA ILE B 63 -13.251 0.987 -13.097 1.00 8.00 C ATOM 1544 C ILE B 63 -12.113 1.056 -14.105 1.00 6.63 C ATOM 1545 O ILE B 63 -11.813 0.063 -14.777 1.00 8.32 O ATOM 1546 CB ILE B 63 -14.642 1.226 -13.726 1.00 8.02 C ATOM 1547 CG1 ILE B 63 -15.028 0.077 -14.659 1.00 11.66 C ATOM 1548 CG2 ILE B 63 -14.698 2.555 -14.468 1.00 8.94 C ATOM 1549 CD1 ILE B 63 -15.186 -1.249 -13.962 1.00 15.11 C ATOM 1550 H ILE B 63 -13.686 2.673 -11.791 1.00 0.00 H ATOM 1551 N SER B 64 -11.438 2.202 -14.207 1.00 7.38 N ATOM 1552 CA SER B 64 -10.372 2.334 -15.197 1.00 7.85 C ATOM 1553 C SER B 64 -9.196 1.402 -14.926 1.00 8.71 C ATOM 1554 O SER B 64 -8.428 1.117 -15.852 1.00 10.11 O ATOM 1555 CB SER B 64 -9.888 3.782 -15.298 1.00 8.41 C ATOM 1556 OG SER B 64 -9.282 4.200 -14.089 1.00 8.73 O ATOM 1557 HG SER B 64 -8.978 5.138 -14.180 1.00 0.00 H ATOM 1558 H SER B 64 -11.670 3.000 -13.582 1.00 0.00 H ATOM 1559 N VAL B 65 -9.037 0.907 -13.698 1.00 8.87 N ATOM 1560 CA VAL B 65 -7.938 0.007 -13.367 1.00 9.20 C ATOM 1561 C VAL B 65 -8.404 -1.431 -13.189 1.00 9.04 C ATOM 1562 O VAL B 65 -7.605 -2.291 -12.802 1.00 11.95 O ATOM 1563 CB VAL B 65 -7.104 0.494 -12.168 1.00 13.15 C ATOM 1564 CG1 VAL B 65 -6.625 1.912 -12.401 1.00 15.90 C ATOM 1565 CG2 VAL B 65 -7.896 0.388 -10.871 1.00 15.84 C ATOM 1566 H VAL B 65 -9.716 1.170 -12.955 1.00 0.00 H ATOM 1567 N ALA B 66 -9.668 -1.726 -13.469 1.00 9.75 N ATOM 1568 CA ALA B 66 -10.137 -3.098 -13.351 1.00 9.65 C ATOM 1569 C ALA B 66 -9.399 -3.994 -14.335 1.00 12.02 C ATOM 1570 O ALA B 66 -9.126 -3.602 -15.472 1.00 12.97 O ATOM 1571 CB ALA B 66 -11.642 -3.168 -13.601 1.00 11.01 C ATOM 1572 H ALA B 66 -10.322 -0.977 -13.772 1.00 0.00 H ATOM 1573 N GLU B 67 -9.063 -5.198 -13.879 1.00 17.17 N ATOM 1574 CA GLU B 67 -8.336 -6.163 -14.686 1.00 19.69 C ATOM 1575 C GLU B 67 -9.310 -7.063 -15.436 1.00 18.09 C ATOM 1576 O GLU B 67 -10.479 -7.201 -15.069 1.00 17.88 O ATOM 1577 CB GLU B 67 -7.423 -7.016 -13.806 1.00 23.08 C ATOM 1578 CG GLU B 67 -6.575 -6.222 -12.834 1.00 27.73 C ATOM 1579 CD GLU B 67 -5.714 -7.112 -11.964 1.00 38.99 C ATOM 1580 OE1 GLU B 67 -4.680 -7.607 -12.460 1.00 47.59 O ATOM 1581 OE2 GLU B 67 -6.076 -7.322 -10.787 1.00 41.04 O ATOM 1582 H GLU B 67 -9.331 -5.458 -12.908 1.00 0.00 H ATOM 1583 N ASP B 68 -8.801 -7.692 -16.499 1.00 18.09 N ATOM 1584 CA ASP B 68 -9.636 -8.569 -17.316 1.00 16.79 C ATOM 1585 C ASP B 68 -10.244 -9.694 -16.487 1.00 15.08 C ATOM 1586 O ASP B 68 -11.394 -10.089 -16.714 1.00 16.51 O ATOM 1587 CB ASP B 68 -8.818 -9.144 -18.473 1.00 20.62 C ATOM 1588 CG ASP B 68 -8.493 -8.109 -19.532 1.00 28.41 C ATOM 1589 OD1 ASP B 68 -8.803 -6.919 -19.319 1.00 23.10 O ATOM 1590 OD2 ASP B 68 -7.922 -8.487 -20.578 1.00 33.43 O ATOM 1591 H ASP B 68 -7.800 -7.556 -16.747 1.00 0.00 H ATOM 1592 N ASP B 69 -9.486 -10.222 -15.526 1.00 16.63 N ATOM 1593 CA ASP B 69 -9.971 -11.304 -14.680 1.00 16.32 C ATOM 1594 C ASP B 69 -11.123 -10.883 -13.776 1.00 15.81 C ATOM 1595 O ASP B 69 -11.784 -11.758 -13.206 1.00 15.08 O ATOM 1596 CB ASP B 69 -8.831 -11.864 -13.826 1.00 22.20 C ATOM 1597 CG ASP B 69 -7.873 -12.732 -14.623 1.00 32.36 C ATOM 1598 OD1 ASP B 69 -8.227 -13.136 -15.752 1.00 34.15 O ATOM 1599 OD2 ASP B 69 -6.768 -13.016 -14.116 1.00 34.95 O ATOM 1600 H ASP B 69 -8.525 -9.853 -15.377 1.00 0.00 H ATOM 1601 N ASP B 70 -11.371 -9.578 -13.628 1.00 13.30 N ATOM 1602 CA ASP B 70 -12.475 -9.065 -12.822 1.00 12.18 C ATOM 1603 C ASP B 70 -13.791 -9.015 -13.574 1.00 10.04 C ATOM 1604 O ASP B 70 -14.786 -8.557 -13.000 1.00 9.50 O ATOM 1605 CB ASP B 70 -12.192 -7.629 -12.373 1.00 18.86 C ATOM 1606 CG ASP B 70 -10.950 -7.508 -11.535 1.00 19.23 C ATOM 1607 OD1 ASP B 70 -10.802 -8.272 -10.559 1.00 15.68 O ATOM 1608 OD2 ASP B 70 -10.128 -6.624 -11.847 1.00 20.76 O ATOM 1609 H ASP B 70 -10.749 -8.897 -14.109 1.00 0.00 H ATOM 1610 N GLU B 71 -13.807 -9.449 -14.832 1.00 11.26 N ATOM 1611 CA GLU B 71 -14.990 -9.295 -15.665 1.00 11.80 C ATOM 1612 C GLU B 71 -16.229 -9.871 -15.001 1.00 9.59 C ATOM 1613 O GLU B 71 -17.252 -9.190 -14.868 1.00 10.16 O ATOM 1614 CB GLU B 71 -14.746 -9.988 -16.998 1.00 15.38 C ATOM 1615 CG GLU B 71 -15.139 -9.154 -18.160 1.00 15.98 C ATOM 1616 CD GLU B 71 -14.534 -9.643 -19.443 1.00 11.49 C ATOM 1617 OE1 GLU B 71 -14.687 -10.853 -19.744 1.00 11.71 O ATOM 1618 OE2 GLU B 71 -13.891 -8.813 -20.122 1.00 10.08 O ATOM 1619 H GLU B 71 -12.960 -9.906 -15.226 1.00 0.00 H ATOM 1620 N SER B 72 -16.166 -11.137 -14.596 1.00 8.67 N ATOM 1621 CA SER B 72 -17.366 -11.770 -14.074 1.00 10.25 C ATOM 1622 C SER B 72 -17.774 -11.186 -12.727 1.00 7.00 C ATOM 1623 O SER B 72 -18.968 -11.116 -12.438 1.00 8.43 O ATOM 1624 CB SER B 72 -17.236 -13.289 -14.063 1.00 13.00 C ATOM 1625 OG SER B 72 -16.356 -13.713 -13.054 1.00 12.24 O ATOM 1626 HG SER B 72 -15.461 -13.319 -13.211 1.00 0.00 H ATOM 1627 H SER B 72 -15.272 -11.665 -14.652 1.00 0.00 H ATOM 1628 N LEU B 73 -16.804 -10.726 -11.928 1.00 6.97 N ATOM 1629 CA LEU B 73 -17.122 -10.027 -10.684 1.00 7.17 C ATOM 1630 C LEU B 73 -17.900 -8.745 -10.958 1.00 6.39 C ATOM 1631 O LEU B 73 -18.885 -8.446 -10.272 1.00 6.79 O ATOM 1632 CB LEU B 73 -15.835 -9.712 -9.926 1.00 7.27 C ATOM 1633 CG LEU B 73 -15.993 -8.885 -8.650 1.00 7.16 C ATOM 1634 CD1 LEU B 73 -16.823 -9.643 -7.609 1.00 9.31 C ATOM 1635 CD2 LEU B 73 -14.630 -8.500 -8.091 1.00 9.62 C ATOM 1636 H LEU B 73 -15.809 -10.868 -12.196 1.00 0.00 H ATOM 1637 N LEU B 74 -17.465 -7.968 -11.956 1.00 5.94 N ATOM 1638 CA LEU B 74 -18.195 -6.757 -12.320 1.00 6.65 C ATOM 1639 C LEU B 74 -19.610 -7.087 -12.773 1.00 6.00 C ATOM 1640 O LEU B 74 -20.570 -6.405 -12.387 1.00 6.76 O ATOM 1641 CB LEU B 74 -17.442 -6.001 -13.414 1.00 7.66 C ATOM 1642 CG LEU B 74 -16.102 -5.412 -12.986 1.00 7.62 C ATOM 1643 CD1 LEU B 74 -15.372 -4.859 -14.208 1.00 11.56 C ATOM 1644 CD2 LEU B 74 -16.261 -4.334 -11.913 1.00 9.99 C ATOM 1645 H LEU B 74 -16.602 -8.228 -12.475 1.00 0.00 H ATOM 1646 N GLY B 75 -19.758 -8.124 -13.603 1.00 6.46 N ATOM 1647 CA GLY B 75 -21.087 -8.560 -13.993 1.00 7.24 C ATOM 1648 C GLY B 75 -21.911 -9.027 -12.809 1.00 5.41 C ATOM 1649 O GLY B 75 -23.124 -8.825 -12.770 1.00 6.70 O ATOM 1650 H GLY B 75 -18.920 -8.619 -13.970 1.00 0.00 H ATOM 1651 N HIS B 76 -21.257 -9.675 -11.837 1.00 5.85 N ATOM 1652 CA HIS B 76 -21.937 -10.084 -10.611 1.00 5.95 C ATOM 1653 C HIS B 76 -22.531 -8.888 -9.874 1.00 6.09 C ATOM 1654 O HIS B 76 -23.641 -8.973 -9.344 1.00 6.38 O ATOM 1655 CB HIS B 76 -20.966 -10.855 -9.715 1.00 6.90 C ATOM 1656 CG HIS B 76 -21.604 -11.469 -8.510 1.00 5.99 C ATOM 1657 ND1 HIS B 76 -22.442 -12.559 -8.592 1.00 7.13 N ATOM 1658 CD2 HIS B 76 -21.526 -11.152 -7.196 1.00 5.99 C ATOM 1659 CE1 HIS B 76 -22.839 -12.896 -7.376 1.00 7.03 C ATOM 1660 NE2 HIS B 76 -22.300 -12.058 -6.510 1.00 6.27 N ATOM 1661 H HIS B 76 -20.247 -9.891 -11.957 1.00 0.00 H ATOM 1662 N LEU B 77 -21.820 -7.759 -9.844 1.00 5.41 N ATOM 1663 CA LEU B 77 -22.395 -6.568 -9.226 1.00 6.12 C ATOM 1664 C LEU B 77 -23.695 -6.170 -9.911 1.00 5.50 C ATOM 1665 O LEU B 77 -24.654 -5.755 -9.248 1.00 6.06 O ATOM 1666 CB LEU B 77 -21.415 -5.398 -9.279 1.00 6.70 C ATOM 1667 CG LEU B 77 -20.011 -5.618 -8.725 1.00 6.60 C ATOM 1668 CD1 LEU B 77 -19.180 -4.363 -8.916 1.00 9.50 C ATOM 1669 CD2 LEU B 77 -20.040 -6.011 -7.261 1.00 8.99 C ATOM 1670 H LEU B 77 -20.866 -7.728 -10.257 1.00 0.00 H ATOM 1671 N MET B 78 -23.741 -6.288 -11.240 1.00 5.76 N ATOM 1672 CA MET B 78 -24.930 -5.898 -11.988 1.00 6.69 C ATOM 1673 C MET B 78 -26.076 -6.880 -11.770 1.00 6.11 C ATOM 1674 O MET B 78 -27.236 -6.468 -11.655 1.00 6.72 O ATOM 1675 CB MET B 78 -24.586 -5.775 -13.471 1.00 6.94 C ATOM 1676 CG MET B 78 -23.506 -4.744 -13.760 1.00 9.52 C ATOM 1677 SD MET B 78 -23.370 -4.404 -15.517 1.00 11.21 S ATOM 1678 CE MET B 78 -25.102 -4.365 -15.933 1.00 3.07 C ATOM 1679 H MET B 78 -22.916 -6.664 -11.750 1.00 0.00 H ATOM 1680 N ILE B 79 -25.774 -8.182 -11.710 1.00 5.96 N ATOM 1681 CA ILE B 79 -26.814 -9.177 -11.457 1.00 6.53 C ATOM 1682 C ILE B 79 -27.363 -9.026 -10.042 1.00 6.69 C ATOM 1683 O ILE B 79 -28.579 -9.048 -9.831 1.00 7.15 O ATOM 1684 CB ILE B 79 -26.304 -10.603 -11.740 1.00 6.89 C ATOM 1685 CG1 ILE B 79 -26.055 -10.817 -13.239 1.00 8.14 C ATOM 1686 CG2 ILE B 79 -27.287 -11.648 -11.204 1.00 8.75 C ATOM 1687 CD1 ILE B 79 -27.282 -10.645 -14.122 1.00 9.14 C ATOM 1688 H ILE B 79 -24.790 -8.489 -11.845 1.00 0.00 H ATOM 1689 N VAL B 80 -26.478 -8.848 -9.054 1.00 6.51 N ATOM 1690 CA VAL B 80 -26.927 -8.557 -7.693 1.00 6.53 C ATOM 1691 C VAL B 80 -27.760 -7.281 -7.666 1.00 7.05 C ATOM 1692 O VAL B 80 -28.825 -7.229 -7.036 1.00 7.31 O ATOM 1693 CB VAL B 80 -25.727 -8.503 -6.727 1.00 6.44 C ATOM 1694 CG1 VAL B 80 -26.125 -7.908 -5.373 1.00 6.65 C ATOM 1695 CG2 VAL B 80 -25.152 -9.897 -6.548 1.00 7.63 C ATOM 1696 H VAL B 80 -25.460 -8.917 -9.256 1.00 0.00 H ATOM 1697 N GLY B 81 -27.310 -6.248 -8.378 1.00 6.61 N ATOM 1698 CA GLY B 81 -28.065 -5.010 -8.417 1.00 6.72 C ATOM 1699 C GLY B 81 -29.463 -5.185 -8.972 1.00 6.49 C ATOM 1700 O GLY B 81 -30.428 -4.653 -8.420 1.00 7.19 O ATOM 1701 H GLY B 81 -26.418 -6.330 -8.906 1.00 0.00 H ATOM 1702 N LYS B 82 -29.594 -5.929 -10.075 1.00 6.87 N ATOM 1703 CA LYS B 82 -30.923 -6.098 -10.655 1.00 7.44 C ATOM 1704 C LYS B 82 -31.815 -6.955 -9.761 1.00 7.71 C ATOM 1705 O LYS B 82 -33.015 -6.679 -9.640 1.00 8.65 O ATOM 1706 CB LYS B 82 -30.849 -6.561 -12.115 1.00 12.61 C ATOM 1707 CG LYS B 82 -30.495 -8.003 -12.309 1.00 12.73 C ATOM 1708 CD LYS B 82 -31.741 -8.825 -12.516 1.00 13.04 C ATOM 1709 CE LYS B 82 -31.399 -10.209 -13.027 1.00 19.57 C ATOM 1710 NZ LYS B 82 -32.595 -11.098 -13.069 1.00 22.40 N ATOM 1711 HZ1 LYS B 82 -32.989 -11.192 -12.111 1.00 0.00 H ATOM 1712 HZ2 LYS B 82 -33.311 -10.685 -13.701 1.00 0.00 H ATOM 1713 HZ3 LYS B 82 -32.317 -12.035 -13.424 1.00 0.00 H ATOM 1714 H LYS B 82 -28.764 -6.379 -10.512 1.00 0.00 H ATOM 1715 N LYS B 83 -31.245 -7.953 -9.083 1.00 8.64 N ATOM 1716 CA LYS B 83 -32.042 -8.751 -8.157 1.00 8.99 C ATOM 1717 C LYS B 83 -32.483 -7.925 -6.952 1.00 9.36 C ATOM 1718 O LYS B 83 -33.642 -8.010 -6.528 1.00 10.78 O ATOM 1719 CB LYS B 83 -31.268 -9.996 -7.726 1.00 9.78 C ATOM 1720 CG LYS B 83 -31.122 -11.013 -8.846 1.00 10.65 C ATOM 1721 CD LYS B 83 -30.363 -12.250 -8.416 1.00 12.20 C ATOM 1722 CE LYS B 83 -30.292 -13.238 -9.569 1.00 13.36 C ATOM 1723 NZ LYS B 83 -29.538 -14.470 -9.207 1.00 17.05 N ATOM 1724 HZ1 LYS B 83 -28.566 -14.214 -8.939 1.00 0.00 H ATOM 1725 HZ2 LYS B 83 -30.007 -14.939 -8.406 1.00 0.00 H ATOM 1726 HZ3 LYS B 83 -29.516 -15.114 -10.023 1.00 0.00 H ATOM 1727 H LYS B 83 -30.235 -8.162 -9.214 1.00 0.00 H ATOM 1728 N CYS B 84 -31.580 -7.111 -6.392 1.00 8.25 N ATOM 1729 CA CYS B 84 -31.960 -6.234 -5.287 1.00 8.58 C ATOM 1730 C CYS B 84 -33.015 -5.224 -5.717 1.00 8.88 C ATOM 1731 O CYS B 84 -33.932 -4.912 -4.947 1.00 9.11 O ATOM 1732 CB CYS B 84 -30.734 -5.510 -4.732 1.00 8.45 C ATOM 1733 SG CYS B 84 -29.584 -6.570 -3.823 1.00 9.52 S ATOM 1734 H CYS B 84 -30.602 -7.103 -6.746 1.00 0.00 H ATOM 1735 N ALA B 85 -32.898 -4.687 -6.936 1.00 7.87 N ATOM 1736 CA ALA B 85 -33.892 -3.731 -7.415 1.00 8.73 C ATOM 1737 C ALA B 85 -35.279 -4.359 -7.466 1.00 10.12 C ATOM 1738 O ALA B 85 -36.269 -3.735 -7.065 1.00 11.47 O ATOM 1739 CB ALA B 85 -33.495 -3.202 -8.791 1.00 9.02 C ATOM 1740 H ALA B 85 -32.097 -4.951 -7.544 1.00 0.00 H ATOM 1741 N ALA B 86 -35.372 -5.593 -7.969 1.00 10.11 N ATOM 1742 CA ALA B 86 -36.657 -6.283 -7.990 1.00 11.51 C ATOM 1743 C ALA B 86 -37.186 -6.491 -6.580 1.00 12.34 C ATOM 1744 O ALA B 86 -38.374 -6.268 -6.314 1.00 13.52 O ATOM 1745 CB ALA B 86 -36.522 -7.623 -8.713 1.00 13.38 C ATOM 1746 H ALA B 86 -34.525 -6.064 -8.347 1.00 0.00 H ATOM 1747 N ASP B 87 -36.312 -6.906 -5.659 1.00 10.85 N ATOM 1748 CA ASP B 87 -36.731 -7.146 -4.282 1.00 13.55 C ATOM 1749 C ASP B 87 -37.196 -5.866 -3.605 1.00 12.09 C ATOM 1750 O ASP B 87 -38.052 -5.912 -2.712 1.00 15.26 O ATOM 1751 CB ASP B 87 -35.583 -7.772 -3.487 1.00 15.08 C ATOM 1752 CG ASP B 87 -35.300 -9.211 -3.886 1.00 24.36 C ATOM 1753 OD1 ASP B 87 -36.093 -9.797 -4.652 1.00 23.56 O ATOM 1754 OD2 ASP B 87 -34.279 -9.763 -3.420 1.00 26.84 O ATOM 1755 H ASP B 87 -35.319 -7.060 -5.927 1.00 0.00 H ATOM 1756 N LEU B 88 -36.645 -4.722 -4.003 1.00 11.15 N ATOM 1757 CA LEU B 88 -37.029 -3.432 -3.450 1.00 11.31 C ATOM 1758 C LEU B 88 -38.207 -2.803 -4.182 1.00 12.77 C ATOM 1759 O LEU B 88 -38.543 -1.644 -3.913 1.00 14.89 O ATOM 1760 CB LEU B 88 -35.827 -2.486 -3.423 1.00 10.79 C ATOM 1761 CG LEU B 88 -34.756 -2.854 -2.391 1.00 11.31 C ATOM 1762 CD1 LEU B 88 -33.455 -2.119 -2.672 1.00 13.63 C ATOM 1763 CD2 LEU B 88 -35.240 -2.546 -0.984 1.00 16.34 C ATOM 1764 H LEU B 88 -35.911 -4.751 -4.739 1.00 0.00 H ATOM 1765 N GLY B 89 -38.836 -3.538 -5.098 1.00 12.09 N ATOM 1766 CA GLY B 89 -40.079 -3.099 -5.706 1.00 13.25 C ATOM 1767 C GLY B 89 -39.956 -2.163 -6.886 1.00 11.24 C ATOM 1768 O GLY B 89 -40.935 -1.492 -7.227 1.00 13.03 O ATOM 1769 H GLY B 89 -38.426 -4.450 -5.385 1.00 0.00 H ATOM 1770 N LEU B 90 -38.794 -2.105 -7.540 1.00 11.20 N ATOM 1771 CA LEU B 90 -38.569 -1.179 -8.652 1.00 11.26 C ATOM 1772 C LEU B 90 -39.070 -1.763 -9.978 1.00 11.34 C ATOM 1773 O LEU B 90 -38.329 -1.923 -10.951 1.00 13.90 O ATOM 1774 CB LEU B 90 -37.097 -0.794 -8.721 1.00 10.01 C ATOM 1775 CG LEU B 90 -36.514 -0.180 -7.449 1.00 9.08 C ATOM 1776 CD1 LEU B 90 -35.095 0.300 -7.707 1.00 10.05 C ATOM 1777 CD2 LEU B 90 -37.393 0.954 -6.924 1.00 12.76 C ATOM 1778 H LEU B 90 -38.022 -2.739 -7.250 1.00 0.00 H ATOM 1779 N ASN B 91 -40.374 -2.054 -10.011 1.00 11.44 N ATOM 1780 CA ASN B 91 -40.987 -2.701 -11.166 1.00 12.40 C ATOM 1781 C ASN B 91 -41.176 -1.764 -12.352 1.00 14.11 C ATOM 1782 O ASN B 91 -41.425 -2.243 -13.464 1.00 15.25 O ATOM 1783 CB ASN B 91 -42.332 -3.314 -10.768 1.00 14.84 C ATOM 1784 CG ASN B 91 -43.381 -2.263 -10.488 1.00 19.50 C ATOM 1785 OD1 ASN B 91 -43.286 -1.526 -9.510 1.00 25.11 O ATOM 1786 ND2 ASN B 91 -44.386 -2.182 -11.352 1.00 33.22 N ATOM 1787 HD22 ASN B 91 -44.425 -2.828 -12.166 1.00 0.00 H ATOM 1788 HD21 ASN B 91 -45.134 -1.473 -11.214 1.00 0.00 H ATOM 1789 H ASN B 91 -40.967 -1.813 -9.192 1.00 0.00 H ATOM 1790 N LYS B 92 -41.079 -0.454 -12.151 1.00 11.41 N ATOM 1791 CA LYS B 92 -41.171 0.498 -13.248 1.00 11.73 C ATOM 1792 C LYS B 92 -39.814 0.838 -13.848 1.00 10.10 C ATOM 1793 O LYS B 92 -39.758 1.593 -14.823 1.00 11.77 O ATOM 1794 CB LYS B 92 -41.878 1.779 -12.796 1.00 14.60 C ATOM 1795 CG LYS B 92 -43.347 1.594 -12.455 1.00 17.50 C ATOM 1796 CD LYS B 92 -44.021 2.935 -12.209 1.00 24.96 C ATOM 1797 CE LYS B 92 -43.932 3.825 -13.438 1.00 27.26 C ATOM 1798 NZ LYS B 92 -44.597 5.141 -13.232 1.00 33.31 N ATOM 1799 HZ1 LYS B 92 -45.603 4.990 -13.015 1.00 0.00 H ATOM 1800 HZ2 LYS B 92 -44.142 5.638 -12.440 1.00 0.00 H ATOM 1801 HZ3 LYS B 92 -44.509 5.711 -14.097 1.00 0.00 H ATOM 1802 H LYS B 92 -40.933 -0.100 -11.184 1.00 0.00 H ATOM 1803 N GLY B 93 -38.733 0.315 -13.291 1.00 9.44 N ATOM 1804 CA GLY B 93 -37.406 0.507 -13.839 1.00 10.77 C ATOM 1805 C GLY B 93 -36.478 1.226 -12.881 1.00 7.82 C ATOM 1806 O GLY B 93 -36.828 1.554 -11.748 1.00 8.89 O ATOM 1807 H GLY B 93 -38.841 -0.255 -12.428 1.00 0.00 H ATOM 1808 N TYR B 94 -35.258 1.453 -13.366 1.00 7.67 N ATOM 1809 CA TYR B 94 -34.199 2.026 -12.547 1.00 7.30 C ATOM 1810 C TYR B 94 -33.020 2.356 -13.449 1.00 6.11 C ATOM 1811 O TYR B 94 -33.008 2.027 -14.639 1.00 6.48 O ATOM 1812 CB TYR B 94 -33.769 1.065 -11.432 1.00 7.79 C ATOM 1813 CG TYR B 94 -33.540 -0.362 -11.882 1.00 7.76 C ATOM 1814 CD1 TYR B 94 -32.316 -0.763 -12.402 1.00 8.18 C ATOM 1815 CD2 TYR B 94 -34.549 -1.308 -11.774 1.00 8.56 C ATOM 1816 CE1 TYR B 94 -32.107 -2.070 -12.806 1.00 8.33 C ATOM 1817 CE2 TYR B 94 -34.349 -2.613 -12.175 1.00 9.10 C ATOM 1818 CZ TYR B 94 -33.127 -2.991 -12.688 1.00 8.56 C ATOM 1819 OH TYR B 94 -32.914 -4.296 -13.088 1.00 9.86 O ATOM 1820 HH TYR B 94 -33.046 -4.902 -12.316 1.00 0.00 H ATOM 1821 H TYR B 94 -35.056 1.214 -14.358 1.00 0.00 H ATOM 1822 N ARG B 95 -32.029 3.024 -12.866 1.00 5.92 N ATOM 1823 CA ARG B 95 -30.806 3.387 -13.570 1.00 5.69 C ATOM 1824 C ARG B 95 -29.605 2.904 -12.777 1.00 4.67 C ATOM 1825 O ARG B 95 -29.552 3.089 -11.555 1.00 5.75 O ATOM 1826 CB ARG B 95 -30.726 4.900 -13.759 1.00 6.65 C ATOM 1827 CG ARG B 95 -29.431 5.376 -14.411 1.00 6.44 C ATOM 1828 CD ARG B 95 -29.538 6.809 -14.895 1.00 6.79 C ATOM 1829 NE ARG B 95 -30.482 6.892 -16.004 1.00 6.29 N ATOM 1830 CZ ARG B 95 -31.087 8.001 -16.412 1.00 5.04 C ATOM 1831 NH1 ARG B 95 -30.847 9.160 -15.822 1.00 6.32 N ATOM 1832 NH2 ARG B 95 -31.934 7.937 -17.423 1.00 6.53 N ATOM 1833 HE ARG B 95 -30.698 6.013 -16.516 1.00 0.00 H ATOM 1834 HH12 ARG B 95 -31.328 10.021 -16.152 1.00 0.00 H ATOM 1835 HH11 ARG B 95 -30.177 9.210 -15.028 1.00 0.00 H ATOM 1836 HH22 ARG B 95 -32.415 8.798 -17.753 1.00 0.00 H ATOM 1837 HH21 ARG B 95 -32.120 7.026 -17.889 1.00 0.00 H ATOM 1838 H ARG B 95 -32.131 3.298 -11.868 1.00 0.00 H ATOM 1839 N MET B 96 -28.651 2.277 -13.466 1.00 5.55 N ATOM 1840 CA MET B 96 -27.391 1.848 -12.874 1.00 5.28 C ATOM 1841 C MET B 96 -26.282 2.771 -13.355 1.00 4.89 C ATOM 1842 O MET B 96 -26.241 3.139 -14.535 1.00 5.08 O ATOM 1843 CB MET B 96 -27.053 0.418 -13.284 1.00 5.30 C ATOM 1844 CG MET B 96 -28.014 -0.614 -12.752 1.00 7.92 C ATOM 1845 SD MET B 96 -27.618 -2.263 -13.336 1.00 8.51 S ATOM 1846 CE MET B 96 -28.391 -3.241 -12.059 1.00 10.03 C ATOM 1847 H MET B 96 -28.814 2.085 -14.475 1.00 0.00 H ATOM 1848 N VAL B 97 -25.397 3.176 -12.443 1.00 4.52 N ATOM 1849 CA VAL B 97 -24.350 4.145 -12.761 1.00 4.78 C ATOM 1850 C VAL B 97 -23.028 3.698 -12.152 1.00 4.43 C ATOM 1851 O VAL B 97 -22.971 3.329 -10.976 1.00 5.16 O ATOM 1852 CB VAL B 97 -24.715 5.551 -12.230 1.00 4.79 C ATOM 1853 CG1 VAL B 97 -23.647 6.565 -12.608 1.00 6.58 C ATOM 1854 CG2 VAL B 97 -26.078 5.997 -12.746 1.00 6.49 C ATOM 1855 H VAL B 97 -25.454 2.791 -11.478 1.00 0.00 H ATOM 1856 N VAL B 98 -21.952 3.785 -12.931 1.00 5.00 N ATOM 1857 CA VAL B 98 -20.586 3.719 -12.412 1.00 5.82 C ATOM 1858 C VAL B 98 -19.878 5.007 -12.806 1.00 4.84 C ATOM 1859 O VAL B 98 -19.815 5.348 -13.995 1.00 5.70 O ATOM 1860 CB VAL B 98 -19.815 2.508 -12.958 1.00 5.95 C ATOM 1861 CG1 VAL B 98 -18.382 2.505 -12.433 1.00 7.72 C ATOM 1862 CG2 VAL B 98 -20.520 1.211 -12.598 1.00 8.81 C ATOM 1863 H VAL B 98 -22.089 3.905 -13.955 1.00 0.00 H ATOM 1864 N ASN B 99 -19.337 5.711 -11.817 1.00 5.26 N ATOM 1865 CA ASN B 99 -18.597 6.943 -12.046 1.00 5.31 C ATOM 1866 C ASN B 99 -17.105 6.664 -12.020 1.00 5.33 C ATOM 1867 O ASN B 99 -16.622 5.928 -11.151 1.00 6.61 O ATOM 1868 CB ASN B 99 -18.902 7.948 -10.941 1.00 5.59 C ATOM 1869 CG ASN B 99 -20.338 8.409 -10.950 1.00 6.23 C ATOM 1870 OD1 ASN B 99 -20.995 8.408 -11.985 1.00 6.69 O ATOM 1871 ND2 ASN B 99 -20.835 8.803 -9.788 1.00 9.01 N ATOM 1872 HD22 ASN B 99 -20.240 8.787 -8.935 1.00 0.00 H ATOM 1873 HD21 ASN B 99 -21.821 9.129 -9.728 1.00 0.00 H ATOM 1874 H ASN B 99 -19.447 5.368 -10.841 1.00 0.00 H ATOM 1875 N GLU B 100 -16.373 7.280 -12.953 1.00 5.42 N ATOM 1876 CA GLU B 100 -14.919 7.183 -13.016 1.00 5.98 C ATOM 1877 C GLU B 100 -14.290 8.569 -12.952 1.00 5.16 C ATOM 1878 O GLU B 100 -14.558 9.421 -13.810 1.00 5.84 O ATOM 1879 CB GLU B 100 -14.466 6.475 -14.294 1.00 6.29 C ATOM 1880 CG GLU B 100 -12.984 6.647 -14.606 1.00 7.80 C ATOM 1881 CD GLU B 100 -12.062 5.845 -13.706 1.00 6.80 C ATOM 1882 OE1 GLU B 100 -12.490 4.803 -13.173 1.00 7.64 O ATOM 1883 OE2 GLU B 100 -10.889 6.258 -13.556 1.00 8.54 O ATOM 1884 H GLU B 100 -16.863 7.855 -13.668 1.00 0.00 H ATOM 1885 N GLY B 101 -13.423 8.777 -11.966 1.00 6.62 N ATOM 1886 CA GLY B 101 -12.592 9.961 -11.958 1.00 7.31 C ATOM 1887 C GLY B 101 -13.344 11.258 -11.714 1.00 6.23 C ATOM 1888 O GLY B 101 -14.521 11.294 -11.342 1.00 6.72 O ATOM 1889 H GLY B 101 -13.342 8.084 -11.195 1.00 0.00 H ATOM 1890 N SER B 102 -12.635 12.361 -11.959 1.00 7.74 N ATOM 1891 CA SER B 102 -13.199 13.661 -11.605 1.00 7.72 C ATOM 1892 C SER B 102 -14.339 14.058 -12.538 1.00 6.21 C ATOM 1893 O SER B 102 -15.381 14.539 -12.079 1.00 6.36 O ATOM 1894 CB SER B 102 -12.112 14.735 -11.538 1.00 10.91 C ATOM 1895 OG SER B 102 -11.608 15.038 -12.822 1.00 13.68 O ATOM 1896 HG SER B 102 -12.344 15.370 -13.394 1.00 0.00 H ATOM 1897 H SER B 102 -11.694 12.296 -12.396 1.00 0.00 H ATOM 1898 N ASP B 103 -14.170 13.866 -13.849 1.00 6.53 N ATOM 1899 CA ASP B 103 -15.265 14.186 -14.760 1.00 6.72 C ATOM 1900 C ASP B 103 -16.467 13.279 -14.526 1.00 5.84 C ATOM 1901 O ASP B 103 -17.607 13.698 -14.726 1.00 6.30 O ATOM 1902 CB ASP B 103 -14.817 14.074 -16.218 1.00 8.23 C ATOM 1903 CG ASP B 103 -14.294 15.384 -16.796 1.00 7.41 C ATOM 1904 OD1 ASP B 103 -14.236 16.408 -16.084 1.00 9.33 O ATOM 1905 OD2 ASP B 103 -13.925 15.365 -17.988 1.00 9.30 O ATOM 1906 H ASP B 103 -13.271 13.494 -14.216 1.00 0.00 H ATOM 1907 N GLY B 104 -16.237 12.028 -14.124 1.00 5.54 N ATOM 1908 CA GLY B 104 -17.344 11.142 -13.808 1.00 5.66 C ATOM 1909 C GLY B 104 -18.012 11.436 -12.490 1.00 5.85 C ATOM 1910 O GLY B 104 -19.078 10.869 -12.222 1.00 6.82 O ATOM 1911 H GLY B 104 -15.259 11.685 -14.036 1.00 0.00 H ATOM 1912 N GLY B 105 -17.424 12.304 -11.667 1.00 4.91 N ATOM 1913 CA GLY B 105 -17.995 12.590 -10.366 1.00 7.65 C ATOM 1914 C GLY B 105 -17.827 11.474 -9.360 1.00 5.70 C ATOM 1915 O GLY B 105 -18.636 11.361 -8.433 1.00 6.77 O ATOM 1916 H GLY B 105 -16.548 12.780 -11.961 1.00 0.00 H ATOM 1917 N GLN B 106 -16.793 10.647 -9.509 1.00 5.44 N ATOM 1918 CA GLN B 106 -16.579 9.532 -8.593 1.00 5.16 C ATOM 1919 C GLN B 106 -16.272 10.065 -7.201 1.00 6.47 C ATOM 1920 O GLN B 106 -15.317 10.823 -7.016 1.00 8.21 O ATOM 1921 CB GLN B 106 -15.428 8.669 -9.097 1.00 6.19 C ATOM 1922 CG GLN B 106 -15.217 7.439 -8.248 1.00 7.38 C ATOM 1923 CD GLN B 106 -14.137 6.509 -8.771 1.00 6.11 C ATOM 1924 OE1 GLN B 106 -13.544 6.735 -9.824 1.00 7.17 O ATOM 1925 NE2 GLN B 106 -13.888 5.441 -8.028 1.00 8.12 N ATOM 1926 HE22 GLN B 106 -14.414 5.289 -7.144 1.00 0.00 H ATOM 1927 HE21 GLN B 106 -13.167 4.755 -8.329 1.00 0.00 H ATOM 1928 H GLN B 106 -16.126 10.799 -10.293 1.00 0.00 H ATOM 1929 N SER B 107 -17.074 9.666 -6.216 1.00 5.67 N ATOM 1930 CA SER B 107 -16.955 10.239 -4.879 1.00 5.82 C ATOM 1931 C SER B 107 -16.046 9.441 -3.954 1.00 5.65 C ATOM 1932 O SER B 107 -15.452 10.019 -3.035 1.00 7.40 O ATOM 1933 CB SER B 107 -18.340 10.381 -4.244 1.00 9.20 C ATOM 1934 OG SER B 107 -19.190 11.170 -5.059 1.00 9.74 O ATOM 1935 HG SER B 107 -20.078 11.248 -4.629 1.00 0.00 H ATOM 1936 H SER B 107 -17.793 8.938 -6.401 1.00 0.00 H ATOM 1937 N VAL B 108 -15.934 8.131 -4.166 1.00 6.32 N ATOM 1938 CA VAL B 108 -15.150 7.241 -3.311 1.00 5.63 C ATOM 1939 C VAL B 108 -14.331 6.360 -4.238 1.00 5.23 C ATOM 1940 O VAL B 108 -14.870 5.795 -5.196 1.00 5.90 O ATOM 1941 CB VAL B 108 -16.035 6.357 -2.403 1.00 5.72 C ATOM 1942 CG1 VAL B 108 -15.164 5.419 -1.575 1.00 6.50 C ATOM 1943 CG2 VAL B 108 -16.921 7.211 -1.502 1.00 7.19 C ATOM 1944 H VAL B 108 -16.430 7.720 -4.982 1.00 0.00 H ATOM 1945 N TYR B 109 -13.036 6.234 -3.959 1.00 5.75 N ATOM 1946 CA TYR B 109 -12.147 5.433 -4.801 1.00 7.44 C ATOM 1947 C TYR B 109 -12.138 3.964 -4.361 1.00 6.03 C ATOM 1948 O TYR B 109 -11.132 3.365 -3.988 1.00 6.98 O ATOM 1949 CB TYR B 109 -10.769 6.080 -4.911 1.00 8.35 C ATOM 1950 CG TYR B 109 -10.804 7.170 -5.971 1.00 9.40 C ATOM 1951 CD1 TYR B 109 -11.190 8.467 -5.660 1.00 14.06 C ATOM 1952 CD2 TYR B 109 -10.547 6.873 -7.301 1.00 12.61 C ATOM 1953 CE1 TYR B 109 -11.262 9.451 -6.647 1.00 16.20 C ATOM 1954 CE2 TYR B 109 -10.619 7.846 -8.287 1.00 11.30 C ATOM 1955 CZ TYR B 109 -10.975 9.127 -7.956 1.00 10.51 C ATOM 1956 OH TYR B 109 -11.044 10.084 -8.953 1.00 14.28 O ATOM 1957 HH TYR B 109 -10.157 10.176 -9.383 1.00 0.00 H ATOM 1958 H TYR B 109 -12.647 6.716 -3.123 1.00 0.00 H ATOM 1959 N HIS B 110 -13.338 3.398 -4.437 1.00 6.32 N ATOM 1960 CA HIS B 110 -13.591 1.966 -4.348 1.00 5.60 C ATOM 1961 C HIS B 110 -14.747 1.764 -5.314 1.00 5.52 C ATOM 1962 O HIS B 110 -15.793 2.398 -5.140 1.00 6.74 O ATOM 1963 CB HIS B 110 -14.002 1.602 -2.913 1.00 6.22 C ATOM 1964 CG HIS B 110 -14.193 0.136 -2.681 1.00 6.52 C ATOM 1965 ND1 HIS B 110 -13.536 -0.540 -1.675 1.00 8.57 N ATOM 1966 CD2 HIS B 110 -14.983 -0.774 -3.299 1.00 8.96 C ATOM 1967 CE1 HIS B 110 -13.902 -1.810 -1.697 1.00 8.19 C ATOM 1968 NE2 HIS B 110 -14.780 -1.978 -2.671 1.00 8.01 N ATOM 1969 H HIS B 110 -14.158 4.024 -4.570 1.00 0.00 H ATOM 1970 N VAL B 111 -14.567 0.892 -6.314 1.00 5.47 N ATOM 1971 CA VAL B 111 -15.574 0.713 -7.359 1.00 7.09 C ATOM 1972 C VAL B 111 -16.946 0.512 -6.741 1.00 5.49 C ATOM 1973 O VAL B 111 -17.109 -0.250 -5.781 1.00 5.69 O ATOM 1974 CB VAL B 111 -15.192 -0.461 -8.276 1.00 7.61 C ATOM 1975 CG1 VAL B 111 -16.398 -0.923 -9.093 1.00 7.41 C ATOM 1976 CG2 VAL B 111 -14.070 -0.047 -9.188 1.00 7.15 C ATOM 1977 H VAL B 111 -13.693 0.330 -6.348 1.00 0.00 H ATOM 1978 N HIS B 112 -17.944 1.203 -7.288 1.00 5.95 N ATOM 1979 CA HIS B 112 -19.302 1.034 -6.786 1.00 7.29 C ATOM 1980 C HIS B 112 -20.315 1.236 -7.902 1.00 5.85 C ATOM 1981 O HIS B 112 -20.173 2.143 -8.725 1.00 6.55 O ATOM 1982 CB HIS B 112 -19.623 1.952 -5.568 1.00 7.29 C ATOM 1983 CG HIS B 112 -19.317 3.405 -5.774 1.00 7.31 C ATOM 1984 ND1 HIS B 112 -18.033 3.904 -5.777 1.00 7.31 N ATOM 1985 CD2 HIS B 112 -20.135 4.477 -5.916 1.00 9.67 C ATOM 1986 CE1 HIS B 112 -18.070 5.214 -5.960 1.00 8.57 C ATOM 1987 NE2 HIS B 112 -19.335 5.587 -6.051 1.00 10.26 N ATOM 1988 H HIS B 112 -17.755 1.861 -8.071 1.00 0.00 H ATOM 1989 N LEU B 113 -21.333 0.384 -7.915 1.00 5.15 N ATOM 1990 CA LEU B 113 -22.459 0.494 -8.826 1.00 5.35 C ATOM 1991 C LEU B 113 -23.621 1.150 -8.087 1.00 4.54 C ATOM 1992 O LEU B 113 -24.132 0.588 -7.113 1.00 7.09 O ATOM 1993 CB LEU B 113 -22.867 -0.903 -9.290 1.00 5.91 C ATOM 1994 CG LEU B 113 -24.038 -1.005 -10.260 1.00 7.57 C ATOM 1995 CD1 LEU B 113 -23.612 -0.486 -11.625 1.00 7.88 C ATOM 1996 CD2 LEU B 113 -24.542 -2.451 -10.357 1.00 8.65 C ATOM 1997 H LEU B 113 -21.324 -0.404 -7.237 1.00 0.00 H ATOM 1998 N HIS B 114 -24.039 2.328 -8.549 1.00 5.13 N ATOM 1999 CA HIS B 114 -25.255 2.959 -8.045 1.00 5.49 C ATOM 2000 C HIS B 114 -26.458 2.333 -8.729 1.00 5.33 C ATOM 2001 O HIS B 114 -26.428 2.084 -9.939 1.00 6.03 O ATOM 2002 CB HIS B 114 -25.305 4.438 -8.424 1.00 5.81 C ATOM 2003 CG HIS B 114 -24.245 5.278 -7.798 1.00 5.85 C ATOM 2004 ND1 HIS B 114 -24.447 5.990 -6.636 1.00 7.47 N ATOM 2005 CD2 HIS B 114 -22.982 5.556 -8.200 1.00 8.26 C ATOM 2006 CE1 HIS B 114 -23.342 6.651 -6.336 1.00 8.69 C ATOM 2007 NE2 HIS B 114 -22.440 6.404 -7.268 1.00 9.97 N ATOM 2008 H HIS B 114 -23.486 2.809 -9.286 1.00 0.00 H ATOM 2009 N VAL B 115 -27.545 2.162 -7.975 1.00 5.74 N ATOM 2010 CA VAL B 115 -28.837 1.766 -8.527 1.00 6.06 C ATOM 2011 C VAL B 115 -29.887 2.722 -7.977 1.00 5.40 C ATOM 2012 O VAL B 115 -30.060 2.819 -6.755 1.00 5.86 O ATOM 2013 CB VAL B 115 -29.190 0.306 -8.191 1.00 6.48 C ATOM 2014 CG1 VAL B 115 -30.470 -0.113 -8.898 1.00 7.90 C ATOM 2015 CG2 VAL B 115 -28.045 -0.630 -8.560 1.00 7.97 C ATOM 2016 H VAL B 115 -27.469 2.318 -6.950 1.00 0.00 H ATOM 2017 N LEU B 116 -30.571 3.437 -8.867 1.00 6.20 N ATOM 2018 CA LEU B 116 -31.527 4.473 -8.495 1.00 6.52 C ATOM 2019 C LEU B 116 -32.877 4.198 -9.138 1.00 6.17 C ATOM 2020 O LEU B 116 -32.956 3.911 -10.336 1.00 7.02 O ATOM 2021 CB LEU B 116 -31.050 5.851 -8.977 1.00 7.57 C ATOM 2022 CG LEU B 116 -29.651 6.288 -8.542 1.00 7.42 C ATOM 2023 CD1 LEU B 116 -28.624 6.054 -9.635 1.00 8.86 C ATOM 2024 CD2 LEU B 116 -29.652 7.743 -8.127 1.00 10.17 C ATOM 2025 H LEU B 116 -30.416 3.247 -9.878 1.00 0.00 H ATOM 2026 N GLY B 117 -33.940 4.345 -8.359 1.00 6.27 N ATOM 2027 CA GLY B 117 -35.272 4.216 -8.914 1.00 8.32 C ATOM 2028 C GLY B 117 -36.322 4.748 -7.965 1.00 7.41 C ATOM 2029 O GLY B 117 -36.017 5.408 -6.971 1.00 7.85 O ATOM 2030 H GLY B 117 -33.817 4.553 -7.348 1.00 0.00 H ATOM 2031 N GLY B 118 -37.579 4.446 -8.284 1.00 8.10 N ATOM 2032 CA GLY B 118 -38.698 4.987 -7.535 1.00 8.48 C ATOM 2033 C GLY B 118 -39.131 6.368 -7.964 1.00 9.52 C ATOM 2034 O GLY B 118 -40.009 6.960 -7.315 1.00 11.21 O ATOM 2035 H GLY B 118 -37.762 3.810 -9.086 1.00 0.00 H ATOM 2036 N ARG B 119 -38.520 6.910 -9.012 1.00 8.90 N ATOM 2037 CA ARG B 119 -38.953 8.136 -9.658 1.00 10.10 C ATOM 2038 C ARG B 119 -38.507 8.039 -11.104 1.00 9.00 C ATOM 2039 O ARG B 119 -37.688 7.187 -11.463 1.00 8.89 O ATOM 2040 CB ARG B 119 -38.343 9.376 -8.991 1.00 9.40 C ATOM 2041 CG ARG B 119 -36.823 9.494 -9.138 1.00 8.95 C ATOM 2042 CD ARG B 119 -36.366 10.900 -8.762 1.00 8.86 C ATOM 2043 NE ARG B 119 -34.917 11.074 -8.679 1.00 9.26 N ATOM 2044 CZ ARG B 119 -34.135 11.411 -9.702 1.00 8.07 C ATOM 2045 NH1 ARG B 119 -34.643 11.579 -10.918 1.00 8.43 N ATOM 2046 NH2 ARG B 119 -32.834 11.571 -9.510 1.00 8.56 N ATOM 2047 HE ARG B 119 -34.465 10.924 -7.755 1.00 0.00 H ATOM 2048 HH12 ARG B 119 -34.022 11.842 -11.709 1.00 0.00 H ATOM 2049 HH11 ARG B 119 -35.662 11.447 -11.079 1.00 0.00 H ATOM 2050 HH22 ARG B 119 -32.219 11.834 -10.307 1.00 0.00 H ATOM 2051 HH21 ARG B 119 -32.427 11.433 -8.563 1.00 0.00 H ATOM 2052 H ARG B 119 -37.681 6.427 -9.392 1.00 0.00 H ATOM 2053 N GLN B 120 -39.046 8.919 -11.937 1.00 9.61 N ATOM 2054 CA GLN B 120 -38.541 9.047 -13.296 1.00 8.09 C ATOM 2055 C GLN B 120 -37.108 9.567 -13.257 1.00 8.69 C ATOM 2056 O GLN B 120 -36.837 10.618 -12.663 1.00 9.41 O ATOM 2057 CB GLN B 120 -39.415 10.012 -14.093 1.00 10.72 C ATOM 2058 CG GLN B 120 -38.961 10.165 -15.536 1.00 10.92 C ATOM 2059 CD GLN B 120 -39.149 8.888 -16.324 1.00 11.64 C ATOM 2060 OE1 GLN B 120 -40.278 8.436 -16.526 1.00 12.64 O ATOM 2061 NE2 GLN B 120 -38.046 8.283 -16.755 1.00 10.41 N ATOM 2062 HE22 GLN B 120 -37.114 8.701 -16.561 1.00 0.00 H ATOM 2063 HE21 GLN B 120 -38.116 7.391 -17.286 1.00 0.00 H ATOM 2064 H GLN B 120 -39.833 9.520 -11.618 1.00 0.00 H ATOM 2065 N MET B 121 -36.188 8.823 -13.872 1.00 7.09 N ATOM 2066 CA MET B 121 -34.831 9.303 -14.091 1.00 7.05 C ATOM 2067 C MET B 121 -34.794 10.048 -15.420 1.00 8.44 C ATOM 2068 O MET B 121 -35.467 9.656 -16.379 1.00 8.59 O ATOM 2069 CB MET B 121 -33.845 8.134 -14.099 1.00 8.30 C ATOM 2070 CG MET B 121 -33.941 7.248 -12.849 1.00 8.22 C ATOM 2071 SD MET B 121 -33.598 8.113 -11.296 1.00 8.62 S ATOM 2072 CE MET B 121 -31.909 8.629 -11.587 1.00 9.14 C ATOM 2073 H MET B 121 -36.447 7.872 -14.205 1.00 0.00 H ATOM 2074 N HIS B 122 -34.005 11.115 -15.476 1.00 7.15 N ATOM 2075 CA HIS B 122 -34.063 12.072 -16.573 1.00 8.25 C ATOM 2076 C HIS B 122 -32.843 11.956 -17.476 1.00 7.70 C ATOM 2077 O HIS B 122 -31.871 11.258 -17.174 1.00 7.70 O ATOM 2078 CB HIS B 122 -34.201 13.496 -16.023 1.00 8.98 C ATOM 2079 CG HIS B 122 -35.321 13.649 -15.046 1.00 12.53 C ATOM 2080 ND1 HIS B 122 -36.639 13.427 -15.383 1.00 14.78 N ATOM 2081 CD2 HIS B 122 -35.317 13.975 -13.731 1.00 16.06 C ATOM 2082 CE1 HIS B 122 -37.401 13.624 -14.321 1.00 14.59 C ATOM 2083 NE2 HIS B 122 -36.624 13.957 -13.307 1.00 20.71 N ATOM 2084 H HIS B 122 -33.321 11.273 -14.709 1.00 0.00 H ATOM 2085 N TRP B 123 -32.903 12.665 -18.599 1.00 7.59 N ATOM 2086 CA TRP B 123 -31.848 12.624 -19.600 1.00 8.08 C ATOM 2087 C TRP B 123 -31.498 14.070 -19.925 1.00 8.76 C ATOM 2088 O TRP B 123 -32.408 14.883 -20.168 1.00 10.35 O ATOM 2089 CB TRP B 123 -32.345 11.889 -20.849 1.00 8.64 C ATOM 2090 CG TRP B 123 -31.281 11.220 -21.674 1.00 7.36 C ATOM 2091 CD1 TRP B 123 -30.973 11.483 -22.975 1.00 8.84 C ATOM 2092 CD2 TRP B 123 -30.410 10.156 -21.264 1.00 7.03 C ATOM 2093 NE1 TRP B 123 -29.961 10.654 -23.405 1.00 8.06 N ATOM 2094 CE2 TRP B 123 -29.596 9.831 -22.372 1.00 7.51 C ATOM 2095 CE3 TRP B 123 -30.240 9.445 -20.073 1.00 7.47 C ATOM 2096 CZ2 TRP B 123 -28.631 8.825 -22.320 1.00 7.52 C ATOM 2097 CZ3 TRP B 123 -29.283 8.448 -20.027 1.00 7.04 C ATOM 2098 CH2 TRP B 123 -28.490 8.147 -21.140 1.00 7.23 C ATOM 2099 HE1 TRP B 123 -29.543 10.653 -24.357 1.00 0.00 H ATOM 2100 H TRP B 123 -33.732 13.270 -18.768 1.00 0.00 H ATOM 2101 N PRO B 124 -30.213 14.445 -19.942 1.00 7.49 N ATOM 2102 CA PRO B 124 -29.011 13.618 -19.777 1.00 7.65 C ATOM 2103 C PRO B 124 -28.836 13.100 -18.349 1.00 6.17 C ATOM 2104 O PRO B 124 -29.423 13.651 -17.415 1.00 7.31 O ATOM 2105 CB PRO B 124 -27.883 14.593 -20.131 1.00 8.56 C ATOM 2106 CG PRO B 124 -28.428 15.925 -19.743 1.00 9.68 C ATOM 2107 CD PRO B 124 -29.874 15.867 -20.130 1.00 9.87 C ATOM 2108 N PRO B 125 -28.027 12.061 -18.181 1.00 6.28 N ATOM 2109 CA PRO B 125 -27.811 11.469 -16.849 1.00 6.26 C ATOM 2110 C PRO B 125 -26.730 12.216 -16.078 1.00 6.11 C ATOM 2111 O PRO B 125 -25.678 11.664 -15.738 1.00 7.00 O ATOM 2112 CB PRO B 125 -27.387 10.038 -17.199 1.00 7.17 C ATOM 2113 CG PRO B 125 -26.580 10.234 -18.462 1.00 6.97 C ATOM 2114 CD PRO B 125 -27.282 11.338 -19.228 1.00 6.61 C ATOM 2115 N GLY B 126 -26.984 13.497 -15.814 1.00 7.08 N ATOM 2116 CA GLY B 126 -25.963 14.389 -15.294 1.00 7.43 C ATOM 2117 C GLY B 126 -25.171 15.031 -16.416 1.00 7.24 C ATOM 2118 O GLY B 126 -24.132 15.660 -16.164 1.00 8.44 O ATOM 2119 OXT GLY B 126 -25.546 14.939 -17.594 1.00 10.96 O ATOM 2120 H GLY B 126 -27.940 13.868 -15.985 1.00 0.00 H TER 2121 GLY B 126 HETATM 2122 O HOH 1 -38.144 -7.966 -21.655 1.00 22.76 O HETATM 2123 O HOH 2 -39.047 2.209 -21.420 1.00 15.62 O HETATM 2124 O HOH 3 -21.045 -11.999 -36.850 1.00 27.39 O HETATM 2125 O HOH 4 -21.717 -9.953 -35.166 1.00 24.35 O HETATM 2126 O HOH 5 -12.196 -10.899 -24.332 1.00 30.56 O HETATM 2127 O HOH 6 -11.654 2.559 -32.954 1.00 27.96 O HETATM 2128 O HOH 7 -12.659 -12.679 -30.274 1.00 22.90 O HETATM 2129 O HOH 8 -18.103 -12.797 -21.748 1.00 21.88 O HETATM 2130 O HOH 9 -28.113 -18.557 -16.080 1.00 17.33 O HETATM 2131 O HOH 10 -20.385 -15.511 -26.534 1.00 23.28 O HETATM 2132 O HOH 11 -25.391 -14.656 -10.385 1.00 24.04 O HETATM 2133 O HOH 12 -21.691 -14.437 -19.801 1.00 11.96 O HETATM 2134 O HOH 13 -25.368 12.450 -34.656 1.00 21.71 O HETATM 2135 O HOH 14 -38.736 2.932 -10.360 1.00 9.65 O HETATM 2136 O HOH 15 -32.096 5.094 -35.194 1.00 27.77 O HETATM 2137 O HOH 16 -6.412 7.827 -22.309 1.00 26.10 O HETATM 2138 O HOH 17 -32.722 -6.649 -31.255 1.00 9.71 O HETATM 2139 O HOH 18 -26.077 -11.707 -32.338 1.00 24.30 O HETATM 2140 O HOH 19 -41.563 6.075 -16.147 1.00 14.09 O HETATM 2141 O HOH 20 -13.801 13.186 -19.548 1.00 8.25 O HETATM 2142 O HOH 21 -14.836 14.549 -26.046 1.00 7.74 O HETATM 2143 O HOH 22 -15.558 19.963 -21.862 1.00 8.85 O HETATM 2144 O HOH 23 -21.566 10.548 -30.567 1.00 11.06 O HETATM 2145 O HOH 24 -38.469 -7.283 -16.117 1.00 23.95 O HETATM 2146 O HOH 25 -30.908 -8.751 -43.384 1.00 27.62 O HETATM 2147 O HOH 26 -30.310 -13.246 -13.059 1.00 14.86 O HETATM 2148 O HOH 27 -21.555 -3.640 -36.196 1.00 8.43 O HETATM 2149 O HOH 28 -32.565 -3.820 -43.568 1.00 12.25 O HETATM 2150 O HOH 29 -29.009 1.244 -21.033 1.00 8.00 O HETATM 2151 O HOH 30 -40.679 -1.120 -19.960 1.00 16.70 O HETATM 2152 O HOH 31 -33.502 6.028 -28.721 1.00 16.23 O HETATM 2153 O HOH 32 -8.933 7.291 -30.303 1.00 24.88 O HETATM 2154 O HOH 33 -23.880 -14.450 -21.833 1.00 21.98 O HETATM 2155 O HOH 34 -10.492 3.875 -18.727 1.00 9.30 O HETATM 2156 O HOH 35 -11.893 -8.999 -27.194 1.00 17.99 O HETATM 2157 O HOH 36 -28.076 16.582 -12.490 1.00 16.26 O HETATM 2158 O HOH 37 -23.435 -1.377 -38.502 1.00 8.98 O HETATM 2159 O HOH 38 -38.856 -10.998 -40.210 1.00 16.87 O HETATM 2160 O HOH 39 -25.649 -6.892 -43.523 1.00 13.93 O HETATM 2161 O HOH 40 -20.451 3.651 -40.664 1.00 13.44 O HETATM 2162 O HOH 41 -21.279 -6.148 -35.094 1.00 7.90 O HETATM 2163 O HOH 42 -22.721 5.495 -34.488 1.00 9.46 O HETATM 2164 O HOH 43 -36.022 -1.575 -35.426 1.00 8.26 O HETATM 2165 O HOH 44 -10.140 8.043 -17.254 1.00 21.29 O HETATM 2166 O HOH 45 -41.799 5.567 -9.814 1.00 20.51 O HETATM 2167 O HOH 46 -38.565 -2.537 -15.873 1.00 17.83 O HETATM 2168 O HOH 47 -21.993 -8.899 -37.891 1.00 13.85 O HETATM 2169 O HOH 48 -18.636 -15.787 -28.564 1.00 14.58 O HETATM 2170 O HOH 49 -14.101 6.924 -32.680 1.00 12.47 O HETATM 2171 O HOH 50 -8.877 10.507 -14.346 1.00 23.33 O HETATM 2172 O HOH 51 -29.924 0.662 -43.657 1.00 21.75 O HETATM 2173 O HOH 52 -10.777 14.005 -23.291 1.00 12.96 O HETATM 2174 O HOH 53 -25.771 4.830 -36.147 1.00 11.52 O HETATM 2175 O HOH 54 -22.814 -11.442 -26.721 1.00 9.46 O HETATM 2176 O HOH 55 -29.020 10.120 -26.113 1.00 8.95 O HETATM 2177 O HOH 56 -17.455 12.394 -29.817 1.00 9.66 O HETATM 2178 O HOH 57 -39.340 6.681 -20.032 1.00 25.30 O HETATM 2179 O HOH 58 -35.479 -8.660 -12.373 1.00 14.78 O HETATM 2180 O HOH 59 -34.201 -6.641 -39.847 1.00 14.77 O HETATM 2181 O HOH 60 -17.727 4.148 -40.320 1.00 18.87 O HETATM 2182 O HOH 61 -31.987 -2.501 -19.518 1.00 9.81 O HETATM 2183 O HOH 62 -31.395 9.053 -30.859 1.00 18.39 O HETATM 2184 O HOH 63 -29.501 12.575 -33.500 1.00 24.35 O HETATM 2185 O HOH 64 -27.236 4.918 -39.473 1.00 16.69 O HETATM 2186 O HOH 65 -20.512 20.039 -17.750 1.00 14.40 O HETATM 2187 O HOH 66 -15.125 17.767 -10.146 1.00 13.62 O HETATM 2188 O HOH 67 -31.312 15.553 -23.882 1.00 26.81 O HETATM 2189 O HOH 68 -11.518 -7.761 -31.380 1.00 14.05 O HETATM 2190 O HOH 69 -13.632 0.471 -35.752 1.00 19.09 O HETATM 2191 O HOH 70 -30.926 -14.165 -27.062 1.00 24.23 O HETATM 2192 O HOH 71 -15.355 -3.627 -36.433 1.00 8.49 O HETATM 2193 O HOH 72 -12.060 19.019 -19.213 1.00 14.91 O HETATM 2194 O HOH 73 -15.894 4.914 -36.333 1.00 15.23 O HETATM 2195 O HOH 74 -21.118 -15.573 -9.582 1.00 18.38 O HETATM 2196 O HOH 75 -20.111 21.928 -14.967 1.00 23.13 O HETATM 2197 O HOH 76 -19.153 10.311 -29.078 1.00 8.03 O HETATM 2198 O HOH 77 -37.205 -13.144 -42.352 1.00 24.95 O HETATM 2199 O HOH 78 -21.279 14.137 -10.747 1.00 6.64 O HETATM 2200 O HOH 79 -42.776 7.343 -12.822 1.00 21.61 O HETATM 2201 O HOH 80 -24.873 -0.628 -42.852 1.00 11.43 O HETATM 2202 O HOH 81 -11.295 13.425 -20.166 1.00 17.88 O HETATM 2203 O HOH 82 -30.896 -13.177 -31.436 1.00 16.82 O HETATM 2204 O HOH 83 -32.717 -12.676 -21.052 1.00 24.07 O HETATM 2205 O HOH 84 -23.171 -13.423 -32.917 1.00 26.36 O HETATM 2206 O HOH 85 -29.371 5.275 -37.810 1.00 15.66 O HETATM 2207 O HOH 86 -28.918 -2.927 -45.231 1.00 22.22 O HETATM 2208 O HOH 87 -27.496 15.202 -29.078 1.00 25.44 O HETATM 2209 O HOH 88 -11.264 -6.809 -23.052 1.00 21.28 O HETATM 2210 O HOH 89 -18.115 -2.249 -39.469 1.00 7.71 O HETATM 2211 O HOH 90 -30.155 -13.786 -21.464 1.00 19.70 O HETATM 2212 O HOH 91 -29.222 -13.546 -29.244 1.00 15.24 O HETATM 2213 O HOH 92 -17.292 20.620 -18.005 1.00 12.37 O HETATM 2214 O HOH 93 -20.817 -15.614 -16.402 1.00 12.62 O HETATM 2215 O HOH 94 -21.076 -16.206 -13.703 1.00 18.19 O HETATM 2216 O HOH 95 -30.699 -16.962 -14.301 1.00 24.20 O HETATM 2217 O HOH 96 -20.450 15.030 -29.295 1.00 15.81 O HETATM 2218 O HOH 97 -17.378 2.176 -38.288 1.00 8.15 O HETATM 2219 O HOH 98 -16.057 20.859 -12.134 1.00 19.47 O HETATM 2220 O HOH 99 -25.564 -17.310 -24.010 1.00 28.57 O HETATM 2221 O HOH 100 -12.305 -3.639 -33.129 1.00 12.62 O HETATM 2222 O HOH 101 -32.975 14.767 -11.104 1.00 22.21 O HETATM 2223 O HOH 102 -21.619 0.280 -39.712 1.00 7.95 O HETATM 2224 O HOH 103 -31.387 11.343 -26.945 1.00 23.88 O HETATM 2225 O HOH 104 -25.953 17.532 -22.261 1.00 24.98 O HETATM 2226 O HOH 105 -7.355 20.514 -18.226 1.00 30.75 O HETATM 2227 O HOH 106 -30.152 15.785 -27.096 1.00 28.97 O HETATM 2228 O HOH 107 -29.987 -1.441 -21.389 1.00 10.14 O HETATM 2229 O HOH 108 -40.395 -0.657 -17.215 1.00 15.61 O HETATM 2230 O HOH 109 -22.153 -13.822 -25.500 1.00 20.98 O HETATM 2231 O HOH 110 -22.248 18.201 -23.360 1.00 16.77 O HETATM 2232 O HOH 111 -5.234 10.422 -22.974 1.00 11.40 O HETATM 2233 O HOH 112 -38.035 -12.554 -37.691 1.00 26.52 O HETATM 2234 O HOH 113 -7.947 0.515 -20.287 1.00 19.74 O HETATM 2235 O HOH 114 -37.393 -7.901 -32.977 1.00 6.41 O HETATM 2236 O HOH 115 -22.158 16.630 -28.062 1.00 30.00 O HETATM 2237 O HOH 116 -13.916 -2.073 -34.578 1.00 14.71 O HETATM 2238 O HOH 117 -18.885 0.370 -39.821 1.00 7.54 O HETATM 2239 O HOH 118 -13.548 -10.387 -32.962 1.00 22.54 O HETATM 2240 O HOH 119 -41.483 3.411 -21.884 1.00 31.63 O HETATM 2241 O HOH 120 -40.190 -5.162 -16.547 1.00 23.47 O HETATM 2242 O HOH 121 -15.035 0.579 -38.261 1.00 13.26 O HETATM 2243 O HOH 122 -15.857 20.318 -9.543 1.00 20.28 O HETATM 2244 O HOH 123 -39.663 -9.050 -19.892 1.00 31.16 O HETATM 2245 O HOH 124 -23.660 -15.764 -23.941 1.00 29.61 O HETATM 2246 O HOH 125 -35.534 -10.785 -30.785 1.00 20.48 O HETATM 2247 O HOH 126 -33.240 -12.390 -30.426 1.00 24.44 O HETATM 2248 O HOH 127 -34.785 4.609 -31.284 1.00 32.18 O HETATM 2249 O HOH 128 -15.133 21.013 -16.479 1.00 22.39 O HETATM 2250 O HOH 129 -23.787 -11.402 -33.796 1.00 22.79 O HETATM 2251 O HOH 130 -24.047 7.087 -36.476 1.00 25.62 O HETATM 2252 O HOH 131 -25.804 0.468 -45.162 1.00 22.15 O HETATM 2253 O HOH 132 -21.678 5.936 -40.914 1.00 26.42 O HETATM 2254 O HOH 133 -22.235 -0.128 -42.327 1.00 11.55 O HETATM 2255 O HOH 134 -27.082 15.884 -31.375 1.00 26.53 O HETATM 2256 O HOH 135 -31.628 3.935 -38.933 1.00 29.43 O HETATM 2257 O HOH 136 -22.845 13.270 -34.004 1.00 22.90 O HETATM 2258 O HOH 137 -6.077 6.983 -31.620 1.00 31.48 O HETATM 2259 O HOH 138 -12.311 5.055 -32.554 1.00 20.47 O HETATM 2260 O HOH 139 -15.538 -2.131 -38.680 1.00 8.69 O HETATM 2261 O HOH 140 -43.573 4.857 -22.394 1.00 30.05 O HETATM 2262 O HOH 141 -30.786 -5.173 -45.121 1.00 27.96 O HETATM 2263 O HOH 142 -20.632 -2.179 -43.344 1.00 11.89 O HETATM 2264 O HOH 143 -9.305 -6.469 -32.461 1.00 29.81 O HETATM 2265 O HOH 144 -38.149 -8.841 -11.928 1.00 27.47 O HETATM 2266 O HOH 145 -19.993 20.131 -23.113 1.00 17.81 O HETATM 2267 O HOH 146 -17.294 21.544 -20.498 1.00 13.04 O HETATM 2268 O HOH 147 -21.071 2.179 -42.926 1.00 17.15 O HETATM 2269 O HOH 148 -17.762 0.658 -42.415 1.00 13.72 O HETATM 2270 O HOH 149 -22.507 3.945 -44.714 1.00 30.30 O HETATM 2271 O HOH 150 -13.862 22.620 -18.285 1.00 18.98 O HETATM 2272 O HOH 151 -11.102 -2.011 -37.106 1.00 31.16 O HETATM 2273 O HOH 152 -9.333 -5.046 -10.692 1.00 31.01 O HETATM 2274 O HOH 153 -11.506 -10.361 -9.982 1.00 20.13 O HETATM 2275 O HOH 154 -13.094 2.216 11.298 1.00 28.86 O HETATM 2276 O HOH 155 -22.104 7.111 -2.552 1.00 21.65 O HETATM 2277 O HOH 156 -13.613 17.149 -13.566 1.00 14.04 O HETATM 2278 O HOH 157 -34.745 -10.631 -6.606 1.00 30.93 O HETATM 2279 O HOH 158 -10.038 -0.622 1.719 1.00 26.08 O HETATM 2280 O HOH 159 -8.916 10.567 -10.325 1.00 27.78 O HETATM 2281 O HOH 160 -8.131 5.268 -1.149 1.00 32.76 O HETATM 2282 O HOH 161 -27.115 -14.158 -8.359 1.00 24.09 O HETATM 2283 O HOH 162 -10.449 3.225 11.853 1.00 29.34 O HETATM 2284 O HOH 163 -20.970 13.052 -5.597 1.00 16.25 O HETATM 2285 O HOH 164 -12.859 16.629 -20.068 1.00 11.73 O HETATM 2286 O HOH 165 -6.759 5.033 -14.301 1.00 20.79 O HETATM 2287 O HOH 166 -41.406 9.193 -6.900 1.00 24.88 O HETATM 2288 O HOH 167 -11.906 0.819 0.163 1.00 10.53 O HETATM 2289 O HOH 168 -8.764 -4.568 -17.935 1.00 19.30 O HETATM 2290 O HOH 169 -14.165 -12.077 -12.013 1.00 10.92 O HETATM 2291 O HOH 170 -21.520 10.320 -6.090 1.00 21.76 O HETATM 2292 O HOH 171 -15.584 -17.586 -1.293 1.00 8.52 O HETATM 2293 O HOH 172 -23.282 9.395 -1.434 1.00 9.75 O HETATM 2294 O HOH 173 -12.033 -4.746 11.036 1.00 14.27 O HETATM 2295 O HOH 174 -10.047 8.585 -14.632 1.00 20.11 O HETATM 2296 O HOH 175 -12.737 -6.236 1.622 1.00 21.50 O HETATM 2297 O HOH 176 -24.946 -14.205 -4.555 1.00 8.19 O HETATM 2298 O HOH 177 -13.624 18.931 -16.876 1.00 16.14 O HETATM 2299 O HOH 178 -29.244 8.933 4.985 1.00 16.26 O HETATM 2300 O HOH 179 -34.575 -6.052 -11.783 1.00 11.12 O HETATM 2301 O HOH 180 -5.520 1.615 -7.990 1.00 30.20 O HETATM 2302 O HOH 181 -37.694 0.277 -2.158 1.00 29.13 O HETATM 2303 O HOH 182 -14.638 4.046 -11.024 1.00 10.55 O HETATM 2304 O HOH 183 -30.803 5.484 0.647 1.00 13.63 O HETATM 2305 O HOH 184 -30.844 15.865 -16.628 1.00 19.07 O HETATM 2306 O HOH 185 -21.325 -1.939 7.771 1.00 8.33 O HETATM 2307 O HOH 186 -19.472 4.776 -9.096 1.00 6.58 O HETATM 2308 O HOH 187 -27.937 12.359 3.725 1.00 13.29 O HETATM 2309 O HOH 188 -20.617 -0.953 12.567 1.00 21.17 O HETATM 2310 O HOH 189 -27.059 2.936 4.539 1.00 13.95 O HETATM 2311 O HOH 190 -25.199 -8.933 5.549 1.00 12.71 O HETATM 2312 O HOH 191 -32.601 3.759 -0.844 1.00 10.52 O HETATM 2313 O HOH 192 -38.826 3.547 -4.349 1.00 19.13 O HETATM 2314 O HOH 193 -14.900 -8.904 -4.510 1.00 9.45 O HETATM 2315 O HOH 194 -25.097 -1.713 9.895 1.00 22.55 O HETATM 2316 O HOH 195 -40.330 -5.562 -8.170 1.00 22.36 O HETATM 2317 O HOH 196 -12.672 10.229 -3.022 1.00 9.97 O HETATM 2318 O HOH 197 -34.083 9.349 -18.780 1.00 10.12 O HETATM 2319 O HOH 198 -5.139 -2.408 -14.101 1.00 31.48 O HETATM 2320 O HOH 199 -41.292 5.763 -5.144 1.00 25.13 O HETATM 2321 O HOH 200 -20.114 13.723 -8.175 1.00 7.86 O HETATM 2322 O HOH 201 -13.292 11.603 -5.243 1.00 13.11 O HETATM 2323 O HOH 202 -23.382 4.467 6.110 1.00 9.57 O HETATM 2324 O HOH 203 -30.671 12.692 0.205 1.00 17.91 O HETATM 2325 O HOH 204 -38.427 12.452 -11.245 1.00 20.46 O HETATM 2326 O HOH 205 -8.150 2.472 -18.301 1.00 13.04 O HETATM 2327 O HOH 206 -28.120 13.917 1.245 1.00 22.42 O HETATM 2328 O HOH 207 -13.171 11.902 -8.566 1.00 17.83 O HETATM 2329 O HOH 208 -18.802 2.868 14.130 1.00 17.74 O HETATM 2330 O HOH 209 -33.443 -2.753 2.419 1.00 18.18 O HETATM 2331 O HOH 210 -18.510 -14.177 -11.275 1.00 13.79 O HETATM 2332 O HOH 211 -37.788 -3.358 -13.332 1.00 21.57 O HETATM 2333 O HOH 212 -25.211 -14.702 0.067 1.00 7.24 O HETATM 2334 O HOH 213 -12.493 17.978 -9.555 1.00 23.87 O HETATM 2335 O HOH 214 -8.519 3.976 -3.039 1.00 22.16 O HETATM 2336 O HOH 215 -11.840 7.894 -1.972 1.00 8.05 O HETATM 2337 O HOH 216 -23.068 -7.920 9.157 1.00 13.10 O HETATM 2338 O HOH 217 -41.147 10.687 -11.102 1.00 21.72 O HETATM 2339 O HOH 218 -9.807 12.128 -12.528 1.00 19.35 O HETATM 2340 O HOH 219 -34.959 3.586 -0.007 1.00 25.38 O HETATM 2341 O HOH 220 -16.332 -11.766 3.214 1.00 19.27 O HETATM 2342 O HOH 221 -25.438 10.001 -3.813 1.00 13.72 O HETATM 2343 O HOH 222 -8.772 -6.174 -1.925 1.00 20.80 O HETATM 2344 O HOH 223 -27.051 16.000 -5.386 1.00 18.23 O HETATM 2345 O HOH 224 -7.284 -0.880 -7.476 1.00 16.85 O HETATM 2346 O HOH 225 -8.415 -11.094 -7.149 1.00 31.71 O HETATM 2347 O HOH 226 -13.140 7.461 2.370 1.00 7.58 O HETATM 2348 O HOH 227 -31.439 -9.580 0.099 1.00 25.75 O HETATM 2349 O HOH 228 -35.533 13.751 -19.284 1.00 16.92 O HETATM 2350 O HOH 229 -22.316 5.329 9.151 1.00 9.69 O HETATM 2351 O HOH 230 -14.019 -13.037 -15.207 1.00 15.33 O HETATM 2352 O HOH 231 -10.399 7.470 2.220 1.00 18.96 O HETATM 2353 O HOH 232 -40.677 1.110 -9.702 1.00 13.75 O HETATM 2354 O HOH 233 -37.526 12.523 -18.036 1.00 24.86 O HETATM 2355 O HOH 234 -17.134 -13.290 -9.121 1.00 11.04 O HETATM 2356 O HOH 235 -40.066 0.823 -4.515 1.00 23.54 O HETATM 2357 O HOH 236 -27.852 -3.336 8.038 1.00 14.25 O HETATM 2358 O HOH 237 -6.492 -9.920 -15.592 1.00 24.19 O HETATM 2359 O HOH 238 -32.848 -6.846 2.661 1.00 31.04 O HETATM 2360 O HOH 239 -16.845 3.553 -8.896 1.00 8.94 O HETATM 2361 O HOH 240 -28.565 15.491 -2.054 1.00 20.09 O HETATM 2362 O HOH 241 -34.606 7.930 -0.409 1.00 21.70 O HETATM 2363 O HOH 242 -5.845 -7.124 -17.027 1.00 25.65 O HETATM 2364 O HOH 243 -24.790 14.029 -2.803 1.00 20.15 O HETATM 2365 O HOH 244 -27.986 -10.990 2.241 1.00 12.95 O HETATM 2366 O HOH 245 -10.674 -4.456 3.993 1.00 30.22 O HETATM 2367 O HOH 246 -24.157 3.968 3.475 1.00 11.30 O HETATM 2368 O HOH 247 -34.301 -10.320 -10.534 1.00 21.72 O HETATM 2369 O HOH 248 -27.724 0.460 9.908 1.00 29.35 O HETATM 2370 O HOH 249 -26.012 18.109 -17.591 1.00 25.54 O HETATM 2371 O HOH 250 -7.591 -4.852 -9.372 1.00 31.68 O HETATM 2372 O HOH 251 -35.680 11.879 -5.565 1.00 17.95 O HETATM 2373 O HOH 252 -35.661 1.067 -0.722 1.00 28.58 O HETATM 2374 O HOH 253 -35.622 10.996 -3.344 1.00 27.30 O HETATM 2375 O HOH 254 -37.021 -4.961 -11.131 1.00 26.82 O HETATM 2376 O HOH 255 -34.689 10.132 -1.016 1.00 28.37 O HETATM 2377 O HOH 256 -28.438 16.554 -15.205 1.00 25.57 O HETATM 2378 O HOH 257 -26.737 3.164 9.089 1.00 19.58 O HETATM 2379 O HOH 258 -18.788 -16.819 -10.623 1.00 12.23 O HETATM 2380 O HOH 259 -27.842 -8.931 4.034 1.00 21.54 O HETATM 2381 O HOH 260 -23.246 -16.301 -8.612 1.00 19.59 O HETATM 2382 O HOH 261 -25.613 5.360 7.505 1.00 20.29 O HETATM 2383 O HOH 262 -42.766 -4.870 -7.518 1.00 31.29 O HETATM 2384 O HOH 263 -36.045 0.625 2.517 1.00 32.72 O HETATM 2385 O HOH 264 -25.587 12.297 5.402 1.00 12.14 O HETATM 2386 O HOH 265 -28.637 -10.593 -4.845 1.00 18.92 O HETATM 2387 O HOH 266 -11.034 -2.771 1.028 1.00 27.45 O HETATM 2388 O HOH 267 -14.363 -13.238 -9.532 1.00 13.05 O HETATM 2389 O HOH 268 -13.857 7.087 6.604 1.00 12.93 O HETATM 2390 O HOH 269 -40.768 13.378 -14.782 1.00 34.05 O HETATM 2391 O HOH 270 -30.688 -11.863 -4.165 1.00 29.55 O HETATM 2392 O HOH 271 -37.643 10.613 -1.631 1.00 29.49 O HETATM 2393 O HOH 272 -8.454 -10.362 -4.684 1.00 20.94 O HETATM 2394 O HOH 273 -9.272 7.670 -1.028 1.00 28.03 O HETATM 2395 O HOH 274 -27.297 -12.989 -5.660 1.00 17.78 O HETATM 2396 O HOH 275 -41.845 9.249 -3.950 1.00 32.40 O HETATM 2397 O HOH 276 -28.422 9.816 7.418 1.00 19.30 O HETATM 2398 O HOH 277 -30.577 -11.795 1.703 1.00 30.42 O HETATM 2399 O HOH 278 -6.149 4.083 -18.531 1.00 28.95 O HETATM 2400 O HOH 279 -19.993 5.197 13.119 1.00 13.96 O HETATM 2401 O HOH 280 -12.648 -11.791 -7.988 1.00 16.53 O HETATM 2402 O HOH 281 -7.153 -7.944 -3.680 1.00 26.23 O HETATM 2403 O HOH 282 -26.589 4.303 11.607 1.00 30.03 O HETATM 2404 N1 KBD A 283 -27.565 4.775 -34.048 1.00 -0.25 N HETATM 2405 C6 KBD A 283 -28.897 4.669 -34.038 1.00 0.26 C HETATM 2406 C5 KBD A 283 -29.577 4.870 -32.749 1.00 0.26 C HETATM 2407 C4 KBD A 283 -28.729 5.165 -31.589 1.00 0.33 C HETATM 2408 N3 KBD A 283 -27.390 5.252 -31.715 1.00 -0.19 N HETATM 2409 C2 KBD A 283 -26.849 5.043 -32.941 1.00 0.20 C HETATM 2410 N2 KBD A 283 -25.511 5.120 -33.086 1.00 -0.33 N HETATM 2411 H11 KBD A 283 -25.083 4.964 -34.010 1.00 0.18 H HETATM 2412 H12 KBD A 283 -24.916 5.335 -32.273 1.00 0.18 H HETATM 2413 H2 KBD A 283 -26.795 5.471 -30.904 1.00 0.25 H HETATM 2414 N9 KBD A 283 -29.563 5.290 -30.571 1.00 -0.10 N HETATM 2415 C8 KBD A 283 -30.826 5.113 -31.003 1.00 0.19 C HETATM 2416 N7 KBD A 283 -30.853 4.849 -32.328 1.00 -0.19 N HETATM 2417 H5 KBD A 283 -31.709 5.175 -30.369 1.00 0.18 H HETATM 2418 C1' KBD A 283 -29.187 5.637 -29.209 1.00 0.22 C HETATM 2419 C2' KBD A 283 -29.975 6.828 -28.670 1.00 0.14 C HETATM 2420 C3' KBD A 283 -29.948 6.586 -27.146 1.00 0.12 C HETATM 2421 C4' KBD A 283 -29.599 5.096 -27.022 1.00 0.12 C HETATM 2422 C5' KBD A 283 -30.585 4.295 -26.238 1.00 0.11 C HETATM 2423 O5' KBD A 283 -30.734 4.890 -24.965 1.00 -0.26 O HETATM 2424 C1 KBD A 283 -31.806 4.512 -24.085 1.00 0.32 C HETATM 2425 O2 KBD A 283 -32.336 3.423 -24.234 1.00 -0.38 O HETATM 2426 N4 KBD A 283 -32.131 5.435 -23.180 1.00 -0.25 N HETATM 2427 C7 KBD A 283 -31.572 6.779 -23.250 1.00 0.07 C HETATM 2428 C15 KBD A 283 -32.615 7.771 -23.717 1.00 -0.02 C HETATM 2429 C20 KBD A 283 -32.968 7.852 -25.061 1.00 -0.06 C HETATM 2430 C19 KBD A 283 -33.926 8.769 -25.480 1.00 -0.07 C HETATM 2431 C18 KBD A 283 -34.533 9.609 -24.553 1.00 -0.07 C HETATM 2432 C17 KBD A 283 -34.185 9.530 -23.209 1.00 -0.07 C HETATM 2433 C16 KBD A 283 -33.224 8.614 -22.793 1.00 -0.06 C HETATM 2434 H8 KBD A 283 -32.949 8.557 -21.746 1.00 0.06 H HETATM 2435 H6 KBD A 283 -34.662 10.182 -22.486 1.00 0.06 H HETATM 2436 H9 KBD A 283 -35.278 10.326 -24.878 1.00 0.06 H HETATM 2437 H10 KBD A 283 -34.199 8.829 -26.527 1.00 0.06 H HETATM 2438 H7 KBD A 283 -32.494 7.198 -25.784 1.00 0.06 H HETATM 2439 H3 KBD A 283 -31.215 7.074 -22.252 1.00 0.07 H HETATM 2440 H4 KBD A 283 -30.729 6.783 -23.957 1.00 0.07 H HETATM 2441 H13 KBD A 283 -32.766 5.202 -22.444 1.00 0.19 H HETATM 2442 H18 KBD A 283 -30.219 3.264 -26.125 1.00 0.06 H HETATM 2443 H19 KBD A 283 -31.554 4.286 -26.759 1.00 0.06 H HETATM 2444 O4' KBD A 283 -29.524 4.580 -28.366 1.00 -0.33 O HETATM 2445 H17 KBD A 283 -28.618 5.003 -26.534 1.00 0.07 H HETATM 2446 O3' KBD A 283 -28.961 7.383 -26.478 1.00 -0.39 O HETATM 2447 H21 KBD A 283 -28.111 7.228 -26.872 1.00 0.21 H HETATM 2448 H16 KBD A 283 -30.935 6.795 -26.708 1.00 0.06 H HETATM 2449 O2' KBD A 283 -29.453 8.062 -29.118 1.00 -0.38 O HETATM 2450 H20 KBD A 283 -28.542 8.132 -28.858 1.00 0.21 H HETATM 2451 H15 KBD A 283 -31.016 6.773 -29.020 1.00 0.07 H HETATM 2452 H14 KBD A 283 -28.108 5.845 -29.169 1.00 0.10 H HETATM 2453 O6 KBD A 283 -29.549 4.429 -35.081 1.00 -0.36 O HETATM 2454 H1 KBD A 283 -27.081 4.650 -34.914 1.00 0.18 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1076 1077 1080 1081 1082 CONECT 1080 1076 CONECT 1081 1076 CONECT 1082 1076 CONECT 2404 2405 2409 2454 CONECT 2405 2404 2406 2453 CONECT 2406 2405 2407 2416 CONECT 2407 2406 2408 2414 CONECT 2408 2407 2409 2413 CONECT 2409 2404 2408 2410 CONECT 2410 2409 2411 2412 CONECT 2411 2410 CONECT 2412 2410 CONECT 2413 2408 CONECT 2414 2407 2415 2418 CONECT 2415 2414 2416 2417 CONECT 2416 2406 2415 CONECT 2417 2415 CONECT 2418 2414 2419 2444 2452 CONECT 2419 2418 2420 2449 2451 CONECT 2420 2419 2421 2446 2448 CONECT 2421 2420 2422 2444 2445 CONECT 2422 2421 2423 2442 2443 CONECT 2423 2422 2424 CONECT 2424 2423 2425 2426 CONECT 2425 2424 CONECT 2426 2424 2427 2441 CONECT 2427 2426 2428 2439 2440 CONECT 2428 2427 2429 2433 CONECT 2429 2428 2430 2438 CONECT 2430 2429 2431 2437 CONECT 2431 2430 2432 2436 CONECT 2432 2431 2433 2435 CONECT 2433 2428 2432 2434 CONECT 2434 2433 CONECT 2435 2432 CONECT 2436 2431 CONECT 2437 2430 CONECT 2438 2429 CONECT 2439 2427 CONECT 2440 2427 CONECT 2441 2426 CONECT 2442 2422 CONECT 2443 2422 CONECT 2444 2418 2421 CONECT 2445 2421 CONECT 2446 2420 2447 CONECT 2447 2446 CONECT 2448 2420 CONECT 2449 2419 2450 CONECT 2450 2449 CONECT 2451 2419 CONECT 2452 2418 CONECT 2453 2405 CONECT 2454 2404 MASTER 0 0 0 0 0 0 0 0 2452 2 59 18 END
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Related entries of code: 6n3x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5i2e
RCSB PDB
PDBbind
129aa, >5I2E_1|Chains... *
5i2f
RCSB PDB
PDBbind
129aa, >5I2F_1|Chains... at 100%
5ipc
RCSB PDB
PDBbind
129aa, >5IPC_1|Chains... at 99%
5kly
RCSB PDB
PDBbind
129aa, >5KLY_1|Chains... at 99%
5klz
RCSB PDB
PDBbind
129aa, >5KLZ_1|Chains... at 100%
5km0
RCSB PDB
PDBbind
129aa, >5KM0_1|Chains... at 100%
5km1
RCSB PDB
PDBbind
129aa, >5KM1_1|Chains... at 100%
5km2
RCSB PDB
PDBbind
129aa, >5KM2_1|Chains... at 100%
5km3
RCSB PDB
PDBbind
129aa, >5KM3_1|Chains... at 100%
5kma
RCSB PDB
PDBbind
129aa, >5KMA_1|Chains... at 99%
5wa8
RCSB PDB
PDBbind
129aa, >5WA8_1|Chains... at 99%
5wa9
RCSB PDB
PDBbind
129aa, >5WA9_1|Chains... at 99%
6n3y
RCSB PDB
PDBbind
129aa, >6N3Y_1|Chains... at 100%
6n3w
RCSB PDB
PDBbind
129aa, >6N3W_1|Chains... at 100%
6n3v
RCSB PDB
PDBbind
129aa, >6N3V_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6n3x
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
HINT1
Ligand Name
KBD
EC.Number
E.C.-.-.-.-
Resolution
1.1(Å)
Affinity (Kd/Ki/IC50)
Kd=8.09uM
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
8
H
2
1
N
6
O
6
Molecular Weight
417.396
Exact Mass
417.152
No. of atoms
51
No. of bonds
54
Polar Surface Area
178.86
LOGP Value
-0.10 (
Computed with XLOGP3
)
-0.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 4
Canonical SMILES
O=C(NCc1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(N)[nH+]c2=O
InChI String
InChI=1S/C18H20N6O6/c19-17-22-14-11(15(27)23-17)21-8-24(14)16-13(26)12(25)10(30-16)7-29-18(28)20-6-9-4-2-1-3-5-9/h1-5,8,10,12-13,16,25-26H,6-7H2,(H,20,28)(H3,19,22,23,27)/p+1/t10-,12-,13-,16-/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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