Browse entries in the PDBbind-CN Database
HEADER 6O3W_COMPLEX COMPND 6O3W_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 78 MET ASP PHE GLN ASN PHE VAL ALA THR LEU GLU SER PHE SEQRES 2 A 78 LYS ASP LEU LYS SER GLY ILE SER GLY SER ARG ILE LYS SEQRES 3 A 78 LYS LEU THR THR TYR ALA LEU ASP HIS ILE ASP ILE GLU SEQRES 4 A 78 SER LYS ILE ILE SER LEU ILE ILE ASP TYR SER ARG LEU SEQRES 5 A 78 CYS PRO ASP SER HIS LYS LEU GLY SER LEU TYR ILE ILE SEQRES 6 A 78 ASP SER ILE GLY ARG ALA TYR LEU ASP GLU THR ARG SER SEQRES 1 A 64 SER SER ASN LYS PRO GLY THR CYS ALA HIS ALA ILE ASN SEQRES 2 A 64 THR LEU GLY GLU VAL ILE GLN GLU LEU LEU SER ASP ALA SEQRES 3 A 64 ILE ALA LYS SER ASN GLN ASP HIS LYS GLU LYS ILE ARG SEQRES 4 A 64 MET LEU LEU ASP ILE TRP ASP ARG SER GLY LEU PHE GLN SEQRES 5 A 64 LYS SER TYR LEU ASN ALA ILE ARG SER LYS CYS PHE HET ASP A 199 189 ATOM 1 N MET A 5 -32.401 48.936 -43.795 1.00 49.01 N ATOM 2 CA MET A 5 -31.775 48.987 -42.473 1.00 45.16 C ATOM 3 C MET A 5 -30.337 49.494 -42.565 1.00 37.12 C ATOM 4 O MET A 5 -29.530 48.907 -43.275 1.00 40.80 O ATOM 5 CB MET A 5 -31.812 47.603 -41.818 1.00 48.99 C ATOM 6 CG MET A 5 -31.326 47.565 -40.377 1.00 53.29 C ATOM 7 SD MET A 5 -31.529 45.939 -39.596 1.00 54.89 S ATOM 8 CE MET A 5 -30.617 46.178 -38.070 1.00 42.49 C ATOM 9 HN3 MET A 5 -31.860 48.294 -44.409 1.00 0.00 H ATOM 10 HN2 MET A 5 -32.410 49.890 -44.210 1.00 0.00 H ATOM 11 HN1 MET A 5 -33.377 48.588 -43.702 1.00 0.00 H ATOM 12 N ASP A 6 -30.015 50.584 -41.856 1.00 32.22 N ATOM 13 CA ASP A 6 -28.663 51.138 -41.861 1.00 36.32 C ATOM 14 C ASP A 6 -28.022 50.993 -40.479 1.00 30.91 C ATOM 15 O ASP A 6 -28.596 50.409 -39.553 1.00 34.56 O ATOM 16 CB ASP A 6 -28.663 52.595 -42.346 1.00 38.01 C ATOM 17 CG ASP A 6 -29.530 53.523 -41.491 1.00 43.41 C ATOM 18 OD1 ASP A 6 -29.894 53.165 -40.351 1.00 43.24 O ATOM 19 OD2 ASP A 6 -29.846 54.633 -41.975 1.00 44.92 O ATOM 20 H ASP A 6 -30.749 51.050 -41.285 1.00 0.00 H ATOM 21 N PHE A 7 -26.796 51.509 -40.343 1.00 28.21 N ATOM 22 CA PHE A 7 -26.086 51.296 -39.086 1.00 31.20 C ATOM 23 C PHE A 7 -26.811 51.935 -37.909 1.00 32.89 C ATOM 24 O PHE A 7 -26.784 51.389 -36.803 1.00 27.21 O ATOM 25 CB PHE A 7 -24.653 51.817 -39.163 1.00 32.85 C ATOM 26 CG PHE A 7 -23.823 51.457 -37.956 1.00 39.24 C ATOM 27 CD1 PHE A 7 -23.528 50.130 -37.679 1.00 35.72 C ATOM 28 CD2 PHE A 7 -23.354 52.434 -37.093 1.00 41.86 C ATOM 29 CE1 PHE A 7 -22.775 49.781 -36.576 1.00 32.69 C ATOM 30 CE2 PHE A 7 -22.594 52.087 -35.979 1.00 39.19 C ATOM 31 CZ PHE A 7 -22.301 50.752 -35.728 1.00 32.96 C ATOM 32 H PHE A 7 -26.358 52.050 -41.116 1.00 0.00 H ATOM 33 N GLN A 8 -27.484 53.070 -38.122 1.00 29.62 N ATOM 34 CA GLN A 8 -28.242 53.678 -37.030 1.00 35.25 C ATOM 35 C GLN A 8 -29.390 52.781 -36.582 1.00 28.31 C ATOM 36 O GLN A 8 -29.725 52.749 -35.393 1.00 29.27 O ATOM 37 CB GLN A 8 -28.773 55.054 -37.440 1.00 41.51 C ATOM 38 CG GLN A 8 -27.682 56.088 -37.651 1.00 60.73 C ATOM 39 CD GLN A 8 -26.692 56.125 -36.501 1.00 74.04 C ATOM 40 OE1 GLN A 8 -27.077 56.249 -35.335 1.00 81.20 O ATOM 41 NE2 GLN A 8 -25.408 56.003 -36.824 1.00 72.15 N ATOM 42 HE22 GLN A 8 -25.130 55.901 -37.821 1.00 0.00 H ATOM 43 HE21 GLN A 8 -24.682 56.010 -36.080 1.00 0.00 H ATOM 44 H GLN A 8 -27.468 53.518 -39.060 1.00 0.00 H ATOM 45 N ASN A 9 -30.035 52.079 -37.525 1.00 25.19 N ATOM 46 CA ASN A 9 -31.057 51.104 -37.139 1.00 28.39 C ATOM 47 C ASN A 9 -30.446 49.952 -36.354 1.00 29.27 C ATOM 48 O ASN A 9 -31.078 49.412 -35.437 1.00 31.53 O ATOM 49 CB ASN A 9 -31.778 50.539 -38.365 1.00 37.19 C ATOM 50 CG ASN A 9 -32.491 51.599 -39.185 1.00 50.30 C ATOM 51 OD1 ASN A 9 -32.439 51.573 -40.415 1.00 49.86 O ATOM 52 ND2 ASN A 9 -33.169 52.531 -38.511 1.00 52.03 N ATOM 53 HD22 ASN A 9 -33.184 52.513 -37.471 1.00 0.00 H ATOM 54 HD21 ASN A 9 -33.682 53.275 -39.026 1.00 0.00 H ATOM 55 H ASN A 9 -29.810 52.227 -38.529 1.00 0.00 H ATOM 56 N PHE A 10 -29.240 49.524 -36.729 1.00 30.26 N ATOM 57 CA PHE A 10 -28.590 48.446 -35.980 1.00 29.66 C ATOM 58 C PHE A 10 -28.343 48.879 -34.537 1.00 27.42 C ATOM 59 O PHE A 10 -28.686 48.163 -33.587 1.00 29.15 O ATOM 60 CB PHE A 10 -27.283 48.044 -36.674 1.00 28.68 C ATOM 61 CG PHE A 10 -26.513 46.965 -35.951 1.00 28.04 C ATOM 62 CD1 PHE A 10 -26.790 45.631 -36.181 1.00 31.18 C ATOM 63 CD2 PHE A 10 -25.507 47.290 -35.053 1.00 31.26 C ATOM 64 CE1 PHE A 10 -26.072 44.626 -35.524 1.00 36.65 C ATOM 65 CE2 PHE A 10 -24.790 46.292 -34.387 1.00 25.87 C ATOM 66 CZ PHE A 10 -25.080 44.964 -34.625 1.00 29.47 C ATOM 67 H PHE A 10 -28.764 49.953 -37.548 1.00 0.00 H ATOM 68 N VAL A 11 -27.786 50.078 -34.358 1.00 25.00 N ATOM 69 CA VAL A 11 -27.610 50.650 -33.021 1.00 28.54 C ATOM 70 C VAL A 11 -28.938 50.707 -32.273 1.00 25.88 C ATOM 71 O VAL A 11 -29.049 50.269 -31.119 1.00 29.15 O ATOM 72 CB VAL A 11 -26.973 52.047 -33.122 1.00 29.22 C ATOM 73 CG1 VAL A 11 -26.934 52.692 -31.745 1.00 32.16 C ATOM 74 CG2 VAL A 11 -25.581 51.945 -33.729 1.00 28.36 C ATOM 75 H VAL A 11 -27.469 50.619 -35.187 1.00 0.00 H ATOM 76 N ALA A 12 -29.969 51.253 -32.914 1.00 27.15 N ATOM 77 CA ALA A 12 -31.247 51.400 -32.226 1.00 32.81 C ATOM 78 C ALA A 12 -31.829 50.043 -31.859 1.00 28.86 C ATOM 79 O ALA A 12 -32.386 49.869 -30.769 1.00 31.58 O ATOM 80 CB ALA A 12 -32.222 52.204 -33.091 1.00 36.93 C ATOM 81 H ALA A 12 -29.864 51.572 -33.898 1.00 0.00 H ATOM 82 N THR A 13 -31.687 49.056 -32.743 1.00 29.11 N ATOM 83 CA THR A 13 -32.240 47.735 -32.459 1.00 30.25 C ATOM 84 C THR A 13 -31.530 47.089 -31.273 1.00 31.80 C ATOM 85 O THR A 13 -32.171 46.508 -30.389 1.00 32.15 O ATOM 86 CB THR A 13 -32.118 46.841 -33.693 1.00 31.65 C ATOM 87 OG1 THR A 13 -32.837 47.424 -34.781 1.00 31.11 O ATOM 88 CG2 THR A 13 -32.674 45.457 -33.400 1.00 30.04 C ATOM 89 HG1 THR A 13 -32.461 48.317 -34.983 1.00 0.00 H ATOM 90 H THR A 13 -31.182 49.227 -33.636 1.00 0.00 H ATOM 91 N LEU A 14 -30.200 47.165 -31.252 1.00 30.21 N ATOM 92 CA LEU A 14 -29.439 46.638 -30.126 1.00 33.43 C ATOM 93 C LEU A 14 -29.835 47.343 -28.837 1.00 40.38 C ATOM 94 O LEU A 14 -30.078 46.707 -27.802 1.00 39.49 O ATOM 95 CB LEU A 14 -27.949 46.809 -30.410 1.00 30.42 C ATOM 96 CG LEU A 14 -26.952 46.190 -29.459 1.00 32.65 C ATOM 97 CD1 LEU A 14 -27.281 44.716 -29.320 1.00 24.57 C ATOM 98 CD2 LEU A 14 -25.570 46.376 -30.031 1.00 31.24 C ATOM 99 H LEU A 14 -29.698 47.606 -32.049 1.00 0.00 H ATOM 100 N GLU A 15 -29.940 48.666 -28.902 1.00 35.27 N ATOM 101 CA GLU A 15 -30.299 49.467 -27.741 1.00 36.33 C ATOM 102 C GLU A 15 -31.681 49.104 -27.218 1.00 43.25 C ATOM 103 O GLU A 15 -31.934 49.197 -26.013 1.00 44.63 O ATOM 104 CB GLU A 15 -30.228 50.945 -28.131 1.00 42.29 C ATOM 105 CG GLU A 15 -30.423 51.931 -27.010 1.00 54.25 C ATOM 106 CD GLU A 15 -30.211 53.374 -27.464 1.00 55.93 C ATOM 107 OE1 GLU A 15 -29.999 53.610 -28.683 1.00 43.18 O ATOM 108 OE2 GLU A 15 -30.262 54.269 -26.589 1.00 60.19 O ATOM 109 H GLU A 15 -29.760 49.143 -29.809 1.00 0.00 H ATOM 110 N SER A 16 -32.581 48.666 -28.101 1.00 36.52 N ATOM 111 CA SER A 16 -33.940 48.348 -27.683 1.00 36.42 C ATOM 112 C SER A 16 -34.005 47.120 -26.789 1.00 38.89 C ATOM 113 O SER A 16 -35.045 46.884 -26.162 1.00 40.57 O ATOM 114 CB SER A 16 -34.826 48.122 -28.904 1.00 40.91 C ATOM 115 OG SER A 16 -34.593 46.826 -29.444 1.00 45.07 O ATOM 116 HG SER A 16 -33.643 46.747 -29.712 1.00 0.00 H ATOM 117 H SER A 16 -32.309 48.550 -29.098 1.00 0.00 H ATOM 118 N PHE A 17 -32.938 46.325 -26.726 1.00 31.80 N ATOM 119 CA PHE A 17 -32.956 45.166 -25.846 1.00 37.59 C ATOM 120 C PHE A 17 -33.161 45.567 -24.390 1.00 44.09 C ATOM 121 O PHE A 17 -33.572 44.727 -23.583 1.00 41.82 O ATOM 122 CB PHE A 17 -31.663 44.361 -26.011 1.00 33.59 C ATOM 123 CG PHE A 17 -31.663 43.441 -27.202 1.00 37.76 C ATOM 124 CD1 PHE A 17 -31.609 43.953 -28.491 1.00 32.48 C ATOM 125 CD2 PHE A 17 -31.700 42.054 -27.032 1.00 33.53 C ATOM 126 CE1 PHE A 17 -31.607 43.119 -29.586 1.00 34.59 C ATOM 127 CE2 PHE A 17 -31.705 41.206 -28.125 1.00 33.39 C ATOM 128 CZ PHE A 17 -31.657 41.734 -29.407 1.00 39.92 C ATOM 129 H PHE A 17 -32.097 46.531 -27.302 1.00 0.00 H ATOM 130 N LYS A 18 -32.911 46.838 -24.039 1.00 42.95 N ATOM 131 CA LYS A 18 -33.139 47.296 -22.673 1.00 39.87 C ATOM 132 C LYS A 18 -34.604 47.208 -22.272 1.00 46.84 C ATOM 133 O LYS A 18 -34.899 47.138 -21.077 1.00 54.67 O ATOM 134 CB LYS A 18 -32.648 48.734 -22.490 1.00 43.15 C ATOM 135 CG LYS A 18 -33.446 49.788 -23.262 1.00 56.35 C ATOM 136 CD LYS A 18 -33.019 51.198 -22.849 1.00 65.44 C ATOM 137 CE LYS A 18 -33.148 52.205 -23.984 1.00 76.99 C ATOM 138 NZ LYS A 18 -34.559 52.423 -24.390 1.00 84.26 N ATOM 139 HZ1 LYS A 18 -34.969 51.523 -24.711 1.00 0.00 H ATOM 140 HZ2 LYS A 18 -35.100 52.782 -23.578 1.00 0.00 H ATOM 141 HZ3 LYS A 18 -34.592 53.116 -25.165 1.00 0.00 H ATOM 142 H LYS A 18 -32.550 47.505 -24.750 1.00 0.00 H ATOM 143 N ASP A 19 -35.523 47.195 -23.236 1.00 45.93 N ATOM 144 CA ASP A 19 -36.951 47.159 -22.955 1.00 52.03 C ATOM 145 C ASP A 19 -37.509 45.745 -22.886 1.00 57.52 C ATOM 146 O ASP A 19 -38.716 45.581 -22.684 1.00 62.46 O ATOM 147 CB ASP A 19 -37.718 47.964 -24.013 1.00 60.01 C ATOM 148 CG ASP A 19 -37.279 49.427 -24.072 1.00 72.47 C ATOM 149 OD1 ASP A 19 -36.919 49.994 -23.016 1.00 75.65 O ATOM 150 OD2 ASP A 19 -37.291 50.008 -25.181 1.00 76.62 O ATOM 151 H ASP A 19 -35.208 47.211 -24.227 1.00 0.00 H ATOM 152 N LEU A 20 -36.675 44.725 -23.067 1.00 60.99 N ATOM 153 CA LEU A 20 -37.076 43.334 -22.890 1.00 55.40 C ATOM 154 C LEU A 20 -36.687 42.888 -21.489 1.00 59.03 C ATOM 155 O LEU A 20 -35.523 43.024 -21.099 1.00 52.34 O ATOM 156 CB LEU A 20 -36.406 42.431 -23.925 1.00 48.86 C ATOM 157 CG LEU A 20 -36.604 42.792 -25.396 1.00 47.33 C ATOM 158 CD1 LEU A 20 -35.581 42.056 -26.244 1.00 48.53 C ATOM 159 CD2 LEU A 20 -38.019 42.458 -25.846 1.00 43.44 C ATOM 160 H LEU A 20 -35.694 44.928 -23.347 1.00 0.00 H ATOM 161 N LYS A 21 -37.658 42.360 -20.736 1.00 61.78 N ATOM 162 CA LYS A 21 -37.377 41.929 -19.368 1.00 61.53 C ATOM 163 C LYS A 21 -36.255 40.901 -19.342 1.00 55.67 C ATOM 164 O LYS A 21 -35.334 40.987 -18.521 1.00 54.82 O ATOM 165 CB LYS A 21 -38.637 41.356 -18.717 1.00 64.82 C ATOM 166 CG LYS A 21 -38.406 40.845 -17.299 1.00 74.04 C ATOM 167 CD LYS A 21 -39.715 40.466 -16.616 1.00 82.85 C ATOM 168 CE LYS A 21 -39.543 40.328 -15.106 1.00 84.54 C ATOM 169 NZ LYS A 21 -38.702 39.158 -14.738 1.00 84.31 N ATOM 170 HZ1 LYS A 21 -39.147 38.288 -15.093 1.00 0.00 H ATOM 171 HZ2 LYS A 21 -37.758 39.264 -15.162 1.00 0.00 H ATOM 172 HZ3 LYS A 21 -38.615 39.107 -13.703 1.00 0.00 H ATOM 173 H LYS A 21 -38.617 42.256 -21.125 1.00 0.00 H ATOM 174 N SER A 22 -36.313 39.931 -20.256 1.00 48.29 N ATOM 175 CA SER A 22 -35.330 38.863 -20.344 1.00 51.23 C ATOM 176 C SER A 22 -34.040 39.299 -21.024 1.00 52.02 C ATOM 177 O SER A 22 -33.034 38.578 -20.948 1.00 46.13 O ATOM 178 CB SER A 22 -35.930 37.695 -21.125 1.00 51.82 C ATOM 179 OG SER A 22 -36.316 38.150 -22.418 1.00 50.71 O ATOM 180 HG SER A 22 -36.988 38.871 -22.326 1.00 0.00 H ATOM 181 H SER A 22 -37.098 39.939 -20.938 1.00 0.00 H ATOM 182 N GLY A 23 -34.054 40.443 -21.705 1.00 44.12 N ATOM 183 CA GLY A 23 -32.943 40.819 -22.550 1.00 36.30 C ATOM 184 C GLY A 23 -32.770 39.951 -23.774 1.00 38.44 C ATOM 185 O GLY A 23 -31.697 39.960 -24.372 1.00 36.20 O ATOM 186 H GLY A 23 -34.876 41.075 -21.628 1.00 0.00 H ATOM 187 N ILE A 24 -33.790 39.188 -24.168 1.00 36.34 N ATOM 188 CA ILE A 24 -33.652 38.199 -25.234 1.00 35.10 C ATOM 189 C ILE A 24 -34.842 38.294 -26.168 1.00 40.10 C ATOM 190 O ILE A 24 -35.992 38.300 -25.718 1.00 47.20 O ATOM 191 CB ILE A 24 -33.538 36.766 -24.685 1.00 34.16 C ATOM 192 CG1 ILE A 24 -32.253 36.615 -23.876 1.00 39.28 C ATOM 193 CG2 ILE A 24 -33.613 35.743 -25.832 1.00 31.40 C ATOM 194 CD1 ILE A 24 -32.211 35.372 -23.012 1.00 37.05 C ATOM 195 H ILE A 24 -34.713 39.301 -23.702 1.00 0.00 H ATOM 196 N SER A 25 -34.564 38.337 -27.463 1.00 39.25 N ATOM 197 CA SER A 25 -35.606 38.206 -28.470 1.00 38.80 C ATOM 198 C SER A 25 -35.008 37.508 -29.676 1.00 41.38 C ATOM 199 O SER A 25 -34.089 38.047 -30.305 1.00 32.47 O ATOM 200 CB SER A 25 -36.169 39.565 -28.868 1.00 37.24 C ATOM 201 OG SER A 25 -36.842 39.457 -30.102 1.00 36.64 O ATOM 202 HG SER A 25 -37.583 38.806 -30.017 1.00 0.00 H ATOM 203 H SER A 25 -33.578 38.467 -27.767 1.00 0.00 H ATOM 204 N GLY A 26 -35.538 36.322 -29.993 1.00 37.02 N ATOM 205 CA GLY A 26 -35.034 35.578 -31.133 1.00 31.87 C ATOM 206 C GLY A 26 -35.135 36.349 -32.435 1.00 27.95 C ATOM 207 O GLY A 26 -34.191 36.368 -33.229 1.00 33.11 O ATOM 208 H GLY A 26 -36.314 35.931 -29.421 1.00 0.00 H ATOM 209 N SER A 27 -36.278 36.995 -32.679 1.00 31.97 N ATOM 210 CA SER A 27 -36.447 37.716 -33.937 1.00 29.56 C ATOM 211 C SER A 27 -35.532 38.937 -34.007 1.00 34.31 C ATOM 212 O SER A 27 -34.958 39.225 -35.063 1.00 38.01 O ATOM 213 CB SER A 27 -37.910 38.122 -34.124 1.00 38.68 C ATOM 214 OG SER A 27 -38.327 38.992 -33.086 1.00 43.51 O ATOM 215 HG SER A 27 -38.231 38.533 -32.214 1.00 0.00 H ATOM 216 H SER A 27 -37.044 36.984 -31.976 1.00 0.00 H ATOM 217 N ARG A 28 -35.377 39.671 -32.902 1.00 29.46 N ATOM 218 CA ARG A 28 -34.473 40.824 -32.929 1.00 35.37 C ATOM 219 C ARG A 28 -33.016 40.394 -33.090 1.00 31.71 C ATOM 220 O ARG A 28 -32.248 41.043 -33.813 1.00 31.61 O ATOM 221 CB ARG A 28 -34.649 41.673 -31.671 1.00 37.63 C ATOM 222 CG ARG A 28 -35.251 43.027 -31.952 1.00 47.87 C ATOM 223 CD ARG A 28 -35.446 43.852 -30.685 1.00 47.25 C ATOM 224 NE ARG A 28 -36.801 43.740 -30.160 1.00 46.90 N ATOM 225 CZ ARG A 28 -37.256 44.440 -29.129 1.00 52.34 C ATOM 226 NH1 ARG A 28 -36.462 45.309 -28.512 1.00 45.08 N ATOM 227 NH2 ARG A 28 -38.505 44.275 -28.719 1.00 60.42 N ATOM 228 HE ARG A 28 -37.450 43.071 -30.621 1.00 0.00 H ATOM 229 HH12 ARG A 28 -36.820 45.857 -27.704 1.00 0.00 H ATOM 230 HH11 ARG A 28 -35.483 45.441 -28.837 1.00 0.00 H ATOM 231 HH22 ARG A 28 -38.864 44.823 -27.911 1.00 0.00 H ATOM 232 HH21 ARG A 28 -39.127 43.598 -29.205 1.00 0.00 H ATOM 233 H ARG A 28 -35.892 39.427 -32.032 1.00 0.00 H ATOM 234 N ILE A 29 -32.611 39.311 -32.421 1.00 30.44 N ATOM 235 CA ILE A 29 -31.264 38.782 -32.631 1.00 33.38 C ATOM 236 C ILE A 29 -31.068 38.386 -34.088 1.00 31.76 C ATOM 237 O ILE A 29 -30.022 38.664 -34.685 1.00 30.02 O ATOM 238 CB ILE A 29 -30.991 37.602 -31.681 1.00 29.22 C ATOM 239 CG1 ILE A 29 -30.796 38.112 -30.261 1.00 28.19 C ATOM 240 CG2 ILE A 29 -29.737 36.829 -32.107 1.00 21.76 C ATOM 241 CD1 ILE A 29 -30.794 37.004 -29.233 1.00 34.55 C ATOM 242 H ILE A 29 -33.254 38.844 -31.750 1.00 0.00 H ATOM 243 N LYS A 30 -32.079 37.755 -34.696 1.00 28.79 N ATOM 244 CA LYS A 30 -31.963 37.418 -36.109 1.00 31.73 C ATOM 245 C LYS A 30 -31.795 38.672 -36.954 1.00 30.09 C ATOM 246 O LYS A 30 -30.957 38.715 -37.866 1.00 32.46 O ATOM 247 CB LYS A 30 -33.185 36.623 -36.572 1.00 48.95 C ATOM 248 CG LYS A 30 -32.979 35.951 -37.921 1.00 64.08 C ATOM 249 CD LYS A 30 -34.245 35.258 -38.421 1.00 75.42 C ATOM 250 CE LYS A 30 -34.740 35.895 -39.716 1.00 80.38 C ATOM 251 NZ LYS A 30 -35.923 35.192 -40.292 1.00 84.25 N ATOM 252 HZ1 LYS A 30 -35.671 34.205 -40.500 1.00 0.00 H ATOM 253 HZ2 LYS A 30 -36.705 35.215 -39.607 1.00 0.00 H ATOM 254 HZ3 LYS A 30 -36.215 35.668 -41.169 1.00 0.00 H ATOM 255 H LYS A 30 -32.939 37.508 -34.166 1.00 0.00 H ATOM 256 N LYS A 31 -32.571 39.716 -36.655 1.00 32.19 N ATOM 257 CA LYS A 31 -32.432 40.968 -37.386 1.00 27.69 C ATOM 258 C LYS A 31 -31.009 41.522 -37.276 1.00 25.04 C ATOM 259 O LYS A 31 -30.438 41.987 -38.269 1.00 31.96 O ATOM 260 CB LYS A 31 -33.476 41.968 -36.874 1.00 27.15 C ATOM 261 CG LYS A 31 -33.329 43.373 -37.414 1.00 36.40 C ATOM 262 CD LYS A 31 -34.516 44.211 -36.974 1.00 43.29 C ATOM 263 CE LYS A 31 -34.406 45.635 -37.465 1.00 47.33 C ATOM 264 NZ LYS A 31 -35.164 46.518 -36.545 1.00 48.17 N ATOM 265 HZ1 LYS A 31 -36.162 46.226 -36.530 1.00 0.00 H ATOM 266 HZ2 LYS A 31 -34.765 46.443 -35.587 1.00 0.00 H ATOM 267 HZ3 LYS A 31 -35.094 47.502 -36.875 1.00 0.00 H ATOM 268 H LYS A 31 -33.278 39.635 -35.897 1.00 0.00 H ATOM 269 N LEU A 32 -30.413 41.475 -36.085 1.00 32.00 N ATOM 270 CA LEU A 32 -29.039 41.962 -35.932 1.00 34.28 C ATOM 271 C LEU A 32 -28.057 41.101 -36.715 1.00 33.81 C ATOM 272 O LEU A 32 -27.081 41.614 -37.284 1.00 30.83 O ATOM 273 CB LEU A 32 -28.638 41.977 -34.455 1.00 29.68 C ATOM 274 CG LEU A 32 -29.386 42.892 -33.488 1.00 30.25 C ATOM 275 CD1 LEU A 32 -28.968 42.514 -32.083 1.00 29.01 C ATOM 276 CD2 LEU A 32 -29.081 44.379 -33.777 1.00 23.24 C ATOM 277 H LEU A 32 -30.923 41.092 -35.263 1.00 0.00 H ATOM 278 N THR A 33 -28.289 39.784 -36.728 1.00 25.97 N ATOM 279 CA THR A 33 -27.399 38.854 -37.422 1.00 31.62 C ATOM 280 C THR A 33 -27.485 39.036 -38.931 1.00 28.70 C ATOM 281 O THR A 33 -26.463 39.080 -39.625 1.00 29.02 O ATOM 282 CB THR A 33 -27.761 37.416 -37.043 1.00 30.21 C ATOM 283 OG1 THR A 33 -27.819 37.293 -35.613 1.00 31.88 O ATOM 284 CG2 THR A 33 -26.733 36.434 -37.603 1.00 31.82 C ATOM 285 HG1 THR A 33 -28.053 36.362 -35.372 1.00 0.00 H ATOM 286 H THR A 33 -29.124 39.412 -36.232 1.00 0.00 H ATOM 287 N THR A 34 -28.704 39.134 -39.461 1.00 30.07 N ATOM 288 CA THR A 34 -28.858 39.427 -40.878 1.00 32.44 C ATOM 289 C THR A 34 -28.115 40.704 -41.236 1.00 32.45 C ATOM 290 O THR A 34 -27.379 40.758 -42.229 1.00 31.41 O ATOM 291 CB THR A 34 -30.344 39.535 -41.231 1.00 36.33 C ATOM 292 OG1 THR A 34 -30.954 38.243 -41.126 1.00 46.51 O ATOM 293 CG2 THR A 34 -30.524 40.055 -42.637 1.00 37.17 C ATOM 294 HG1 THR A 34 -30.858 37.908 -40.199 1.00 0.00 H ATOM 295 H THR A 34 -29.544 39.001 -38.863 1.00 0.00 H ATOM 296 N TYR A 35 -28.262 41.740 -40.411 1.00 31.52 N ATOM 297 CA TYR A 35 -27.508 42.957 -40.661 1.00 28.12 C ATOM 298 C TYR A 35 -26.005 42.684 -40.646 1.00 24.89 C ATOM 299 O TYR A 35 -25.270 43.135 -41.535 1.00 25.41 O ATOM 300 CB TYR A 35 -27.869 44.032 -39.633 1.00 30.17 C ATOM 301 CG TYR A 35 -27.190 45.328 -39.975 1.00 30.92 C ATOM 302 CD1 TYR A 35 -25.909 45.593 -39.522 1.00 29.02 C ATOM 303 CD2 TYR A 35 -27.804 46.255 -40.807 1.00 30.26 C ATOM 304 CE1 TYR A 35 -25.271 46.754 -39.849 1.00 30.26 C ATOM 305 CE2 TYR A 35 -27.174 47.429 -41.138 1.00 33.64 C ATOM 306 CZ TYR A 35 -25.907 47.671 -40.658 1.00 30.33 C ATOM 307 OH TYR A 35 -25.251 48.820 -40.991 1.00 28.91 O ATOM 308 HH TYR A 35 -25.144 48.864 -41.974 1.00 0.00 H ATOM 309 H TYR A 35 -28.908 41.678 -39.598 1.00 0.00 H ATOM 310 N ALA A 36 -25.521 41.963 -39.629 1.00 26.29 N ATOM 311 CA ALA A 36 -24.088 41.676 -39.560 1.00 30.11 C ATOM 312 C ALA A 36 -23.620 40.928 -40.803 1.00 32.37 C ATOM 313 O ALA A 36 -22.535 41.199 -41.331 1.00 29.58 O ATOM 314 CB ALA A 36 -23.765 40.871 -38.298 1.00 28.61 C ATOM 315 H ALA A 36 -26.161 41.608 -38.890 1.00 0.00 H ATOM 316 N LEU A 37 -24.444 40.002 -41.304 1.00 27.41 N ATOM 317 CA LEU A 37 -24.051 39.222 -42.472 1.00 36.60 C ATOM 318 C LEU A 37 -24.038 40.078 -43.728 1.00 42.41 C ATOM 319 O LEU A 37 -23.200 39.870 -44.617 1.00 34.60 O ATOM 320 CB LEU A 37 -25.000 38.036 -42.643 1.00 34.46 C ATOM 321 CG LEU A 37 -24.767 36.865 -41.689 1.00 40.69 C ATOM 322 CD1 LEU A 37 -25.956 35.901 -41.687 1.00 36.90 C ATOM 323 CD2 LEU A 37 -23.479 36.128 -42.067 1.00 42.71 C ATOM 324 H LEU A 37 -25.369 39.837 -40.859 1.00 0.00 H ATOM 325 N ASP A 38 -24.935 41.063 -43.802 1.00 35.30 N ATOM 326 CA ASP A 38 -25.086 41.901 -44.983 1.00 34.80 C ATOM 327 C ASP A 38 -24.139 43.091 -44.997 1.00 39.57 C ATOM 328 O ASP A 38 -24.109 43.828 -45.990 1.00 41.08 O ATOM 329 CB ASP A 38 -26.541 42.392 -45.093 1.00 29.59 C ATOM 330 CG ASP A 38 -27.509 41.284 -45.488 1.00 47.52 C ATOM 331 OD1 ASP A 38 -27.048 40.160 -45.833 1.00 45.40 O ATOM 332 OD2 ASP A 38 -28.736 41.536 -45.448 1.00 52.75 O ATOM 333 H ASP A 38 -25.551 41.239 -42.983 1.00 0.00 H ATOM 334 N HIS A 39 -23.367 43.304 -43.932 1.00 36.39 N ATOM 335 CA HIS A 39 -22.483 44.468 -43.844 1.00 36.55 C ATOM 336 C HIS A 39 -21.138 44.063 -43.255 1.00 36.69 C ATOM 337 O HIS A 39 -20.590 44.726 -42.374 1.00 28.58 O ATOM 338 CB HIS A 39 -23.136 45.589 -43.033 1.00 25.20 C ATOM 339 CG HIS A 39 -24.381 46.122 -43.666 1.00 28.97 C ATOM 340 ND1 HIS A 39 -25.612 45.518 -43.514 1.00 32.48 N ATOM 341 CD2 HIS A 39 -24.580 47.178 -44.492 1.00 31.57 C ATOM 342 CE1 HIS A 39 -26.518 46.184 -44.210 1.00 28.14 C ATOM 343 NE2 HIS A 39 -25.917 47.196 -44.810 1.00 34.73 N ATOM 344 H HIS A 39 -23.393 42.626 -43.143 1.00 0.00 H ATOM 345 N ILE A 40 -20.584 42.962 -43.762 1.00 37.73 N ATOM 346 CA ILE A 40 -19.303 42.476 -43.262 1.00 30.42 C ATOM 347 C ILE A 40 -18.218 43.503 -43.530 1.00 34.88 C ATOM 348 O ILE A 40 -17.215 43.567 -42.810 1.00 31.92 O ATOM 349 CB ILE A 40 -18.982 41.099 -43.886 1.00 30.98 C ATOM 350 CG1 ILE A 40 -20.085 40.098 -43.538 1.00 35.54 C ATOM 351 CG2 ILE A 40 -17.652 40.582 -43.388 1.00 32.16 C ATOM 352 CD1 ILE A 40 -20.000 38.779 -44.288 1.00 36.43 C ATOM 353 H ILE A 40 -21.070 42.444 -44.522 1.00 0.00 H ATOM 354 N ASP A 41 -18.421 44.364 -44.527 1.00 41.25 N ATOM 355 CA ASP A 41 -17.466 45.440 -44.766 1.00 41.47 C ATOM 356 C ASP A 41 -17.277 46.330 -43.538 1.00 39.46 C ATOM 357 O ASP A 41 -16.205 46.920 -43.361 1.00 40.57 O ATOM 358 CB ASP A 41 -17.910 46.261 -45.982 1.00 53.53 C ATOM 359 CG ASP A 41 -19.404 46.589 -45.967 1.00 60.61 C ATOM 360 OD1 ASP A 41 -19.758 47.772 -45.751 1.00 56.06 O ATOM 361 OD2 ASP A 41 -20.220 45.662 -46.187 1.00 63.89 O ATOM 362 H ASP A 41 -19.260 44.269 -45.134 1.00 0.00 H ATOM 363 N ILE A 42 -18.274 46.420 -42.655 1.00 33.41 N ATOM 364 CA ILE A 42 -18.079 47.234 -41.453 1.00 34.78 C ATOM 365 C ILE A 42 -18.145 46.358 -40.203 1.00 34.71 C ATOM 366 O ILE A 42 -18.628 46.790 -39.148 1.00 30.10 O ATOM 367 CB ILE A 42 -19.096 48.394 -41.381 1.00 36.98 C ATOM 368 CG1 ILE A 42 -20.536 47.885 -41.491 1.00 30.93 C ATOM 369 CG2 ILE A 42 -18.839 49.396 -42.503 1.00 37.84 C ATOM 370 CD1 ILE A 42 -21.565 48.861 -40.892 1.00 26.56 C ATOM 371 H ILE A 42 -19.172 45.922 -42.817 1.00 0.00 H ATOM 372 N GLU A 43 -17.625 45.132 -40.296 1.00 32.06 N ATOM 373 CA GLU A 43 -17.702 44.237 -39.144 1.00 29.70 C ATOM 374 C GLU A 43 -16.999 44.823 -37.929 1.00 26.25 C ATOM 375 O GLU A 43 -17.441 44.603 -36.799 1.00 31.35 O ATOM 376 CB GLU A 43 -17.135 42.844 -39.490 1.00 26.50 C ATOM 377 CG GLU A 43 -15.735 42.810 -40.083 1.00 30.05 C ATOM 378 CD GLU A 43 -14.636 42.937 -39.047 1.00 35.35 C ATOM 379 OE1 GLU A 43 -14.903 42.717 -37.843 1.00 36.98 O ATOM 380 OE2 GLU A 43 -13.489 43.236 -39.443 1.00 36.71 O ATOM 381 H GLU A 43 -17.171 44.818 -41.177 1.00 0.00 H ATOM 382 N SER A 44 -15.934 45.608 -38.133 1.00 27.67 N ATOM 383 CA SER A 44 -15.204 46.152 -36.993 1.00 33.94 C ATOM 384 C SER A 44 -16.109 46.982 -36.088 1.00 28.61 C ATOM 385 O SER A 44 -16.022 46.871 -34.859 1.00 22.72 O ATOM 386 CB SER A 44 -14.015 46.991 -37.468 1.00 48.52 C ATOM 387 OG SER A 44 -12.998 46.153 -37.993 1.00 63.30 O ATOM 388 HG SER A 44 -13.358 45.639 -38.759 1.00 0.00 H ATOM 389 H SER A 44 -15.628 45.830 -39.102 1.00 0.00 H ATOM 390 N LYS A 45 -16.979 47.818 -36.682 1.00 28.26 N ATOM 391 CA LYS A 45 -17.904 48.644 -35.903 1.00 33.77 C ATOM 392 C LYS A 45 -19.017 47.809 -35.288 1.00 28.15 C ATOM 393 O LYS A 45 -19.443 48.085 -34.165 1.00 27.00 O ATOM 394 CB LYS A 45 -18.530 49.739 -36.779 1.00 27.66 C ATOM 395 CG LYS A 45 -17.720 51.005 -36.897 1.00 60.17 C ATOM 396 CD LYS A 45 -17.661 51.470 -38.345 1.00 76.40 C ATOM 397 CE LYS A 45 -19.033 51.464 -39.008 1.00 85.42 C ATOM 398 NZ LYS A 45 -18.929 51.919 -40.423 1.00 95.47 N ATOM 399 HZ1 LYS A 45 -18.545 52.885 -40.448 1.00 0.00 H ATOM 400 HZ2 LYS A 45 -18.297 51.280 -40.946 1.00 0.00 H ATOM 401 HZ3 LYS A 45 -19.873 51.909 -40.859 1.00 0.00 H ATOM 402 H LYS A 45 -16.995 47.879 -37.720 1.00 0.00 H ATOM 403 N ILE A 46 -19.541 46.831 -36.035 1.00 30.11 N ATOM 404 CA ILE A 46 -20.570 45.931 -35.503 1.00 29.13 C ATOM 405 C ILE A 46 -20.034 45.154 -34.305 1.00 25.42 C ATOM 406 O ILE A 46 -20.684 45.064 -33.259 1.00 24.35 O ATOM 407 CB ILE A 46 -21.075 44.983 -36.609 1.00 28.92 C ATOM 408 CG1 ILE A 46 -21.734 45.774 -37.739 1.00 28.40 C ATOM 409 CG2 ILE A 46 -22.038 43.918 -36.046 1.00 25.41 C ATOM 410 CD1 ILE A 46 -21.983 44.970 -38.991 1.00 35.45 C ATOM 411 H ILE A 46 -19.212 46.706 -37.014 1.00 0.00 H ATOM 412 N ILE A 47 -18.843 44.569 -34.444 1.00 23.47 N ATOM 413 CA ILE A 47 -18.317 43.704 -33.395 1.00 29.87 C ATOM 414 C ILE A 47 -17.991 44.518 -32.146 1.00 29.16 C ATOM 415 O ILE A 47 -18.283 44.091 -31.022 1.00 28.44 O ATOM 416 CB ILE A 47 -17.088 42.931 -33.914 1.00 29.05 C ATOM 417 CG1 ILE A 47 -17.485 41.923 -34.988 1.00 29.11 C ATOM 418 CG2 ILE A 47 -16.363 42.233 -32.786 1.00 26.11 C ATOM 419 CD1 ILE A 47 -18.275 40.708 -34.466 1.00 23.69 C ATOM 420 H ILE A 47 -18.286 44.731 -35.307 1.00 0.00 H ATOM 421 N SER A 48 -17.402 45.707 -32.325 1.00 25.83 N ATOM 422 CA SER A 48 -17.165 46.613 -31.200 1.00 26.15 C ATOM 423 C SER A 48 -18.441 46.905 -30.430 1.00 20.88 C ATOM 424 O SER A 48 -18.439 46.949 -29.195 1.00 28.76 O ATOM 425 CB SER A 48 -16.586 47.945 -31.696 1.00 30.15 C ATOM 426 OG SER A 48 -15.221 47.827 -31.954 1.00 36.92 O ATOM 427 HG SER A 48 -15.076 47.137 -32.649 1.00 0.00 H ATOM 428 H SER A 48 -17.107 45.992 -33.281 1.00 0.00 H ATOM 429 N LEU A 49 -19.532 47.152 -31.152 1.00 25.02 N ATOM 430 CA LEU A 49 -20.796 47.494 -30.516 1.00 29.62 C ATOM 431 C LEU A 49 -21.352 46.334 -29.689 1.00 28.74 C ATOM 432 O LEU A 49 -21.822 46.541 -28.564 1.00 29.38 O ATOM 433 CB LEU A 49 -21.797 47.935 -31.584 1.00 27.62 C ATOM 434 CG LEU A 49 -23.022 48.726 -31.106 1.00 41.29 C ATOM 435 CD1 LEU A 49 -22.634 50.063 -30.440 1.00 33.25 C ATOM 436 CD2 LEU A 49 -23.983 48.973 -32.266 1.00 38.23 C ATOM 437 H LEU A 49 -19.480 47.100 -32.189 1.00 0.00 H ATOM 438 N ILE A 50 -21.328 45.106 -30.229 1.00 27.69 N ATOM 439 CA ILE A 50 -21.930 43.992 -29.483 1.00 23.11 C ATOM 440 C ILE A 50 -21.021 43.554 -28.345 1.00 22.72 C ATOM 441 O ILE A 50 -21.500 43.071 -27.314 1.00 24.19 O ATOM 442 CB ILE A 50 -22.293 42.802 -30.401 1.00 26.10 C ATOM 443 CG1 ILE A 50 -21.050 42.066 -30.906 1.00 25.51 C ATOM 444 CG2 ILE A 50 -23.161 43.258 -31.556 1.00 25.59 C ATOM 445 CD1 ILE A 50 -21.372 40.901 -31.865 1.00 26.02 C ATOM 446 H ILE A 50 -20.891 44.945 -31.159 1.00 0.00 H ATOM 447 N ILE A 51 -19.709 43.730 -28.492 1.00 23.38 N ATOM 448 CA ILE A 51 -18.808 43.583 -27.354 1.00 26.78 C ATOM 449 C ILE A 51 -19.161 44.596 -26.270 1.00 30.67 C ATOM 450 O ILE A 51 -19.302 44.261 -25.087 1.00 29.96 O ATOM 451 CB ILE A 51 -17.348 43.759 -27.806 1.00 30.15 C ATOM 452 CG1 ILE A 51 -16.890 42.591 -28.673 1.00 30.29 C ATOM 453 CG2 ILE A 51 -16.428 43.971 -26.600 1.00 32.28 C ATOM 454 CD1 ILE A 51 -15.487 42.743 -29.171 1.00 27.44 C ATOM 455 H ILE A 51 -19.323 43.974 -29.426 1.00 0.00 H ATOM 456 N ASP A 52 -19.300 45.860 -26.663 1.00 23.92 N ATOM 457 CA ASP A 52 -19.575 46.898 -25.680 1.00 28.16 C ATOM 458 C ASP A 52 -20.992 46.790 -25.130 1.00 26.01 C ATOM 459 O ASP A 52 -21.234 47.146 -23.972 1.00 29.08 O ATOM 460 CB ASP A 52 -19.295 48.266 -26.304 1.00 25.42 C ATOM 461 CG ASP A 52 -17.793 48.497 -26.514 1.00 32.56 C ATOM 462 OD1 ASP A 52 -17.399 49.329 -27.362 1.00 35.15 O ATOM 463 OD2 ASP A 52 -17.000 47.824 -25.821 1.00 34.50 O ATOM 464 H ASP A 52 -19.212 46.106 -27.670 1.00 0.00 H ATOM 465 N TYR A 53 -21.933 46.270 -25.916 1.00 22.88 N ATOM 466 CA TYR A 53 -23.251 45.991 -25.363 1.00 27.91 C ATOM 467 C TYR A 53 -23.161 44.972 -24.234 1.00 34.92 C ATOM 468 O TYR A 53 -23.793 45.130 -23.183 1.00 31.50 O ATOM 469 CB TYR A 53 -24.200 45.491 -26.450 1.00 25.02 C ATOM 470 CG TYR A 53 -25.514 45.073 -25.846 1.00 30.73 C ATOM 471 CD1 TYR A 53 -26.432 46.032 -25.411 1.00 28.38 C ATOM 472 CD2 TYR A 53 -25.824 43.726 -25.666 1.00 25.70 C ATOM 473 CE1 TYR A 53 -27.629 45.661 -24.836 1.00 32.00 C ATOM 474 CE2 TYR A 53 -27.021 43.347 -25.087 1.00 29.48 C ATOM 475 CZ TYR A 53 -27.923 44.313 -24.677 1.00 34.27 C ATOM 476 OH TYR A 53 -29.118 43.929 -24.097 1.00 29.44 O ATOM 477 HH TYR A 53 -29.644 44.735 -23.863 1.00 0.00 H ATOM 478 H TYR A 53 -21.729 46.065 -26.915 1.00 0.00 H ATOM 479 N SER A 54 -22.400 43.894 -24.449 1.00 28.15 N ATOM 480 CA SER A 54 -22.207 42.907 -23.391 1.00 32.25 C ATOM 481 C SER A 54 -21.517 43.519 -22.169 1.00 35.34 C ATOM 482 O SER A 54 -21.851 43.187 -21.021 1.00 31.77 O ATOM 483 CB SER A 54 -21.404 41.719 -23.936 1.00 30.30 C ATOM 484 OG SER A 54 -21.191 40.752 -22.932 1.00 31.83 O ATOM 485 HG SER A 54 -22.064 40.422 -22.603 1.00 0.00 H ATOM 486 H SER A 54 -21.944 43.758 -25.374 1.00 0.00 H ATOM 487 N ARG A 55 -20.556 44.424 -22.391 1.00 31.14 N ATOM 488 CA ARG A 55 -19.889 45.065 -21.257 1.00 35.62 C ATOM 489 C ARG A 55 -20.840 45.940 -20.448 1.00 37.40 C ATOM 490 O ARG A 55 -20.694 46.033 -19.226 1.00 41.02 O ATOM 491 CB ARG A 55 -18.712 45.921 -21.729 1.00 36.30 C ATOM 492 CG ARG A 55 -17.521 45.144 -22.234 1.00 34.53 C ATOM 493 CD ARG A 55 -16.564 46.057 -22.979 1.00 36.98 C ATOM 494 NE ARG A 55 -15.240 45.458 -23.121 1.00 37.40 N ATOM 495 CZ ARG A 55 -14.321 45.878 -23.984 1.00 33.92 C ATOM 496 NH1 ARG A 55 -14.584 46.897 -24.794 1.00 34.88 N ATOM 497 NH2 ARG A 55 -13.146 45.270 -24.048 1.00 34.82 N ATOM 498 HE ARG A 55 -15.001 44.652 -22.508 1.00 0.00 H ATOM 499 HH12 ARG A 55 -13.863 47.224 -25.469 1.00 0.00 H ATOM 500 HH11 ARG A 55 -15.510 47.368 -24.754 1.00 0.00 H ATOM 501 HH22 ARG A 55 -12.427 45.599 -24.723 1.00 0.00 H ATOM 502 HH21 ARG A 55 -12.943 44.464 -23.423 1.00 0.00 H ATOM 503 H ARG A 55 -20.285 44.670 -23.364 1.00 0.00 H ATOM 504 N LEU A 56 -21.813 46.587 -21.097 1.00 32.76 N ATOM 505 CA LEU A 56 -22.554 47.670 -20.463 1.00 36.77 C ATOM 506 C LEU A 56 -24.001 47.339 -20.121 1.00 38.24 C ATOM 507 O LEU A 56 -24.612 48.081 -19.348 1.00 40.48 O ATOM 508 CB LEU A 56 -22.524 48.915 -21.365 1.00 37.56 C ATOM 509 CG LEU A 56 -21.130 49.438 -21.725 1.00 36.05 C ATOM 510 CD1 LEU A 56 -21.173 50.377 -22.915 1.00 32.54 C ATOM 511 CD2 LEU A 56 -20.496 50.114 -20.524 1.00 38.69 C ATOM 512 H LEU A 56 -22.046 46.312 -22.073 1.00 0.00 H ATOM 513 N CYS A 57 -24.570 46.263 -20.659 1.00 35.88 N ATOM 514 CA CYS A 57 -25.981 45.980 -20.423 1.00 41.24 C ATOM 515 C CYS A 57 -26.226 45.562 -18.967 1.00 48.06 C ATOM 516 O CYS A 57 -25.292 45.203 -18.245 1.00 47.29 O ATOM 517 CB CYS A 57 -26.458 44.888 -21.375 1.00 40.88 C ATOM 518 SG CYS A 57 -25.659 43.311 -21.043 1.00 39.12 S ATOM 519 H CYS A 57 -24.005 45.621 -21.251 1.00 0.00 H ATOM 520 N PRO A 58 -27.484 45.605 -18.511 1.00 50.65 N ATOM 521 CA PRO A 58 -27.793 45.174 -17.137 1.00 48.67 C ATOM 522 C PRO A 58 -27.388 43.730 -16.861 1.00 44.94 C ATOM 523 O PRO A 58 -27.298 42.886 -17.759 1.00 45.77 O ATOM 524 CB PRO A 58 -29.314 45.339 -17.043 1.00 43.72 C ATOM 525 CG PRO A 58 -29.655 46.354 -18.072 1.00 42.23 C ATOM 526 CD PRO A 58 -28.642 46.237 -19.173 1.00 41.54 C ATOM 527 N ASP A 59 -27.179 43.444 -15.574 1.00 45.25 N ATOM 528 CA ASP A 59 -26.651 42.140 -15.166 1.00 46.56 C ATOM 529 C ASP A 59 -27.526 40.985 -15.642 1.00 46.62 C ATOM 530 O ASP A 59 -27.010 39.951 -16.082 1.00 49.76 O ATOM 531 CB ASP A 59 -26.499 42.089 -13.649 1.00 53.15 C ATOM 532 CG ASP A 59 -25.405 43.005 -13.146 1.00 65.03 C ATOM 533 OD1 ASP A 59 -24.849 43.782 -13.958 1.00 71.59 O ATOM 534 OD2 ASP A 59 -25.098 42.936 -11.939 1.00 74.46 O ATOM 535 H ASP A 59 -27.394 44.158 -14.849 1.00 0.00 H ATOM 536 N SER A 60 -28.849 41.126 -15.548 1.00 45.77 N ATOM 537 CA SER A 60 -29.709 40.032 -15.981 1.00 55.66 C ATOM 538 C SER A 60 -29.769 39.906 -17.498 1.00 53.23 C ATOM 539 O SER A 60 -30.218 38.869 -17.999 1.00 50.94 O ATOM 540 CB SER A 60 -31.118 40.200 -15.402 1.00 58.62 C ATOM 541 OG SER A 60 -31.732 41.384 -15.872 1.00 61.82 O ATOM 542 HG SER A 60 -32.638 41.462 -15.480 1.00 0.00 H ATOM 543 H SER A 60 -29.261 42.004 -15.171 1.00 0.00 H ATOM 544 N HIS A 61 -29.306 40.915 -18.234 1.00 42.96 N ATOM 545 CA HIS A 61 -29.273 40.859 -19.687 1.00 39.84 C ATOM 546 C HIS A 61 -27.952 40.339 -20.242 1.00 37.03 C ATOM 547 O HIS A 61 -27.812 40.244 -21.463 1.00 38.75 O ATOM 548 CB HIS A 61 -29.569 42.242 -20.271 1.00 47.55 C ATOM 549 CG HIS A 61 -30.954 42.730 -19.981 1.00 48.64 C ATOM 550 ND1 HIS A 61 -31.483 43.864 -20.560 1.00 43.99 N ATOM 551 CD2 HIS A 61 -31.921 42.231 -19.174 1.00 44.85 C ATOM 552 CE1 HIS A 61 -32.717 44.042 -20.120 1.00 46.15 C ATOM 553 NE2 HIS A 61 -33.006 43.066 -19.277 1.00 48.13 N ATOM 554 H HIS A 61 -28.957 41.770 -17.755 1.00 0.00 H ATOM 555 N LYS A 62 -26.994 39.983 -19.384 1.00 41.74 N ATOM 556 CA LYS A 62 -25.700 39.501 -19.863 1.00 32.17 C ATOM 557 C LYS A 62 -25.861 38.264 -20.744 1.00 36.20 C ATOM 558 O LYS A 62 -25.254 38.167 -21.820 1.00 32.61 O ATOM 559 CB LYS A 62 -24.786 39.203 -18.672 1.00 28.78 C ATOM 560 CG LYS A 62 -24.453 40.412 -17.815 1.00 42.57 C ATOM 561 CD LYS A 62 -23.555 41.380 -18.538 1.00 33.13 C ATOM 562 CE LYS A 62 -23.129 42.520 -17.615 1.00 37.07 C ATOM 563 NZ LYS A 62 -22.644 43.682 -18.406 1.00 43.93 N ATOM 564 HZ1 LYS A 62 -21.828 43.392 -18.982 1.00 0.00 H ATOM 565 HZ2 LYS A 62 -23.406 44.019 -19.028 1.00 0.00 H ATOM 566 HZ3 LYS A 62 -22.360 44.445 -17.760 1.00 0.00 H ATOM 567 H LYS A 62 -27.170 40.049 -18.361 1.00 0.00 H ATOM 568 N LEU A 63 -26.701 37.318 -20.315 1.00 34.91 N ATOM 569 CA LEU A 63 -26.925 36.105 -21.100 1.00 36.31 C ATOM 570 C LEU A 63 -27.341 36.442 -22.524 1.00 31.81 C ATOM 571 O LEU A 63 -26.791 35.901 -23.496 1.00 29.62 O ATOM 572 CB LEU A 63 -27.982 35.218 -20.427 1.00 33.75 C ATOM 573 CG LEU A 63 -28.416 33.971 -21.221 1.00 34.51 C ATOM 574 CD1 LEU A 63 -27.277 32.952 -21.378 1.00 32.67 C ATOM 575 CD2 LEU A 63 -29.645 33.298 -20.595 1.00 34.29 C ATOM 576 H LEU A 63 -27.201 37.446 -19.412 1.00 0.00 H ATOM 577 N GLY A 64 -28.307 37.351 -22.667 1.00 33.55 N ATOM 578 CA GLY A 64 -28.743 37.754 -23.991 1.00 27.85 C ATOM 579 C GLY A 64 -27.637 38.383 -24.816 1.00 26.20 C ATOM 580 O GLY A 64 -27.598 38.218 -26.041 1.00 23.13 O ATOM 581 H GLY A 64 -28.750 37.773 -21.826 1.00 0.00 H ATOM 582 N SER A 65 -26.721 39.105 -24.167 1.00 27.88 N ATOM 583 CA SER A 65 -25.597 39.668 -24.908 1.00 23.31 C ATOM 584 C SER A 65 -24.696 38.569 -25.457 1.00 28.38 C ATOM 585 O SER A 65 -24.133 38.713 -26.550 1.00 24.50 O ATOM 586 CB SER A 65 -24.810 40.632 -24.015 1.00 26.89 C ATOM 587 OG SER A 65 -23.923 39.959 -23.125 1.00 27.22 O ATOM 588 HG SER A 65 -24.443 39.356 -22.536 1.00 0.00 H ATOM 589 H SER A 65 -26.808 39.265 -23.143 1.00 0.00 H ATOM 590 N LEU A 66 -24.562 37.460 -24.724 1.00 24.89 N ATOM 591 CA LEU A 66 -23.769 36.347 -25.224 1.00 24.51 C ATOM 592 C LEU A 66 -24.505 35.601 -26.337 1.00 27.12 C ATOM 593 O LEU A 66 -23.869 35.080 -27.257 1.00 29.49 O ATOM 594 CB LEU A 66 -23.408 35.425 -24.063 1.00 26.58 C ATOM 595 CG LEU A 66 -22.617 36.079 -22.922 1.00 28.14 C ATOM 596 CD1 LEU A 66 -22.453 35.101 -21.773 1.00 33.32 C ATOM 597 CD2 LEU A 66 -21.258 36.563 -23.395 1.00 28.22 C ATOM 598 H LEU A 66 -25.025 37.392 -23.795 1.00 0.00 H ATOM 599 N TYR A 67 -25.840 35.577 -26.294 1.00 23.85 N ATOM 600 CA TYR A 67 -26.610 35.038 -27.410 1.00 26.32 C ATOM 601 C TYR A 67 -26.411 35.870 -28.674 1.00 29.49 C ATOM 602 O TYR A 67 -26.322 35.319 -29.781 1.00 29.51 O ATOM 603 CB TYR A 67 -28.099 34.966 -27.046 1.00 28.95 C ATOM 604 CG TYR A 67 -28.474 33.839 -26.094 1.00 30.90 C ATOM 605 CD1 TYR A 67 -27.594 32.790 -25.840 1.00 30.84 C ATOM 606 CD2 TYR A 67 -29.720 33.824 -25.455 1.00 31.05 C ATOM 607 CE1 TYR A 67 -27.940 31.747 -24.976 1.00 37.49 C ATOM 608 CE2 TYR A 67 -30.077 32.784 -24.582 1.00 34.35 C ATOM 609 CZ TYR A 67 -29.183 31.747 -24.354 1.00 37.37 C ATOM 610 OH TYR A 67 -29.516 30.718 -23.488 1.00 38.10 O ATOM 611 HH TYR A 67 -28.769 30.070 -23.444 1.00 0.00 H ATOM 612 H TYR A 67 -26.335 35.946 -25.457 1.00 0.00 H ATOM 613 N ILE A 68 -26.371 37.200 -28.536 1.00 27.42 N ATOM 614 CA ILE A 68 -26.082 38.056 -29.687 1.00 28.80 C ATOM 615 C ILE A 68 -24.730 37.689 -30.288 1.00 25.92 C ATOM 616 O ILE A 68 -24.587 37.531 -31.507 1.00 23.85 O ATOM 617 CB ILE A 68 -26.140 39.544 -29.284 1.00 24.08 C ATOM 618 CG1 ILE A 68 -27.576 39.952 -28.967 1.00 24.17 C ATOM 619 CG2 ILE A 68 -25.581 40.430 -30.397 1.00 18.56 C ATOM 620 CD1 ILE A 68 -27.698 41.281 -28.264 1.00 33.95 C ATOM 621 H ILE A 68 -26.546 37.628 -27.605 1.00 0.00 H ATOM 622 N ILE A 69 -23.717 37.549 -29.432 1.00 24.89 N ATOM 623 CA ILE A 69 -22.390 37.152 -29.879 1.00 27.98 C ATOM 624 C ILE A 69 -22.416 35.742 -30.461 1.00 31.14 C ATOM 625 O ILE A 69 -21.784 35.469 -31.493 1.00 27.61 O ATOM 626 CB ILE A 69 -21.406 37.283 -28.701 1.00 29.20 C ATOM 627 CG1 ILE A 69 -21.071 38.764 -28.461 1.00 24.87 C ATOM 628 CG2 ILE A 69 -20.139 36.479 -28.948 1.00 24.87 C ATOM 629 CD1 ILE A 69 -20.597 39.066 -27.045 1.00 28.10 C ATOM 630 H ILE A 69 -23.879 37.728 -28.420 1.00 0.00 H ATOM 631 N ASP A 70 -23.154 34.825 -29.826 1.00 27.05 N ATOM 632 CA ASP A 70 -23.284 33.483 -30.394 1.00 25.37 C ATOM 633 C ASP A 70 -23.790 33.543 -31.825 1.00 22.47 C ATOM 634 O ASP A 70 -23.205 32.940 -32.735 1.00 24.40 O ATOM 635 CB ASP A 70 -24.233 32.612 -29.565 1.00 22.82 C ATOM 636 CG ASP A 70 -24.468 31.248 -30.222 1.00 27.46 C ATOM 637 OD1 ASP A 70 -23.489 30.473 -30.349 1.00 25.66 O ATOM 638 OD2 ASP A 70 -25.601 30.963 -30.660 1.00 30.87 O ATOM 639 H ASP A 70 -23.632 35.064 -28.934 1.00 0.00 H ATOM 640 N SER A 71 -24.881 34.279 -32.036 1.00 21.52 N ATOM 641 CA SER A 71 -25.554 34.292 -33.331 1.00 29.90 C ATOM 642 C SER A 71 -24.690 34.940 -34.410 1.00 30.47 C ATOM 643 O SER A 71 -24.530 34.392 -35.509 1.00 30.60 O ATOM 644 CB SER A 71 -26.892 35.026 -33.201 1.00 31.54 C ATOM 645 OG SER A 71 -27.650 34.908 -34.391 1.00 30.26 O ATOM 646 HG SER A 71 -28.508 35.389 -34.283 1.00 0.00 H ATOM 647 H SER A 71 -25.262 34.857 -31.260 1.00 0.00 H ATOM 648 N ILE A 72 -24.144 36.124 -34.130 1.00 26.44 N ATOM 649 CA ILE A 72 -23.276 36.763 -35.110 1.00 25.37 C ATOM 650 C ILE A 72 -21.980 35.978 -35.268 1.00 30.75 C ATOM 651 O ILE A 72 -21.525 35.722 -36.391 1.00 31.26 O ATOM 652 CB ILE A 72 -23.021 38.225 -34.712 1.00 27.98 C ATOM 653 CG1 ILE A 72 -24.309 39.036 -34.888 1.00 25.90 C ATOM 654 CG2 ILE A 72 -21.879 38.809 -35.534 1.00 25.56 C ATOM 655 CD1 ILE A 72 -24.217 40.447 -34.298 1.00 32.08 C ATOM 656 H ILE A 72 -24.336 36.588 -33.219 1.00 0.00 H ATOM 657 N GLY A 73 -21.382 35.559 -34.151 1.00 29.08 N ATOM 658 CA GLY A 73 -20.117 34.845 -34.226 1.00 25.60 C ATOM 659 C GLY A 73 -20.200 33.565 -35.041 1.00 25.75 C ATOM 660 O GLY A 73 -19.361 33.315 -35.908 1.00 31.54 O ATOM 661 H GLY A 73 -21.821 35.743 -33.226 1.00 0.00 H ATOM 662 N ARG A 74 -21.213 32.730 -34.778 1.00 29.64 N ATOM 663 CA ARG A 74 -21.315 31.479 -35.534 1.00 25.28 C ATOM 664 C ARG A 74 -21.791 31.714 -36.966 1.00 32.11 C ATOM 665 O ARG A 74 -21.387 30.977 -37.879 1.00 35.13 O ATOM 666 CB ARG A 74 -22.226 30.476 -34.812 1.00 30.37 C ATOM 667 CG ARG A 74 -21.546 29.801 -33.607 1.00 32.78 C ATOM 668 CD ARG A 74 -22.355 28.611 -33.073 1.00 33.34 C ATOM 669 NE ARG A 74 -23.675 29.032 -32.626 1.00 29.94 N ATOM 670 CZ ARG A 74 -24.794 28.841 -33.316 1.00 30.60 C ATOM 671 NH1 ARG A 74 -24.751 28.215 -34.483 1.00 37.35 N ATOM 672 NH2 ARG A 74 -25.950 29.288 -32.838 1.00 28.91 N ATOM 673 HE ARG A 74 -23.747 29.513 -31.707 1.00 0.00 H ATOM 674 HH12 ARG A 74 -25.626 28.064 -35.025 1.00 0.00 H ATOM 675 HH11 ARG A 74 -23.842 27.874 -34.857 1.00 0.00 H ATOM 676 HH22 ARG A 74 -26.827 29.140 -33.376 1.00 0.00 H ATOM 677 HH21 ARG A 74 -25.978 29.786 -31.926 1.00 0.00 H ATOM 678 H ARG A 74 -21.916 32.966 -34.049 1.00 0.00 H ATOM 679 N ALA A 75 -22.627 32.732 -37.195 1.00 31.02 N ATOM 680 CA ALA A 75 -22.956 33.116 -38.567 1.00 37.01 C ATOM 681 C ALA A 75 -21.703 33.508 -39.335 1.00 34.81 C ATOM 682 O ALA A 75 -21.525 33.124 -40.497 1.00 38.33 O ATOM 683 CB ALA A 75 -23.963 34.271 -38.580 1.00 27.79 C ATOM 684 H ALA A 75 -23.044 33.251 -36.396 1.00 0.00 H ATOM 685 N TYR A 76 -20.813 34.257 -38.692 1.00 28.73 N ATOM 686 CA TYR A 76 -19.554 34.609 -39.334 1.00 29.35 C ATOM 687 C TYR A 76 -18.658 33.388 -39.490 1.00 36.09 C ATOM 688 O TYR A 76 -18.030 33.203 -40.541 1.00 38.58 O ATOM 689 CB TYR A 76 -18.853 35.694 -38.526 1.00 35.06 C ATOM 690 CG TYR A 76 -19.322 37.108 -38.835 1.00 30.44 C ATOM 691 CD1 TYR A 76 -20.352 37.352 -39.727 1.00 35.53 C ATOM 692 CD2 TYR A 76 -18.695 38.198 -38.252 1.00 34.28 C ATOM 693 CE1 TYR A 76 -20.754 38.670 -40.020 1.00 38.18 C ATOM 694 CE2 TYR A 76 -19.085 39.494 -38.527 1.00 32.44 C ATOM 695 CZ TYR A 76 -20.109 39.732 -39.414 1.00 36.29 C ATOM 696 OH TYR A 76 -20.475 41.049 -39.669 1.00 36.04 O ATOM 697 HH TYR A 76 -21.219 41.063 -40.322 1.00 0.00 H ATOM 698 H TYR A 76 -21.016 34.592 -37.729 1.00 0.00 H ATOM 699 N LEU A 77 -18.596 32.541 -38.458 1.00 31.33 N ATOM 700 CA LEU A 77 -17.802 31.318 -38.535 1.00 33.81 C ATOM 701 C LEU A 77 -18.223 30.461 -39.722 1.00 39.28 C ATOM 702 O LEU A 77 -17.375 29.964 -40.476 1.00 40.72 O ATOM 703 CB LEU A 77 -17.923 30.535 -37.222 1.00 30.28 C ATOM 704 CG LEU A 77 -17.121 29.232 -37.104 1.00 34.57 C ATOM 705 CD1 LEU A 77 -15.603 29.467 -37.059 1.00 31.23 C ATOM 706 CD2 LEU A 77 -17.594 28.446 -35.882 1.00 40.15 C ATOM 707 H LEU A 77 -19.121 32.756 -37.587 1.00 0.00 H ATOM 708 N ASP A 78 -19.532 30.295 -39.920 1.00 38.47 N ATOM 709 CA ASP A 78 -19.996 29.444 -41.012 1.00 43.56 C ATOM 710 C ASP A 78 -19.574 29.991 -42.369 1.00 50.06 C ATOM 711 O ASP A 78 -19.407 29.220 -43.324 1.00 50.02 O ATOM 712 CB ASP A 78 -21.514 29.275 -40.942 1.00 49.48 C ATOM 713 CG ASP A 78 -21.953 28.451 -39.736 1.00 58.89 C ATOM 714 OD1 ASP A 78 -21.117 27.692 -39.195 1.00 64.08 O ATOM 715 OD2 ASP A 78 -23.129 28.558 -39.327 1.00 62.73 O ATOM 716 H ASP A 78 -20.219 30.770 -39.299 1.00 0.00 H ATOM 717 N GLU A 79 -19.383 31.309 -42.474 1.00 44.41 N ATOM 718 CA GLU A 79 -18.887 31.880 -43.721 1.00 45.52 C ATOM 719 C GLU A 79 -17.411 31.566 -43.935 1.00 49.89 C ATOM 720 O GLU A 79 -16.995 31.275 -45.062 1.00 60.69 O ATOM 721 CB GLU A 79 -19.116 33.392 -43.739 1.00 45.96 C ATOM 722 CG GLU A 79 -20.563 33.795 -43.895 1.00 45.60 C ATOM 723 CD GLU A 79 -21.085 33.563 -45.296 1.00 53.76 C ATOM 724 OE1 GLU A 79 -22.284 33.806 -45.516 1.00 57.37 O ATOM 725 OE2 GLU A 79 -20.307 33.145 -46.181 1.00 60.43 O ATOM 726 H GLU A 79 -19.588 31.929 -41.665 1.00 0.00 H ATOM 727 N THR A 80 -16.603 31.621 -42.873 1.00 48.53 N ATOM 728 CA THR A 80 -15.171 31.380 -43.029 1.00 55.29 C ATOM 729 C THR A 80 -14.888 29.974 -43.539 1.00 65.94 C ATOM 730 O THR A 80 -13.866 29.751 -44.199 1.00 72.34 O ATOM 731 CB THR A 80 -14.431 31.596 -41.706 1.00 51.80 C ATOM 732 OG1 THR A 80 -14.849 30.605 -40.759 1.00 56.75 O ATOM 733 CG2 THR A 80 -14.703 32.979 -41.152 1.00 42.20 C ATOM 734 HG1 THR A 80 -15.824 30.684 -40.609 1.00 0.00 H ATOM 735 H THR A 80 -16.994 31.836 -41.934 1.00 0.00 H ATOM 736 N ARG A 81 -15.771 29.016 -43.245 1.00 73.64 N ATOM 737 CA ARG A 81 -15.544 27.636 -43.667 1.00 85.74 C ATOM 738 C ARG A 81 -15.808 27.437 -45.155 1.00 94.17 C ATOM 739 O ARG A 81 -15.173 26.582 -45.785 1.00 94.89 O ATOM 740 CB ARG A 81 -16.407 26.686 -42.828 1.00 84.31 C ATOM 741 CG ARG A 81 -15.752 26.327 -41.508 1.00 85.79 C ATOM 742 CD ARG A 81 -16.757 26.004 -40.419 1.00 82.87 C ATOM 743 NE ARG A 81 -16.066 25.790 -39.151 1.00 82.01 N ATOM 744 CZ ARG A 81 -16.665 25.684 -37.969 1.00 80.29 C ATOM 745 NH1 ARG A 81 -17.989 25.774 -37.873 1.00 77.97 N ATOM 746 NH2 ARG A 81 -15.929 25.494 -36.880 1.00 76.97 N ATOM 747 HE ARG A 81 -15.029 25.715 -39.174 1.00 0.00 H ATOM 748 HH12 ARG A 81 -18.450 25.690 -36.945 1.00 0.00 H ATOM 749 HH11 ARG A 81 -18.563 25.928 -38.726 1.00 0.00 H ATOM 750 HH22 ARG A 81 -16.388 25.410 -35.950 1.00 0.00 H ATOM 751 HH21 ARG A 81 -14.894 25.429 -36.957 1.00 0.00 H ATOM 752 H ARG A 81 -16.630 29.255 -42.710 1.00 0.00 H ATOM 753 N SER A 82 -16.721 28.214 -45.731 1.00 95.42 N ATOM 754 CA SER A 82 -16.998 28.150 -47.162 1.00 93.48 C ATOM 755 C SER A 82 -15.958 28.936 -47.958 1.00 86.67 C ATOM 756 O SER A 82 -14.754 28.824 -47.718 1.00 81.28 O ATOM 757 CB SER A 82 -18.403 28.684 -47.459 1.00 92.75 C ATOM 758 OG SER A 82 -19.373 28.087 -46.613 1.00 88.20 O ATOM 759 HG SER A 82 -19.153 28.287 -45.669 1.00 0.00 H ATOM 760 H SER A 82 -17.253 28.887 -45.144 1.00 0.00 H TER 761 SER A 82 ATOM 762 N SER A 87 -8.505 36.828 -44.109 1.00 84.04 N ATOM 763 CA SER A 87 -7.221 36.967 -43.429 1.00 90.67 C ATOM 764 C SER A 87 -7.412 37.321 -41.961 1.00 90.30 C ATOM 765 O SER A 87 -7.966 38.375 -41.640 1.00 88.56 O ATOM 766 CB SER A 87 -6.359 38.028 -44.110 1.00 94.14 C ATOM 767 OG SER A 87 -5.184 38.278 -43.357 1.00 96.04 O ATOM 768 HG SER A 87 -4.640 38.967 -43.815 1.00 0.00 H ATOM 769 HN3 SER A 87 -9.027 37.726 -44.048 1.00 0.00 H ATOM 770 HN2 SER A 87 -9.057 36.073 -43.654 1.00 0.00 H ATOM 771 HN1 SER A 87 -8.343 36.587 -45.108 1.00 0.00 H ATOM 772 N SER A 88 -6.916 36.432 -41.092 1.00 90.64 N ATOM 773 CA SER A 88 -7.081 36.473 -39.640 1.00 91.95 C ATOM 774 C SER A 88 -7.244 37.873 -39.053 1.00 95.45 C ATOM 775 O SER A 88 -8.042 38.073 -38.133 1.00 97.31 O ATOM 776 CB SER A 88 -5.892 35.781 -38.966 1.00 97.81 C ATOM 777 OG SER A 88 -5.937 34.376 -39.158 1.00102.15 O ATOM 778 HG SER A 88 -5.158 33.958 -38.712 1.00 0.00 H ATOM 779 H SER A 88 -6.365 35.642 -41.484 1.00 0.00 H ATOM 780 N ASN A 89 -6.506 38.854 -39.558 1.00 94.71 N ATOM 781 CA ASN A 89 -6.658 40.201 -39.031 1.00 95.67 C ATOM 782 C ASN A 89 -6.646 41.218 -40.152 1.00 84.99 C ATOM 783 O ASN A 89 -5.989 42.259 -40.067 1.00 90.53 O ATOM 784 CB ASN A 89 -5.593 40.513 -37.983 1.00107.48 C ATOM 785 CG ASN A 89 -5.875 39.828 -36.662 1.00115.53 C ATOM 786 OD1 ASN A 89 -6.845 40.160 -35.975 1.00114.88 O ATOM 787 ND2 ASN A 89 -5.042 38.855 -36.306 1.00119.09 N ATOM 788 HD22 ASN A 89 -4.237 38.610 -36.917 1.00 0.00 H ATOM 789 HD21 ASN A 89 -5.195 38.339 -35.416 1.00 0.00 H ATOM 790 H ASN A 89 -5.827 38.662 -40.322 1.00 0.00 H ATOM 791 N LYS A 90 -7.382 40.931 -41.217 1.00 71.42 N ATOM 792 CA LYS A 90 -7.706 41.948 -42.202 1.00 63.82 C ATOM 793 C LYS A 90 -9.060 42.530 -41.816 1.00 47.61 C ATOM 794 O LYS A 90 -10.052 41.780 -41.766 1.00 39.67 O ATOM 795 CB LYS A 90 -7.748 41.346 -43.602 1.00 73.73 C ATOM 796 CG LYS A 90 -7.661 42.359 -44.731 1.00 81.81 C ATOM 797 CD LYS A 90 -7.629 41.675 -46.098 1.00 84.78 C ATOM 798 CE LYS A 90 -9.009 41.631 -46.752 1.00 83.58 C ATOM 799 NZ LYS A 90 -8.967 42.119 -48.168 1.00 87.57 N ATOM 800 HZ1 LYS A 90 -8.627 43.102 -48.185 1.00 0.00 H ATOM 801 HZ2 LYS A 90 -8.323 41.519 -48.721 1.00 0.00 H ATOM 802 HZ3 LYS A 90 -9.922 42.074 -48.577 1.00 0.00 H ATOM 803 H LYS A 90 -7.733 39.961 -41.349 1.00 0.00 H ATOM 804 N PRO A 91 -9.151 43.812 -41.474 1.00 47.65 N ATOM 805 CA PRO A 91 -10.470 44.415 -41.256 1.00 40.78 C ATOM 806 C PRO A 91 -11.388 44.149 -42.440 1.00 38.30 C ATOM 807 O PRO A 91 -10.944 44.041 -43.585 1.00 42.49 O ATOM 808 CB PRO A 91 -10.152 45.903 -41.095 1.00 45.88 C ATOM 809 CG PRO A 91 -8.787 45.899 -40.480 1.00 50.80 C ATOM 810 CD PRO A 91 -8.059 44.734 -41.111 1.00 47.32 C ATOM 811 N GLY A 92 -12.676 43.995 -42.150 1.00 42.38 N ATOM 812 CA GLY A 92 -13.649 43.687 -43.175 1.00 36.47 C ATOM 813 C GLY A 92 -13.815 42.217 -43.488 1.00 41.50 C ATOM 814 O GLY A 92 -14.440 41.884 -44.502 1.00 37.72 O ATOM 815 H GLY A 92 -12.991 44.098 -41.164 1.00 0.00 H ATOM 816 N THR A 93 -13.287 41.324 -42.658 1.00 47.41 N ATOM 817 CA THR A 93 -13.436 39.895 -42.871 1.00 41.69 C ATOM 818 C THR A 93 -14.106 39.240 -41.674 1.00 38.30 C ATOM 819 O THR A 93 -13.956 39.686 -40.533 1.00 36.30 O ATOM 820 CB THR A 93 -12.092 39.220 -43.099 1.00 46.35 C ATOM 821 OG1 THR A 93 -11.336 39.276 -41.883 1.00 49.98 O ATOM 822 CG2 THR A 93 -11.327 39.929 -44.208 1.00 49.35 C ATOM 823 HG1 THR A 93 -11.198 40.222 -41.625 1.00 0.00 H ATOM 824 H THR A 93 -12.751 41.658 -41.832 1.00 0.00 H ATOM 825 N CYS A 94 -14.834 38.158 -41.955 1.00 33.69 N ATOM 826 CA CYS A 94 -15.420 37.354 -40.889 1.00 37.45 C ATOM 827 C CYS A 94 -14.348 36.838 -39.937 1.00 37.92 C ATOM 828 O CYS A 94 -14.538 36.844 -38.713 1.00 35.13 O ATOM 829 CB CYS A 94 -16.199 36.190 -41.492 1.00 39.80 C ATOM 830 SG CYS A 94 -17.655 36.675 -42.441 1.00 45.00 S ATOM 831 H CYS A 94 -14.985 37.884 -42.947 1.00 0.00 H ATOM 832 N ALA A 95 -13.208 36.403 -40.485 1.00 38.46 N ATOM 833 CA ALA A 95 -12.123 35.885 -39.659 1.00 43.71 C ATOM 834 C ALA A 95 -11.645 36.923 -38.659 1.00 38.37 C ATOM 835 O ALA A 95 -11.410 36.608 -37.487 1.00 36.15 O ATOM 836 CB ALA A 95 -10.957 35.435 -40.539 1.00 41.44 C ATOM 837 H ALA A 95 -13.093 36.435 -41.518 1.00 0.00 H ATOM 838 N HIS A 96 -11.473 38.164 -39.108 1.00 34.05 N ATOM 839 CA HIS A 96 -11.014 39.202 -38.195 1.00 34.22 C ATOM 840 C HIS A 96 -12.046 39.456 -37.110 1.00 31.37 C ATOM 841 O HIS A 96 -11.691 39.629 -35.940 1.00 35.59 O ATOM 842 CB HIS A 96 -10.713 40.485 -38.964 1.00 39.88 C ATOM 843 CG HIS A 96 -10.300 41.631 -38.095 1.00 43.37 C ATOM 844 ND1 HIS A 96 -11.100 42.736 -37.891 1.00 42.26 N ATOM 845 CD2 HIS A 96 -9.169 41.849 -37.382 1.00 43.52 C ATOM 846 CE1 HIS A 96 -10.478 43.587 -37.094 1.00 43.81 C ATOM 847 NE2 HIS A 96 -9.303 43.075 -36.773 1.00 47.61 N ATOM 848 H HIS A 96 -11.665 38.391 -40.105 1.00 0.00 H ATOM 849 N ALA A 97 -13.334 39.447 -37.480 1.00 28.39 N ATOM 850 CA ALA A 97 -14.393 39.676 -36.500 1.00 24.29 C ATOM 851 C ALA A 97 -14.364 38.619 -35.406 1.00 29.78 C ATOM 852 O ALA A 97 -14.562 38.920 -34.224 1.00 29.43 O ATOM 853 CB ALA A 97 -15.749 39.674 -37.197 1.00 27.15 C ATOM 854 H ALA A 97 -13.582 39.275 -38.475 1.00 0.00 H ATOM 855 N ILE A 98 -14.103 37.376 -35.789 1.00 32.70 N ATOM 856 CA ILE A 98 -14.078 36.285 -34.830 1.00 29.74 C ATOM 857 C ILE A 98 -12.839 36.376 -33.958 1.00 29.86 C ATOM 858 O ILE A 98 -12.897 36.135 -32.748 1.00 33.08 O ATOM 859 CB ILE A 98 -14.161 34.957 -35.589 1.00 28.86 C ATOM 860 CG1 ILE A 98 -15.558 34.836 -36.182 1.00 27.22 C ATOM 861 CG2 ILE A 98 -13.790 33.765 -34.684 1.00 31.64 C ATOM 862 CD1 ILE A 98 -15.702 33.687 -37.126 1.00 38.24 C ATOM 863 H ILE A 98 -13.913 37.179 -36.792 1.00 0.00 H ATOM 864 N ASN A 99 -11.703 36.753 -34.546 1.00 32.65 N ATOM 865 CA ASN A 99 -10.511 36.975 -33.733 1.00 35.76 C ATOM 866 C ASN A 99 -10.738 38.097 -32.723 1.00 34.26 C ATOM 867 O ASN A 99 -10.368 37.974 -31.548 1.00 37.88 O ATOM 868 CB ASN A 99 -9.312 37.283 -34.633 1.00 43.58 C ATOM 869 CG ASN A 99 -8.838 36.064 -35.406 1.00 61.32 C ATOM 870 OD1 ASN A 99 -9.116 34.927 -35.024 1.00 61.03 O ATOM 871 ND2 ASN A 99 -8.114 36.294 -36.495 1.00 67.87 N ATOM 872 HD22 ASN A 99 -7.902 37.271 -36.782 1.00 0.00 H ATOM 873 HD21 ASN A 99 -7.759 35.497 -37.061 1.00 0.00 H ATOM 874 H ASN A 99 -11.667 36.888 -35.577 1.00 0.00 H ATOM 875 N THR A 100 -11.361 39.190 -33.154 1.00 35.21 N ATOM 876 CA THR A 100 -11.668 40.277 -32.223 1.00 38.76 C ATOM 877 C THR A 100 -12.546 39.782 -31.076 1.00 40.46 C ATOM 878 O THR A 100 -12.268 40.055 -29.901 1.00 34.74 O ATOM 879 CB THR A 100 -12.343 41.431 -32.965 1.00 38.03 C ATOM 880 OG1 THR A 100 -11.492 41.878 -34.026 1.00 37.00 O ATOM 881 CG2 THR A 100 -12.625 42.601 -32.025 1.00 34.27 C ATOM 882 HG1 THR A 100 -11.930 42.625 -34.506 1.00 0.00 H ATOM 883 H THR A 100 -11.631 39.273 -34.155 1.00 0.00 H ATOM 884 N LEU A 101 -13.610 39.038 -31.395 1.00 31.56 N ATOM 885 CA LEU A 101 -14.431 38.468 -30.332 1.00 28.69 C ATOM 886 C LEU A 101 -13.583 37.613 -29.401 1.00 29.25 C ATOM 887 O LEU A 101 -13.670 37.735 -28.175 1.00 29.73 O ATOM 888 CB LEU A 101 -15.582 37.637 -30.924 1.00 28.07 C ATOM 889 CG LEU A 101 -16.724 38.413 -31.570 1.00 30.56 C ATOM 890 CD1 LEU A 101 -17.719 37.458 -32.210 1.00 34.39 C ATOM 891 CD2 LEU A 101 -17.421 39.293 -30.537 1.00 26.53 C ATOM 892 H LEU A 101 -13.850 38.867 -32.392 1.00 0.00 H ATOM 893 N GLY A 102 -12.731 36.755 -29.968 1.00 34.63 N ATOM 894 CA GLY A 102 -11.978 35.819 -29.149 1.00 34.36 C ATOM 895 C GLY A 102 -11.009 36.501 -28.202 1.00 36.66 C ATOM 896 O GLY A 102 -10.736 35.992 -27.110 1.00 39.36 O ATOM 897 H GLY A 102 -12.606 36.756 -31.000 1.00 0.00 H ATOM 898 N GLU A 103 -10.495 37.666 -28.585 1.00 38.06 N ATOM 899 CA GLU A 103 -9.561 38.367 -27.712 1.00 42.82 C ATOM 900 C GLU A 103 -10.232 38.927 -26.465 1.00 39.68 C ATOM 901 O GLU A 103 -9.544 39.175 -25.475 1.00 46.45 O ATOM 902 CB GLU A 103 -8.866 39.494 -28.484 1.00 45.57 C ATOM 903 CG GLU A 103 -7.856 38.998 -29.501 1.00 57.38 C ATOM 904 CD GLU A 103 -7.576 40.017 -30.595 1.00 79.58 C ATOM 905 OE1 GLU A 103 -8.251 41.073 -30.626 1.00 83.79 O ATOM 906 OE2 GLU A 103 -6.680 39.759 -31.429 1.00 86.58 O ATOM 907 H GLU A 103 -10.758 38.076 -29.504 1.00 0.00 H ATOM 908 N VAL A 104 -11.551 39.122 -26.477 1.00 38.07 N ATOM 909 CA VAL A 104 -12.255 39.666 -25.319 1.00 38.01 C ATOM 910 C VAL A 104 -13.190 38.659 -24.674 1.00 40.23 C ATOM 911 O VAL A 104 -13.819 38.982 -23.651 1.00 32.52 O ATOM 912 CB VAL A 104 -13.035 40.946 -25.681 1.00 37.32 C ATOM 913 CG1 VAL A 104 -12.093 42.017 -26.235 1.00 38.60 C ATOM 914 CG2 VAL A 104 -14.177 40.618 -26.658 1.00 29.88 C ATOM 915 H VAL A 104 -12.092 38.881 -27.332 1.00 0.00 H ATOM 916 N ILE A 105 -13.296 37.444 -25.215 1.00 35.75 N ATOM 917 CA ILE A 105 -14.390 36.585 -24.784 1.00 33.59 C ATOM 918 C ILE A 105 -14.196 36.127 -23.344 1.00 36.11 C ATOM 919 O ILE A 105 -15.178 35.924 -22.622 1.00 34.78 O ATOM 920 CB ILE A 105 -14.569 35.394 -25.748 1.00 37.63 C ATOM 921 CG1 ILE A 105 -15.953 34.778 -25.555 1.00 29.66 C ATOM 922 CG2 ILE A 105 -13.498 34.339 -25.529 1.00 34.61 C ATOM 923 CD1 ILE A 105 -17.082 35.685 -26.073 1.00 29.59 C ATOM 924 H ILE A 105 -12.613 37.118 -25.928 1.00 0.00 H ATOM 925 N GLN A 106 -12.947 35.984 -22.889 1.00 37.19 N ATOM 926 CA GLN A 106 -12.713 35.583 -21.504 1.00 48.09 C ATOM 927 C GLN A 106 -13.196 36.648 -20.530 1.00 46.10 C ATOM 928 O GLN A 106 -13.836 36.329 -19.519 1.00 43.12 O ATOM 929 CB GLN A 106 -11.230 35.287 -21.276 1.00 48.40 C ATOM 930 CG GLN A 106 -10.741 34.035 -21.976 1.00 56.56 C ATOM 931 CD GLN A 106 -9.282 33.742 -21.689 1.00 64.23 C ATOM 932 OE1 GLN A 106 -8.943 33.142 -20.664 1.00 62.89 O ATOM 933 NE2 GLN A 106 -8.407 34.165 -22.596 1.00 61.49 N ATOM 934 HE22 GLN A 106 -8.739 34.666 -23.445 1.00 0.00 H ATOM 935 HE21 GLN A 106 -7.391 33.995 -22.457 1.00 0.00 H ATOM 936 H GLN A 106 -12.141 36.159 -23.522 1.00 0.00 H ATOM 937 N GLU A 107 -12.878 37.916 -20.808 1.00 38.54 N ATOM 938 CA GLU A 107 -13.424 39.017 -20.019 1.00 41.97 C ATOM 939 C GLU A 107 -14.951 38.981 -20.015 1.00 36.09 C ATOM 940 O GLU A 107 -15.581 39.068 -18.957 1.00 40.97 O ATOM 941 CB GLU A 107 -12.923 40.364 -20.568 1.00 45.87 C ATOM 942 CG GLU A 107 -13.852 41.545 -20.227 1.00 57.62 C ATOM 943 CD GLU A 107 -13.633 42.821 -21.072 1.00 58.26 C ATOM 944 OE1 GLU A 107 -12.612 42.941 -21.793 1.00 55.73 O ATOM 945 OE2 GLU A 107 -14.506 43.714 -20.998 1.00 51.44 O ATOM 946 H GLU A 107 -12.233 38.122 -21.597 1.00 0.00 H ATOM 947 N LEU A 108 -15.563 38.872 -21.198 1.00 34.34 N ATOM 948 CA LEU A 108 -17.020 38.974 -21.298 1.00 39.57 C ATOM 949 C LEU A 108 -17.702 37.813 -20.590 1.00 41.16 C ATOM 950 O LEU A 108 -18.739 37.996 -19.945 1.00 39.39 O ATOM 951 CB LEU A 108 -17.458 39.025 -22.763 1.00 31.83 C ATOM 952 CG LEU A 108 -16.984 40.250 -23.549 1.00 37.42 C ATOM 953 CD1 LEU A 108 -17.550 40.223 -24.962 1.00 29.90 C ATOM 954 CD2 LEU A 108 -17.370 41.544 -22.827 1.00 30.63 C ATOM 955 H LEU A 108 -14.998 38.713 -22.057 1.00 0.00 H ATOM 956 N LEU A 109 -17.122 36.616 -20.686 1.00 36.22 N ATOM 957 CA LEU A 109 -17.717 35.455 -20.039 1.00 40.19 C ATOM 958 C LEU A 109 -17.598 35.551 -18.525 1.00 40.25 C ATOM 959 O LEU A 109 -18.583 35.347 -17.808 1.00 35.82 O ATOM 960 CB LEU A 109 -17.075 34.171 -20.565 1.00 36.97 C ATOM 961 CG LEU A 109 -17.664 33.685 -21.890 1.00 43.49 C ATOM 962 CD1 LEU A 109 -16.758 32.659 -22.539 1.00 46.14 C ATOM 963 CD2 LEU A 109 -19.036 33.089 -21.652 1.00 39.98 C ATOM 964 H LEU A 109 -16.239 36.511 -21.226 1.00 0.00 H ATOM 965 N SER A 110 -16.408 35.894 -18.014 1.00 41.80 N ATOM 966 CA SER A 110 -16.236 35.891 -16.564 1.00 46.97 C ATOM 967 C SER A 110 -17.061 36.988 -15.900 1.00 49.45 C ATOM 968 O SER A 110 -17.558 36.797 -14.785 1.00 56.01 O ATOM 969 CB SER A 110 -14.755 36.021 -16.192 1.00 50.92 C ATOM 970 OG SER A 110 -14.188 37.213 -16.697 1.00 60.58 O ATOM 971 HG SER A 110 -14.262 37.220 -17.684 1.00 0.00 H ATOM 972 H SER A 110 -15.620 36.158 -18.639 1.00 0.00 H ATOM 973 N ASP A 111 -17.238 38.128 -16.570 1.00 42.96 N ATOM 974 CA ASP A 111 -18.109 39.162 -16.024 1.00 45.14 C ATOM 975 C ASP A 111 -19.571 38.735 -16.091 1.00 42.82 C ATOM 976 O ASP A 111 -20.334 38.973 -15.149 1.00 47.07 O ATOM 977 CB ASP A 111 -17.887 40.484 -16.767 1.00 55.48 C ATOM 978 CG ASP A 111 -18.742 41.622 -16.218 1.00 67.76 C ATOM 979 OD1 ASP A 111 -18.560 41.985 -15.031 1.00 74.74 O ATOM 980 OD2 ASP A 111 -19.584 42.159 -16.978 1.00 71.16 O ATOM 981 H ASP A 111 -16.756 38.279 -17.479 1.00 0.00 H ATOM 982 N ALA A 112 -19.975 38.090 -17.191 1.00 44.88 N ATOM 983 CA ALA A 112 -21.354 37.625 -17.317 1.00 36.10 C ATOM 984 C ALA A 112 -21.698 36.615 -16.237 1.00 41.59 C ATOM 985 O ALA A 112 -22.784 36.671 -15.648 1.00 40.25 O ATOM 986 CB ALA A 112 -21.587 37.011 -18.696 1.00 29.91 C ATOM 987 H ALA A 112 -19.301 37.918 -17.964 1.00 0.00 H ATOM 988 N ILE A 113 -20.788 35.677 -15.970 1.00 41.21 N ATOM 989 CA ILE A 113 -21.045 34.658 -14.960 1.00 43.96 C ATOM 990 C ILE A 113 -21.130 35.283 -13.573 1.00 44.86 C ATOM 991 O ILE A 113 -22.061 35.002 -12.810 1.00 47.96 O ATOM 992 CB ILE A 113 -19.971 33.561 -15.041 1.00 45.47 C ATOM 993 CG1 ILE A 113 -20.121 32.799 -16.367 1.00 42.38 C ATOM 994 CG2 ILE A 113 -20.123 32.597 -13.870 1.00 44.41 C ATOM 995 CD1 ILE A 113 -18.865 32.138 -16.874 1.00 38.23 C ATOM 996 H ILE A 113 -19.886 35.673 -16.488 1.00 0.00 H ATOM 997 N ALA A 114 -20.183 36.164 -13.239 1.00 45.16 N ATOM 998 CA ALA A 114 -20.171 36.785 -11.917 1.00 50.98 C ATOM 999 C ALA A 114 -21.468 37.530 -11.631 1.00 54.22 C ATOM 1000 O ALA A 114 -21.908 37.596 -10.479 1.00 57.86 O ATOM 1001 CB ALA A 114 -18.976 37.742 -11.794 1.00 42.99 C ATOM 1002 H ALA A 114 -19.445 36.411 -13.929 1.00 0.00 H ATOM 1003 N LYS A 115 -22.095 38.090 -12.656 1.00 49.45 N ATOM 1004 CA LYS A 115 -23.294 38.889 -12.466 1.00 50.78 C ATOM 1005 C LYS A 115 -24.578 38.117 -12.718 1.00 52.10 C ATOM 1006 O LYS A 115 -25.663 38.684 -12.562 1.00 55.08 O ATOM 1007 CB LYS A 115 -23.239 40.116 -13.367 1.00 49.91 C ATOM 1008 CG LYS A 115 -22.339 41.203 -12.796 1.00 51.24 C ATOM 1009 CD LYS A 115 -21.934 42.200 -13.838 1.00 56.62 C ATOM 1010 CE LYS A 115 -21.059 43.276 -13.207 1.00 63.58 C ATOM 1011 NZ LYS A 115 -20.402 44.097 -14.249 1.00 66.82 N ATOM 1012 HZ1 LYS A 115 -19.807 43.487 -14.845 1.00 0.00 H ATOM 1013 HZ2 LYS A 115 -21.128 44.556 -14.836 1.00 0.00 H ATOM 1014 HZ3 LYS A 115 -19.811 44.823 -13.795 1.00 0.00 H ATOM 1015 H LYS A 115 -21.721 37.955 -13.617 1.00 0.00 H ATOM 1016 N SER A 116 -24.482 36.849 -13.095 1.00 47.50 N ATOM 1017 CA SER A 116 -25.651 36.050 -13.425 1.00 47.92 C ATOM 1018 C SER A 116 -26.138 35.262 -12.216 1.00 50.32 C ATOM 1019 O SER A 116 -25.347 34.824 -11.374 1.00 52.56 O ATOM 1020 CB SER A 116 -25.328 35.085 -14.567 1.00 42.61 C ATOM 1021 OG SER A 116 -25.213 35.782 -15.798 1.00 40.48 O ATOM 1022 HG SER A 116 -24.487 36.452 -15.730 1.00 0.00 H ATOM 1023 H SER A 116 -23.540 36.412 -13.157 1.00 0.00 H ATOM 1024 N ASN A 117 -27.455 35.068 -12.140 1.00 46.93 N ATOM 1025 CA ASN A 117 -27.984 34.151 -11.142 1.00 50.46 C ATOM 1026 C ASN A 117 -27.621 32.721 -11.539 1.00 49.82 C ATOM 1027 O ASN A 117 -26.971 32.476 -12.562 1.00 44.26 O ATOM 1028 CB ASN A 117 -29.497 34.332 -10.981 1.00 59.46 C ATOM 1029 CG ASN A 117 -30.291 33.991 -12.251 1.00 61.86 C ATOM 1030 OD1 ASN A 117 -29.831 33.259 -13.130 1.00 60.27 O ATOM 1031 ND2 ASN A 117 -31.503 34.525 -12.336 1.00 61.92 N ATOM 1032 HD22 ASN A 117 -31.856 35.138 -11.573 1.00 0.00 H ATOM 1033 HD21 ASN A 117 -32.100 34.331 -13.165 1.00 0.00 H ATOM 1034 H ASN A 117 -28.098 35.567 -12.788 1.00 0.00 H ATOM 1035 N GLN A 118 -28.079 31.757 -10.736 1.00 51.66 N ATOM 1036 CA GLN A 118 -27.720 30.364 -10.978 1.00 46.17 C ATOM 1037 C GLN A 118 -28.223 29.876 -12.330 1.00 39.93 C ATOM 1038 O GLN A 118 -27.501 29.183 -13.058 1.00 43.47 O ATOM 1039 CB GLN A 118 -28.270 29.477 -9.859 1.00 56.67 C ATOM 1040 CG GLN A 118 -27.627 28.114 -9.808 1.00 57.60 C ATOM 1041 CD GLN A 118 -26.110 28.201 -9.838 1.00 70.17 C ATOM 1042 OE1 GLN A 118 -25.500 28.984 -9.097 1.00 69.21 O ATOM 1043 NE2 GLN A 118 -25.492 27.409 -10.712 1.00 73.04 N ATOM 1044 HE22 GLN A 118 -26.046 26.767 -11.314 1.00 0.00 H ATOM 1045 HE21 GLN A 118 -24.455 27.432 -10.792 1.00 0.00 H ATOM 1046 H GLN A 118 -28.695 32.001 -9.934 1.00 0.00 H ATOM 1047 N ASP A 119 -29.463 30.214 -12.684 1.00 42.94 N ATOM 1048 CA ASP A 119 -30.030 29.692 -13.922 1.00 44.99 C ATOM 1049 C ASP A 119 -29.306 30.256 -15.141 1.00 42.47 C ATOM 1050 O ASP A 119 -29.129 29.562 -16.153 1.00 36.59 O ATOM 1051 CB ASP A 119 -31.528 30.000 -13.981 1.00 43.23 C ATOM 1052 CG ASP A 119 -32.162 29.548 -15.280 1.00 51.37 C ATOM 1053 OD1 ASP A 119 -32.174 28.320 -15.542 1.00 51.34 O ATOM 1054 OD2 ASP A 119 -32.634 30.422 -16.042 1.00 57.03 O ATOM 1055 H ASP A 119 -30.024 30.848 -12.079 1.00 0.00 H ATOM 1056 N HIS A 120 -28.872 31.509 -15.069 1.00 39.14 N ATOM 1057 CA HIS A 120 -28.150 32.071 -16.201 1.00 37.00 C ATOM 1058 C HIS A 120 -26.736 31.510 -16.282 1.00 34.66 C ATOM 1059 O HIS A 120 -26.226 31.288 -17.386 1.00 39.73 O ATOM 1060 CB HIS A 120 -28.153 33.599 -16.113 1.00 43.27 C ATOM 1061 CG HIS A 120 -29.407 34.222 -16.647 1.00 45.64 C ATOM 1062 ND1 HIS A 120 -29.525 35.574 -16.896 1.00 41.72 N ATOM 1063 CD2 HIS A 120 -30.597 33.670 -16.994 1.00 38.29 C ATOM 1064 CE1 HIS A 120 -30.730 35.829 -17.375 1.00 39.90 C ATOM 1065 NE2 HIS A 120 -31.403 34.691 -17.439 1.00 42.35 N ATOM 1066 H HIS A 120 -29.045 32.080 -14.217 1.00 0.00 H ATOM 1067 N LYS A 121 -26.110 31.236 -15.131 1.00 37.52 N ATOM 1068 CA LYS A 121 -24.808 30.570 -15.122 1.00 41.94 C ATOM 1069 C LYS A 121 -24.857 29.253 -15.885 1.00 43.36 C ATOM 1070 O LYS A 121 -23.964 28.959 -16.689 1.00 45.10 O ATOM 1071 CB LYS A 121 -24.338 30.330 -13.690 1.00 48.37 C ATOM 1072 CG LYS A 121 -23.949 31.581 -12.899 1.00 46.59 C ATOM 1073 CD LYS A 121 -23.659 31.143 -11.462 1.00 51.65 C ATOM 1074 CE LYS A 121 -23.617 32.299 -10.494 1.00 56.08 C ATOM 1075 NZ LYS A 121 -22.469 33.174 -10.762 1.00 54.52 N ATOM 1076 HZ1 LYS A 121 -21.589 32.628 -10.666 1.00 0.00 H ATOM 1077 HZ2 LYS A 121 -22.541 33.552 -11.728 1.00 0.00 H ATOM 1078 HZ3 LYS A 121 -22.467 33.960 -10.080 1.00 0.00 H ATOM 1079 H LYS A 121 -26.556 31.501 -14.230 1.00 0.00 H ATOM 1080 N GLU A 122 -25.907 28.452 -15.661 1.00 37.36 N ATOM 1081 CA GLU A 122 -25.994 27.165 -16.344 1.00 39.57 C ATOM 1082 C GLU A 122 -26.194 27.363 -17.835 1.00 36.49 C ATOM 1083 O GLU A 122 -25.648 26.609 -18.648 1.00 34.19 O ATOM 1084 CB GLU A 122 -27.128 26.320 -15.759 1.00 35.94 C ATOM 1085 CG GLU A 122 -26.846 25.806 -14.357 1.00 53.60 C ATOM 1086 CD GLU A 122 -28.107 25.354 -13.645 1.00 70.88 C ATOM 1087 OE1 GLU A 122 -29.201 25.483 -14.244 1.00 66.28 O ATOM 1088 OE2 GLU A 122 -28.006 24.869 -12.493 1.00 78.92 O ATOM 1089 H GLU A 122 -26.657 28.746 -15.003 1.00 0.00 H ATOM 1090 N LYS A 123 -26.970 28.379 -18.212 1.00 27.74 N ATOM 1091 CA LYS A 123 -27.138 28.674 -19.627 1.00 31.94 C ATOM 1092 C LYS A 123 -25.848 29.180 -20.255 1.00 30.72 C ATOM 1093 O LYS A 123 -25.580 28.898 -21.431 1.00 34.19 O ATOM 1094 CB LYS A 123 -28.281 29.672 -19.810 1.00 36.10 C ATOM 1095 CG LYS A 123 -29.641 29.022 -19.556 1.00 38.95 C ATOM 1096 CD LYS A 123 -30.740 30.047 -19.337 1.00 36.46 C ATOM 1097 CE LYS A 123 -32.092 29.380 -19.437 1.00 39.69 C ATOM 1098 NZ LYS A 123 -33.151 30.263 -18.920 1.00 39.54 N ATOM 1099 HZ1 LYS A 123 -32.959 30.485 -17.922 1.00 0.00 H ATOM 1100 HZ2 LYS A 123 -33.169 31.143 -19.475 1.00 0.00 H ATOM 1101 HZ3 LYS A 123 -34.070 29.783 -18.999 1.00 0.00 H ATOM 1102 H LYS A 123 -27.454 28.959 -17.497 1.00 0.00 H ATOM 1103 N ILE A 124 -25.038 29.921 -19.497 1.00 30.06 N ATOM 1104 CA ILE A 124 -23.734 30.323 -20.006 1.00 30.42 C ATOM 1105 C ILE A 124 -22.835 29.105 -20.180 1.00 34.48 C ATOM 1106 O ILE A 124 -22.092 29.002 -21.166 1.00 31.42 O ATOM 1107 CB ILE A 124 -23.099 31.375 -19.083 1.00 30.61 C ATOM 1108 CG1 ILE A 124 -23.930 32.668 -19.128 1.00 34.90 C ATOM 1109 CG2 ILE A 124 -21.653 31.655 -19.523 1.00 32.04 C ATOM 1110 CD1 ILE A 124 -23.380 33.790 -18.251 1.00 33.31 C ATOM 1111 H ILE A 124 -25.337 30.211 -18.544 1.00 0.00 H ATOM 1112 N ARG A 125 -22.904 28.151 -19.248 1.00 40.28 N ATOM 1113 CA ARG A 125 -22.055 26.969 -19.373 1.00 37.81 C ATOM 1114 C ARG A 125 -22.380 26.196 -20.643 1.00 30.19 C ATOM 1115 O ARG A 125 -21.475 25.770 -21.368 1.00 34.99 O ATOM 1116 CB ARG A 125 -22.190 26.070 -18.150 1.00 41.65 C ATOM 1117 CG ARG A 125 -20.992 25.149 -18.001 1.00 48.21 C ATOM 1118 CD ARG A 125 -21.321 23.918 -17.192 1.00 54.64 C ATOM 1119 NE ARG A 125 -20.187 23.002 -17.101 1.00 50.62 N ATOM 1120 CZ ARG A 125 -19.273 23.057 -16.137 1.00 61.98 C ATOM 1121 NH1 ARG A 125 -19.371 23.978 -15.184 1.00 60.14 N ATOM 1122 NH2 ARG A 125 -18.266 22.192 -16.122 1.00 64.57 N ATOM 1123 HE ARG A 125 -20.089 22.267 -17.830 1.00 0.00 H ATOM 1124 HH12 ARG A 125 -18.657 24.023 -14.429 1.00 0.00 H ATOM 1125 HH11 ARG A 125 -20.161 24.654 -15.193 1.00 0.00 H ATOM 1126 HH22 ARG A 125 -17.553 22.238 -15.367 1.00 0.00 H ATOM 1127 HH21 ARG A 125 -18.191 21.469 -16.866 1.00 0.00 H ATOM 1128 H ARG A 125 -23.555 28.249 -18.443 1.00 0.00 H ATOM 1129 N MET A 126 -23.667 26.038 -20.952 1.00 29.86 N ATOM 1130 CA MET A 126 -24.042 25.332 -22.171 1.00 31.26 C ATOM 1131 C MET A 126 -23.591 26.093 -23.413 1.00 35.81 C ATOM 1132 O MET A 126 -23.176 25.483 -24.410 1.00 30.03 O ATOM 1133 CB MET A 126 -25.550 25.101 -22.183 1.00 39.64 C ATOM 1134 CG MET A 126 -26.074 24.441 -20.880 1.00 58.85 C ATOM 1135 SD MET A 126 -25.412 22.800 -20.448 1.00 62.61 S ATOM 1136 CE MET A 126 -24.816 23.090 -18.776 1.00 63.66 C ATOM 1137 H MET A 126 -24.403 26.418 -20.324 1.00 0.00 H ATOM 1138 N LEU A 127 -23.653 27.428 -23.367 1.00 33.00 N ATOM 1139 CA LEU A 127 -23.135 28.236 -24.466 1.00 33.56 C ATOM 1140 C LEU A 127 -21.640 28.018 -24.633 1.00 24.82 C ATOM 1141 O LEU A 127 -21.144 27.887 -25.757 1.00 32.62 O ATOM 1142 CB LEU A 127 -23.442 29.713 -24.212 1.00 25.75 C ATOM 1143 CG LEU A 127 -23.612 30.662 -25.386 1.00 38.68 C ATOM 1144 CD1 LEU A 127 -24.590 30.098 -26.410 1.00 26.91 C ATOM 1145 CD2 LEU A 127 -24.100 32.014 -24.856 1.00 36.92 C ATOM 1146 H LEU A 127 -24.075 27.895 -22.539 1.00 0.00 H ATOM 1147 N LEU A 128 -20.906 27.981 -23.521 1.00 27.11 N ATOM 1148 CA LEU A 128 -19.503 27.587 -23.559 1.00 33.65 C ATOM 1149 C LEU A 128 -19.323 26.255 -24.277 1.00 41.77 C ATOM 1150 O LEU A 128 -18.417 26.104 -25.105 1.00 36.61 O ATOM 1151 CB LEU A 128 -18.951 27.487 -22.137 1.00 40.33 C ATOM 1152 CG LEU A 128 -18.313 28.721 -21.501 1.00 56.66 C ATOM 1153 CD1 LEU A 128 -17.935 28.427 -20.057 1.00 60.22 C ATOM 1154 CD2 LEU A 128 -17.088 29.123 -22.291 1.00 61.94 C ATOM 1155 H LEU A 128 -21.341 28.237 -22.612 1.00 0.00 H ATOM 1156 N ASP A 129 -20.179 25.275 -23.971 1.00 38.30 N ATOM 1157 CA ASP A 129 -20.050 23.960 -24.599 1.00 39.71 C ATOM 1158 C ASP A 129 -20.333 24.037 -26.095 1.00 30.28 C ATOM 1159 O ASP A 129 -19.584 23.479 -26.906 1.00 34.06 O ATOM 1160 CB ASP A 129 -20.982 22.954 -23.918 1.00 42.97 C ATOM 1161 CG ASP A 129 -20.660 22.772 -22.448 1.00 41.22 C ATOM 1162 OD1 ASP A 129 -19.489 22.984 -22.072 1.00 50.94 O ATOM 1163 OD2 ASP A 129 -21.577 22.427 -21.676 1.00 47.88 O ATOM 1164 H ASP A 129 -20.940 25.448 -23.284 1.00 0.00 H ATOM 1165 N ILE A 130 -21.404 24.738 -26.478 1.00 23.03 N ATOM 1166 CA ILE A 130 -21.714 24.952 -27.890 1.00 29.05 C ATOM 1167 C ILE A 130 -20.538 25.601 -28.616 1.00 30.91 C ATOM 1168 O ILE A 130 -20.200 25.231 -29.748 1.00 31.32 O ATOM 1169 CB ILE A 130 -22.989 25.804 -28.013 1.00 39.11 C ATOM 1170 CG1 ILE A 130 -24.230 24.986 -27.636 1.00 38.35 C ATOM 1171 CG2 ILE A 130 -23.099 26.444 -29.401 1.00 41.18 C ATOM 1172 CD1 ILE A 130 -25.477 25.862 -27.519 1.00 38.10 C ATOM 1173 H ILE A 130 -22.032 25.141 -25.754 1.00 0.00 H ATOM 1174 N TRP A 131 -19.896 26.582 -27.977 1.00 30.65 N ATOM 1175 CA TRP A 131 -18.769 27.258 -28.618 1.00 36.09 C ATOM 1176 C TRP A 131 -17.582 26.322 -28.762 1.00 35.74 C ATOM 1177 O TRP A 131 -16.841 26.395 -29.749 1.00 40.14 O ATOM 1178 CB TRP A 131 -18.384 28.502 -27.821 1.00 27.98 C ATOM 1179 CG TRP A 131 -19.422 29.568 -27.942 1.00 33.89 C ATOM 1180 CD1 TRP A 131 -20.472 29.583 -28.809 1.00 30.68 C ATOM 1181 CD2 TRP A 131 -19.517 30.771 -27.170 1.00 33.92 C ATOM 1182 NE1 TRP A 131 -21.213 30.729 -28.633 1.00 33.50 N ATOM 1183 CE2 TRP A 131 -20.649 31.472 -27.628 1.00 37.15 C ATOM 1184 CE3 TRP A 131 -18.758 31.319 -26.132 1.00 29.63 C ATOM 1185 CZ2 TRP A 131 -21.036 32.705 -27.091 1.00 38.93 C ATOM 1186 CZ3 TRP A 131 -19.143 32.538 -25.598 1.00 32.38 C ATOM 1187 CH2 TRP A 131 -20.276 33.215 -26.076 1.00 36.94 C ATOM 1188 HE1 TRP A 131 -22.062 30.989 -29.174 1.00 0.00 H ATOM 1189 H TRP A 131 -20.198 26.865 -27.023 1.00 0.00 H ATOM 1190 N ASP A 132 -17.389 25.447 -27.778 1.00 37.16 N ATOM 1191 CA ASP A 132 -16.395 24.383 -27.868 1.00 44.86 C ATOM 1192 C ASP A 132 -16.652 23.488 -29.081 1.00 39.31 C ATOM 1193 O ASP A 132 -15.780 23.313 -29.938 1.00 35.89 O ATOM 1194 CB ASP A 132 -16.422 23.575 -26.568 1.00 53.54 C ATOM 1195 CG ASP A 132 -15.074 23.035 -26.184 1.00 74.80 C ATOM 1196 OD1 ASP A 132 -14.437 22.373 -27.027 1.00 82.17 O ATOM 1197 OD2 ASP A 132 -14.652 23.277 -25.033 1.00 85.19 O ATOM 1198 H ASP A 132 -17.966 25.524 -26.916 1.00 0.00 H ATOM 1199 N ARG A 133 -17.865 22.935 -29.180 1.00 35.85 N ATOM 1200 CA ARG A 133 -18.172 21.954 -30.220 1.00 37.22 C ATOM 1201 C ARG A 133 -18.185 22.574 -31.614 1.00 39.44 C ATOM 1202 O ARG A 133 -17.775 21.931 -32.587 1.00 38.76 O ATOM 1203 CB ARG A 133 -19.514 21.287 -29.905 1.00 34.52 C ATOM 1204 CG ARG A 133 -19.465 20.520 -28.595 1.00 31.31 C ATOM 1205 CD ARG A 133 -20.816 19.947 -28.181 1.00 35.83 C ATOM 1206 NE ARG A 133 -20.728 19.376 -26.837 1.00 39.46 N ATOM 1207 CZ ARG A 133 -21.554 19.664 -25.835 1.00 38.61 C ATOM 1208 NH1 ARG A 133 -22.556 20.492 -26.034 1.00 33.29 N ATOM 1209 NH2 ARG A 133 -21.391 19.105 -24.638 1.00 38.60 N ATOM 1210 HE ARG A 133 -19.964 18.695 -26.651 1.00 0.00 H ATOM 1211 HH12 ARG A 133 -23.205 20.720 -25.254 1.00 0.00 H ATOM 1212 HH11 ARG A 133 -22.700 20.918 -26.972 1.00 0.00 H ATOM 1213 HH22 ARG A 133 -22.043 19.338 -23.862 1.00 0.00 H ATOM 1214 HH21 ARG A 133 -20.611 18.435 -24.479 1.00 0.00 H ATOM 1215 H ARG A 133 -18.606 23.208 -28.503 1.00 0.00 H ATOM 1216 N SER A 134 -18.660 23.809 -31.740 1.00 38.00 N ATOM 1217 CA SER A 134 -18.757 24.435 -33.049 1.00 36.15 C ATOM 1218 C SER A 134 -17.434 25.012 -33.521 1.00 35.08 C ATOM 1219 O SER A 134 -17.330 25.392 -34.689 1.00 42.43 O ATOM 1220 CB SER A 134 -19.813 25.547 -33.027 1.00 35.88 C ATOM 1221 OG SER A 134 -19.408 26.563 -32.135 1.00 29.68 O ATOM 1222 HG SER A 134 -19.309 26.183 -31.226 1.00 0.00 H ATOM 1223 H SER A 134 -18.965 24.332 -30.895 1.00 0.00 H ATOM 1224 N GLY A 135 -16.430 25.079 -32.652 1.00 34.29 N ATOM 1225 CA GLY A 135 -15.144 25.631 -33.020 1.00 35.60 C ATOM 1226 C GLY A 135 -15.097 27.141 -33.068 1.00 34.35 C ATOM 1227 O GLY A 135 -14.194 27.691 -33.696 1.00 36.19 O ATOM 1228 H GLY A 135 -16.572 24.726 -31.684 1.00 0.00 H ATOM 1229 N LEU A 136 -16.041 27.828 -32.415 1.00 34.45 N ATOM 1230 CA LEU A 136 -16.107 29.288 -32.500 1.00 33.92 C ATOM 1231 C LEU A 136 -14.922 29.948 -31.798 1.00 42.36 C ATOM 1232 O LEU A 136 -14.304 30.869 -32.345 1.00 41.21 O ATOM 1233 CB LEU A 136 -17.426 29.794 -31.913 1.00 25.18 C ATOM 1234 CG LEU A 136 -17.512 31.333 -31.858 1.00 33.84 C ATOM 1235 CD1 LEU A 136 -17.319 31.965 -33.248 1.00 26.48 C ATOM 1236 CD2 LEU A 136 -18.831 31.793 -31.227 1.00 25.52 C ATOM 1237 H LEU A 136 -16.739 27.317 -31.838 1.00 0.00 H ATOM 1238 N PHE A 137 -14.593 29.511 -30.585 1.00 38.34 N ATOM 1239 CA PHE A 137 -13.436 30.049 -29.878 1.00 41.87 C ATOM 1240 C PHE A 137 -12.487 28.912 -29.507 1.00 50.97 C ATOM 1241 O PHE A 137 -12.851 27.731 -29.543 1.00 48.28 O ATOM 1242 CB PHE A 137 -13.863 30.836 -28.625 1.00 37.54 C ATOM 1243 CG PHE A 137 -14.795 31.988 -28.911 1.00 42.45 C ATOM 1244 CD1 PHE A 137 -14.372 33.067 -29.676 1.00 42.14 C ATOM 1245 CD2 PHE A 137 -16.087 31.994 -28.412 1.00 36.74 C ATOM 1246 CE1 PHE A 137 -15.225 34.134 -29.946 1.00 43.85 C ATOM 1247 CE2 PHE A 137 -16.946 33.048 -28.670 1.00 36.32 C ATOM 1248 CZ PHE A 137 -16.514 34.126 -29.443 1.00 38.59 C ATOM 1249 H PHE A 137 -15.171 28.773 -30.133 1.00 0.00 H ATOM 1250 N GLN A 138 -11.256 29.280 -29.142 1.00 54.09 N ATOM 1251 CA GLN A 138 -10.251 28.282 -28.784 1.00 56.73 C ATOM 1252 C GLN A 138 -10.687 27.487 -27.559 1.00 57.84 C ATOM 1253 O GLN A 138 -11.089 28.061 -26.540 1.00 52.36 O ATOM 1254 CB GLN A 138 -8.903 28.951 -28.521 1.00 63.67 C ATOM 1255 CG GLN A 138 -8.367 29.757 -29.691 1.00 71.66 C ATOM 1256 CD GLN A 138 -7.181 30.624 -29.303 1.00 85.17 C ATOM 1257 OE1 GLN A 138 -6.379 30.253 -28.445 1.00 91.53 O ATOM 1258 NE2 GLN A 138 -7.073 31.795 -29.928 1.00 85.24 N ATOM 1259 HE22 GLN A 138 -7.774 32.068 -30.646 1.00 0.00 H ATOM 1260 HE21 GLN A 138 -6.288 32.437 -29.698 1.00 0.00 H ATOM 1261 H GLN A 138 -11.010 30.290 -29.112 1.00 0.00 H ATOM 1262 N LYS A 139 -10.606 26.156 -27.666 1.00 57.53 N ATOM 1263 CA LYS A 139 -10.984 25.295 -26.550 1.00 61.55 C ATOM 1264 C LYS A 139 -10.205 25.637 -25.290 1.00 67.24 C ATOM 1265 O LYS A 139 -10.750 25.555 -24.182 1.00 62.34 O ATOM 1266 CB LYS A 139 -10.772 23.835 -26.928 1.00 67.86 C ATOM 1267 CG LYS A 139 -11.616 23.423 -28.110 1.00 75.33 C ATOM 1268 CD LYS A 139 -11.493 21.945 -28.432 1.00 82.30 C ATOM 1269 CE LYS A 139 -12.519 21.576 -29.495 1.00 84.00 C ATOM 1270 NZ LYS A 139 -12.765 22.733 -30.425 1.00 77.49 N ATOM 1271 HZ1 LYS A 139 -13.122 23.544 -29.881 1.00 0.00 H ATOM 1272 HZ2 LYS A 139 -11.874 22.994 -30.894 1.00 0.00 H ATOM 1273 HZ3 LYS A 139 -13.468 22.458 -31.141 1.00 0.00 H ATOM 1274 H LYS A 139 -10.270 25.730 -28.554 1.00 0.00 H ATOM 1275 N SER A 140 -8.943 26.042 -25.445 1.00 71.06 N ATOM 1276 CA SER A 140 -8.139 26.455 -24.301 1.00 79.62 C ATOM 1277 C SER A 140 -8.775 27.641 -23.588 1.00 76.06 C ATOM 1278 O SER A 140 -8.950 27.625 -22.365 1.00 81.65 O ATOM 1279 CB SER A 140 -6.721 26.798 -24.760 1.00 90.60 C ATOM 1280 OG SER A 140 -6.606 26.695 -26.171 1.00 94.91 O ATOM 1281 HG SER A 140 -5.681 26.921 -26.443 1.00 0.00 H ATOM 1282 H SER A 140 -8.526 26.063 -26.398 1.00 0.00 H ATOM 1283 N TYR A 141 -9.123 28.685 -24.341 1.00 69.99 N ATOM 1284 CA TYR A 141 -9.800 29.836 -23.751 1.00 65.30 C ATOM 1285 C TYR A 141 -11.037 29.407 -22.977 1.00 59.61 C ATOM 1286 O TYR A 141 -11.269 29.854 -21.846 1.00 54.31 O ATOM 1287 CB TYR A 141 -10.200 30.832 -24.837 1.00 60.22 C ATOM 1288 CG TYR A 141 -9.092 31.724 -25.319 1.00 63.25 C ATOM 1289 CD1 TYR A 141 -7.761 31.424 -25.055 1.00 66.22 C ATOM 1290 CD2 TYR A 141 -9.381 32.883 -26.029 1.00 60.40 C ATOM 1291 CE1 TYR A 141 -6.746 32.248 -25.499 1.00 73.42 C ATOM 1292 CE2 TYR A 141 -8.376 33.716 -26.474 1.00 70.16 C ATOM 1293 CZ TYR A 141 -7.060 33.395 -26.206 1.00 74.78 C ATOM 1294 OH TYR A 141 -6.058 34.227 -26.651 1.00 80.87 O ATOM 1295 HH TYR A 141 -5.180 33.859 -26.379 1.00 0.00 H ATOM 1296 H TYR A 141 -8.910 28.679 -25.359 1.00 0.00 H ATOM 1297 N LEU A 142 -11.844 28.533 -23.582 1.00 51.03 N ATOM 1298 CA LEU A 142 -13.140 28.195 -23.013 1.00 44.34 C ATOM 1299 C LEU A 142 -12.988 27.318 -21.779 1.00 54.69 C ATOM 1300 O LEU A 142 -13.625 27.565 -20.748 1.00 55.21 O ATOM 1301 CB LEU A 142 -14.001 27.506 -24.073 1.00 42.24 C ATOM 1302 CG LEU A 142 -14.279 28.307 -25.349 1.00 43.95 C ATOM 1303 CD1 LEU A 142 -15.178 27.535 -26.305 1.00 43.56 C ATOM 1304 CD2 LEU A 142 -14.911 29.642 -25.010 1.00 44.60 C ATOM 1305 H LEU A 142 -11.543 28.087 -24.472 1.00 0.00 H ATOM 1306 N ASN A 143 -12.148 26.284 -21.866 1.00 58.93 N ATOM 1307 CA ASN A 143 -11.926 25.423 -20.709 1.00 64.87 C ATOM 1308 C ASN A 143 -11.354 26.215 -19.540 1.00 63.42 C ATOM 1309 O ASN A 143 -11.727 25.983 -18.384 1.00 67.00 O ATOM 1310 CB ASN A 143 -11.006 24.261 -21.089 1.00 73.75 C ATOM 1311 CG ASN A 143 -11.709 23.213 -21.941 1.00 79.24 C ATOM 1312 OD1 ASN A 143 -12.854 23.400 -22.366 1.00 75.68 O ATOM 1313 ND2 ASN A 143 -11.024 22.101 -22.195 1.00 87.28 N ATOM 1314 HD22 ASN A 143 -10.062 21.985 -21.817 1.00 0.00 H ATOM 1315 HD21 ASN A 143 -11.450 21.348 -22.771 1.00 0.00 H ATOM 1316 H ASN A 143 -11.651 26.092 -22.759 1.00 0.00 H ATOM 1317 N ALA A 144 -10.469 27.175 -19.828 1.00 60.79 N ATOM 1318 CA ALA A 144 -9.941 28.059 -18.793 1.00 62.15 C ATOM 1319 C ALA A 144 -11.062 28.746 -18.026 1.00 65.70 C ATOM 1320 O ALA A 144 -11.088 28.726 -16.791 1.00 70.20 O ATOM 1321 CB ALA A 144 -9.014 29.105 -19.416 1.00 60.64 C ATOM 1322 H ALA A 144 -10.150 27.295 -20.811 1.00 0.00 H ATOM 1323 N ILE A 145 -11.992 29.377 -18.751 1.00 56.83 N ATOM 1324 CA ILE A 145 -13.150 29.994 -18.108 1.00 52.43 C ATOM 1325 C ILE A 145 -13.944 28.958 -17.322 1.00 53.46 C ATOM 1326 O ILE A 145 -14.419 29.229 -16.210 1.00 55.79 O ATOM 1327 CB ILE A 145 -14.032 30.696 -19.159 1.00 51.20 C ATOM 1328 CG1 ILE A 145 -13.375 31.985 -19.633 1.00 54.34 C ATOM 1329 CG2 ILE A 145 -15.411 30.984 -18.593 1.00 48.85 C ATOM 1330 CD1 ILE A 145 -13.361 33.079 -18.579 1.00 61.58 C ATOM 1331 H ILE A 145 -11.890 29.429 -19.785 1.00 0.00 H ATOM 1332 N ARG A 146 -14.103 27.755 -17.884 1.00 51.35 N ATOM 1333 CA ARG A 146 -14.894 26.732 -17.207 1.00 58.96 C ATOM 1334 C ARG A 146 -14.281 26.365 -15.861 1.00 61.82 C ATOM 1335 O ARG A 146 -15.000 26.093 -14.894 1.00 65.36 O ATOM 1336 CB ARG A 146 -15.036 25.494 -18.095 1.00 63.31 C ATOM 1337 CG ARG A 146 -16.415 24.854 -17.996 1.00 60.02 C ATOM 1338 CD ARG A 146 -16.540 23.554 -18.781 1.00 66.39 C ATOM 1339 NE ARG A 146 -16.491 23.756 -20.223 1.00 70.07 N ATOM 1340 CZ ARG A 146 -15.560 23.235 -21.012 1.00 79.56 C ATOM 1341 NH1 ARG A 146 -14.610 22.467 -20.492 1.00 86.18 N ATOM 1342 NH2 ARG A 146 -15.583 23.471 -22.318 1.00 77.12 N ATOM 1343 HE ARG A 146 -17.230 24.343 -20.660 1.00 0.00 H ATOM 1344 HH12 ARG A 146 -13.878 22.057 -21.107 1.00 0.00 H ATOM 1345 HH11 ARG A 146 -14.597 22.276 -19.470 1.00 0.00 H ATOM 1346 HH22 ARG A 146 -14.852 23.061 -22.933 1.00 0.00 H ATOM 1347 HH21 ARG A 146 -16.332 24.066 -22.726 1.00 0.00 H ATOM 1348 H ARG A 146 -13.663 27.548 -18.803 1.00 0.00 H ATOM 1349 N SER A 147 -12.954 26.385 -15.767 1.00 63.79 N ATOM 1350 CA SER A 147 -12.301 26.014 -14.520 1.00 71.29 C ATOM 1351 C SER A 147 -12.314 27.142 -13.501 1.00 77.04 C ATOM 1352 O SER A 147 -12.474 26.884 -12.304 1.00 85.62 O ATOM 1353 CB SER A 147 -10.867 25.575 -14.802 1.00 76.24 C ATOM 1354 OG SER A 147 -10.863 24.454 -15.668 1.00 75.49 O ATOM 1355 HG SER A 147 -11.303 24.696 -16.521 1.00 0.00 H ATOM 1356 H SER A 147 -12.381 26.667 -16.588 1.00 0.00 H ATOM 1357 N LYS A 148 -12.157 28.387 -13.945 1.00 73.04 N ATOM 1358 CA LYS A 148 -12.032 29.512 -13.026 1.00 70.92 C ATOM 1359 C LYS A 148 -13.376 30.014 -12.513 1.00 68.81 C ATOM 1360 O LYS A 148 -13.521 30.269 -11.313 1.00 72.78 O ATOM 1361 CB LYS A 148 -11.278 30.664 -13.699 1.00 64.62 C ATOM 1362 CG LYS A 148 -11.535 32.016 -13.061 1.00 69.54 C ATOM 1363 CD LYS A 148 -10.995 33.164 -13.919 1.00 79.01 C ATOM 1364 CE LYS A 148 -11.859 34.421 -13.778 1.00 75.23 C ATOM 1365 NZ LYS A 148 -11.174 35.655 -14.262 1.00 77.57 N ATOM 1366 HZ1 LYS A 148 -10.304 35.805 -13.713 1.00 0.00 H ATOM 1367 HZ2 LYS A 148 -10.935 35.546 -15.268 1.00 0.00 H ATOM 1368 HZ3 LYS A 148 -11.807 36.471 -14.141 1.00 0.00 H ATOM 1369 H LYS A 148 -12.123 28.561 -14.970 1.00 0.00 H ATOM 1370 N CYS A 149 -14.367 30.155 -13.391 1.00 66.12 N ATOM 1371 CA CYS A 149 -15.593 30.853 -13.029 1.00 66.50 C ATOM 1372 C CYS A 149 -16.688 29.932 -12.500 1.00 66.86 C ATOM 1373 O CYS A 149 -17.607 30.413 -11.825 1.00 64.80 O ATOM 1374 CB CYS A 149 -16.100 31.649 -14.235 1.00 61.11 C ATOM 1375 SG CYS A 149 -14.811 32.717 -14.960 1.00 65.04 S ATOM 1376 H CYS A 149 -14.264 29.761 -14.348 1.00 0.00 H ATOM 1377 N PHE A 150 -16.611 28.632 -12.765 1.00 73.45 N ATOM 1378 CA PHE A 150 -17.615 27.696 -12.256 1.00 76.47 C ATOM 1379 C PHE A 150 -17.035 26.789 -11.170 1.00 78.85 C ATOM 1380 O PHE A 150 -15.821 26.594 -11.090 1.00 82.96 O ATOM 1381 CB PHE A 150 -18.193 26.845 -13.393 1.00 69.86 C ATOM 1382 CG PHE A 150 -18.946 27.636 -14.430 1.00 62.45 C ATOM 1383 CD1 PHE A 150 -20.203 28.150 -14.152 1.00 61.45 C ATOM 1384 CD2 PHE A 150 -18.407 27.846 -15.689 1.00 52.39 C ATOM 1385 CE1 PHE A 150 -20.905 28.865 -15.105 1.00 59.18 C ATOM 1386 CE2 PHE A 150 -19.104 28.556 -16.650 1.00 49.18 C ATOM 1387 CZ PHE A 150 -20.354 29.071 -16.358 1.00 50.47 C ATOM 1388 H PHE A 150 -15.825 28.274 -13.344 1.00 0.00 H TER 1389 PHE A 150 HETATM 1390 O HOH 1 -25.976 19.222 -24.079 1.00 40.18 O HETATM 1391 O HOH 2 -28.385 12.963 -29.664 1.00 35.07 O HETATM 1392 O HOH 3 -23.407 24.388 -38.219 1.00 68.87 O HETATM 1393 O HOH 4 -27.926 31.410 -34.052 1.00 39.78 O HETATM 1394 O HOH 5 -33.884 32.392 -25.203 1.00 30.58 O HETATM 1395 O HOH 6 -23.711 17.737 -30.185 1.00 50.29 O HETATM 1396 O HOH 7 -31.608 30.657 -33.965 1.00 48.74 O HETATM 1397 O HOH 8 -33.686 32.141 -32.625 1.00 38.77 O HETATM 1398 O HOH 9 -24.721 13.036 -28.164 1.00 41.65 O HETATM 1399 O HOH 10 -28.063 22.766 -35.286 1.00 52.11 O HETATM 1400 O HOH 11 -29.425 27.693 -33.927 1.00 62.94 O HETATM 1401 O HOH 12 -38.397 39.604 -22.423 1.00 58.77 O HETATM 1402 O HOH 13 -30.089 45.515 -22.367 1.00 36.03 O HETATM 1403 O HOH 14 -27.444 37.102 -17.058 1.00 38.17 O HETATM 1404 O HOH 15 -29.937 36.084 -40.062 1.00 54.62 O HETATM 1405 O HOH 16 -30.365 37.884 -20.430 1.00 39.56 O HETATM 1406 O HOH 17 -18.305 32.027 -47.471 1.00 68.33 O HETATM 1407 O HOH 18 -13.831 25.102 -29.898 1.00 56.57 O HETATM 1408 O HOH 19 -30.155 34.290 -34.991 1.00 39.51 O HETATM 1409 O HOH 20 -29.343 41.355 -23.500 1.00 35.70 O HETATM 1410 O HOH 21 -23.791 41.632 -27.160 1.00 29.00 O HETATM 1411 O HOH 22 -10.391 36.367 -24.445 1.00 39.69 O HETATM 1412 O HOH 23 -32.396 34.338 -33.381 1.00 35.80 O HETATM 1413 O HOH 24 -13.267 43.159 -35.659 1.00 35.91 O HETATM 1414 O HOH 25 -18.905 50.442 -32.891 1.00 39.04 O HETATM 1415 O HOH 26 -13.949 45.190 -34.168 1.00 38.27 O HETATM 1416 O HOH 27 -22.669 46.358 -47.264 1.00 47.88 O HETATM 1417 O HOH 28 -10.703 33.954 -37.106 1.00 56.63 O HETATM 1418 O HOH 29 -27.455 49.467 -45.223 1.00 56.82 O HETATM 1419 O HOH 30 -23.642 20.088 -23.321 1.00 34.70 O HETATM 1420 O HOH 31 -20.320 40.268 -20.302 1.00 34.97 O HETATM 1421 O HOH 32 -22.071 49.144 -44.944 1.00 48.57 O HETATM 1422 O HOH 33 -31.283 31.008 -10.649 1.00 49.95 O HETATM 1423 O HOH 34 -25.976 32.017 -36.115 1.00 35.35 O HETATM 1424 O HOH 35 -25.339 50.573 -43.266 1.00 40.74 O HETATM 1425 O HOH 36 -29.663 54.965 -33.545 1.00 48.82 O HETATM 1426 O HOH 37 -35.219 43.490 -17.072 1.00 79.86 O HETATM 1427 O HOH 38 -13.199 26.447 -36.123 1.00 65.99 O HETATM 1428 O HOH 39 -6.866 38.156 -24.974 1.00 67.44 O HETATM 1429 O HOH 40 -27.605 28.387 -23.472 1.00 34.81 O HETATM 1430 O HOH 41 -24.991 29.963 -37.488 1.00 45.44 O HETATM 1431 O HOH 42 -29.023 36.671 -14.111 1.00 43.68 O HETATM 1432 O HOH 43 -23.732 32.168 -42.312 1.00 45.86 O HETATM 1433 O HOH 44 -10.539 38.587 -22.612 1.00 42.53 O HETATM 1434 O HOH 45 -33.189 54.257 -36.010 1.00 54.25 O HETATM 1435 O HOH 46 -37.349 35.721 -23.931 1.00 45.73 O HETATM 1436 O HOH 47 -27.540 28.338 -35.705 1.00 57.29 O HETATM 1437 O HOH 48 -14.391 46.394 -40.723 1.00 37.32 O HETATM 1438 O HOH 49 -12.892 35.575 -43.444 1.00 34.39 O HETATM 1439 O HOH 50 -22.232 27.048 -36.373 1.00 41.32 O HETATM 1440 O HOH 51 -31.699 42.972 -40.929 1.00 47.84 O HETATM 1441 O HOH 52 -10.462 32.285 -29.354 1.00 50.44 O HETATM 1442 O HOH 53 -29.463 43.937 -43.544 1.00 40.11 O HETATM 1443 O HOH 54 -27.959 45.812 -13.639 1.00 41.71 O HETATM 1444 O HOH 55 -26.436 54.966 -40.605 1.00 42.95 O HETATM 1445 O HOH 56 -30.061 34.255 -37.492 1.00 37.86 O HETATM 1446 N ASP A 57 -40.793 34.094 -27.990 1.00 0.24 N HETATM 1447 CA ASP A 57 -39.746 34.697 -28.811 1.00 0.08 C HETATM 1448 C ASP A 57 -38.377 34.486 -28.168 1.00 0.23 C HETATM 1449 O ASP A 57 -37.606 35.432 -27.977 1.00 -0.39 O HETATM 1450 N ASP A 57 -38.076 33.241 -27.818 1.00 -0.26 N HETATM 1451 CA ASP A 57 -36.791 32.963 -27.204 1.00 0.14 C HETATM 1452 C ASP A 57 -35.730 32.807 -28.290 1.00 0.21 C HETATM 1453 O ASP A 57 -36.010 32.884 -29.489 1.00 -0.39 O HETATM 1454 N ASP A 57 -34.493 32.576 -27.871 1.00 -0.26 N HETATM 1455 CA ASP A 57 -33.387 32.376 -28.795 1.00 0.14 C HETATM 1456 C ASP A 57 -33.194 30.881 -29.016 1.00 0.21 C HETATM 1457 O ASP A 57 -32.881 30.154 -28.069 1.00 -0.39 O HETATM 1458 N ASP A 57 -33.364 30.425 -30.257 1.00 -0.26 N HETATM 1459 CA ASP A 57 -33.239 29.001 -30.561 1.00 0.13 C HETATM 1460 C ASP A 57 -31.773 28.612 -30.730 1.00 0.20 C HETATM 1461 O ASP A 57 -31.120 29.027 -31.691 1.00 -0.39 O HETATM 1462 N ASP A 57 -31.275 27.782 -29.827 1.00 -0.26 N HETATM 1463 CA ASP A 57 -29.903 27.306 -29.870 1.00 0.13 C HETATM 1464 C ASP A 57 -29.767 26.137 -30.847 1.00 0.21 C HETATM 1465 O ASP A 57 -30.748 25.451 -31.145 1.00 -0.39 O HETATM 1466 N ASP A 57 -28.545 25.885 -31.370 1.00 -0.25 N HETATM 1467 CA ASP A 57 -28.362 24.859 -32.410 1.00 0.13 C HETATM 1468 C ASP A 57 -28.252 23.460 -31.825 1.00 0.20 C HETATM 1469 O ASP A 57 -27.265 23.116 -31.162 1.00 -0.39 O HETATM 1470 N ASP A 57 -29.245 22.619 -32.129 1.00 -0.26 N HETATM 1471 CA ASP A 57 -29.316 21.277 -31.548 1.00 0.13 C HETATM 1472 C ASP A 57 -28.113 20.426 -31.933 1.00 0.20 C HETATM 1473 O ASP A 57 -27.647 19.605 -31.130 1.00 -0.39 O HETATM 1474 N ASP A 57 -27.580 20.612 -33.145 1.00 -0.26 N HETATM 1475 CA ASP A 57 -26.433 19.817 -33.569 1.00 0.13 C HETATM 1476 C ASP A 57 -25.213 20.032 -32.680 1.00 0.20 C HETATM 1477 O ASP A 57 -24.299 19.210 -32.704 1.00 -0.39 O HETATM 1478 N ASP A 57 -25.175 21.109 -31.895 1.00 -0.26 N HETATM 1479 CA ASP A 57 -24.072 21.345 -30.973 1.00 0.14 C HETATM 1480 C ASP A 57 -24.471 21.128 -29.522 1.00 0.21 C HETATM 1481 O ASP A 57 -23.688 21.433 -28.618 1.00 -0.39 O HETATM 1482 N ASP A 57 -25.655 20.590 -29.275 1.00 -0.26 N HETATM 1483 CA ASP A 57 -26.167 20.398 -27.928 1.00 0.13 C HETATM 1484 C ASP A 57 -26.274 18.921 -27.575 1.00 0.20 C HETATM 1485 O ASP A 57 -25.741 18.476 -26.556 1.00 -0.39 O HETATM 1486 N ASP A 57 -26.960 18.144 -28.407 1.00 -0.27 N HETATM 1487 CA ASP A 57 -27.385 16.808 -28.011 1.00 0.12 C HETATM 1488 C ASP A 57 -26.293 15.744 -28.214 1.00 0.06 C HETATM 1489 O ASP A 57 -25.477 15.842 -29.134 1.00 -0.57 O HETATM 1490 OXT ASP A 57 -26.210 14.770 -27.461 1.00 -0.57 O HETATM 1491 CB ASP A 57 -28.650 16.392 -28.781 1.00 0.09 C HETATM 1492 OG1 ASP A 57 -29.073 15.093 -28.344 1.00 -0.39 O HETATM 1493 H89 ASP A 57 -28.381 14.464 -28.509 1.00 0.21 H HETATM 1494 CG2 ASP A 57 -28.373 16.359 -30.279 1.00 -0.04 C HETATM 1495 H90 ASP A 57 -29.286 16.060 -30.814 1.00 0.03 H HETATM 1496 H91 ASP A 57 -27.572 15.635 -30.488 1.00 0.03 H HETATM 1497 H92 ASP A 57 -28.061 17.358 -30.616 1.00 0.03 H HETATM 1498 H88 ASP A 57 -29.449 17.120 -28.579 1.00 0.06 H HETATM 1499 H87 ASP A 57 -27.628 16.841 -26.939 1.00 0.08 H HETATM 1500 H86 ASP A 57 -27.188 18.482 -29.320 1.00 0.19 H HETATM 1501 CB ASP A 57 -27.530 21.102 -27.757 1.00 -0.00 C HETATM 1502 CG1 ASP A 57 -27.363 22.614 -27.929 1.00 -0.05 C HETATM 1503 CD1 ASP A 57 -28.670 23.357 -28.025 1.00 -0.06 C HETATM 1504 H83 ASP A 57 -28.472 24.432 -28.147 1.00 0.02 H HETATM 1505 H84 ASP A 57 -29.253 23.193 -27.107 1.00 0.02 H HETATM 1506 H85 ASP A 57 -29.239 22.988 -28.892 1.00 0.02 H HETATM 1507 H78 ASP A 57 -26.790 22.798 -28.849 1.00 0.03 H HETATM 1508 H79 ASP A 57 -26.804 23.003 -27.065 1.00 0.03 H HETATM 1509 CG2 ASP A 57 -28.127 20.732 -26.413 1.00 -0.06 C HETATM 1510 H80 ASP A 57 -28.224 19.639 -26.344 1.00 0.02 H HETATM 1511 H81 ASP A 57 -29.119 21.195 -26.312 1.00 0.02 H HETATM 1512 H82 ASP A 57 -27.470 21.093 -25.608 1.00 0.02 H HETATM 1513 H77 ASP A 57 -28.211 20.744 -28.543 1.00 0.03 H HETATM 1514 H76 ASP A 57 -25.456 20.861 -27.228 1.00 0.08 H HETATM 1515 H75 ASP A 57 -26.221 20.303 -30.048 1.00 0.19 H HETATM 1516 CB ASP A 57 -23.515 22.756 -31.173 1.00 0.02 C HETATM 1517 CG ASP A 57 -22.931 22.948 -32.545 1.00 -0.05 C HETATM 1518 CD1 ASP A 57 -21.997 22.045 -33.050 1.00 -0.07 C HETATM 1519 CE1 ASP A 57 -21.469 22.205 -34.313 1.00 -0.04 C HETATM 1520 CZ ASP A 57 -21.871 23.268 -35.092 1.00 0.08 C HETATM 1521 CE2 ASP A 57 -22.802 24.173 -34.620 1.00 -0.04 C HETATM 1522 CD2 ASP A 57 -23.332 24.005 -33.353 1.00 -0.07 C HETATM 1523 H71 ASP A 57 -24.071 24.708 -32.985 1.00 0.05 H HETATM 1524 H73 ASP A 57 -23.115 25.008 -35.237 1.00 0.05 H HETATM 1525 OH ASP A 57 -21.343 23.434 -36.349 1.00 -0.34 O HETATM 1526 H74 ASP A 57 -22.043 23.407 -36.991 1.00 0.25 H HETATM 1527 H72 ASP A 57 -20.740 21.497 -34.692 1.00 0.05 H HETATM 1528 H70 ASP A 57 -21.682 21.206 -32.441 1.00 0.05 H HETATM 1529 H68 ASP A 57 -22.729 22.936 -30.425 1.00 0.05 H HETATM 1530 H69 ASP A 57 -24.329 23.482 -31.030 1.00 0.05 H HETATM 1531 H67 ASP A 57 -23.275 20.625 -31.211 1.00 0.08 H HETATM 1532 H66 ASP A 57 -25.923 21.772 -31.940 1.00 0.19 H HETATM 1533 CB ASP A 57 -26.077 20.127 -35.023 1.00 -0.00 C HETATM 1534 CG ASP A 57 -25.218 21.360 -35.212 1.00 0.00 C HETATM 1535 CD ASP A 57 -24.676 21.471 -36.626 1.00 0.04 C HETATM 1536 OE1 ASP A 57 -24.955 22.492 -37.296 1.00 -0.57 O HETATM 1537 OE2 ASP A 57 -23.979 20.533 -37.071 1.00 -0.57 O HETATM 1538 H64 ASP A 57 -24.372 21.313 -34.511 1.00 0.04 H HETATM 1539 H65 ASP A 57 -25.825 22.251 -34.995 1.00 0.04 H HETATM 1540 H62 ASP A 57 -27.013 20.272 -35.582 1.00 0.03 H HETATM 1541 H63 ASP A 57 -25.534 19.264 -35.435 1.00 0.03 H HETATM 1542 H61 ASP A 57 -26.717 18.756 -33.502 1.00 0.08 H HETATM 1543 H60 ASP A 57 -27.968 21.297 -33.761 1.00 0.19 H HETATM 1544 CB ASP A 57 -30.622 20.606 -31.984 1.00 -0.00 C HETATM 1545 CG ASP A 57 -30.940 19.284 -31.269 1.00 -0.00 C HETATM 1546 SD ASP A 57 -31.080 19.481 -29.476 1.00 -0.16 S HETATM 1547 CE ASP A 57 -32.243 20.842 -29.341 1.00 -0.02 C HETATM 1548 H57 ASP A 57 -32.420 21.069 -28.279 1.00 0.03 H HETATM 1549 H58 ASP A 57 -33.193 20.561 -29.820 1.00 0.03 H HETATM 1550 H59 ASP A 57 -31.828 21.730 -29.841 1.00 0.03 H HETATM 1551 H55 ASP A 57 -30.135 18.565 -31.483 1.00 0.04 H HETATM 1552 H56 ASP A 57 -31.893 18.894 -31.656 1.00 0.04 H HETATM 1553 H53 ASP A 57 -30.559 20.404 -33.063 1.00 0.03 H HETATM 1554 H54 ASP A 57 -31.448 21.307 -31.790 1.00 0.03 H HETATM 1555 H52 ASP A 57 -29.324 21.376 -30.453 1.00 0.08 H HETATM 1556 H51 ASP A 57 -29.956 22.913 -32.768 1.00 0.19 H HETATM 1557 CB ASP A 57 -27.057 25.294 -33.095 1.00 -0.01 C HETATM 1558 CG ASP A 57 -26.266 25.924 -31.978 1.00 -0.03 C HETATM 1559 CD ASP A 57 -27.306 26.655 -31.136 1.00 0.04 C HETATM 1560 H49 ASP A 57 -27.030 26.641 -30.071 1.00 0.05 H HETATM 1561 H50 ASP A 57 -27.421 27.696 -31.471 1.00 0.05 H HETATM 1562 H47 ASP A 57 -25.524 26.631 -32.378 1.00 0.03 H HETATM 1563 H48 ASP A 57 -25.755 25.154 -31.381 1.00 0.03 H HETATM 1564 H45 ASP A 57 -27.257 26.022 -33.895 1.00 0.03 H HETATM 1565 H46 ASP A 57 -26.525 24.427 -33.513 1.00 0.03 H HETATM 1566 H44 ASP A 57 -29.199 24.880 -33.123 1.00 0.08 H HETATM 1567 CB ASP A 57 -29.472 26.893 -28.469 1.00 -0.01 C HETATM 1568 CG ASP A 57 -29.299 28.077 -27.515 1.00 -0.04 C HETATM 1569 CD1 ASP A 57 -29.345 27.612 -26.081 1.00 -0.06 C HETATM 1570 H38 ASP A 57 -29.219 28.476 -25.411 1.00 0.02 H HETATM 1571 H39 ASP A 57 -28.535 26.889 -25.904 1.00 0.02 H HETATM 1572 H40 ASP A 57 -30.315 27.132 -25.882 1.00 0.02 H HETATM 1573 CD2 ASP A 57 -27.976 28.768 -27.802 1.00 -0.06 C HETATM 1574 H41 ASP A 57 -27.956 29.102 -28.850 1.00 0.02 H HETATM 1575 H42 ASP A 57 -27.149 28.064 -27.625 1.00 0.02 H HETATM 1576 H43 ASP A 57 -27.865 29.638 -27.138 1.00 0.02 H HETATM 1577 H37 ASP A 57 -30.119 28.791 -27.681 1.00 0.03 H HETATM 1578 H35 ASP A 57 -28.512 26.360 -28.542 1.00 0.03 H HETATM 1579 H36 ASP A 57 -30.235 26.219 -28.053 1.00 0.03 H HETATM 1580 H34 ASP A 57 -29.254 28.125 -30.213 1.00 0.08 H HETATM 1581 H33 ASP A 57 -31.868 27.470 -29.084 1.00 0.19 H HETATM 1582 CB ASP A 57 -34.029 28.649 -31.820 1.00 -0.01 C HETATM 1583 CG ASP A 57 -35.504 28.341 -31.574 1.00 -0.04 C HETATM 1584 CD ASP A 57 -36.331 29.593 -31.323 1.00 -0.01 C HETATM 1585 CE ASP A 57 -37.797 29.240 -31.100 1.00 -0.04 C HETATM 1586 NZ ASP A 57 -38.337 28.409 -32.206 1.00 0.22 N HETATM 1587 H30 ASP A 57 -39.305 28.196 -32.024 1.00 0.20 H HETATM 1588 H31 ASP A 57 -37.811 27.552 -32.270 1.00 0.20 H HETATM 1589 H32 ASP A 57 -38.261 28.915 -33.074 1.00 0.20 H HETATM 1590 H28 ASP A 57 -38.381 30.170 -31.035 1.00 0.08 H HETATM 1591 H29 ASP A 57 -37.890 28.682 -30.157 1.00 0.08 H HETATM 1592 H26 ASP A 57 -36.249 30.259 -32.194 1.00 0.03 H HETATM 1593 H27 ASP A 57 -35.944 30.107 -30.431 1.00 0.03 H HETATM 1594 H24 ASP A 57 -35.585 27.684 -30.695 1.00 0.03 H HETATM 1595 H25 ASP A 57 -35.908 27.824 -32.457 1.00 0.03 H HETATM 1596 H22 ASP A 57 -33.565 27.765 -32.281 1.00 0.03 H HETATM 1597 H23 ASP A 57 -33.967 29.500 -32.514 1.00 0.03 H HETATM 1598 H21 ASP A 57 -33.655 28.429 -29.718 1.00 0.08 H HETATM 1599 H20 ASP A 57 -33.581 31.068 -30.992 1.00 0.19 H HETATM 1600 CB ASP A 57 -32.113 32.999 -28.236 1.00 0.02 C HETATM 1601 CG ASP A 57 -30.907 32.787 -29.116 1.00 -0.05 C HETATM 1602 CD1 ASP A 57 -30.875 33.303 -30.408 1.00 -0.07 C HETATM 1603 CE1 ASP A 57 -29.760 33.138 -31.222 1.00 -0.04 C HETATM 1604 CZ ASP A 57 -28.666 32.455 -30.741 1.00 0.08 C HETATM 1605 CE2 ASP A 57 -28.671 31.929 -29.459 1.00 -0.04 C HETATM 1606 CD2 ASP A 57 -29.794 32.101 -28.652 1.00 -0.07 C HETATM 1607 H16 ASP A 57 -29.798 31.693 -27.648 1.00 0.05 H HETATM 1608 H18 ASP A 57 -27.808 31.388 -29.087 1.00 0.05 H HETATM 1609 OH ASP A 57 -27.571 32.280 -31.558 1.00 -0.34 O HETATM 1610 H19 ASP A 57 -27.422 31.351 -31.692 1.00 0.25 H HETATM 1611 H17 ASP A 57 -29.752 33.544 -32.227 1.00 0.05 H HETATM 1612 H15 ASP A 57 -31.735 33.843 -30.787 1.00 0.05 H HETATM 1613 H13 ASP A 57 -31.909 32.552 -27.252 1.00 0.05 H HETATM 1614 H14 ASP A 57 -32.275 34.081 -28.121 1.00 0.05 H HETATM 1615 H12 ASP A 57 -33.627 32.855 -29.756 1.00 0.08 H HETATM 1616 H11 ASP A 57 -34.315 32.538 -26.888 1.00 0.19 H HETATM 1617 CB ASP A 57 -36.887 31.731 -26.304 1.00 0.04 C HETATM 1618 CG ASP A 57 -37.249 30.457 -27.065 1.00 0.04 C HETATM 1619 OD1 ASP A 57 -37.290 30.466 -28.314 1.00 -0.57 O HETATM 1620 OD2 ASP A 57 -37.503 29.432 -26.398 1.00 -0.57 O HETATM 1621 H9 ASP A 57 -37.659 31.914 -25.542 1.00 0.05 H HETATM 1622 H10 ASP A 57 -35.914 31.580 -25.813 1.00 0.05 H HETATM 1623 H8 ASP A 57 -36.512 33.821 -26.575 1.00 0.08 H HETATM 1624 H7 ASP A 57 -38.730 32.501 -27.976 1.00 0.19 H HETATM 1625 CB ASP A 57 -40.008 36.195 -29.015 1.00 0.06 C HETATM 1626 CG ASP A 57 -39.097 36.818 -30.070 1.00 0.04 C HETATM 1627 OD1 ASP A 57 -38.559 36.082 -30.926 1.00 -0.57 O HETATM 1628 OD2 ASP A 57 -38.917 38.053 -30.039 1.00 -0.57 O HETATM 1629 H5 ASP A 57 -39.844 36.714 -28.059 1.00 0.05 H HETATM 1630 H6 ASP A 57 -41.053 36.329 -29.330 1.00 0.05 H HETATM 1631 H4 ASP A 57 -39.750 34.206 -29.795 1.00 0.11 H HETATM 1632 H1 ASP A 57 -41.689 34.242 -28.427 1.00 0.20 H HETATM 1633 H2 ASP A 57 -40.791 34.520 -27.076 1.00 0.20 H HETATM 1634 H3 ASP A 57 -40.622 33.105 -27.900 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 762 763 769 770 771 CONECT 769 762 CONECT 770 762 CONECT 771 762 CONECT 1446 1447 1632 1633 1634 CONECT 1447 1446 1448 1625 1631 CONECT 1448 1447 1449 1450 CONECT 1449 1448 CONECT 1450 1448 1451 1624 CONECT 1451 1450 1452 1617 1623 CONECT 1452 1451 1453 1454 CONECT 1453 1452 CONECT 1454 1452 1455 1616 CONECT 1455 1454 1456 1600 1615 CONECT 1456 1455 1457 1458 CONECT 1457 1456 CONECT 1458 1456 1459 1599 CONECT 1459 1458 1460 1582 1598 CONECT 1460 1459 1461 1462 CONECT 1461 1460 CONECT 1462 1460 1463 1581 CONECT 1463 1462 1464 1567 1580 CONECT 1464 1463 1465 1466 CONECT 1465 1464 CONECT 1466 1464 1467 1559 CONECT 1467 1466 1468 1557 1566 CONECT 1468 1467 1469 1470 CONECT 1469 1468 CONECT 1470 1468 1471 1556 CONECT 1471 1470 1472 1544 1555 CONECT 1472 1471 1473 1474 CONECT 1473 1472 CONECT 1474 1472 1475 1543 CONECT 1475 1474 1476 1533 1542 CONECT 1476 1475 1477 1478 CONECT 1477 1476 CONECT 1478 1476 1479 1532 CONECT 1479 1478 1480 1516 1531 CONECT 1480 1479 1481 1482 CONECT 1481 1480 CONECT 1482 1480 1483 1515 CONECT 1483 1482 1484 1501 1514 CONECT 1484 1483 1485 1486 CONECT 1485 1484 CONECT 1486 1484 1487 1500 CONECT 1487 1486 1488 1491 1499 CONECT 1488 1487 1489 1490 CONECT 1489 1488 CONECT 1490 1488 CONECT 1491 1487 1492 1494 1498 CONECT 1492 1491 1493 CONECT 1493 1492 CONECT 1494 1491 1495 1496 1497 CONECT 1495 1494 CONECT 1496 1494 CONECT 1497 1494 CONECT 1498 1491 CONECT 1499 1487 CONECT 1500 1486 CONECT 1501 1483 1502 1509 1513 CONECT 1502 1501 1503 1507 1508 CONECT 1503 1502 1504 1505 1506 CONECT 1504 1503 CONECT 1505 1503 CONECT 1506 1503 CONECT 1507 1502 CONECT 1508 1502 CONECT 1509 1501 1510 1511 1512 CONECT 1510 1509 CONECT 1511 1509 CONECT 1512 1509 CONECT 1513 1501 CONECT 1514 1483 CONECT 1515 1482 CONECT 1516 1479 1517 1529 1530 CONECT 1517 1516 1518 1522 CONECT 1518 1517 1519 1528 CONECT 1519 1518 1520 1527 CONECT 1520 1519 1521 1525 CONECT 1521 1520 1522 1524 CONECT 1522 1517 1521 1523 CONECT 1523 1522 CONECT 1524 1521 CONECT 1525 1520 1526 CONECT 1526 1525 CONECT 1527 1519 CONECT 1528 1518 CONECT 1529 1516 CONECT 1530 1516 CONECT 1531 1479 CONECT 1532 1478 CONECT 1533 1475 1534 1540 1541 CONECT 1534 1533 1535 1538 1539 CONECT 1535 1534 1536 1537 CONECT 1536 1535 CONECT 1537 1535 CONECT 1538 1534 CONECT 1539 1534 CONECT 1540 1533 CONECT 1541 1533 CONECT 1542 1475 CONECT 1543 1474 CONECT 1544 1471 1545 1553 1554 CONECT 1545 1544 1546 1551 1552 CONECT 1546 1545 1547 CONECT 1547 1546 1548 1549 1550 CONECT 1548 1547 CONECT 1549 1547 CONECT 1550 1547 CONECT 1551 1545 CONECT 1552 1545 CONECT 1553 1544 CONECT 1554 1544 CONECT 1555 1471 CONECT 1556 1470 CONECT 1557 1467 1558 1564 1565 CONECT 1558 1557 1559 1562 1563 CONECT 1559 1466 1558 1560 1561 CONECT 1560 1559 CONECT 1561 1559 CONECT 1562 1558 CONECT 1563 1558 CONECT 1564 1557 CONECT 1565 1557 CONECT 1566 1467 CONECT 1567 1463 1568 1578 1579 CONECT 1568 1567 1569 1573 1577 CONECT 1569 1568 1570 1571 1572 CONECT 1570 1569 CONECT 1571 1569 CONECT 1572 1569 CONECT 1573 1568 1574 1575 1576 CONECT 1574 1573 CONECT 1575 1573 CONECT 1576 1573 CONECT 1577 1568 CONECT 1578 1567 CONECT 1579 1567 CONECT 1580 1463 CONECT 1581 1462 CONECT 1582 1459 1583 1596 1597 CONECT 1583 1582 1584 1594 1595 CONECT 1584 1583 1585 1592 1593 CONECT 1585 1584 1586 1590 1591 CONECT 1586 1585 1587 1588 1589 CONECT 1587 1586 CONECT 1588 1586 CONECT 1589 1586 CONECT 1590 1585 CONECT 1591 1585 CONECT 1592 1584 CONECT 1593 1584 CONECT 1594 1583 CONECT 1595 1583 CONECT 1596 1582 CONECT 1597 1582 CONECT 1598 1459 CONECT 1599 1458 CONECT 1600 1455 1601 1613 1614 CONECT 1601 1600 1602 1606 CONECT 1602 1601 1603 1612 CONECT 1603 1602 1604 1611 CONECT 1604 1603 1605 1609 CONECT 1605 1604 1606 1608 CONECT 1606 1601 1605 1607 CONECT 1607 1606 CONECT 1608 1605 CONECT 1609 1604 1610 CONECT 1610 1609 CONECT 1611 1603 CONECT 1612 1602 CONECT 1613 1600 CONECT 1614 1600 CONECT 1615 1455 CONECT 1616 1454 CONECT 1617 1451 1618 1621 1622 CONECT 1618 1617 1619 1620 CONECT 1619 1618 CONECT 1620 1618 CONECT 1621 1617 CONECT 1622 1617 CONECT 1623 1451 CONECT 1624 1450 CONECT 1625 1447 1626 1629 1630 CONECT 1626 1625 1627 1628 CONECT 1627 1626 CONECT 1628 1626 CONECT 1629 1625 CONECT 1630 1625 CONECT 1631 1447 CONECT 1632 1446 CONECT 1633 1446 CONECT 1634 1446 MASTER 0 0 0 0 0 0 0 0 1632 2 197 11 END
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Entry Information
PDB ID
6o3w
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
yeast Nrd1 CID
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=7.65uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Structure Vol. 27: pp. 1156-1161.e4
Ligand Properties
Formula
C
6
3
H
9
6
N
1
2
O
2
1
S
Molecular Weight
1389.570
Exact Mass
1388.650
No. of atoms
193
No. of bonds
195
Polar Surface Area
572.68
LOGP Value
0.35 (
Computed with XLOGP3
)
-0.16 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 52
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)[C@H](CC)C)Cc1ccc(cc1)O)CCC(=O)O)CCSC)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])CC(=O)O)Cc1ccc(cc1)O
InChI String
InChI=1S/C63H94N12O21S/c1-7-33(4)51(61(93)74-52(34(5)76)63(95)96)73-59(91)44(29-36-15-19-38(78)20-16-36)70-55(87)41(21-22-48(79)80)67-56(88)42(23-26-97-6)68-60(92)47-12-10-25-75(47)62(94)46(27-32(2)3)72-54(86)40(11-8-9-24-64)66-57(89)43(28-35-13-17-37(77)18-14-35)71-58(90)45(31-50(83)84)69-53(85)39(65)30-49(81)82/h13-20,32-34,39-47,51-52,76-78H,7-12,21-31,64-65H2,1-6H3,(H,66,89)(H,67,88)(H,68,92)(H,69,85)(H,70,87)(H,71,90)(H,72,86)(H,73,91)(H,74,93)(H,79,80)(H,81,82)(H,83,84)(H,95,96)/p+2/t33-,34+,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-,52-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P53617
Q00416
Entrez Gene ID
NCBI Entrez Gene ID:
855470
851150
ASD
Information of known allosteric effects of PDB entries
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娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
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