Browse entries in the PDBbind-CN Database
HEADER 6C8C_COMPLEX COMPND 6C8C_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 SER HIS MET LYS SER PHE PHE ASP LYS LYS ARG SER GLU SEQRES 2 A 119 ARG ILE SER ASN GLY GLY PHE ARG PRO ALA ALA PRO ASN SEQRES 3 A 119 LEU ALA GLY ALA VAL GLU PHE SER ASP VAL LYS THR LEU SEQRES 4 A 119 LEU LYS GLU TRP ILE THR THR ILE SER ASP PRO MET GLU SEQRES 5 A 119 GLU ASP ILE LEU GLN VAL VAL ARG TYR CYS THR ASP LEU SEQRES 6 A 119 ILE GLU GLU LYS ASP LEU GLU LYS LEU ASP LEU VAL ILE SEQRES 7 A 119 LYS TYR MET LYS ARG LEU MET GLN GLN SER VAL GLU SER SEQRES 8 A 119 VAL TRP ASN MET ALA PHE ASP PHE ILE LEU ASP ASN VAL SEQRES 9 A 119 GLN VAL VAL LEU GLN GLN THR TYR GLY SER THR LEU LYS SEQRES 10 A 119 VAL THR SEQRES 1 B 85 MET LYS SER PHE PHE ASP LYS LYS ARG SER GLU ARG ILE SEQRES 2 B 85 SER ASN GLY GLY PHE ARG PRO ALA ALA PRO ASN LEU ALA SEQRES 3 B 85 GLY ALA VAL GLU PHE SER ASP VAL LYS THR LEU LEU LYS SEQRES 4 B 85 GLU TRP ILE THR THR ILE SER ASP PRO MET GLU GLU ASP SEQRES 5 B 85 ILE LEU GLN VAL VAL ARG TYR CYS THR ASP LEU ILE GLU SEQRES 6 B 85 GLU LYS ASP LEU GLU LYS LEU ASP LEU VAL ILE LYS TYR SEQRES 7 B 85 MET LYS ARG LEU MET GLN GLN SEQRES 1 B 29 SER VAL TRP ASN MET ALA PHE ASP PHE ILE LEU ASP ASN SEQRES 2 B 29 VAL GLN VAL VAL LEU GLN GLN THR TYR GLY SER THR LEU SEQRES 3 B 29 LYS VAL THR HET EQ A 7 46 ATOM 1 N SER A 1 -5.702 -43.794 3.973 1.00 27.13 N ATOM 2 CA SER A 1 -6.158 -43.884 2.591 1.00 23.07 C ATOM 3 C SER A 1 -7.603 -44.333 2.549 1.00 19.92 C ATOM 4 O SER A 1 -8.155 -44.769 3.563 1.00 22.80 O ATOM 5 CB SER A 1 -5.285 -44.850 1.793 1.00 26.80 C ATOM 6 OG SER A 1 -5.445 -46.178 2.249 1.00 32.82 O ATOM 7 HG SER A 1 -6.392 -46.449 2.147 1.00 0.00 H ATOM 8 HN3 SER A 1 -5.784 -44.727 4.425 1.00 0.00 H ATOM 9 HN2 SER A 1 -6.289 -43.106 4.486 1.00 0.00 H ATOM 10 HN1 SER A 1 -4.709 -43.485 3.990 1.00 0.00 H ATOM 11 N HIS A 2 -8.214 -44.246 1.371 1.00 17.66 N ATOM 12 CA HIS A 2 -9.615 -44.600 1.211 1.00 15.12 C ATOM 13 C HIS A 2 -9.802 -45.496 0.003 1.00 14.88 C ATOM 14 O HIS A 2 -9.197 -45.265 -1.046 1.00 17.69 O ATOM 15 CB HIS A 2 -10.486 -43.349 1.057 1.00 15.44 C ATOM 16 CG HIS A 2 -10.464 -42.472 2.263 1.00 19.14 C ATOM 17 ND1 HIS A 2 -9.750 -41.297 2.317 1.00 24.05 N ATOM 18 CD2 HIS A 2 -11.039 -42.622 3.480 1.00 25.31 C ATOM 19 CE1 HIS A 2 -9.897 -40.750 3.511 1.00 26.15 C ATOM 20 NE2 HIS A 2 -10.671 -41.536 4.236 1.00 23.94 N ATOM 21 H HIS A 2 -7.676 -43.917 0.544 1.00 0.00 H ATOM 22 N MET A 3 -10.668 -46.501 0.155 1.00 17.71 N ATOM 23 CA MET A 3 -10.917 -47.466 -0.910 1.00 18.82 C ATOM 24 C MET A 3 -11.329 -46.792 -2.202 1.00 18.38 C ATOM 25 O MET A 3 -10.913 -47.206 -3.291 1.00 21.01 O ATOM 26 CB MET A 3 -12.002 -48.455 -0.475 1.00 23.39 C ATOM 27 CG MET A 3 -11.561 -49.359 0.642 1.00 34.42 C ATOM 28 SD MET A 3 -10.417 -50.596 0.012 1.00 42.08 S ATOM 29 CE MET A 3 -11.480 -51.457 -1.148 1.00 44.82 C ATOM 30 H MET A 3 -11.178 -46.598 1.056 1.00 0.00 H ATOM 31 N LYS A 4 -12.128 -45.736 -2.106 1.00 12.30 N ATOM 32 CA LYS A 4 -12.701 -45.113 -3.288 1.00 16.17 C ATOM 33 C LYS A 4 -11.843 -43.984 -3.842 1.00 13.70 C ATOM 34 O LYS A 4 -12.276 -43.317 -4.785 1.00 16.64 O ATOM 35 CB LYS A 4 -14.112 -44.592 -2.980 1.00 17.48 C ATOM 36 CG LYS A 4 -15.125 -45.705 -2.728 1.00 22.56 C ATOM 37 CD LYS A 4 -16.412 -45.161 -2.131 1.00 26.56 C ATOM 38 CE LYS A 4 -17.486 -46.240 -2.036 1.00 31.12 C ATOM 39 NZ LYS A 4 -16.980 -47.492 -1.409 1.00 30.05 N ATOM 40 HZ1 LYS A 4 -16.194 -47.869 -1.976 1.00 0.00 H ATOM 41 HZ2 LYS A 4 -16.646 -47.285 -0.446 1.00 0.00 H ATOM 42 HZ3 LYS A 4 -17.748 -48.193 -1.368 1.00 0.00 H ATOM 43 H LYS A 4 -12.348 -45.347 -1.167 1.00 0.00 H ATOM 44 N SER A 5 -10.655 -43.738 -3.283 1.00 12.43 N ATOM 45 CA SER A 5 -9.766 -42.705 -3.808 1.00 12.09 C ATOM 46 C SER A 5 -8.981 -43.246 -4.995 1.00 13.92 C ATOM 47 O SER A 5 -8.282 -44.264 -4.877 1.00 15.01 O ATOM 48 CB SER A 5 -8.812 -42.208 -2.729 1.00 12.53 C ATOM 49 OG SER A 5 -7.626 -41.612 -3.291 1.00 11.13 O ATOM 50 HG SER A 5 -7.882 -40.841 -3.857 1.00 0.00 H ATOM 51 H SER A 5 -10.357 -44.294 -2.456 1.00 0.00 H ATOM 52 N PHE A 6 -9.096 -42.558 -6.135 1.00 10.10 N ATOM 53 CA PHE A 6 -8.355 -42.947 -7.329 1.00 12.73 C ATOM 54 C PHE A 6 -6.859 -42.906 -7.075 1.00 13.52 C ATOM 55 O PHE A 6 -6.127 -43.832 -7.438 1.00 13.78 O ATOM 56 CB PHE A 6 -8.722 -42.025 -8.498 1.00 10.55 C ATOM 57 CG PHE A 6 -7.910 -42.262 -9.741 1.00 12.58 C ATOM 58 CD1 PHE A 6 -8.303 -43.218 -10.670 1.00 13.72 C ATOM 59 CD2 PHE A 6 -6.765 -41.527 -9.989 1.00 12.98 C ATOM 60 CE1 PHE A 6 -7.542 -43.441 -11.819 1.00 15.75 C ATOM 61 CE2 PHE A 6 -6.010 -41.739 -11.137 1.00 15.18 C ATOM 62 CZ PHE A 6 -6.394 -42.690 -12.045 1.00 15.29 C ATOM 63 H PHE A 6 -9.725 -41.731 -6.171 1.00 0.00 H ATOM 64 N PHE A 7 -6.375 -41.830 -6.461 1.00 11.46 N ATOM 65 CA PHE A 7 -4.930 -41.711 -6.306 1.00 11.62 C ATOM 66 C PHE A 7 -4.391 -42.654 -5.237 1.00 14.08 C ATOM 67 O PHE A 7 -3.266 -43.143 -5.367 1.00 13.95 O ATOM 68 CB PHE A 7 -4.563 -40.252 -6.046 1.00 13.21 C ATOM 69 CG PHE A 7 -4.776 -39.381 -7.251 1.00 9.84 C ATOM 70 CD1 PHE A 7 -4.051 -39.611 -8.413 1.00 13.45 C ATOM 71 CD2 PHE A 7 -5.728 -38.370 -7.243 1.00 10.67 C ATOM 72 CE1 PHE A 7 -4.258 -38.836 -9.542 1.00 12.24 C ATOM 73 CE2 PHE A 7 -5.933 -37.583 -8.364 1.00 11.49 C ATOM 74 CZ PHE A 7 -5.191 -37.824 -9.517 1.00 11.36 C ATOM 75 H PHE A 7 -7.012 -41.091 -6.100 1.00 0.00 H ATOM 76 N ASP A 8 -5.179 -42.968 -4.206 1.00 13.60 N ATOM 77 CA ASP A 8 -4.729 -43.978 -3.251 1.00 13.89 C ATOM 78 C ASP A 8 -4.592 -45.342 -3.919 1.00 15.98 C ATOM 79 O ASP A 8 -3.646 -46.086 -3.640 1.00 16.58 O ATOM 80 CB ASP A 8 -5.695 -44.076 -2.066 1.00 15.28 C ATOM 81 CG ASP A 8 -5.661 -42.849 -1.160 1.00 14.81 C ATOM 82 OD1 ASP A 8 -4.708 -42.052 -1.250 1.00 16.19 O ATOM 83 OD2 ASP A 8 -6.596 -42.685 -0.342 1.00 16.53 O ATOM 84 H ASP A 8 -6.100 -42.500 -4.084 1.00 0.00 H ATOM 85 N LYS A 9 -5.533 -45.691 -4.800 1.00 14.45 N ATOM 86 CA LYS A 9 -5.427 -46.953 -5.531 1.00 17.53 C ATOM 87 C LYS A 9 -4.189 -46.972 -6.417 1.00 17.61 C ATOM 88 O LYS A 9 -3.459 -47.974 -6.464 1.00 19.83 O ATOM 89 CB LYS A 9 -6.692 -47.172 -6.359 1.00 19.78 C ATOM 90 CG LYS A 9 -6.786 -48.514 -7.051 1.00 27.90 C ATOM 91 CD LYS A 9 -7.669 -48.401 -8.286 1.00 45.19 C ATOM 92 CE LYS A 9 -8.227 -49.748 -8.711 1.00 54.53 C ATOM 93 NZ LYS A 9 -9.144 -49.611 -9.881 1.00 57.79 N ATOM 94 HZ1 LYS A 9 -9.938 -48.989 -9.627 1.00 0.00 H ATOM 95 HZ2 LYS A 9 -8.623 -49.201 -10.682 1.00 0.00 H ATOM 96 HZ3 LYS A 9 -9.508 -50.548 -10.146 1.00 0.00 H ATOM 97 H LYS A 9 -6.345 -45.063 -4.967 1.00 0.00 H ATOM 98 N LYS A 10 -3.918 -45.865 -7.108 1.00 17.51 N ATOM 99 CA LYS A 10 -2.764 -45.819 -8.001 1.00 16.81 C ATOM 100 C LYS A 10 -1.462 -45.929 -7.226 1.00 19.05 C ATOM 101 O LYS A 10 -0.532 -46.620 -7.660 1.00 20.33 O ATOM 102 CB LYS A 10 -2.782 -44.530 -8.816 1.00 16.63 C ATOM 103 CG LYS A 10 -3.891 -44.486 -9.856 1.00 21.47 C ATOM 104 CD LYS A 10 -3.697 -45.560 -10.912 1.00 27.08 C ATOM 105 CE LYS A 10 -5.026 -46.125 -11.371 1.00 40.00 C ATOM 106 NZ LYS A 10 -4.864 -47.463 -11.991 1.00 48.06 N ATOM 107 HZ1 LYS A 10 -4.235 -47.388 -12.816 1.00 0.00 H ATOM 108 HZ2 LYS A 10 -4.450 -48.118 -11.297 1.00 0.00 H ATOM 109 HZ3 LYS A 10 -5.793 -47.819 -12.293 1.00 0.00 H ATOM 110 H LYS A 10 -4.531 -45.031 -7.011 1.00 0.00 H ATOM 111 N ARG A 11 -1.373 -45.252 -6.080 1.00 17.93 N ATOM 112 CA ARG A 11 -0.177 -45.381 -5.253 1.00 19.65 C ATOM 113 C ARG A 11 0.031 -46.825 -4.816 1.00 18.99 C ATOM 114 O ARG A 11 1.172 -47.306 -4.757 1.00 22.32 O ATOM 115 CB ARG A 11 -0.268 -44.450 -4.040 1.00 18.82 C ATOM 116 CG ARG A 11 1.052 -44.306 -3.274 1.00 19.40 C ATOM 117 CD ARG A 11 0.884 -43.446 -2.023 1.00 18.51 C ATOM 118 NE ARG A 11 0.572 -42.047 -2.328 1.00 20.89 N ATOM 119 CZ ARG A 11 1.483 -41.095 -2.536 1.00 24.61 C ATOM 120 NH1 ARG A 11 2.779 -41.380 -2.477 1.00 19.81 N ATOM 121 NH2 ARG A 11 1.100 -39.851 -2.804 1.00 20.85 N ATOM 122 HE ARG A 11 -0.431 -41.777 -2.386 1.00 0.00 H ATOM 123 HH12 ARG A 11 3.484 -40.633 -2.640 1.00 0.00 H ATOM 124 HH11 ARG A 11 3.089 -42.350 -2.268 1.00 0.00 H ATOM 125 HH22 ARG A 11 1.813 -39.111 -2.966 1.00 0.00 H ATOM 126 HH21 ARG A 11 0.088 -39.618 -2.852 1.00 0.00 H ATOM 127 H ARG A 11 -2.153 -44.634 -5.777 1.00 0.00 H ATOM 128 N SER A 12 -1.056 -47.549 -4.535 1.00 20.15 N ATOM 129 CA SER A 12 -0.946 -48.940 -4.102 1.00 22.85 C ATOM 130 C SER A 12 -0.605 -49.888 -5.247 1.00 25.23 C ATOM 131 O SER A 12 -0.193 -51.024 -4.989 1.00 25.97 O ATOM 132 CB SER A 12 -2.247 -49.389 -3.426 1.00 24.66 C ATOM 133 OG SER A 12 -3.266 -49.668 -4.373 1.00 21.06 O ATOM 134 HG SER A 12 -3.456 -48.853 -4.902 1.00 0.00 H ATOM 135 H SER A 12 -1.997 -47.115 -4.626 1.00 0.00 H ATOM 136 N GLU A 13 -0.780 -49.459 -6.500 1.00 25.31 N ATOM 137 CA GLU A 13 -0.349 -50.267 -7.640 1.00 26.30 C ATOM 138 C GLU A 13 1.138 -50.095 -7.923 1.00 30.83 C ATOM 139 O GLU A 13 1.794 -51.041 -8.374 1.00 30.93 O ATOM 140 CB GLU A 13 -1.167 -49.910 -8.886 1.00 30.64 C ATOM 141 CG GLU A 13 -2.646 -50.269 -8.783 1.00 36.61 C ATOM 142 CD GLU A 13 -3.471 -49.736 -9.948 1.00 44.99 C ATOM 143 OE1 GLU A 13 -2.898 -49.096 -10.856 1.00 45.13 O ATOM 144 OE2 GLU A 13 -4.699 -49.959 -9.950 1.00 49.30 O ATOM 145 H GLU A 13 -1.230 -48.536 -6.667 1.00 0.00 H ATOM 146 N ARG A 14 1.679 -48.906 -7.678 1.00 31.94 N ATOM 147 CA ARG A 14 3.117 -48.695 -7.718 1.00 30.70 C ATOM 148 C ARG A 14 3.788 -49.542 -6.637 1.00 34.41 C ATOM 149 O ARG A 14 3.165 -49.928 -5.646 1.00 37.21 O ATOM 150 CB ARG A 14 3.423 -47.209 -7.508 1.00 37.39 C ATOM 151 CG ARG A 14 4.864 -46.791 -7.716 1.00 43.34 C ATOM 152 CD ARG A 14 4.981 -45.272 -7.701 1.00 47.84 C ATOM 153 NE ARG A 14 4.291 -44.674 -8.838 1.00 50.18 N ATOM 154 CZ ARG A 14 4.896 -44.258 -9.946 1.00 54.96 C ATOM 155 NH1 ARG A 14 6.213 -44.368 -10.067 1.00 51.33 N ATOM 156 NH2 ARG A 14 4.185 -43.729 -10.934 1.00 58.87 N ATOM 157 HE ARG A 14 3.258 -44.566 -8.778 1.00 0.00 H ATOM 158 HH12 ARG A 14 6.685 -44.042 -10.935 1.00 0.00 H ATOM 159 HH11 ARG A 14 6.774 -44.780 -9.294 1.00 0.00 H ATOM 160 HH22 ARG A 14 4.660 -43.404 -11.800 1.00 0.00 H ATOM 161 HH21 ARG A 14 3.153 -43.639 -10.842 1.00 0.00 H ATOM 162 H ARG A 14 1.056 -48.104 -7.451 1.00 0.00 H ATOM 163 N ILE A 15 5.072 -49.856 -6.837 1.00 29.84 N ATOM 164 CA ILE A 15 5.788 -50.588 -5.798 1.00 31.69 C ATOM 165 C ILE A 15 5.868 -49.714 -4.552 1.00 29.73 C ATOM 166 O ILE A 15 6.034 -48.489 -4.633 1.00 28.03 O ATOM 167 CB ILE A 15 7.180 -51.045 -6.275 1.00 31.28 C ATOM 168 CG1 ILE A 15 8.015 -49.867 -6.783 1.00 28.32 C ATOM 169 CG2 ILE A 15 7.061 -52.142 -7.349 1.00 32.22 C ATOM 170 CD1 ILE A 15 9.439 -50.248 -7.152 1.00 31.53 C ATOM 171 H ILE A 15 5.552 -49.583 -7.718 1.00 0.00 H ATOM 172 N SER A 16 5.702 -50.340 -3.389 1.00 29.17 N ATOM 173 CA SER A 16 5.618 -49.602 -2.133 1.00 25.06 C ATOM 174 C SER A 16 6.980 -49.042 -1.737 1.00 24.89 C ATOM 175 O SER A 16 8.007 -49.707 -1.887 1.00 23.96 O ATOM 176 CB SER A 16 5.088 -50.523 -1.032 1.00 25.36 C ATOM 177 OG SER A 16 5.338 -49.983 0.255 1.00 25.54 O ATOM 178 HG SER A 16 4.890 -49.104 0.336 1.00 0.00 H ATOM 179 H SER A 16 5.631 -51.377 -3.375 1.00 0.00 H ATOM 180 N ASN A 17 6.992 -47.811 -1.218 1.00 21.85 N ATOM 181 CA ASN A 17 8.251 -47.234 -0.754 1.00 20.45 C ATOM 182 C ASN A 17 8.605 -47.669 0.666 1.00 31.66 C ATOM 183 O ASN A 17 9.605 -47.199 1.223 1.00 26.13 O ATOM 184 CB ASN A 17 8.221 -45.699 -0.859 1.00 24.20 C ATOM 185 CG ASN A 17 7.263 -45.033 0.132 1.00 26.03 C ATOM 186 OD1 ASN A 17 6.520 -45.688 0.864 1.00 29.79 O ATOM 187 ND2 ASN A 17 7.291 -43.705 0.153 1.00 21.06 N ATOM 188 HD22 ASN A 17 7.933 -43.188 -0.481 1.00 0.00 H ATOM 189 HD21 ASN A 17 6.671 -43.182 0.804 1.00 0.00 H ATOM 190 H ASN A 17 6.109 -47.266 -1.145 1.00 0.00 H ATOM 191 N GLY A 18 7.830 -48.583 1.242 1.00 26.90 N ATOM 192 CA GLY A 18 7.930 -48.929 2.643 1.00 23.73 C ATOM 193 C GLY A 18 6.804 -48.361 3.476 1.00 21.19 C ATOM 194 O GLY A 18 6.677 -48.730 4.649 1.00 25.67 O ATOM 195 H GLY A 18 7.120 -49.071 0.659 1.00 0.00 H ATOM 196 N GLY A 19 5.964 -47.502 2.898 1.00 20.04 N ATOM 197 CA GLY A 19 4.886 -46.889 3.641 1.00 23.02 C ATOM 198 C GLY A 19 5.250 -45.584 4.310 1.00 28.64 C ATOM 199 O GLY A 19 4.668 -45.252 5.351 1.00 31.78 O ATOM 200 H GLY A 19 6.087 -47.268 1.892 1.00 0.00 H ATOM 201 N PHE A 20 6.195 -44.828 3.748 1.00 20.42 N ATOM 202 CA PHE A 20 6.672 -43.591 4.347 1.00 14.12 C ATOM 203 C PHE A 20 6.302 -42.389 3.486 1.00 16.35 C ATOM 204 O PHE A 20 6.147 -42.496 2.267 1.00 21.27 O ATOM 205 CB PHE A 20 8.189 -43.655 4.561 1.00 16.17 C ATOM 206 CG PHE A 20 8.612 -44.842 5.367 1.00 14.39 C ATOM 207 CD1 PHE A 20 8.292 -44.924 6.712 1.00 15.69 C ATOM 208 CD2 PHE A 20 9.271 -45.907 4.773 1.00 14.59 C ATOM 209 CE1 PHE A 20 8.649 -46.037 7.457 1.00 14.84 C ATOM 210 CE2 PHE A 20 9.640 -47.023 5.515 1.00 16.24 C ATOM 211 CZ PHE A 20 9.325 -47.090 6.860 1.00 16.93 C ATOM 212 H PHE A 20 6.608 -45.136 2.844 1.00 0.00 H ATOM 213 N ARG A 21 6.146 -41.247 4.132 1.00 15.35 N ATOM 214 CA ARG A 21 5.813 -40.030 3.400 1.00 18.66 C ATOM 215 C ARG A 21 6.998 -39.602 2.539 1.00 15.71 C ATOM 216 O ARG A 21 8.115 -39.506 3.042 1.00 14.99 O ATOM 217 CB ARG A 21 5.442 -38.919 4.377 1.00 25.85 C ATOM 218 H ARG A 21 6.261 -41.216 5.165 1.00 0.00 H ATOM 219 N PRO A 22 6.803 -39.349 1.250 1.00 14.11 N ATOM 220 CA PRO A 22 7.893 -38.819 0.427 1.00 16.33 C ATOM 221 C PRO A 22 8.110 -37.337 0.673 1.00 15.02 C ATOM 222 O PRO A 22 7.163 -36.566 0.862 1.00 17.12 O ATOM 223 CB PRO A 22 7.409 -39.069 -1.009 1.00 23.69 C ATOM 224 CG PRO A 22 6.237 -39.997 -0.879 1.00 21.75 C ATOM 225 CD PRO A 22 5.619 -39.676 0.441 1.00 22.51 C ATOM 226 N ALA A 23 9.382 -36.945 0.669 1.00 14.07 N ATOM 227 CA ALA A 23 9.706 -35.524 0.690 1.00 13.80 C ATOM 228 C ALA A 23 9.492 -34.891 -0.674 1.00 15.64 C ATOM 229 O ALA A 23 9.100 -33.724 -0.762 1.00 15.77 O ATOM 230 CB ALA A 23 11.155 -35.310 1.136 1.00 15.15 C ATOM 231 H ALA A 23 10.144 -37.652 0.651 1.00 0.00 H ATOM 232 N ALA A 24 9.764 -35.631 -1.742 1.00 15.10 N ATOM 233 CA ALA A 24 9.626 -35.067 -3.082 1.00 13.89 C ATOM 234 C ALA A 24 8.156 -34.800 -3.400 1.00 15.91 C ATOM 235 O ALA A 24 7.299 -35.634 -3.108 1.00 16.14 O ATOM 236 CB ALA A 24 10.205 -36.023 -4.118 1.00 17.26 C ATOM 237 H ALA A 24 10.076 -36.616 -1.624 1.00 0.00 H ATOM 238 N PRO A 25 7.826 -33.660 -4.005 1.00 12.93 N ATOM 239 CA PRO A 25 6.453 -33.471 -4.499 1.00 13.17 C ATOM 240 C PRO A 25 6.069 -34.615 -5.422 1.00 12.49 C ATOM 241 O PRO A 25 6.825 -34.996 -6.320 1.00 15.79 O ATOM 242 CB PRO A 25 6.521 -32.138 -5.251 1.00 11.87 C ATOM 243 CG PRO A 25 7.671 -31.404 -4.614 1.00 12.24 C ATOM 244 CD PRO A 25 8.672 -32.486 -4.267 1.00 12.45 C ATOM 245 N ASN A 26 4.884 -35.173 -5.198 1.00 11.93 N ATOM 246 CA ASN A 26 4.492 -36.350 -5.953 1.00 14.18 C ATOM 247 C ASN A 26 2.979 -36.455 -5.962 1.00 14.18 C ATOM 248 O ASN A 26 2.302 -35.981 -5.047 1.00 14.23 O ATOM 249 CB ASN A 26 5.093 -37.626 -5.357 1.00 15.67 C ATOM 250 CG ASN A 26 4.479 -37.983 -4.019 1.00 14.64 C ATOM 251 OD1 ASN A 26 3.586 -38.825 -3.942 1.00 17.92 O ATOM 252 ND2 ASN A 26 4.936 -37.326 -2.960 1.00 14.95 N ATOM 253 HD22 ASN A 26 5.693 -36.622 -3.072 1.00 0.00 H ATOM 254 HD21 ASN A 26 4.537 -37.515 -2.018 1.00 0.00 H ATOM 255 H ASN A 26 4.242 -34.769 -4.487 1.00 0.00 H ATOM 256 N LEU A 27 2.462 -37.081 -7.014 1.00 13.61 N ATOM 257 CA LEU A 27 1.045 -37.400 -7.135 1.00 11.38 C ATOM 258 C LEU A 27 0.931 -38.916 -7.165 1.00 14.58 C ATOM 259 O LEU A 27 1.376 -39.552 -8.124 1.00 15.47 O ATOM 260 CB LEU A 27 0.448 -36.770 -8.389 1.00 12.04 C ATOM 261 CG LEU A 27 -1.063 -36.960 -8.547 1.00 11.61 C ATOM 262 CD1 LEU A 27 -1.829 -36.295 -7.413 1.00 12.35 C ATOM 263 CD2 LEU A 27 -1.503 -36.402 -9.890 1.00 14.44 C ATOM 264 H LEU A 27 3.099 -37.357 -7.788 1.00 0.00 H ATOM 265 N ALA A 28 0.365 -39.491 -6.105 1.00 14.71 N ATOM 266 CA ALA A 28 0.240 -40.945 -5.985 1.00 16.65 C ATOM 267 C ALA A 28 1.585 -41.632 -6.179 1.00 18.84 C ATOM 268 O ALA A 28 1.659 -42.733 -6.720 1.00 19.09 O ATOM 269 CB ALA A 28 -0.796 -41.499 -6.970 1.00 16.64 C ATOM 270 H ALA A 28 0.001 -38.889 -5.339 1.00 0.00 H ATOM 271 N GLY A 29 2.656 -40.972 -5.740 1.00 18.38 N ATOM 272 CA GLY A 29 3.998 -41.505 -5.853 1.00 20.44 C ATOM 273 C GLY A 29 4.720 -41.165 -7.137 1.00 23.47 C ATOM 274 O GLY A 29 5.941 -41.343 -7.208 1.00 25.04 O ATOM 275 H GLY A 29 2.523 -40.039 -5.300 1.00 0.00 H ATOM 276 N ALA A 30 4.009 -40.689 -8.155 1.00 19.13 N ATOM 277 CA ALA A 30 4.643 -40.287 -9.402 1.00 24.39 C ATOM 278 C ALA A 30 5.316 -38.929 -9.245 1.00 20.43 C ATOM 279 O ALA A 30 4.762 -38.007 -8.638 1.00 16.26 O ATOM 280 CB ALA A 30 3.617 -40.242 -10.534 1.00 25.53 C ATOM 281 H ALA A 30 2.977 -40.602 -8.058 1.00 0.00 H ATOM 282 N VAL A 31 6.533 -38.816 -9.790 1.00 22.23 N ATOM 283 CA VAL A 31 7.343 -37.613 -9.679 1.00 24.91 C ATOM 284 C VAL A 31 7.649 -37.004 -11.043 1.00 20.88 C ATOM 285 O VAL A 31 7.529 -35.789 -11.223 1.00 20.85 O ATOM 286 CB VAL A 31 8.648 -37.897 -8.906 1.00 25.87 C ATOM 287 CG1 VAL A 31 9.524 -36.644 -8.841 1.00 28.68 C ATOM 288 CG2 VAL A 31 8.336 -38.386 -7.504 1.00 22.47 C ATOM 289 H VAL A 31 6.917 -39.626 -10.317 1.00 0.00 H ATOM 290 N GLU A 32 8.018 -37.826 -12.021 1.00 27.31 N ATOM 291 CA GLU A 32 8.286 -37.313 -13.358 1.00 29.71 C ATOM 292 C GLU A 32 6.998 -36.808 -13.995 1.00 28.27 C ATOM 293 O GLU A 32 5.955 -37.463 -13.921 1.00 25.44 O ATOM 294 CB GLU A 32 8.917 -38.401 -14.229 1.00 34.43 C ATOM 295 H GLU A 32 8.116 -38.844 -11.830 1.00 0.00 H ATOM 296 N PHE A 33 7.074 -35.633 -14.633 1.00 27.12 N ATOM 297 CA PHE A 33 5.871 -35.044 -15.210 1.00 22.98 C ATOM 298 C PHE A 33 5.183 -36.001 -16.175 1.00 23.84 C ATOM 299 O PHE A 33 3.951 -36.016 -16.252 1.00 25.34 O ATOM 300 CB PHE A 33 6.182 -33.719 -15.915 1.00 24.62 C ATOM 301 CG PHE A 33 4.982 -33.106 -16.570 1.00 25.34 C ATOM 302 CD1 PHE A 33 3.919 -32.654 -15.803 1.00 25.31 C ATOM 303 CD2 PHE A 33 4.896 -33.015 -17.951 1.00 25.63 C ATOM 304 CE1 PHE A 33 2.796 -32.106 -16.396 1.00 22.67 C ATOM 305 CE2 PHE A 33 3.776 -32.466 -18.554 1.00 29.71 C ATOM 306 CZ PHE A 33 2.727 -32.009 -17.778 1.00 28.97 C ATOM 307 H PHE A 33 7.987 -35.142 -14.717 1.00 0.00 H ATOM 308 N SER A 34 5.954 -36.812 -16.903 1.00 23.19 N ATOM 309 CA SER A 34 5.343 -37.777 -17.810 1.00 22.52 C ATOM 310 C SER A 34 4.465 -38.762 -17.047 1.00 25.09 C ATOM 311 O SER A 34 3.374 -39.119 -17.509 1.00 29.18 O ATOM 312 CB SER A 34 6.422 -38.518 -18.601 1.00 26.46 C ATOM 313 OG SER A 34 7.309 -39.205 -17.736 1.00 24.96 O ATOM 314 HG SER A 34 7.749 -38.555 -17.132 1.00 0.00 H ATOM 315 H SER A 34 6.989 -36.756 -16.823 1.00 0.00 H ATOM 316 N ASP A 35 4.919 -39.203 -15.870 1.00 21.98 N ATOM 317 CA ASP A 35 4.118 -40.109 -15.052 1.00 22.69 C ATOM 318 C ASP A 35 2.922 -39.393 -14.433 1.00 22.91 C ATOM 319 O ASP A 35 1.832 -39.968 -14.329 1.00 22.18 O ATOM 320 CB ASP A 35 4.979 -40.732 -13.953 1.00 23.83 C ATOM 321 CG ASP A 35 5.995 -41.720 -14.490 1.00 36.55 C ATOM 322 OD1 ASP A 35 5.761 -42.287 -15.576 1.00 35.31 O ATOM 323 OD2 ASP A 35 7.026 -41.924 -13.820 1.00 39.68 O ATOM 324 H ASP A 35 5.854 -38.897 -15.533 1.00 0.00 H ATOM 325 N VAL A 36 3.115 -38.146 -13.995 1.00 22.27 N ATOM 326 CA VAL A 36 2.011 -37.371 -13.434 1.00 20.42 C ATOM 327 C VAL A 36 0.948 -37.129 -14.493 1.00 18.83 C ATOM 328 O VAL A 36 -0.258 -37.245 -14.233 1.00 17.03 O ATOM 329 CB VAL A 36 2.542 -36.047 -12.853 1.00 18.67 C ATOM 330 CG1 VAL A 36 1.388 -35.075 -12.540 1.00 17.75 C ATOM 331 CG2 VAL A 36 3.400 -36.301 -11.634 1.00 19.77 C ATOM 332 H VAL A 36 4.063 -37.722 -14.054 1.00 0.00 H ATOM 333 N LYS A 37 1.380 -36.786 -15.704 1.00 19.94 N ATOM 334 CA LYS A 37 0.455 -36.541 -16.801 1.00 15.30 C ATOM 335 C LYS A 37 -0.390 -37.771 -17.097 1.00 19.71 C ATOM 336 O LYS A 37 -1.603 -37.664 -17.301 1.00 20.75 O ATOM 337 CB LYS A 37 1.260 -36.105 -18.030 1.00 23.27 C ATOM 338 CG LYS A 37 0.468 -35.644 -19.227 1.00 30.55 C ATOM 339 CD LYS A 37 1.408 -35.038 -20.268 1.00 35.20 C ATOM 340 CE LYS A 37 0.794 -35.047 -21.661 1.00 44.38 C ATOM 341 NZ LYS A 37 1.784 -34.666 -22.712 1.00 47.26 N ATOM 342 HZ1 LYS A 37 2.140 -33.708 -22.520 1.00 0.00 H ATOM 343 HZ2 LYS A 37 2.576 -35.340 -22.701 1.00 0.00 H ATOM 344 HZ3 LYS A 37 1.323 -34.685 -23.644 1.00 0.00 H ATOM 345 H LYS A 37 2.402 -36.691 -15.871 1.00 0.00 H ATOM 346 N THR A 38 0.235 -38.953 -17.115 1.00 18.67 N ATOM 347 CA THR A 38 -0.506 -40.186 -17.367 1.00 24.89 C ATOM 348 C THR A 38 -1.581 -40.414 -16.309 1.00 19.25 C ATOM 349 O THR A 38 -2.713 -40.792 -16.636 1.00 19.92 O ATOM 350 CB THR A 38 0.458 -41.372 -17.413 1.00 22.87 C ATOM 351 OG1 THR A 38 1.374 -41.202 -18.501 1.00 29.72 O ATOM 352 CG2 THR A 38 -0.303 -42.684 -17.596 1.00 27.91 C ATOM 353 HG1 THR A 38 1.997 -41.971 -18.529 1.00 0.00 H ATOM 354 H THR A 38 1.261 -38.995 -16.948 1.00 0.00 H ATOM 355 N LEU A 39 -1.235 -40.199 -15.034 1.00 18.99 N ATOM 356 CA LEU A 39 -2.202 -40.375 -13.954 1.00 17.21 C ATOM 357 C LEU A 39 -3.347 -39.386 -14.072 1.00 12.04 C ATOM 358 O LEU A 39 -4.512 -39.751 -13.879 1.00 15.82 O ATOM 359 CB LEU A 39 -1.520 -40.205 -12.595 1.00 18.53 C ATOM 360 CG LEU A 39 -0.630 -41.322 -12.066 1.00 23.57 C ATOM 361 CD1 LEU A 39 0.020 -40.865 -10.770 1.00 32.09 C ATOM 362 CD2 LEU A 39 -1.438 -42.574 -11.834 1.00 29.18 C ATOM 363 H LEU A 39 -0.264 -39.902 -14.809 1.00 0.00 H ATOM 364 N LEU A 40 -3.036 -38.116 -14.353 1.00 13.51 N ATOM 365 CA LEU A 40 -4.087 -37.113 -14.456 1.00 14.15 C ATOM 366 C LEU A 40 -5.048 -37.438 -15.594 1.00 12.82 C ATOM 367 O LEU A 40 -6.269 -37.325 -15.439 1.00 15.26 O ATOM 368 CB LEU A 40 -3.470 -35.724 -14.647 1.00 13.39 C ATOM 369 CG LEU A 40 -2.812 -35.130 -13.397 1.00 10.39 C ATOM 370 CD1 LEU A 40 -2.030 -33.867 -13.746 1.00 12.25 C ATOM 371 CD2 LEU A 40 -3.866 -34.822 -12.345 1.00 12.05 C ATOM 372 H LEU A 40 -2.043 -37.844 -14.498 1.00 0.00 H ATOM 373 N LYS A 41 -4.517 -37.856 -16.747 1.00 14.31 N ATOM 374 CA LYS A 41 -5.389 -38.190 -17.867 1.00 17.00 C ATOM 375 C LYS A 41 -6.255 -39.403 -17.549 1.00 17.96 C ATOM 376 O LYS A 41 -7.437 -39.434 -17.907 1.00 18.23 O ATOM 377 CB LYS A 41 -4.560 -38.440 -19.127 1.00 21.97 C ATOM 378 CG LYS A 41 -5.407 -38.698 -20.363 1.00 29.54 C ATOM 379 CD LYS A 41 -4.545 -38.975 -21.579 1.00 39.21 C ATOM 380 CE LYS A 41 -5.405 -39.224 -22.808 1.00 46.89 C ATOM 381 NZ LYS A 41 -6.420 -38.149 -22.995 1.00 49.86 N ATOM 382 HZ1 LYS A 41 -7.041 -38.111 -22.162 1.00 0.00 H ATOM 383 HZ2 LYS A 41 -5.938 -37.235 -23.111 1.00 0.00 H ATOM 384 HZ3 LYS A 41 -6.987 -38.353 -23.842 1.00 0.00 H ATOM 385 H LYS A 41 -3.485 -37.943 -16.845 1.00 0.00 H ATOM 386 N GLU A 42 -5.684 -40.417 -16.886 1.00 16.57 N ATOM 387 CA GLU A 42 -6.486 -41.575 -16.500 1.00 18.50 C ATOM 388 C GLU A 42 -7.573 -41.174 -15.513 1.00 18.58 C ATOM 389 O GLU A 42 -8.715 -41.628 -15.618 1.00 18.11 O ATOM 390 CB GLU A 42 -5.597 -42.681 -15.916 1.00 17.47 C ATOM 391 CG GLU A 42 -6.383 -43.915 -15.456 1.00 21.66 C ATOM 392 CD GLU A 42 -5.505 -45.000 -14.841 1.00 23.48 C ATOM 393 OE1 GLU A 42 -6.046 -46.069 -14.489 1.00 32.45 O ATOM 394 OE2 GLU A 42 -4.282 -44.790 -14.709 1.00 36.48 O ATOM 395 H GLU A 42 -4.673 -40.380 -16.647 1.00 0.00 H ATOM 396 N TRP A 43 -7.241 -40.308 -14.557 1.00 15.55 N ATOM 397 CA TRP A 43 -8.230 -39.838 -13.595 1.00 15.06 C ATOM 398 C TRP A 43 -9.388 -39.148 -14.294 1.00 13.11 C ATOM 399 O TRP A 43 -10.549 -39.523 -14.117 1.00 16.93 O ATOM 400 CB TRP A 43 -7.559 -38.895 -12.605 1.00 12.30 C ATOM 401 CG TRP A 43 -8.425 -38.402 -11.492 1.00 10.50 C ATOM 402 CD1 TRP A 43 -9.357 -39.114 -10.780 1.00 12.42 C ATOM 403 CD2 TRP A 43 -8.389 -37.093 -10.920 1.00 10.27 C ATOM 404 NE1 TRP A 43 -9.915 -38.305 -9.812 1.00 12.16 N ATOM 405 CE2 TRP A 43 -9.336 -37.065 -9.879 1.00 9.42 C ATOM 406 CE3 TRP A 43 -7.660 -35.931 -11.204 1.00 10.72 C ATOM 407 CZ2 TRP A 43 -9.558 -35.922 -9.117 1.00 9.53 C ATOM 408 CZ3 TRP A 43 -7.892 -34.798 -10.454 1.00 10.42 C ATOM 409 CH2 TRP A 43 -8.831 -34.806 -9.418 1.00 9.38 C ATOM 410 HE1 TRP A 43 -10.656 -38.590 -9.140 1.00 0.00 H ATOM 411 H TRP A 43 -6.262 -39.962 -14.496 1.00 0.00 H ATOM 412 N ILE A 44 -9.083 -38.133 -15.106 1.00 16.33 N ATOM 413 CA ILE A 44 -10.133 -37.318 -15.696 1.00 16.14 C ATOM 414 C ILE A 44 -10.942 -38.107 -16.715 1.00 23.02 C ATOM 415 O ILE A 44 -12.150 -37.881 -16.862 1.00 27.62 O ATOM 416 CB ILE A 44 -9.516 -36.049 -16.306 1.00 17.36 C ATOM 417 CG1 ILE A 44 -8.859 -35.210 -15.209 1.00 15.69 C ATOM 418 CG2 ILE A 44 -10.569 -35.248 -17.050 1.00 25.22 C ATOM 419 CD1 ILE A 44 -7.770 -34.247 -15.710 1.00 16.78 C ATOM 420 H ILE A 44 -8.087 -37.924 -15.318 1.00 0.00 H ATOM 421 N THR A 45 -10.317 -39.055 -17.419 1.00 20.91 N ATOM 422 CA THR A 45 -11.051 -39.781 -18.452 1.00 24.58 C ATOM 423 C THR A 45 -11.822 -40.986 -17.920 1.00 26.27 C ATOM 424 O THR A 45 -12.818 -41.385 -18.538 1.00 33.46 O ATOM 425 CB THR A 45 -10.109 -40.222 -19.583 1.00 29.29 C ATOM 426 OG1 THR A 45 -9.099 -41.101 -19.078 1.00 36.62 O ATOM 427 CG2 THR A 45 -9.456 -39.017 -20.230 1.00 27.82 C ATOM 428 HG1 THR A 45 -8.572 -40.632 -18.384 1.00 0.00 H ATOM 429 H THR A 45 -9.317 -39.274 -17.233 1.00 0.00 H ATOM 430 N THR A 46 -11.416 -41.581 -16.793 1.00 20.15 N ATOM 431 CA THR A 46 -12.110 -42.765 -16.292 1.00 18.18 C ATOM 432 C THR A 46 -13.055 -42.496 -15.130 1.00 16.19 C ATOM 433 O THR A 46 -13.902 -43.347 -14.843 1.00 18.66 O ATOM 434 CB THR A 46 -11.116 -43.856 -15.861 1.00 22.13 C ATOM 435 OG1 THR A 46 -10.376 -43.439 -14.702 1.00 20.20 O ATOM 436 CG2 THR A 46 -10.156 -44.183 -16.999 1.00 26.47 C ATOM 437 HG1 THR A 46 -9.874 -42.612 -14.913 1.00 0.00 H ATOM 438 H THR A 46 -10.602 -41.199 -16.271 1.00 0.00 H ATOM 439 N ILE A 47 -12.928 -41.363 -14.445 1.00 14.45 N ATOM 440 CA ILE A 47 -13.760 -41.041 -13.293 1.00 13.97 C ATOM 441 C ILE A 47 -14.670 -39.891 -13.701 1.00 17.15 C ATOM 442 O ILE A 47 -14.188 -38.803 -14.030 1.00 22.93 O ATOM 443 CB ILE A 47 -12.902 -40.657 -12.076 1.00 16.33 C ATOM 444 CG1 ILE A 47 -11.962 -41.796 -11.667 1.00 17.63 C ATOM 445 CG2 ILE A 47 -13.771 -40.190 -10.915 1.00 17.96 C ATOM 446 CD1 ILE A 47 -12.660 -43.112 -11.380 1.00 16.38 C ATOM 447 H ILE A 47 -12.205 -40.678 -14.744 1.00 0.00 H ATOM 448 N SER A 48 -15.981 -40.119 -13.691 1.00 20.79 N ATOM 449 CA SER A 48 -16.891 -39.059 -14.098 1.00 19.52 C ATOM 450 C SER A 48 -17.312 -38.169 -12.940 1.00 18.34 C ATOM 451 O SER A 48 -17.823 -37.071 -13.179 1.00 25.79 O ATOM 452 CB SER A 48 -18.132 -39.653 -14.770 1.00 23.21 C ATOM 453 OG SER A 48 -18.886 -40.382 -13.829 1.00 26.13 O ATOM 454 HG SER A 48 -18.332 -41.115 -13.460 1.00 0.00 H ATOM 455 H SER A 48 -16.351 -41.045 -13.395 1.00 0.00 H ATOM 456 N ASP A 49 -17.077 -38.604 -11.700 1.00 18.82 N ATOM 457 CA ASP A 49 -17.466 -37.862 -10.503 1.00 18.05 C ATOM 458 C ASP A 49 -16.309 -37.882 -9.514 1.00 18.31 C ATOM 459 O ASP A 49 -16.240 -38.741 -8.624 1.00 17.99 O ATOM 460 CB ASP A 49 -18.731 -38.447 -9.877 1.00 22.02 C ATOM 461 CG ASP A 49 -19.262 -37.591 -8.747 1.00 32.50 C ATOM 462 OD1 ASP A 49 -19.211 -36.350 -8.883 1.00 29.90 O ATOM 463 OD2 ASP A 49 -19.716 -38.153 -7.729 1.00 38.28 O ATOM 464 H ASP A 49 -16.593 -39.517 -11.580 1.00 0.00 H ATOM 465 N PRO A 50 -15.394 -36.926 -9.619 1.00 13.58 N ATOM 466 CA PRO A 50 -14.159 -36.987 -8.818 1.00 13.51 C ATOM 467 C PRO A 50 -14.396 -36.830 -7.316 1.00 13.72 C ATOM 468 O PRO A 50 -15.179 -35.986 -6.871 1.00 14.02 O ATOM 469 CB PRO A 50 -13.326 -35.824 -9.370 1.00 12.67 C ATOM 470 CG PRO A 50 -14.364 -34.884 -10.011 1.00 14.01 C ATOM 471 CD PRO A 50 -15.399 -35.802 -10.573 1.00 15.91 C ATOM 472 N MET A 51 -13.654 -37.624 -6.532 1.00 10.91 N ATOM 473 CA MET A 51 -13.744 -37.604 -5.078 1.00 10.50 C ATOM 474 C MET A 51 -13.032 -36.402 -4.476 1.00 11.75 C ATOM 475 O MET A 51 -11.941 -36.017 -4.916 1.00 10.86 O ATOM 476 CB MET A 51 -13.142 -38.884 -4.491 1.00 15.33 C ATOM 477 CG MET A 51 -13.788 -40.177 -4.957 1.00 18.04 C ATOM 478 SD MET A 51 -15.415 -40.456 -4.229 1.00 20.56 S ATOM 479 CE MET A 51 -16.449 -40.078 -5.634 1.00 29.07 C ATOM 480 H MET A 51 -12.986 -38.282 -6.980 1.00 0.00 H ATOM 481 N GLU A 52 -13.633 -35.850 -3.417 1.00 11.11 N ATOM 482 CA GLU A 52 -13.039 -34.724 -2.704 1.00 11.84 C ATOM 483 C GLU A 52 -11.579 -34.989 -2.359 1.00 10.88 C ATOM 484 O GLU A 52 -10.705 -34.139 -2.577 1.00 10.41 O ATOM 485 CB GLU A 52 -13.835 -34.450 -1.430 1.00 14.47 C ATOM 486 CG GLU A 52 -13.325 -33.247 -0.659 1.00 17.88 C ATOM 487 CD GLU A 52 -13.621 -33.327 0.821 1.00 37.49 C ATOM 488 OE1 GLU A 52 -14.524 -34.094 1.209 1.00 39.83 O ATOM 489 OE2 GLU A 52 -12.958 -32.607 1.598 1.00 42.37 O ATOM 490 H GLU A 52 -14.545 -36.232 -3.094 1.00 0.00 H ATOM 491 N GLU A 53 -11.288 -36.179 -1.830 1.00 10.27 N ATOM 492 CA GLU A 53 -9.942 -36.450 -1.340 1.00 9.73 C ATOM 493 C GLU A 53 -8.932 -36.505 -2.470 1.00 10.32 C ATOM 494 O GLU A 53 -7.756 -36.187 -2.270 1.00 11.16 O ATOM 495 CB GLU A 53 -9.930 -37.764 -0.563 1.00 12.90 C ATOM 496 CG GLU A 53 -10.675 -37.729 0.765 1.00 14.29 C ATOM 497 CD GLU A 53 -12.141 -38.107 0.632 1.00 14.24 C ATOM 498 OE1 GLU A 53 -12.715 -37.995 -0.472 1.00 13.56 O ATOM 499 OE2 GLU A 53 -12.726 -38.523 1.663 1.00 16.48 O ATOM 500 H GLU A 53 -12.022 -36.913 -1.767 1.00 0.00 H ATOM 501 N ASP A 54 -9.375 -36.888 -3.663 1.00 8.55 N ATOM 502 CA ASP A 54 -8.485 -36.898 -4.810 1.00 8.17 C ATOM 503 C ASP A 54 -8.210 -35.486 -5.294 1.00 8.72 C ATOM 504 O ASP A 54 -7.068 -35.156 -5.634 1.00 8.87 O ATOM 505 CB ASP A 54 -9.091 -37.751 -5.925 1.00 9.31 C ATOM 506 CG ASP A 54 -9.050 -39.222 -5.602 1.00 10.11 C ATOM 507 OD1 ASP A 54 -8.006 -39.672 -5.072 1.00 10.22 O ATOM 508 OD2 ASP A 54 -10.056 -39.922 -5.864 1.00 10.65 O ATOM 509 H ASP A 54 -10.366 -37.183 -3.776 1.00 0.00 H ATOM 510 N ILE A 55 -9.237 -34.638 -5.313 1.00 9.25 N ATOM 511 CA ILE A 55 -9.042 -33.231 -5.646 1.00 9.40 C ATOM 512 C ILE A 55 -8.082 -32.580 -4.656 1.00 9.19 C ATOM 513 O ILE A 55 -7.175 -31.820 -5.047 1.00 8.45 O ATOM 514 CB ILE A 55 -10.402 -32.514 -5.692 1.00 8.50 C ATOM 515 CG1 ILE A 55 -11.190 -32.993 -6.915 1.00 10.63 C ATOM 516 CG2 ILE A 55 -10.218 -30.975 -5.723 1.00 10.67 C ATOM 517 CD1 ILE A 55 -12.679 -32.735 -6.814 1.00 12.28 C ATOM 518 H ILE A 55 -10.191 -34.984 -5.087 1.00 0.00 H ATOM 519 N LEU A 56 -8.224 -32.907 -3.366 1.00 10.58 N ATOM 520 CA LEU A 56 -7.307 -32.353 -2.374 1.00 9.78 C ATOM 521 C LEU A 56 -5.893 -32.897 -2.534 1.00 9.53 C ATOM 522 O LEU A 56 -4.927 -32.179 -2.257 1.00 10.43 O ATOM 523 CB LEU A 56 -7.820 -32.625 -0.963 1.00 10.14 C ATOM 524 CG LEU A 56 -9.102 -31.874 -0.608 1.00 16.41 C ATOM 525 CD1 LEU A 56 -9.523 -32.204 0.811 1.00 15.08 C ATOM 526 CD2 LEU A 56 -8.940 -30.377 -0.755 1.00 19.92 C ATOM 527 H LEU A 56 -8.984 -33.553 -3.071 1.00 0.00 H ATOM 528 N GLN A 57 -5.735 -34.156 -2.963 1.00 9.26 N ATOM 529 CA GLN A 57 -4.389 -34.666 -3.227 1.00 9.46 C ATOM 530 C GLN A 57 -3.721 -33.911 -4.372 1.00 8.49 C ATOM 531 O GLN A 57 -2.501 -33.687 -4.346 1.00 10.14 O ATOM 532 CB GLN A 57 -4.436 -36.171 -3.532 1.00 9.96 C ATOM 533 CG GLN A 57 -4.591 -37.058 -2.299 1.00 11.40 C ATOM 534 CD GLN A 57 -4.451 -38.531 -2.630 1.00 11.95 C ATOM 535 OE1 GLN A 57 -3.458 -38.959 -3.212 1.00 14.92 O ATOM 536 NE2 GLN A 57 -5.452 -39.318 -2.255 1.00 17.28 N ATOM 537 HE22 GLN A 57 -6.275 -38.914 -1.764 1.00 0.00 H ATOM 538 HE21 GLN A 57 -5.413 -40.338 -2.452 1.00 0.00 H ATOM 539 H GLN A 57 -6.564 -34.767 -3.108 1.00 0.00 H ATOM 540 N VAL A 58 -4.496 -33.494 -5.371 1.00 8.79 N ATOM 541 CA VAL A 58 -3.941 -32.709 -6.466 1.00 9.27 C ATOM 542 C VAL A 58 -3.542 -31.327 -5.972 1.00 10.89 C ATOM 543 O VAL A 58 -2.453 -30.831 -6.292 1.00 9.52 O ATOM 544 CB VAL A 58 -4.950 -32.631 -7.623 1.00 8.88 C ATOM 545 CG1 VAL A 58 -4.530 -31.556 -8.619 1.00 11.28 C ATOM 546 CG2 VAL A 58 -5.062 -33.995 -8.294 1.00 12.64 C ATOM 547 H VAL A 58 -5.509 -33.731 -5.370 1.00 0.00 H ATOM 548 N VAL A 59 -4.415 -30.681 -5.185 1.00 8.61 N ATOM 549 CA VAL A 59 -4.065 -29.395 -4.578 1.00 9.14 C ATOM 550 C VAL A 59 -2.792 -29.520 -3.747 1.00 10.61 C ATOM 551 O VAL A 59 -1.897 -28.671 -3.833 1.00 9.65 O ATOM 552 CB VAL A 59 -5.231 -28.843 -3.732 1.00 8.96 C ATOM 553 CG1 VAL A 59 -4.775 -27.585 -2.969 1.00 11.12 C ATOM 554 CG2 VAL A 59 -6.441 -28.524 -4.615 1.00 10.00 C ATOM 555 H VAL A 59 -5.350 -31.098 -5.004 1.00 0.00 H ATOM 556 N ARG A 60 -2.686 -30.574 -2.935 1.00 11.25 N ATOM 557 CA ARG A 60 -1.509 -30.729 -2.085 1.00 11.65 C ATOM 558 C ARG A 60 -0.256 -30.971 -2.916 1.00 10.93 C ATOM 559 O ARG A 60 0.819 -30.466 -2.579 1.00 11.40 O ATOM 560 CB ARG A 60 -1.737 -31.862 -1.082 1.00 13.08 C ATOM 561 CG ARG A 60 -0.509 -32.187 -0.236 1.00 20.88 C ATOM 562 CD ARG A 60 -0.390 -31.247 0.954 1.00 28.02 C ATOM 563 H ARG A 60 -3.443 -31.286 -2.908 1.00 0.00 H ATOM 564 N TYR A 61 -0.367 -31.730 -4.005 1.00 10.69 N ATOM 565 CA TYR A 61 0.772 -31.891 -4.906 1.00 10.82 C ATOM 566 C TYR A 61 1.218 -30.542 -5.460 1.00 8.68 C ATOM 567 O TYR A 61 2.413 -30.216 -5.451 1.00 10.18 O ATOM 568 CB TYR A 61 0.409 -32.869 -6.028 1.00 11.26 C ATOM 569 CG TYR A 61 1.412 -32.922 -7.155 1.00 9.78 C ATOM 570 CD1 TYR A 61 2.741 -33.270 -6.917 1.00 11.38 C ATOM 571 CD2 TYR A 61 1.036 -32.617 -8.454 1.00 11.89 C ATOM 572 CE1 TYR A 61 3.663 -33.315 -7.954 1.00 11.47 C ATOM 573 CE2 TYR A 61 1.944 -32.664 -9.494 1.00 13.58 C ATOM 574 CZ TYR A 61 3.258 -33.017 -9.238 1.00 12.20 C ATOM 575 OH TYR A 61 4.190 -33.055 -10.258 1.00 15.76 O ATOM 576 HH TYR A 61 5.069 -33.326 -9.891 1.00 0.00 H ATOM 577 H TYR A 61 -1.266 -32.209 -4.214 1.00 0.00 H ATOM 578 N CYS A 62 0.263 -29.724 -5.898 1.00 9.40 N ATOM 579 CA CYS A 62 0.595 -28.407 -6.433 1.00 8.41 C ATOM 580 C CYS A 62 1.209 -27.516 -5.366 1.00 8.70 C ATOM 581 O CYS A 62 2.168 -26.778 -5.640 1.00 9.53 O ATOM 582 CB CYS A 62 -0.657 -27.758 -7.012 1.00 7.12 C ATOM 583 SG CYS A 62 -1.228 -28.503 -8.553 1.00 9.84 S ATOM 584 H CYS A 62 -0.731 -30.027 -5.858 1.00 0.00 H ATOM 585 N THR A 63 0.691 -27.573 -4.135 1.00 9.21 N ATOM 586 CA THR A 63 1.276 -26.732 -3.099 1.00 11.38 C ATOM 587 C THR A 63 2.654 -27.240 -2.696 1.00 11.08 C ATOM 588 O THR A 63 3.533 -26.433 -2.354 1.00 12.07 O ATOM 589 CB THR A 63 0.338 -26.621 -1.901 1.00 19.21 C ATOM 590 OG1 THR A 63 0.100 -27.908 -1.355 1.00 21.88 O ATOM 591 CG2 THR A 63 -0.973 -26.030 -2.326 1.00 19.77 C ATOM 592 HG1 THR A 63 0.959 -28.305 -1.063 1.00 0.00 H ATOM 593 H THR A 63 -0.109 -28.202 -3.922 1.00 0.00 H ATOM 594 N ASP A 64 2.882 -28.556 -2.783 1.00 10.02 N ATOM 595 CA ASP A 64 4.225 -29.083 -2.575 1.00 10.68 C ATOM 596 C ASP A 64 5.185 -28.592 -3.661 1.00 10.20 C ATOM 597 O ASP A 64 6.349 -28.289 -3.368 1.00 11.38 O ATOM 598 CB ASP A 64 4.179 -30.614 -2.513 1.00 11.00 C ATOM 599 CG ASP A 64 3.594 -31.143 -1.195 1.00 14.38 C ATOM 600 OD1 ASP A 64 3.491 -30.381 -0.206 1.00 18.99 O ATOM 601 OD2 ASP A 64 3.236 -32.336 -1.146 1.00 18.82 O ATOM 602 H ASP A 64 2.098 -29.205 -3.000 1.00 0.00 H ATOM 603 N LEU A 65 4.719 -28.493 -4.917 1.00 9.51 N ATOM 604 CA LEU A 65 5.569 -27.934 -5.968 1.00 9.43 C ATOM 605 C LEU A 65 5.944 -26.496 -5.647 1.00 8.98 C ATOM 606 O LEU A 65 7.101 -26.095 -5.820 1.00 10.65 O ATOM 607 CB LEU A 65 4.872 -28.012 -7.333 1.00 9.22 C ATOM 608 CG LEU A 65 4.658 -29.410 -7.936 1.00 8.66 C ATOM 609 CD1 LEU A 65 3.790 -29.322 -9.177 1.00 8.96 C ATOM 610 CD2 LEU A 65 6.013 -30.074 -8.254 1.00 11.53 C ATOM 611 H LEU A 65 3.755 -28.813 -5.142 1.00 0.00 H ATOM 612 N ILE A 66 4.981 -25.707 -5.171 1.00 9.61 N ATOM 613 CA ILE A 66 5.271 -24.323 -4.796 1.00 10.41 C ATOM 614 C ILE A 66 6.331 -24.282 -3.697 1.00 10.27 C ATOM 615 O ILE A 66 7.327 -23.547 -3.795 1.00 13.19 O ATOM 616 CB ILE A 66 3.976 -23.601 -4.382 1.00 10.74 C ATOM 617 CG1 ILE A 66 3.056 -23.450 -5.591 1.00 9.60 C ATOM 618 CG2 ILE A 66 4.287 -22.249 -3.763 1.00 10.73 C ATOM 619 CD1 ILE A 66 1.657 -23.056 -5.235 1.00 10.56 C ATOM 620 H ILE A 66 4.015 -26.078 -5.065 1.00 0.00 H ATOM 621 N GLU A 67 6.149 -25.087 -2.643 1.00 11.41 N ATOM 622 CA GLU A 67 7.113 -25.097 -1.545 1.00 10.79 C ATOM 623 C GLU A 67 8.493 -25.558 -2.006 1.00 13.22 C ATOM 624 O GLU A 67 9.504 -25.177 -1.402 1.00 17.31 O ATOM 625 CB GLU A 67 6.576 -25.972 -0.405 1.00 14.12 C ATOM 626 CG GLU A 67 5.357 -25.360 0.288 1.00 17.86 C ATOM 627 CD GLU A 67 4.687 -26.277 1.291 1.00 30.76 C ATOM 628 OE1 GLU A 67 3.567 -25.941 1.738 1.00 34.27 O ATOM 629 OE2 GLU A 67 5.266 -27.326 1.633 1.00 29.59 O ATOM 630 H GLU A 67 5.316 -25.709 -2.605 1.00 0.00 H ATOM 631 N GLU A 68 8.564 -26.368 -3.060 1.00 10.59 N ATOM 632 CA GLU A 68 9.835 -26.808 -3.619 1.00 11.76 C ATOM 633 C GLU A 68 10.430 -25.803 -4.600 1.00 13.02 C ATOM 634 O GLU A 68 11.510 -26.064 -5.145 1.00 15.23 O ATOM 635 CB GLU A 68 9.657 -28.169 -4.309 1.00 13.01 C ATOM 636 CG GLU A 68 10.923 -29.041 -4.365 1.00 12.34 C ATOM 637 CD GLU A 68 11.322 -29.609 -3.008 1.00 16.20 C ATOM 638 OE1 GLU A 68 10.450 -29.725 -2.119 1.00 15.24 O ATOM 639 OE2 GLU A 68 12.522 -29.928 -2.829 1.00 17.35 O ATOM 640 H GLU A 68 7.681 -26.698 -3.500 1.00 0.00 H ATOM 641 N LYS A 69 9.746 -24.680 -4.834 1.00 12.55 N ATOM 642 CA LYS A 69 10.126 -23.671 -5.834 1.00 12.13 C ATOM 643 C LYS A 69 10.175 -24.259 -7.241 1.00 12.66 C ATOM 644 O LYS A 69 10.966 -23.837 -8.091 1.00 16.51 O ATOM 645 CB LYS A 69 11.451 -22.998 -5.472 1.00 14.87 C ATOM 646 CG LYS A 69 11.447 -22.409 -4.066 1.00 16.16 C ATOM 647 CD LYS A 69 12.826 -21.879 -3.701 1.00 18.86 C ATOM 648 CE LYS A 69 12.750 -20.888 -2.548 1.00 31.89 C ATOM 649 NZ LYS A 69 12.554 -21.571 -1.245 1.00 41.43 N ATOM 650 HZ1 LYS A 69 11.667 -22.113 -1.269 1.00 0.00 H ATOM 651 HZ2 LYS A 69 13.351 -22.216 -1.070 1.00 0.00 H ATOM 652 HZ3 LYS A 69 12.508 -20.861 -0.486 1.00 0.00 H ATOM 653 H LYS A 69 8.888 -24.508 -4.272 1.00 0.00 H ATOM 654 N ASP A 70 9.326 -25.242 -7.495 1.00 11.79 N ATOM 655 CA ASP A 70 9.247 -25.879 -8.805 1.00 10.75 C ATOM 656 C ASP A 70 8.054 -25.320 -9.575 1.00 10.32 C ATOM 657 O ASP A 70 7.079 -26.015 -9.874 1.00 10.96 O ATOM 658 CB ASP A 70 9.150 -27.391 -8.649 1.00 12.48 C ATOM 659 CG ASP A 70 9.430 -28.139 -9.942 1.00 15.73 C ATOM 660 OD1 ASP A 70 9.624 -27.507 -10.996 1.00 15.65 O ATOM 661 OD2 ASP A 70 9.422 -29.386 -9.900 1.00 20.49 O ATOM 662 H ASP A 70 8.695 -25.571 -6.736 1.00 0.00 H ATOM 663 N LEU A 71 8.145 -24.024 -9.876 1.00 11.68 N ATOM 664 CA LEU A 71 7.060 -23.369 -10.594 1.00 11.45 C ATOM 665 C LEU A 71 7.004 -23.811 -12.051 1.00 12.48 C ATOM 666 O LEU A 71 5.928 -23.777 -12.656 1.00 11.32 O ATOM 667 CB LEU A 71 7.195 -21.844 -10.484 1.00 10.23 C ATOM 668 CG LEU A 71 7.179 -21.269 -9.068 1.00 11.40 C ATOM 669 CD1 LEU A 71 7.229 -19.732 -9.128 1.00 14.27 C ATOM 670 CD2 LEU A 71 5.976 -21.760 -8.274 1.00 14.47 C ATOM 671 H LEU A 71 8.988 -23.482 -9.599 1.00 0.00 H ATOM 672 N GLU A 72 8.125 -24.247 -12.633 1.00 11.56 N ATOM 673 CA GLU A 72 8.063 -24.795 -13.987 1.00 14.74 C ATOM 674 C GLU A 72 7.127 -25.998 -14.050 1.00 12.57 C ATOM 675 O GLU A 72 6.262 -26.090 -14.936 1.00 14.23 O ATOM 676 CB GLU A 72 9.456 -25.190 -14.471 1.00 16.44 C ATOM 677 CG GLU A 72 9.452 -25.708 -15.909 1.00 28.94 C ATOM 678 CD GLU A 72 8.764 -24.752 -16.882 1.00 44.61 C ATOM 679 OE1 GLU A 72 9.339 -23.678 -17.167 1.00 52.24 O ATOM 680 OE2 GLU A 72 7.646 -25.070 -17.361 1.00 43.12 O ATOM 681 H GLU A 72 9.033 -24.197 -12.128 1.00 0.00 H ATOM 682 N LYS A 73 7.256 -26.920 -13.095 1.00 11.83 N ATOM 683 CA LYS A 73 6.377 -28.081 -13.101 1.00 11.86 C ATOM 684 C LYS A 73 4.949 -27.693 -12.730 1.00 12.97 C ATOM 685 O LYS A 73 3.991 -28.221 -13.301 1.00 13.12 O ATOM 686 CB LYS A 73 6.928 -29.156 -12.169 1.00 15.30 C ATOM 687 CG LYS A 73 6.155 -30.454 -12.233 1.00 20.69 C ATOM 688 CD LYS A 73 6.940 -31.579 -11.589 1.00 33.31 C ATOM 689 CE LYS A 73 8.218 -31.860 -12.353 1.00 38.09 C ATOM 690 NZ LYS A 73 9.425 -31.613 -11.520 1.00 45.98 N ATOM 691 HZ1 LYS A 73 9.437 -30.618 -11.216 1.00 0.00 H ATOM 692 HZ2 LYS A 73 9.401 -32.232 -10.684 1.00 0.00 H ATOM 693 HZ3 LYS A 73 10.278 -31.817 -12.079 1.00 0.00 H ATOM 694 H LYS A 73 7.977 -26.811 -12.354 1.00 0.00 H ATOM 695 N LEU A 74 4.784 -26.751 -11.799 1.00 10.13 N ATOM 696 CA LEU A 74 3.441 -26.284 -11.465 1.00 9.83 C ATOM 697 C LEU A 74 2.718 -25.764 -12.699 1.00 10.50 C ATOM 698 O LEU A 74 1.542 -26.080 -12.920 1.00 10.82 O ATOM 699 CB LEU A 74 3.509 -25.186 -10.403 1.00 10.14 C ATOM 700 CG LEU A 74 2.140 -24.628 -10.005 1.00 8.26 C ATOM 701 CD1 LEU A 74 1.309 -25.672 -9.235 1.00 7.91 C ATOM 702 CD2 LEU A 74 2.298 -23.352 -9.203 1.00 11.93 C ATOM 703 H LEU A 74 5.611 -26.350 -11.312 1.00 0.00 H ATOM 704 N ASP A 75 3.411 -24.975 -13.527 1.00 9.73 N ATOM 705 CA ASP A 75 2.791 -24.420 -14.727 1.00 9.44 C ATOM 706 C ASP A 75 2.361 -25.522 -15.690 1.00 12.38 C ATOM 707 O ASP A 75 1.256 -25.476 -16.243 1.00 10.80 O ATOM 708 CB ASP A 75 3.772 -23.450 -15.392 1.00 11.00 C ATOM 709 CG ASP A 75 3.145 -22.650 -16.523 1.00 16.61 C ATOM 710 OD1 ASP A 75 2.159 -21.926 -16.282 1.00 23.10 O ATOM 711 OD2 ASP A 75 3.649 -22.757 -17.653 1.00 20.21 O ATOM 712 H ASP A 75 4.405 -24.754 -13.314 1.00 0.00 H ATOM 713 N LEU A 76 3.223 -26.517 -15.905 1.00 11.08 N ATOM 714 CA LEU A 76 2.881 -27.644 -16.771 1.00 12.77 C ATOM 715 C LEU A 76 1.657 -28.391 -16.259 1.00 12.25 C ATOM 716 O LEU A 76 0.766 -28.745 -17.036 1.00 11.03 O ATOM 717 CB LEU A 76 4.065 -28.606 -16.888 1.00 12.57 C ATOM 718 CG LEU A 76 5.301 -28.122 -17.649 1.00 17.17 C ATOM 719 CD1 LEU A 76 6.415 -29.136 -17.498 1.00 20.34 C ATOM 720 CD2 LEU A 76 4.991 -27.884 -19.121 1.00 18.96 C ATOM 721 H LEU A 76 4.157 -26.490 -15.448 1.00 0.00 H ATOM 722 N VAL A 77 1.615 -28.664 -14.954 1.00 10.37 N ATOM 723 CA VAL A 77 0.525 -29.443 -14.375 1.00 9.53 C ATOM 724 C VAL A 77 -0.790 -28.675 -14.455 1.00 11.84 C ATOM 725 O VAL A 77 -1.832 -29.234 -14.824 1.00 9.85 O ATOM 726 CB VAL A 77 0.870 -29.823 -12.923 1.00 10.28 C ATOM 727 CG1 VAL A 77 -0.332 -30.443 -12.213 1.00 15.57 C ATOM 728 CG2 VAL A 77 2.039 -30.793 -12.890 1.00 17.78 C ATOM 729 H VAL A 77 2.375 -28.314 -14.336 1.00 0.00 H ATOM 730 N ILE A 78 -0.767 -27.388 -14.083 1.00 9.04 N ATOM 731 CA ILE A 78 -1.976 -26.569 -14.132 1.00 9.12 C ATOM 732 C ILE A 78 -2.499 -26.458 -15.561 1.00 10.13 C ATOM 733 O ILE A 78 -3.698 -26.608 -15.808 1.00 9.90 O ATOM 734 CB ILE A 78 -1.710 -25.182 -13.521 1.00 10.56 C ATOM 735 CG1 ILE A 78 -1.495 -25.295 -12.014 1.00 12.45 C ATOM 736 CG2 ILE A 78 -2.880 -24.223 -13.841 1.00 11.24 C ATOM 737 CD1 ILE A 78 -2.776 -25.596 -11.241 1.00 12.34 C ATOM 738 H ILE A 78 0.125 -26.966 -13.754 1.00 0.00 H ATOM 739 N LYS A 79 -1.614 -26.204 -16.527 1.00 8.94 N ATOM 740 CA LYS A 79 -2.059 -26.093 -17.913 1.00 9.13 C ATOM 741 C LYS A 79 -2.642 -27.406 -18.429 1.00 11.74 C ATOM 742 O LYS A 79 -3.621 -27.400 -19.190 1.00 12.86 O ATOM 743 CB LYS A 79 -0.898 -25.626 -18.795 1.00 12.96 C ATOM 744 CG LYS A 79 -0.580 -24.146 -18.598 1.00 15.72 C ATOM 745 CD LYS A 79 0.643 -23.699 -19.364 1.00 17.90 C ATOM 746 CE LYS A 79 0.790 -22.180 -19.297 1.00 22.11 C ATOM 747 NZ LYS A 79 2.124 -21.726 -19.769 1.00 30.41 N ATOM 748 HZ1 LYS A 79 2.864 -22.150 -19.174 1.00 0.00 H ATOM 749 HZ2 LYS A 79 2.260 -22.022 -20.757 1.00 0.00 H ATOM 750 HZ3 LYS A 79 2.178 -20.689 -19.706 1.00 0.00 H ATOM 751 H LYS A 79 -0.608 -26.085 -16.293 1.00 0.00 H ATOM 752 N TYR A 80 -2.062 -28.543 -18.032 1.00 9.88 N ATOM 753 CA TYR A 80 -2.576 -29.826 -18.496 1.00 9.45 C ATOM 754 C TYR A 80 -3.955 -30.098 -17.913 1.00 11.37 C ATOM 755 O TYR A 80 -4.868 -30.538 -18.627 1.00 11.29 O ATOM 756 CB TYR A 80 -1.610 -30.959 -18.132 1.00 10.41 C ATOM 757 CG TYR A 80 -1.972 -32.269 -18.799 1.00 11.48 C ATOM 758 CD1 TYR A 80 -1.903 -32.395 -20.175 1.00 14.09 C ATOM 759 CD2 TYR A 80 -2.389 -33.373 -18.059 1.00 13.16 C ATOM 760 CE1 TYR A 80 -2.235 -33.584 -20.802 1.00 16.46 C ATOM 761 CE2 TYR A 80 -2.729 -34.566 -18.676 1.00 17.42 C ATOM 762 CZ TYR A 80 -2.650 -34.662 -20.052 1.00 16.74 C ATOM 763 OH TYR A 80 -2.976 -35.843 -20.690 1.00 20.47 O ATOM 764 HH TYR A 80 -2.862 -35.731 -21.667 1.00 0.00 H ATOM 765 H TYR A 80 -1.243 -28.512 -17.391 1.00 0.00 H ATOM 766 N MET A 81 -4.130 -29.821 -16.619 1.00 9.27 N ATOM 767 CA MET A 81 -5.441 -30.020 -16.010 1.00 8.42 C ATOM 768 C MET A 81 -6.455 -29.057 -16.592 1.00 9.65 C ATOM 769 O MET A 81 -7.620 -29.423 -16.789 1.00 9.54 O ATOM 770 CB MET A 81 -5.362 -29.850 -14.497 1.00 8.89 C ATOM 771 CG MET A 81 -4.532 -30.944 -13.843 1.00 8.27 C ATOM 772 SD MET A 81 -4.603 -30.930 -12.053 1.00 11.23 S ATOM 773 CE MET A 81 -3.874 -29.342 -11.657 1.00 11.68 C ATOM 774 H MET A 81 -3.337 -29.465 -16.048 1.00 0.00 H ATOM 775 N LYS A 82 -6.037 -27.813 -16.849 1.00 10.06 N ATOM 776 CA LYS A 82 -6.941 -26.846 -17.465 1.00 8.67 C ATOM 777 C LYS A 82 -7.473 -27.376 -18.788 1.00 10.82 C ATOM 778 O LYS A 82 -8.684 -27.345 -19.045 1.00 11.08 O ATOM 779 CB LYS A 82 -6.213 -25.511 -17.657 1.00 10.18 C ATOM 780 CG LYS A 82 -7.086 -24.434 -18.262 1.00 13.59 C ATOM 781 CD LYS A 82 -6.372 -23.089 -18.306 1.00 16.20 C ATOM 782 CE LYS A 82 -7.258 -22.054 -19.009 1.00 22.05 C ATOM 783 NZ LYS A 82 -6.924 -20.670 -18.571 1.00 34.25 N ATOM 784 HZ1 LYS A 82 -7.069 -20.588 -17.544 1.00 0.00 H ATOM 785 HZ2 LYS A 82 -5.930 -20.466 -18.799 1.00 0.00 H ATOM 786 HZ3 LYS A 82 -7.541 -19.993 -19.064 1.00 0.00 H ATOM 787 H LYS A 82 -5.064 -27.533 -16.609 1.00 0.00 H ATOM 788 N ARG A 83 -6.583 -27.908 -19.627 1.00 9.71 N ATOM 789 CA ARG A 83 -6.993 -28.432 -20.925 1.00 11.01 C ATOM 790 C ARG A 83 -8.013 -29.556 -20.770 1.00 11.51 C ATOM 791 O ARG A 83 -9.101 -29.515 -21.365 1.00 11.36 O ATOM 792 CB ARG A 83 -5.761 -28.923 -21.688 1.00 13.82 C ATOM 793 CG ARG A 83 -6.056 -29.518 -23.047 1.00 17.54 C ATOM 794 CD ARG A 83 -4.813 -30.195 -23.614 1.00 19.87 C ATOM 795 NE ARG A 83 -5.148 -31.066 -24.735 1.00 28.50 N ATOM 796 CZ ARG A 83 -4.386 -32.068 -25.162 1.00 42.40 C ATOM 797 NH1 ARG A 83 -3.229 -32.328 -24.566 1.00 40.68 N ATOM 798 NH2 ARG A 83 -4.781 -32.804 -26.194 1.00 47.42 N ATOM 799 HE ARG A 83 -6.044 -30.891 -25.234 1.00 0.00 H ATOM 800 HH12 ARG A 83 -2.635 -33.113 -24.903 1.00 0.00 H ATOM 801 HH11 ARG A 83 -2.916 -31.747 -23.762 1.00 0.00 H ATOM 802 HH22 ARG A 83 -4.187 -33.589 -26.531 1.00 0.00 H ATOM 803 HH21 ARG A 83 -5.684 -32.596 -26.666 1.00 0.00 H ATOM 804 H ARG A 83 -5.581 -27.950 -19.351 1.00 0.00 H ATOM 805 N LEU A 84 -7.682 -30.573 -19.967 1.00 10.22 N ATOM 806 CA LEU A 84 -8.537 -31.753 -19.907 1.00 10.85 C ATOM 807 C LEU A 84 -9.821 -31.486 -19.138 1.00 9.72 C ATOM 808 O LEU A 84 -10.885 -31.985 -19.524 1.00 11.32 O ATOM 809 CB LEU A 84 -7.788 -32.926 -19.278 1.00 11.69 C ATOM 810 CG LEU A 84 -6.582 -33.473 -20.044 1.00 18.23 C ATOM 811 CD1 LEU A 84 -6.138 -34.749 -19.389 1.00 17.80 C ATOM 812 CD2 LEU A 84 -6.896 -33.690 -21.515 1.00 22.16 C ATOM 813 H LEU A 84 -6.819 -30.523 -19.388 1.00 0.00 H ATOM 814 N MET A 85 -9.752 -30.712 -18.052 1.00 9.05 N ATOM 815 CA MET A 85 -10.944 -30.506 -17.227 1.00 7.76 C ATOM 816 C MET A 85 -11.908 -29.511 -17.862 1.00 10.78 C ATOM 817 O MET A 85 -13.125 -29.718 -17.814 1.00 10.56 O ATOM 818 CB MET A 85 -10.548 -30.034 -15.829 1.00 9.06 C ATOM 819 CG MET A 85 -9.817 -31.100 -15.048 1.00 8.78 C ATOM 820 SD MET A 85 -9.418 -30.543 -13.380 1.00 10.41 S ATOM 821 CE MET A 85 -8.383 -31.890 -12.833 1.00 12.45 C ATOM 822 H MET A 85 -8.854 -30.257 -17.793 1.00 0.00 H ATOM 823 N GLN A 86 -11.395 -28.424 -18.454 1.00 9.80 N ATOM 824 CA GLN A 86 -12.295 -27.429 -19.026 1.00 11.40 C ATOM 825 C GLN A 86 -12.981 -27.917 -20.294 1.00 12.94 C ATOM 826 O GLN A 86 -14.040 -27.388 -20.647 1.00 15.62 O ATOM 827 CB GLN A 86 -11.550 -26.126 -19.308 1.00 11.58 C ATOM 828 CG GLN A 86 -11.191 -25.393 -18.035 1.00 10.64 C ATOM 829 CD GLN A 86 -10.760 -23.971 -18.287 1.00 11.24 C ATOM 830 OE1 GLN A 86 -10.164 -23.661 -19.316 1.00 14.56 O ATOM 831 NE2 GLN A 86 -11.055 -23.089 -17.331 1.00 15.07 N ATOM 832 HE22 GLN A 86 -11.561 -23.398 -16.477 1.00 0.00 H ATOM 833 HE21 GLN A 86 -10.779 -22.092 -17.440 1.00 0.00 H ATOM 834 H GLN A 86 -10.365 -28.291 -18.505 1.00 0.00 H ATOM 835 N GLN A 87 -12.420 -28.911 -20.987 1.00 9.83 N ATOM 836 CA GLN A 87 -13.075 -29.453 -22.171 1.00 10.83 C ATOM 837 C GLN A 87 -14.065 -30.561 -21.836 1.00 10.38 C ATOM 838 O GLN A 87 -14.782 -31.028 -22.728 1.00 12.43 O ATOM 839 CB GLN A 87 -12.038 -29.979 -23.170 1.00 14.24 C ATOM 840 CG GLN A 87 -11.526 -31.381 -22.853 1.00 12.78 C ATOM 841 CD GLN A 87 -10.388 -31.808 -23.762 1.00 18.97 C ATOM 842 OE1 GLN A 87 -10.013 -31.088 -24.690 1.00 17.64 O ATOM 843 NE2 GLN A 87 -9.838 -32.988 -23.502 1.00 18.96 N ATOM 844 HE22 GLN A 87 -10.188 -33.561 -22.708 1.00 0.00 H ATOM 845 HE21 GLN A 87 -9.057 -33.339 -24.093 1.00 0.00 H ATOM 846 H GLN A 87 -11.507 -29.302 -20.679 1.00 0.00 H ATOM 847 N SER A 88 -14.130 -30.984 -20.579 1.00 9.37 N ATOM 848 CA SER A 88 -14.992 -32.100 -20.212 1.00 10.05 C ATOM 849 C SER A 88 -16.463 -31.776 -20.435 1.00 11.21 C ATOM 850 O SER A 88 -16.927 -30.664 -20.156 1.00 12.58 O ATOM 851 CB SER A 88 -14.782 -32.454 -18.740 1.00 11.80 C ATOM 852 OG SER A 88 -15.604 -33.560 -18.384 1.00 11.37 O ATOM 853 HG SER A 88 -15.366 -34.340 -18.945 1.00 0.00 H ATOM 854 H SER A 88 -13.559 -30.513 -19.848 1.00 0.00 H ATOM 855 N VAL A 89 -17.210 -32.786 -20.897 1.00 10.36 N ATOM 856 CA VAL A 89 -18.665 -32.668 -20.963 1.00 10.19 C ATOM 857 C VAL A 89 -19.323 -32.821 -19.601 1.00 13.04 C ATOM 858 O VAL A 89 -20.536 -32.598 -19.481 1.00 15.61 O ATOM 859 CB VAL A 89 -19.261 -33.697 -21.942 1.00 11.19 C ATOM 860 CG1 VAL A 89 -18.669 -33.524 -23.336 1.00 10.54 C ATOM 861 CG2 VAL A 89 -19.077 -35.143 -21.418 1.00 13.47 C ATOM 862 H VAL A 89 -16.750 -33.664 -21.212 1.00 0.00 H ATOM 863 N GLU A 90 -18.571 -33.198 -18.570 1.00 11.65 N ATOM 864 CA GLU A 90 -19.098 -33.285 -17.210 1.00 13.38 C ATOM 865 C GLU A 90 -18.864 -31.965 -16.483 1.00 11.03 C ATOM 866 O GLU A 90 -17.709 -31.561 -16.280 1.00 13.48 O ATOM 867 CB GLU A 90 -18.430 -34.422 -16.439 1.00 15.05 C ATOM 868 CG GLU A 90 -18.372 -35.733 -17.173 1.00 19.94 C ATOM 869 CD GLU A 90 -19.741 -36.346 -17.362 1.00 33.47 C ATOM 870 OE1 GLU A 90 -19.907 -37.152 -18.301 1.00 33.93 O ATOM 871 OE2 GLU A 90 -20.650 -36.027 -16.564 1.00 34.34 O ATOM 872 H GLU A 90 -17.573 -33.439 -18.738 1.00 0.00 H ATOM 873 N SER A 91 -19.951 -31.302 -16.065 1.00 14.76 N ATOM 874 CA SER A 91 -19.815 -30.019 -15.377 1.00 16.26 C ATOM 875 C SER A 91 -18.955 -30.118 -14.117 1.00 16.07 C ATOM 876 O SER A 91 -18.285 -29.144 -13.749 1.00 14.50 O ATOM 877 CB SER A 91 -21.199 -29.455 -15.034 1.00 19.69 C ATOM 878 OG SER A 91 -21.894 -30.294 -14.123 1.00 24.04 O ATOM 879 HG SER A 91 -22.012 -31.190 -14.526 1.00 0.00 H ATOM 880 H SER A 91 -20.896 -31.702 -16.231 1.00 0.00 H ATOM 881 N VAL A 92 -18.945 -31.271 -13.443 1.00 11.00 N ATOM 882 CA VAL A 92 -18.189 -31.352 -12.198 1.00 10.38 C ATOM 883 C VAL A 92 -16.699 -31.183 -12.461 1.00 12.99 C ATOM 884 O VAL A 92 -15.973 -30.658 -11.610 1.00 12.73 O ATOM 885 CB VAL A 92 -18.503 -32.671 -11.459 1.00 10.90 C ATOM 886 CG1 VAL A 92 -17.997 -33.871 -12.245 1.00 14.29 C ATOM 887 CG2 VAL A 92 -17.879 -32.672 -10.055 1.00 12.04 C ATOM 888 H VAL A 92 -19.467 -32.097 -13.800 1.00 0.00 H ATOM 889 N TRP A 93 -16.216 -31.587 -13.640 1.00 10.44 N ATOM 890 CA TRP A 93 -14.789 -31.436 -13.891 1.00 10.34 C ATOM 891 C TRP A 93 -14.410 -29.976 -14.093 1.00 10.65 C ATOM 892 O TRP A 93 -13.318 -29.558 -13.682 1.00 10.15 O ATOM 893 CB TRP A 93 -14.372 -32.287 -15.090 1.00 10.71 C ATOM 894 CG TRP A 93 -14.061 -33.710 -14.728 1.00 10.41 C ATOM 895 CD1 TRP A 93 -14.694 -34.836 -15.186 1.00 10.50 C ATOM 896 CD2 TRP A 93 -13.061 -34.160 -13.816 1.00 9.77 C ATOM 897 NE1 TRP A 93 -14.131 -35.955 -14.629 1.00 14.61 N ATOM 898 CE2 TRP A 93 -13.125 -35.567 -13.782 1.00 12.78 C ATOM 899 CE3 TRP A 93 -12.103 -33.508 -13.036 1.00 10.87 C ATOM 900 CZ2 TRP A 93 -12.280 -36.330 -12.990 1.00 18.21 C ATOM 901 CZ3 TRP A 93 -11.257 -34.268 -12.258 1.00 14.24 C ATOM 902 CH2 TRP A 93 -11.352 -35.664 -12.240 1.00 16.13 C ATOM 903 HE1 TRP A 93 -14.419 -36.936 -14.818 1.00 0.00 H ATOM 904 H TRP A 93 -16.843 -31.999 -14.360 1.00 0.00 H ATOM 905 N ASN A 94 -15.286 -29.177 -14.698 1.00 12.16 N ATOM 906 CA ASN A 94 -15.000 -27.752 -14.772 1.00 12.66 C ATOM 907 C ASN A 94 -14.962 -27.133 -13.382 1.00 14.59 C ATOM 908 O ASN A 94 -14.077 -26.322 -13.079 1.00 16.33 O ATOM 909 CB ASN A 94 -16.023 -27.048 -15.654 1.00 17.82 C ATOM 910 CG ASN A 94 -15.581 -25.648 -16.006 1.00 30.90 C ATOM 911 OD1 ASN A 94 -14.569 -25.466 -16.689 1.00 26.31 O ATOM 912 ND2 ASN A 94 -16.318 -24.649 -15.531 1.00 41.46 N ATOM 913 HD22 ASN A 94 -17.163 -24.852 -14.960 1.00 0.00 H ATOM 914 HD21 ASN A 94 -16.050 -23.664 -15.731 1.00 0.00 H ATOM 915 H ASN A 94 -16.159 -29.564 -15.110 1.00 0.00 H ATOM 916 N MET A 95 -15.893 -27.536 -12.508 1.00 12.85 N ATOM 917 CA MET A 95 -15.920 -27.046 -11.134 1.00 11.29 C ATOM 918 C MET A 95 -14.687 -27.491 -10.357 1.00 13.63 C ATOM 919 O MET A 95 -14.148 -26.733 -9.536 1.00 13.46 O ATOM 920 CB MET A 95 -17.185 -27.548 -10.440 1.00 14.80 C ATOM 921 CG MET A 95 -17.414 -26.972 -9.052 1.00 20.46 C ATOM 922 SD MET A 95 -18.975 -27.538 -8.347 1.00 33.20 S ATOM 923 CE MET A 95 -20.018 -27.494 -9.806 1.00 33.15 C ATOM 924 H MET A 95 -16.616 -28.217 -12.817 1.00 0.00 H ATOM 925 N ALA A 96 -14.242 -28.730 -10.583 1.00 10.39 N ATOM 926 CA ALA A 96 -13.019 -29.195 -9.940 1.00 9.50 C ATOM 927 C ALA A 96 -11.818 -28.348 -10.343 1.00 9.03 C ATOM 928 O ALA A 96 -10.983 -28.001 -9.492 1.00 10.22 O ATOM 929 CB ALA A 96 -12.774 -30.667 -10.273 1.00 11.43 C ATOM 930 H ALA A 96 -14.768 -29.363 -11.218 1.00 0.00 H ATOM 931 N PHE A 97 -11.709 -28.004 -11.631 1.00 8.00 N ATOM 932 CA PHE A 97 -10.581 -27.176 -12.052 1.00 8.75 C ATOM 933 C PHE A 97 -10.628 -25.801 -11.391 1.00 9.48 C ATOM 934 O PHE A 97 -9.593 -25.290 -10.936 1.00 9.50 O ATOM 935 CB PHE A 97 -10.518 -26.995 -13.571 1.00 9.43 C ATOM 936 CG PHE A 97 -9.370 -26.133 -13.966 1.00 8.95 C ATOM 937 CD1 PHE A 97 -8.078 -26.622 -13.853 1.00 10.16 C ATOM 938 CD2 PHE A 97 -9.562 -24.808 -14.320 1.00 11.58 C ATOM 939 CE1 PHE A 97 -6.993 -25.835 -14.124 1.00 11.15 C ATOM 940 CE2 PHE A 97 -8.463 -23.995 -14.601 1.00 12.31 C ATOM 941 CZ PHE A 97 -7.179 -24.518 -14.519 1.00 11.66 C ATOM 942 H PHE A 97 -12.417 -28.321 -12.323 1.00 0.00 H ATOM 943 N ASP A 98 -11.809 -25.180 -11.349 1.00 9.49 N ATOM 944 CA ASP A 98 -11.927 -23.893 -10.673 1.00 11.87 C ATOM 945 C ASP A 98 -11.471 -23.994 -9.231 1.00 10.74 C ATOM 946 O ASP A 98 -10.778 -23.100 -8.734 1.00 11.32 O ATOM 947 CB ASP A 98 -13.368 -23.391 -10.708 1.00 10.03 C ATOM 948 CG ASP A 98 -13.800 -22.925 -12.075 1.00 16.55 C ATOM 949 OD1 ASP A 98 -12.947 -22.792 -12.967 1.00 18.03 O ATOM 950 OD2 ASP A 98 -15.014 -22.686 -12.238 1.00 22.72 O ATOM 951 H ASP A 98 -12.642 -25.612 -11.797 1.00 0.00 H ATOM 952 N PHE A 99 -11.870 -25.069 -8.536 1.00 9.57 N ATOM 953 CA PHE A 99 -11.487 -25.250 -7.139 1.00 10.57 C ATOM 954 C PHE A 99 -9.982 -25.429 -7.006 1.00 10.12 C ATOM 955 O PHE A 99 -9.343 -24.819 -6.148 1.00 9.19 O ATOM 956 CB PHE A 99 -12.230 -26.461 -6.563 1.00 9.48 C ATOM 957 CG PHE A 99 -11.916 -26.766 -5.119 1.00 9.23 C ATOM 958 CD1 PHE A 99 -10.869 -27.616 -4.786 1.00 13.47 C ATOM 959 CD2 PHE A 99 -12.687 -26.242 -4.106 1.00 12.68 C ATOM 960 CE1 PHE A 99 -10.580 -27.911 -3.455 1.00 16.49 C ATOM 961 CE2 PHE A 99 -12.411 -26.531 -2.768 1.00 15.71 C ATOM 962 CZ PHE A 99 -11.357 -27.365 -2.446 1.00 14.62 C ATOM 963 H PHE A 99 -12.463 -25.786 -9.000 1.00 0.00 H ATOM 964 N ILE A 100 -9.397 -26.271 -7.851 1.00 9.76 N ATOM 965 CA ILE A 100 -7.956 -26.494 -7.792 1.00 7.79 C ATOM 966 C ILE A 100 -7.209 -25.193 -8.069 1.00 8.24 C ATOM 967 O ILE A 100 -6.304 -24.797 -7.320 1.00 8.79 O ATOM 968 CB ILE A 100 -7.552 -27.600 -8.785 1.00 8.67 C ATOM 969 CG1 ILE A 100 -8.106 -28.955 -8.331 1.00 10.15 C ATOM 970 CG2 ILE A 100 -6.031 -27.630 -8.959 1.00 10.11 C ATOM 971 CD1 ILE A 100 -8.093 -30.011 -9.414 1.00 10.06 C ATOM 972 H ILE A 100 -9.969 -26.774 -8.559 1.00 0.00 H ATOM 973 N LEU A 101 -7.590 -24.495 -9.140 1.00 8.52 N ATOM 974 CA LEU A 101 -6.880 -23.267 -9.489 1.00 7.12 C ATOM 975 C LEU A 101 -7.013 -22.218 -8.394 1.00 8.48 C ATOM 976 O LEU A 101 -6.030 -21.551 -8.042 1.00 9.52 O ATOM 977 CB LEU A 101 -7.403 -22.718 -10.817 1.00 9.44 C ATOM 978 CG LEU A 101 -6.695 -21.438 -11.262 1.00 10.43 C ATOM 979 CD1 LEU A 101 -5.250 -21.732 -11.618 1.00 12.76 C ATOM 980 CD2 LEU A 101 -7.436 -20.854 -12.455 1.00 12.39 C ATOM 981 H LEU A 101 -8.387 -24.823 -9.722 1.00 0.00 H ATOM 982 N ASP A 102 -8.221 -22.048 -7.848 1.00 10.49 N ATOM 983 CA ASP A 102 -8.413 -21.036 -6.815 1.00 11.26 C ATOM 984 C ASP A 102 -7.540 -21.321 -5.606 1.00 10.67 C ATOM 985 O ASP A 102 -6.880 -20.416 -5.077 1.00 10.48 O ATOM 986 CB ASP A 102 -9.885 -20.968 -6.405 1.00 10.50 C ATOM 987 CG ASP A 102 -10.102 -20.149 -5.147 1.00 13.66 C ATOM 988 OD1 ASP A 102 -9.722 -18.959 -5.133 1.00 22.73 O ATOM 989 OD2 ASP A 102 -10.657 -20.693 -4.169 1.00 21.64 O ATOM 990 H ASP A 102 -9.021 -22.635 -8.158 1.00 0.00 H ATOM 991 N ASN A 103 -7.498 -22.581 -5.174 1.00 9.93 N ATOM 992 CA ASN A 103 -6.703 -22.928 -4.007 1.00 12.32 C ATOM 993 C ASN A 103 -5.216 -22.778 -4.284 1.00 11.35 C ATOM 994 O ASN A 103 -4.467 -22.282 -3.431 1.00 12.84 O ATOM 995 CB ASN A 103 -7.055 -24.345 -3.561 1.00 12.29 C ATOM 996 CG ASN A 103 -8.280 -24.367 -2.676 1.00 19.82 C ATOM 997 OD1 ASN A 103 -8.188 -24.116 -1.473 1.00 22.74 O ATOM 998 ND2 ASN A 103 -9.439 -24.627 -3.263 1.00 15.89 N ATOM 999 HD22 ASN A 103 -9.471 -24.834 -4.282 1.00 0.00 H ATOM 1000 HD21 ASN A 103 -10.317 -24.624 -2.705 1.00 0.00 H ATOM 1001 H ASN A 103 -8.035 -23.318 -5.673 1.00 0.00 H ATOM 1002 N VAL A 104 -4.767 -23.176 -5.472 1.00 9.09 N ATOM 1003 CA VAL A 104 -3.356 -23.040 -5.803 1.00 8.56 C ATOM 1004 C VAL A 104 -2.960 -21.573 -5.880 1.00 11.04 C ATOM 1005 O VAL A 104 -1.885 -21.183 -5.407 1.00 12.64 O ATOM 1006 CB VAL A 104 -3.063 -23.801 -7.105 1.00 9.39 C ATOM 1007 CG1 VAL A 104 -1.690 -23.437 -7.658 1.00 15.99 C ATOM 1008 CG2 VAL A 104 -3.168 -25.292 -6.831 1.00 13.45 C ATOM 1009 H VAL A 104 -5.426 -23.585 -6.165 1.00 0.00 H ATOM 1010 N GLN A 105 -3.820 -20.723 -6.454 1.00 9.93 N ATOM 1011 CA GLN A 105 -3.474 -19.311 -6.556 1.00 10.40 C ATOM 1012 C GLN A 105 -3.443 -18.624 -5.195 1.00 11.40 C ATOM 1013 O GLN A 105 -2.621 -17.728 -4.990 1.00 12.56 O ATOM 1014 CB GLN A 105 -4.430 -18.607 -7.516 1.00 11.69 C ATOM 1015 CG GLN A 105 -4.175 -19.062 -8.945 1.00 12.79 C ATOM 1016 CD GLN A 105 -4.860 -18.206 -9.978 1.00 19.01 C ATOM 1017 OE1 GLN A 105 -6.052 -17.934 -9.880 1.00 20.05 O ATOM 1018 NE2 GLN A 105 -4.107 -17.780 -10.985 1.00 25.69 N ATOM 1019 HE22 GLN A 105 -3.100 -18.036 -11.026 1.00 0.00 H ATOM 1020 HE21 GLN A 105 -4.524 -17.190 -11.733 1.00 0.00 H ATOM 1021 H GLN A 105 -4.729 -21.068 -6.825 1.00 0.00 H ATOM 1022 N VAL A 106 -4.291 -19.032 -4.246 1.00 9.85 N ATOM 1023 CA VAL A 106 -4.184 -18.479 -2.896 1.00 10.76 C ATOM 1024 C VAL A 106 -2.838 -18.842 -2.286 1.00 13.80 C ATOM 1025 O VAL A 106 -2.137 -17.988 -1.725 1.00 12.28 O ATOM 1026 CB VAL A 106 -5.345 -18.963 -2.012 1.00 12.18 C ATOM 1027 CG1 VAL A 106 -5.070 -18.651 -0.536 1.00 15.18 C ATOM 1028 CG2 VAL A 106 -6.651 -18.321 -2.453 1.00 16.00 C ATOM 1029 H VAL A 106 -5.022 -19.738 -4.466 1.00 0.00 H ATOM 1030 N VAL A 107 -2.446 -20.112 -2.404 1.00 11.91 N ATOM 1031 CA VAL A 107 -1.171 -20.548 -1.838 1.00 10.86 C ATOM 1032 C VAL A 107 0.002 -19.815 -2.486 1.00 12.73 C ATOM 1033 O VAL A 107 0.943 -19.390 -1.803 1.00 12.50 O ATOM 1034 CB VAL A 107 -1.034 -22.073 -1.976 1.00 9.85 C ATOM 1035 CG1 VAL A 107 0.342 -22.512 -1.476 1.00 13.96 C ATOM 1036 CG2 VAL A 107 -2.114 -22.767 -1.167 1.00 13.46 C ATOM 1037 H VAL A 107 -3.051 -20.796 -2.902 1.00 0.00 H ATOM 1038 N LEU A 108 -0.021 -19.666 -3.813 1.00 10.86 N ATOM 1039 CA LEU A 108 1.059 -18.969 -4.502 1.00 12.66 C ATOM 1040 C LEU A 108 1.137 -17.517 -4.046 1.00 12.90 C ATOM 1041 O LEU A 108 2.218 -17.000 -3.730 1.00 15.45 O ATOM 1042 CB LEU A 108 0.832 -19.060 -6.018 1.00 13.36 C ATOM 1043 CG LEU A 108 2.033 -18.753 -6.912 1.00 18.62 C ATOM 1044 CD1 LEU A 108 3.240 -19.549 -6.498 1.00 18.07 C ATOM 1045 CD2 LEU A 108 1.663 -19.061 -8.346 1.00 24.74 C ATOM 1046 H LEU A 108 -0.817 -20.051 -4.361 1.00 0.00 H ATOM 1047 N GLN A 109 -0.015 -16.849 -3.982 1.00 11.70 N ATOM 1048 CA GLN A 109 -0.045 -15.444 -3.605 1.00 13.62 C ATOM 1049 C GLN A 109 0.481 -15.251 -2.194 1.00 14.96 C ATOM 1050 O GLN A 109 1.282 -14.343 -1.938 1.00 15.04 O ATOM 1051 CB GLN A 109 -1.472 -14.905 -3.736 1.00 14.06 C ATOM 1052 CG GLN A 109 -1.662 -13.475 -3.257 1.00 17.47 C ATOM 1053 CD GLN A 109 -1.986 -13.399 -1.786 1.00 18.43 C ATOM 1054 OE1 GLN A 109 -2.908 -14.062 -1.316 1.00 21.79 O ATOM 1055 NE2 GLN A 109 -1.235 -12.580 -1.045 1.00 22.68 N ATOM 1056 HE22 GLN A 109 -0.465 -12.038 -1.487 1.00 0.00 H ATOM 1057 HE21 GLN A 109 -1.420 -12.484 -0.026 1.00 0.00 H ATOM 1058 H GLN A 109 -0.905 -17.339 -4.205 1.00 0.00 H ATOM 1059 N GLN A 110 0.064 -16.108 -1.266 1.00 11.51 N ATOM 1060 CA GLN A 110 0.522 -15.953 0.111 1.00 12.02 C ATOM 1061 C GLN A 110 1.992 -16.323 0.258 1.00 14.80 C ATOM 1062 O GLN A 110 2.734 -15.648 0.982 1.00 14.77 O ATOM 1063 CB GLN A 110 -0.350 -16.795 1.040 1.00 12.07 C ATOM 1064 CG GLN A 110 -1.794 -16.341 1.022 1.00 12.35 C ATOM 1065 CD GLN A 110 -2.672 -17.093 1.983 1.00 12.84 C ATOM 1066 OE1 GLN A 110 -2.444 -18.276 2.272 1.00 13.52 O ATOM 1067 NE2 GLN A 110 -3.699 -16.410 2.478 1.00 12.59 N ATOM 1068 HE22 GLN A 110 -3.845 -15.418 2.202 1.00 0.00 H ATOM 1069 HE21 GLN A 110 -4.357 -16.868 3.141 1.00 0.00 H ATOM 1070 H GLN A 110 -0.583 -16.882 -1.520 1.00 0.00 H ATOM 1071 N THR A 111 2.430 -17.399 -0.404 1.00 13.17 N ATOM 1072 CA THR A 111 3.838 -17.774 -0.346 1.00 12.61 C ATOM 1073 C THR A 111 4.725 -16.626 -0.799 1.00 13.72 C ATOM 1074 O THR A 111 5.778 -16.361 -0.198 1.00 12.94 O ATOM 1075 CB THR A 111 4.078 -19.000 -1.220 1.00 14.23 C ATOM 1076 OG1 THR A 111 3.295 -20.084 -0.711 1.00 14.01 O ATOM 1077 CG2 THR A 111 5.566 -19.387 -1.243 1.00 15.51 C ATOM 1078 HG1 THR A 111 2.337 -19.836 -0.733 1.00 0.00 H ATOM 1079 H THR A 111 1.764 -17.970 -0.962 1.00 0.00 H ATOM 1080 N TYR A 112 4.311 -15.927 -1.855 1.00 13.96 N ATOM 1081 CA TYR A 112 5.033 -14.774 -2.378 1.00 12.63 C ATOM 1082 C TYR A 112 4.376 -13.461 -1.980 1.00 13.63 C ATOM 1083 O TYR A 112 4.452 -12.475 -2.716 1.00 13.72 O ATOM 1084 CB TYR A 112 5.166 -14.899 -3.895 1.00 12.78 C ATOM 1085 CG TYR A 112 6.083 -16.033 -4.258 1.00 12.83 C ATOM 1086 CD1 TYR A 112 7.452 -15.924 -4.046 1.00 14.98 C ATOM 1087 CD2 TYR A 112 5.596 -17.218 -4.789 1.00 14.25 C ATOM 1088 CE1 TYR A 112 8.309 -16.959 -4.351 1.00 15.18 C ATOM 1089 CE2 TYR A 112 6.453 -18.260 -5.106 1.00 15.97 C ATOM 1090 CZ TYR A 112 7.808 -18.124 -4.878 1.00 18.08 C ATOM 1091 OH TYR A 112 8.667 -19.152 -5.189 1.00 20.70 O ATOM 1092 HH TYR A 112 9.593 -18.886 -4.963 1.00 0.00 H ATOM 1093 H TYR A 112 3.432 -16.218 -2.328 1.00 0.00 H ATOM 1094 N GLY A 113 3.768 -13.428 -0.792 1.00 14.10 N ATOM 1095 CA GLY A 113 3.085 -12.229 -0.341 1.00 14.94 C ATOM 1096 C GLY A 113 3.979 -11.009 -0.267 1.00 16.24 C ATOM 1097 O GLY A 113 3.517 -9.891 -0.494 1.00 16.44 O ATOM 1098 H GLY A 113 3.784 -14.271 -0.183 1.00 0.00 H ATOM 1099 N SER A 114 5.258 -11.200 0.053 1.00 13.95 N ATOM 1100 CA SER A 114 6.173 -10.073 0.169 1.00 13.26 C ATOM 1101 C SER A 114 6.766 -9.664 -1.167 1.00 14.11 C ATOM 1102 O SER A 114 7.391 -8.599 -1.243 1.00 16.74 O ATOM 1103 CB SER A 114 7.319 -10.403 1.130 1.00 16.96 C ATOM 1104 OG SER A 114 8.206 -11.348 0.536 1.00 22.99 O ATOM 1105 HG SER A 114 8.582 -10.968 -0.297 1.00 0.00 H ATOM 1106 H SER A 114 5.607 -12.165 0.222 1.00 0.00 H ATOM 1107 N THR A 115 6.579 -10.477 -2.205 1.00 12.84 N ATOM 1108 CA THR A 115 7.185 -10.284 -3.515 1.00 11.58 C ATOM 1109 C THR A 115 6.199 -9.828 -4.578 1.00 11.26 C ATOM 1110 O THR A 115 6.551 -8.995 -5.425 1.00 12.17 O ATOM 1111 CB THR A 115 7.852 -11.598 -3.964 1.00 11.83 C ATOM 1112 OG1 THR A 115 8.870 -11.965 -3.020 1.00 17.50 O ATOM 1113 CG2 THR A 115 8.478 -11.474 -5.345 1.00 13.33 C ATOM 1114 HG1 THR A 115 8.461 -12.090 -2.127 1.00 0.00 H ATOM 1115 H THR A 115 5.961 -11.303 -2.072 1.00 0.00 H ATOM 1116 N LEU A 116 4.978 -10.359 -4.574 1.00 12.39 N ATOM 1117 CA LEU A 116 4.023 -10.164 -5.652 1.00 11.54 C ATOM 1118 C LEU A 116 2.809 -9.395 -5.163 1.00 13.33 C ATOM 1119 O LEU A 116 2.337 -9.599 -4.040 1.00 14.68 O ATOM 1120 CB LEU A 116 3.537 -11.498 -6.227 1.00 11.09 C ATOM 1121 CG LEU A 116 4.531 -12.349 -6.992 1.00 11.82 C ATOM 1122 CD1 LEU A 116 3.843 -13.624 -7.431 1.00 13.38 C ATOM 1123 CD2 LEU A 116 5.076 -11.566 -8.180 1.00 12.71 C ATOM 1124 H LEU A 116 4.694 -10.941 -3.760 1.00 0.00 H ATOM 1125 N LYS A 117 2.299 -8.526 -6.027 1.00 13.84 N ATOM 1126 CA LYS A 117 1.023 -7.860 -5.814 1.00 16.22 C ATOM 1127 C LYS A 117 0.072 -8.354 -6.897 1.00 13.39 C ATOM 1128 O LYS A 117 0.337 -8.180 -8.089 1.00 15.33 O ATOM 1129 CB LYS A 117 1.197 -6.343 -5.859 1.00 17.98 C ATOM 1130 CG LYS A 117 -0.104 -5.561 -5.873 1.00 27.87 C ATOM 1131 H LYS A 117 2.834 -8.312 -6.893 1.00 0.00 H ATOM 1132 N VAL A 118 -1.014 -9.000 -6.496 1.00 21.16 N ATOM 1133 CA VAL A 118 -1.971 -9.490 -7.480 1.00 19.04 C ATOM 1134 C VAL A 118 -2.844 -8.325 -7.917 1.00 22.01 C ATOM 1135 O VAL A 118 -3.378 -7.588 -7.084 1.00 25.89 O ATOM 1136 CB VAL A 118 -2.810 -10.641 -6.910 1.00 21.83 C ATOM 1137 CG1 VAL A 118 -3.800 -11.145 -7.957 1.00 27.94 C ATOM 1138 CG2 VAL A 118 -1.904 -11.761 -6.451 1.00 24.33 C ATOM 1139 H VAL A 118 -1.183 -9.157 -5.482 1.00 0.00 H ATOM 1140 N THR A 119 -2.969 -8.146 -9.223 1.00 22.48 N ATOM 1141 CA THR A 119 -3.661 -6.988 -9.767 1.00 26.20 C ATOM 1142 C THR A 119 -5.156 -7.063 -9.493 1.00 33.91 C ATOM 1143 O THR A 119 -5.761 -8.127 -9.591 1.00 32.16 O ATOM 1144 CB THR A 119 -3.415 -6.868 -11.271 1.00 25.74 C ATOM 1145 OG1 THR A 119 -2.006 -6.739 -11.503 1.00 22.86 O ATOM 1146 CG2 THR A 119 -4.136 -5.655 -11.845 1.00 30.37 C ATOM 1147 OXT THR A 119 -5.782 -6.059 -9.159 1.00 35.16 O ATOM 1148 HG1 THR A 119 -1.839 -6.661 -12.476 1.00 0.00 H ATOM 1149 H THR A 119 -2.564 -8.849 -9.874 1.00 0.00 H TER 1150 THR A 119 ATOM 1151 N MET B 3 33.777 2.311 -29.613 1.00 60.04 N ATOM 1152 CA MET B 3 32.568 2.349 -28.797 1.00 53.58 C ATOM 1153 C MET B 3 31.729 1.097 -29.011 1.00 43.04 C ATOM 1154 O MET B 3 31.329 0.780 -30.132 1.00 35.73 O ATOM 1155 CB MET B 3 31.739 3.594 -29.111 1.00 49.69 C ATOM 1156 CG MET B 3 31.549 4.528 -27.929 1.00 44.59 C ATOM 1157 SD MET B 3 30.730 6.059 -28.416 1.00 37.50 S ATOM 1158 CE MET B 3 31.622 7.274 -27.448 1.00 36.59 C ATOM 1159 HN3 MET B 3 33.514 2.252 -30.617 1.00 0.00 H ATOM 1160 HN2 MET B 3 34.344 1.479 -29.352 1.00 0.00 H ATOM 1161 HN1 MET B 3 34.332 3.175 -29.449 1.00 0.00 H ATOM 1162 N LYS B 4 31.456 0.387 -27.922 1.00 36.19 N ATOM 1163 CA LYS B 4 30.761 -0.884 -28.014 1.00 30.39 C ATOM 1164 C LYS B 4 30.007 -1.125 -26.719 1.00 22.38 C ATOM 1165 O LYS B 4 30.395 -0.641 -25.652 1.00 24.73 O ATOM 1166 CB LYS B 4 31.736 -2.034 -28.299 1.00 34.26 C ATOM 1167 CG LYS B 4 31.082 -3.343 -28.709 1.00 39.50 C ATOM 1168 CD LYS B 4 32.138 -4.400 -28.988 1.00 41.32 C ATOM 1169 CE LYS B 4 31.530 -5.788 -29.047 1.00 42.52 C ATOM 1170 NZ LYS B 4 32.588 -6.830 -29.061 1.00 41.64 N ATOM 1171 HZ1 LYS B 4 33.195 -6.695 -29.894 1.00 0.00 H ATOM 1172 HZ2 LYS B 4 33.161 -6.752 -28.197 1.00 0.00 H ATOM 1173 HZ3 LYS B 4 32.146 -7.771 -29.102 1.00 0.00 H ATOM 1174 H LYS B 4 31.744 0.747 -26.990 1.00 0.00 H ATOM 1175 N SER B 5 28.908 -1.862 -26.837 1.00 21.27 N ATOM 1176 CA SER B 5 28.100 -2.222 -25.689 1.00 17.77 C ATOM 1177 C SER B 5 28.958 -2.857 -24.601 1.00 14.27 C ATOM 1178 O SER B 5 29.855 -3.660 -24.877 1.00 15.57 O ATOM 1179 CB SER B 5 26.993 -3.177 -26.146 1.00 17.63 C ATOM 1180 OG SER B 5 26.633 -4.106 -25.151 1.00 15.75 O ATOM 1181 HG SER B 5 26.306 -3.622 -24.352 1.00 0.00 H ATOM 1182 H SER B 5 28.619 -2.190 -27.781 1.00 0.00 H ATOM 1183 N PHE B 6 28.683 -2.466 -23.358 1.00 13.16 N ATOM 1184 CA PHE B 6 29.389 -3.024 -22.211 1.00 12.80 C ATOM 1185 C PHE B 6 29.225 -4.538 -22.141 1.00 15.27 C ATOM 1186 O PHE B 6 30.201 -5.270 -21.970 1.00 15.45 O ATOM 1187 CB PHE B 6 28.875 -2.362 -20.933 1.00 11.52 C ATOM 1188 CG PHE B 6 29.417 -2.960 -19.673 1.00 12.81 C ATOM 1189 CD1 PHE B 6 30.586 -2.469 -19.111 1.00 16.32 C ATOM 1190 CD2 PHE B 6 28.744 -3.994 -19.034 1.00 14.04 C ATOM 1191 CE1 PHE B 6 31.092 -3.020 -17.952 1.00 17.97 C ATOM 1192 CE2 PHE B 6 29.255 -4.556 -17.866 1.00 19.24 C ATOM 1193 CZ PHE B 6 30.429 -4.053 -17.329 1.00 20.75 C ATOM 1194 H PHE B 6 27.948 -1.747 -23.202 1.00 0.00 H ATOM 1195 N PHE B 7 27.988 -5.031 -22.255 1.00 12.09 N ATOM 1196 CA PHE B 7 27.780 -6.475 -22.161 1.00 12.04 C ATOM 1197 C PHE B 7 28.233 -7.211 -23.417 1.00 15.18 C ATOM 1198 O PHE B 7 28.645 -8.373 -23.331 1.00 14.41 O ATOM 1199 CB PHE B 7 26.319 -6.764 -21.841 1.00 10.96 C ATOM 1200 CG PHE B 7 25.916 -6.296 -20.484 1.00 10.78 C ATOM 1201 CD1 PHE B 7 26.457 -6.892 -19.353 1.00 13.99 C ATOM 1202 CD2 PHE B 7 25.001 -5.257 -20.330 1.00 9.75 C ATOM 1203 CE1 PHE B 7 26.107 -6.452 -18.087 1.00 12.87 C ATOM 1204 CE2 PHE B 7 24.638 -4.815 -19.065 1.00 10.37 C ATOM 1205 CZ PHE B 7 25.189 -5.424 -17.940 1.00 10.83 C ATOM 1206 H PHE B 7 27.181 -4.393 -22.409 1.00 0.00 H ATOM 1207 N ASP B 8 28.192 -6.561 -24.578 1.00 15.02 N ATOM 1208 CA ASP B 8 28.743 -7.181 -25.783 1.00 15.36 C ATOM 1209 C ASP B 8 30.238 -7.429 -25.641 1.00 17.17 C ATOM 1210 O ASP B 8 30.745 -8.475 -26.066 1.00 19.04 O ATOM 1211 CB ASP B 8 28.463 -6.303 -27.003 1.00 15.98 C ATOM 1212 CG ASP B 8 27.075 -6.512 -27.568 1.00 19.34 C ATOM 1213 OD1 ASP B 8 26.312 -7.316 -26.998 1.00 22.92 O ATOM 1214 OD2 ASP B 8 26.755 -5.875 -28.597 1.00 28.84 O ATOM 1215 H ASP B 8 27.768 -5.613 -24.628 1.00 0.00 H ATOM 1216 N LYS B 9 30.964 -6.465 -25.068 1.00 16.21 N ATOM 1217 CA LYS B 9 32.388 -6.655 -24.839 1.00 17.57 C ATOM 1218 C LYS B 9 32.634 -7.845 -23.921 1.00 16.67 C ATOM 1219 O LYS B 9 33.519 -8.664 -24.184 1.00 18.49 O ATOM 1220 CB LYS B 9 33.005 -5.376 -24.264 1.00 18.61 C ATOM 1221 CG LYS B 9 33.134 -4.255 -25.287 1.00 20.23 C ATOM 1222 CD LYS B 9 33.753 -2.984 -24.692 1.00 25.06 C ATOM 1223 H LYS B 9 30.509 -5.574 -24.784 1.00 0.00 H ATOM 1224 N LYS B 10 31.845 -7.976 -22.849 1.00 16.82 N ATOM 1225 CA LYS B 10 32.012 -9.130 -21.969 1.00 15.74 C ATOM 1226 C LYS B 10 31.772 -10.433 -22.720 1.00 18.34 C ATOM 1227 O LYS B 10 32.546 -11.393 -22.587 1.00 18.68 O ATOM 1228 CB LYS B 10 31.054 -9.036 -20.782 1.00 16.24 C ATOM 1229 CG LYS B 10 31.276 -7.831 -19.889 1.00 17.92 C ATOM 1230 CD LYS B 10 32.532 -7.979 -19.073 1.00 21.16 C ATOM 1231 CE LYS B 10 32.643 -6.857 -18.053 1.00 16.78 C ATOM 1232 NZ LYS B 10 33.865 -7.053 -17.231 1.00 23.09 N ATOM 1233 HZ1 LYS B 10 33.806 -7.966 -16.737 1.00 0.00 H ATOM 1234 HZ2 LYS B 10 34.702 -7.045 -17.849 1.00 0.00 H ATOM 1235 HZ3 LYS B 10 33.939 -6.285 -16.534 1.00 0.00 H ATOM 1236 H LYS B 10 31.118 -7.261 -22.643 1.00 0.00 H ATOM 1237 N ARG B 11 30.708 -10.475 -23.525 1.00 15.49 N ATOM 1238 CA ARG B 11 30.365 -11.693 -24.254 1.00 16.03 C ATOM 1239 C ARG B 11 31.421 -12.036 -25.294 1.00 19.19 C ATOM 1240 O ARG B 11 31.790 -13.206 -25.446 1.00 19.27 O ATOM 1241 CB ARG B 11 28.997 -11.528 -24.906 1.00 15.58 C ATOM 1242 CG ARG B 11 28.360 -12.822 -25.390 1.00 24.10 C ATOM 1243 CD ARG B 11 26.949 -12.559 -25.930 1.00 23.38 C ATOM 1244 NE ARG B 11 26.015 -12.146 -24.877 1.00 28.92 N ATOM 1245 CZ ARG B 11 25.613 -10.891 -24.678 1.00 24.54 C ATOM 1246 NH1 ARG B 11 26.064 -9.916 -25.457 1.00 23.02 N ATOM 1247 NH2 ARG B 11 24.758 -10.608 -23.702 1.00 23.48 N ATOM 1248 HE ARG B 11 25.642 -12.881 -24.244 1.00 0.00 H ATOM 1249 HH12 ARG B 11 25.749 -8.937 -25.300 1.00 0.00 H ATOM 1250 HH11 ARG B 11 26.732 -10.131 -26.224 1.00 0.00 H ATOM 1251 HH22 ARG B 11 24.447 -9.627 -23.551 1.00 0.00 H ATOM 1252 HH21 ARG B 11 24.399 -11.367 -23.089 1.00 0.00 H ATOM 1253 H ARG B 11 30.115 -9.628 -23.635 1.00 0.00 H ATOM 1254 N SER B 12 31.918 -11.033 -26.019 1.00 18.56 N ATOM 1255 CA SER B 12 32.952 -11.283 -27.016 1.00 19.75 C ATOM 1256 C SER B 12 34.244 -11.748 -26.364 1.00 20.28 C ATOM 1257 O SER B 12 34.915 -12.647 -26.882 1.00 23.04 O ATOM 1258 CB SER B 12 33.193 -10.021 -27.843 1.00 22.95 C ATOM 1259 OG SER B 12 32.054 -9.721 -28.630 1.00 31.97 O ATOM 1260 HG SER B 12 31.274 -9.575 -28.038 1.00 0.00 H ATOM 1261 H SER B 12 31.565 -10.066 -25.872 1.00 0.00 H ATOM 1262 N GLU B 13 34.614 -11.143 -25.231 1.00 19.86 N ATOM 1263 CA GLU B 13 35.808 -11.585 -24.512 1.00 20.99 C ATOM 1264 C GLU B 13 35.668 -13.034 -24.066 1.00 19.90 C ATOM 1265 O GLU B 13 36.616 -13.825 -24.177 1.00 20.87 O ATOM 1266 CB GLU B 13 36.058 -10.672 -23.308 1.00 23.23 C ATOM 1267 H GLU B 13 34.049 -10.353 -24.859 1.00 0.00 H ATOM 1268 N ARG B 14 34.476 -13.406 -23.583 1.00 20.56 N ATOM 1269 CA ARG B 14 34.233 -14.790 -23.189 1.00 18.64 C ATOM 1270 C ARG B 14 34.419 -15.744 -24.362 1.00 19.89 C ATOM 1271 O ARG B 14 35.046 -16.793 -24.212 1.00 20.53 O ATOM 1272 CB ARG B 14 32.829 -14.928 -22.604 1.00 19.44 C ATOM 1273 CG ARG B 14 32.749 -14.591 -21.123 1.00 19.46 C ATOM 1274 CD ARG B 14 31.329 -14.696 -20.609 1.00 20.15 C ATOM 1275 NE ARG B 14 30.711 -15.965 -20.987 1.00 24.61 N ATOM 1276 CZ ARG B 14 30.887 -17.106 -20.325 1.00 27.06 C ATOM 1277 NH1 ARG B 14 31.656 -17.141 -19.249 1.00 27.75 N ATOM 1278 NH2 ARG B 14 30.298 -18.211 -20.737 1.00 22.23 N ATOM 1279 HE ARG B 14 30.096 -15.977 -21.825 1.00 0.00 H ATOM 1280 HH12 ARG B 14 31.791 -18.035 -18.735 1.00 0.00 H ATOM 1281 HH11 ARG B 14 32.126 -16.275 -18.917 1.00 0.00 H ATOM 1282 HH22 ARG B 14 30.438 -19.100 -20.216 1.00 0.00 H ATOM 1283 HH21 ARG B 14 29.693 -18.193 -21.583 1.00 0.00 H ATOM 1284 H ARG B 14 33.716 -12.702 -23.488 1.00 0.00 H ATOM 1285 N ILE B 15 33.888 -15.396 -25.537 1.00 20.62 N ATOM 1286 CA ILE B 15 33.980 -16.294 -26.690 1.00 21.44 C ATOM 1287 C ILE B 15 35.428 -16.466 -27.117 1.00 23.95 C ATOM 1288 O ILE B 15 35.859 -17.568 -27.495 1.00 25.75 O ATOM 1289 CB ILE B 15 33.101 -15.782 -27.847 1.00 21.53 C ATOM 1290 CG1 ILE B 15 31.619 -15.903 -27.488 1.00 27.01 C ATOM 1291 CG2 ILE B 15 33.407 -16.556 -29.140 1.00 23.69 C ATOM 1292 CD1 ILE B 15 30.690 -15.128 -28.409 1.00 36.95 C ATOM 1293 H ILE B 15 33.405 -14.480 -25.634 1.00 0.00 H ATOM 1294 N SER B 16 36.214 -15.387 -27.066 1.00 30.17 N ATOM 1295 CA SER B 16 37.632 -15.486 -27.386 1.00 35.16 C ATOM 1296 C SER B 16 38.366 -16.429 -26.443 1.00 35.77 C ATOM 1297 O SER B 16 39.434 -16.939 -26.799 1.00 36.96 O ATOM 1298 CB SER B 16 38.280 -14.100 -27.347 1.00 39.69 C ATOM 1299 OG SER B 16 38.438 -13.649 -26.013 1.00 39.62 O ATOM 1300 HG SER B 16 37.551 -13.597 -25.576 1.00 0.00 H ATOM 1301 H SER B 16 35.810 -14.468 -26.795 1.00 0.00 H ATOM 1302 N ASN B 17 37.819 -16.675 -25.254 1.00 30.65 N ATOM 1303 CA ASN B 17 38.412 -17.589 -24.289 1.00 32.63 C ATOM 1304 C ASN B 17 37.706 -18.938 -24.250 1.00 31.88 C ATOM 1305 O ASN B 17 37.946 -19.729 -23.331 1.00 35.58 O ATOM 1306 CB ASN B 17 38.416 -16.954 -22.898 1.00 37.50 C ATOM 1307 CG ASN B 17 39.416 -15.823 -22.782 1.00 45.87 C ATOM 1308 OD1 ASN B 17 40.536 -15.918 -23.285 1.00 46.91 O ATOM 1309 ND2 ASN B 17 39.014 -14.741 -22.126 1.00 46.72 N ATOM 1310 HD22 ASN B 17 38.058 -14.706 -21.718 1.00 0.00 H ATOM 1311 HD21 ASN B 17 39.655 -13.929 -22.021 1.00 0.00 H ATOM 1312 H ASN B 17 36.931 -16.194 -25.005 1.00 0.00 H ATOM 1313 N GLY B 18 36.845 -19.220 -25.223 1.00 21.50 N ATOM 1314 CA GLY B 18 36.209 -20.519 -25.312 1.00 20.16 C ATOM 1315 C GLY B 18 34.911 -20.650 -24.556 1.00 20.38 C ATOM 1316 O GLY B 18 34.447 -21.775 -24.344 1.00 19.08 O ATOM 1317 H GLY B 18 36.624 -18.494 -25.934 1.00 0.00 H ATOM 1318 N GLY B 19 34.308 -19.539 -24.141 1.00 18.67 N ATOM 1319 CA GLY B 19 33.072 -19.589 -23.395 1.00 16.42 C ATOM 1320 C GLY B 19 31.896 -19.120 -24.223 1.00 13.64 C ATOM 1321 O GLY B 19 31.885 -17.996 -24.737 1.00 18.71 O ATOM 1322 H GLY B 19 34.735 -18.616 -24.358 1.00 0.00 H ATOM 1323 N PHE B 20 30.904 -19.979 -24.363 1.00 13.15 N ATOM 1324 CA PHE B 20 29.698 -19.679 -25.121 1.00 10.81 C ATOM 1325 C PHE B 20 28.524 -19.578 -24.147 1.00 12.30 C ATOM 1326 O PHE B 20 28.677 -19.741 -22.931 1.00 13.41 O ATOM 1327 CB PHE B 20 29.494 -20.741 -26.209 1.00 11.08 C ATOM 1328 CG PHE B 20 30.536 -20.687 -27.295 1.00 11.47 C ATOM 1329 CD1 PHE B 20 31.761 -21.331 -27.145 1.00 12.68 C ATOM 1330 CD2 PHE B 20 30.291 -19.975 -28.467 1.00 12.12 C ATOM 1331 CE1 PHE B 20 32.732 -21.264 -28.149 1.00 14.42 C ATOM 1332 CE2 PHE B 20 31.251 -19.895 -29.464 1.00 12.55 C ATOM 1333 CZ PHE B 20 32.467 -20.554 -29.311 1.00 14.95 C ATOM 1334 H PHE B 20 30.988 -20.912 -23.912 1.00 0.00 H ATOM 1335 N ARG B 21 27.342 -19.307 -24.684 1.00 11.11 N ATOM 1336 CA ARG B 21 26.186 -19.005 -23.842 1.00 12.48 C ATOM 1337 C ARG B 21 25.882 -20.154 -22.883 1.00 13.08 C ATOM 1338 O ARG B 21 25.780 -21.309 -23.320 1.00 11.95 O ATOM 1339 CB ARG B 21 24.966 -18.746 -24.730 1.00 17.23 C ATOM 1340 CG ARG B 21 23.664 -18.574 -23.970 1.00 21.47 C ATOM 1341 CD ARG B 21 22.580 -17.958 -24.846 1.00 27.85 C ATOM 1342 NE ARG B 21 22.075 -18.861 -25.881 1.00 26.91 N ATOM 1343 CZ ARG B 21 20.912 -19.507 -25.813 1.00 26.76 C ATOM 1344 NH1 ARG B 21 20.136 -19.364 -24.741 1.00 32.72 N ATOM 1345 NH2 ARG B 21 20.521 -20.296 -26.815 1.00 26.18 N ATOM 1346 HE ARG B 21 22.663 -19.008 -26.726 1.00 0.00 H ATOM 1347 HH12 ARG B 21 19.228 -19.867 -24.686 1.00 0.00 H ATOM 1348 HH11 ARG B 21 20.438 -18.749 -23.959 1.00 0.00 H ATOM 1349 HH22 ARG B 21 19.612 -20.798 -26.757 1.00 0.00 H ATOM 1350 HH21 ARG B 21 21.125 -20.409 -27.654 1.00 0.00 H ATOM 1351 H ARG B 21 27.236 -19.309 -25.719 1.00 0.00 H ATOM 1352 N PRO B 22 25.736 -19.889 -21.588 1.00 10.19 N ATOM 1353 CA PRO B 22 25.240 -20.924 -20.671 1.00 12.24 C ATOM 1354 C PRO B 22 23.828 -21.345 -21.037 1.00 11.59 C ATOM 1355 O PRO B 22 23.058 -20.575 -21.604 1.00 14.28 O ATOM 1356 CB PRO B 22 25.262 -20.231 -19.301 1.00 15.92 C ATOM 1357 CG PRO B 22 26.188 -19.065 -19.447 1.00 13.49 C ATOM 1358 CD PRO B 22 26.061 -18.632 -20.894 1.00 11.17 C ATOM 1359 N ALA B 23 23.478 -22.583 -20.689 1.00 15.01 N ATOM 1360 CA ALA B 23 22.107 -23.025 -20.922 1.00 11.35 C ATOM 1361 C ALA B 23 21.123 -22.262 -20.037 1.00 18.70 C ATOM 1362 O ALA B 23 20.021 -21.921 -20.481 1.00 21.31 O ATOM 1363 CB ALA B 23 22.000 -24.535 -20.695 1.00 15.64 C ATOM 1364 H ALA B 23 24.173 -23.225 -20.257 1.00 0.00 H ATOM 1365 N ALA B 24 21.519 -21.930 -18.834 1.00 13.30 N ATOM 1366 CA ALA B 24 20.646 -21.259 -17.882 1.00 15.03 C ATOM 1367 C ALA B 24 20.553 -19.763 -18.187 1.00 13.72 C ATOM 1368 O ALA B 24 21.487 -19.191 -18.755 1.00 12.64 O ATOM 1369 CB ALA B 24 21.179 -21.455 -16.469 1.00 18.50 C ATOM 1370 H ALA B 24 22.493 -22.154 -18.548 1.00 0.00 H ATOM 1371 N PRO B 25 19.444 -19.112 -17.813 1.00 11.19 N ATOM 1372 CA PRO B 25 19.353 -17.652 -17.960 1.00 10.11 C ATOM 1373 C PRO B 25 20.590 -16.977 -17.396 1.00 9.33 C ATOM 1374 O PRO B 25 21.061 -17.305 -16.304 1.00 11.65 O ATOM 1375 CB PRO B 25 18.099 -17.292 -17.158 1.00 12.19 C ATOM 1376 CG PRO B 25 17.240 -18.510 -17.296 1.00 12.46 C ATOM 1377 CD PRO B 25 18.199 -19.682 -17.268 1.00 11.80 C ATOM 1378 N ASN B 26 21.135 -16.037 -18.160 1.00 8.19 N ATOM 1379 CA ASN B 26 22.415 -15.454 -17.807 1.00 9.31 C ATOM 1380 C ASN B 26 22.507 -14.055 -18.382 1.00 9.42 C ATOM 1381 O ASN B 26 21.857 -13.732 -19.379 1.00 9.36 O ATOM 1382 CB ASN B 26 23.569 -16.312 -18.334 1.00 10.11 C ATOM 1383 CG ASN B 26 23.638 -16.318 -19.842 1.00 11.18 C ATOM 1384 OD1 ASN B 26 24.349 -15.516 -20.432 1.00 11.31 O ATOM 1385 ND2 ASN B 26 22.893 -17.228 -20.480 1.00 14.23 N ATOM 1386 HD22 ASN B 26 22.303 -17.890 -19.937 1.00 0.00 H ATOM 1387 HD21 ASN B 26 22.904 -17.273 -21.519 1.00 0.00 H ATOM 1388 H ASN B 26 20.640 -15.717 -19.017 1.00 0.00 H ATOM 1389 N LEU B 27 23.346 -13.242 -17.760 1.00 8.06 N ATOM 1390 CA LEU B 27 23.655 -11.901 -18.241 1.00 8.15 C ATOM 1391 C LEU B 27 25.108 -11.946 -18.710 1.00 9.66 C ATOM 1392 O LEU B 27 26.027 -11.980 -17.892 1.00 10.29 O ATOM 1393 CB LEU B 27 23.425 -10.868 -17.143 1.00 9.09 C ATOM 1394 CG LEU B 27 23.759 -9.427 -17.519 1.00 9.92 C ATOM 1395 CD1 LEU B 27 22.883 -8.961 -18.658 1.00 11.21 C ATOM 1396 CD2 LEU B 27 23.575 -8.532 -16.319 1.00 12.64 C ATOM 1397 H LEU B 27 23.806 -13.575 -16.889 1.00 0.00 H ATOM 1398 N ALA B 28 25.303 -11.990 -20.028 1.00 10.54 N ATOM 1399 CA ALA B 28 26.635 -12.051 -20.637 1.00 10.40 C ATOM 1400 C ALA B 28 27.497 -13.146 -20.012 1.00 11.38 C ATOM 1401 O ALA B 28 28.697 -12.969 -19.791 1.00 14.49 O ATOM 1402 CB ALA B 28 27.336 -10.700 -20.541 1.00 12.00 C ATOM 1403 H ALA B 28 24.472 -11.981 -20.653 1.00 0.00 H ATOM 1404 N GLY B 29 26.878 -14.285 -19.723 1.00 10.43 N ATOM 1405 CA GLY B 29 27.565 -15.444 -19.209 1.00 10.99 C ATOM 1406 C GLY B 29 27.465 -15.620 -17.708 1.00 11.89 C ATOM 1407 O GLY B 29 27.716 -16.725 -17.209 1.00 16.23 O ATOM 1408 H GLY B 29 25.851 -14.344 -19.874 1.00 0.00 H ATOM 1409 N ALA B 30 27.098 -14.575 -16.977 1.00 10.05 N ATOM 1410 CA ALA B 30 26.956 -14.680 -15.526 1.00 8.92 C ATOM 1411 C ALA B 30 25.633 -15.355 -15.186 1.00 9.64 C ATOM 1412 O ALA B 30 24.567 -14.886 -15.607 1.00 9.69 O ATOM 1413 CB ALA B 30 27.032 -13.298 -14.879 1.00 10.37 C ATOM 1414 H ALA B 30 26.908 -13.666 -17.445 1.00 0.00 H ATOM 1415 N VAL B 31 25.695 -16.448 -14.419 1.00 11.78 N ATOM 1416 CA VAL B 31 24.510 -17.220 -14.037 1.00 12.15 C ATOM 1417 C VAL B 31 24.212 -17.076 -12.546 1.00 11.81 C ATOM 1418 O VAL B 31 23.105 -16.691 -12.157 1.00 12.37 O ATOM 1419 CB VAL B 31 24.674 -18.706 -14.428 1.00 15.25 C ATOM 1420 CG1 VAL B 31 23.495 -19.520 -13.902 1.00 13.16 C ATOM 1421 CG2 VAL B 31 24.789 -18.850 -15.940 1.00 13.65 C ATOM 1422 H VAL B 31 26.625 -16.764 -14.078 1.00 0.00 H ATOM 1423 N GLU B 32 25.168 -17.415 -11.699 1.00 15.06 N ATOM 1424 CA GLU B 32 24.955 -17.297 -10.268 1.00 14.86 C ATOM 1425 C GLU B 32 24.761 -15.836 -9.888 1.00 11.41 C ATOM 1426 O GLU B 32 25.394 -14.941 -10.456 1.00 13.36 O ATOM 1427 CB GLU B 32 26.144 -17.889 -9.523 1.00 15.21 C ATOM 1428 CG GLU B 32 26.232 -19.409 -9.607 1.00 17.23 C ATOM 1429 CD GLU B 32 24.910 -20.099 -9.317 1.00 29.26 C ATOM 1430 OE1 GLU B 32 24.413 -20.840 -10.192 1.00 35.87 O ATOM 1431 OE2 GLU B 32 24.363 -19.896 -8.213 1.00 34.45 O ATOM 1432 H GLU B 32 26.077 -17.768 -12.059 1.00 0.00 H ATOM 1433 N PHE B 33 23.863 -15.595 -8.928 1.00 14.32 N ATOM 1434 CA PHE B 33 23.614 -14.228 -8.483 1.00 11.92 C ATOM 1435 C PHE B 33 24.906 -13.523 -8.077 1.00 13.90 C ATOM 1436 O PHE B 33 25.077 -12.330 -8.355 1.00 13.43 O ATOM 1437 CB PHE B 33 22.609 -14.222 -7.334 1.00 15.79 C ATOM 1438 CG PHE B 33 22.192 -12.839 -6.903 1.00 12.53 C ATOM 1439 CD1 PHE B 33 21.644 -11.945 -7.809 1.00 13.72 C ATOM 1440 CD2 PHE B 33 22.361 -12.434 -5.589 1.00 14.70 C ATOM 1441 CE1 PHE B 33 21.268 -10.670 -7.397 1.00 13.40 C ATOM 1442 CE2 PHE B 33 21.981 -11.172 -5.179 1.00 15.53 C ATOM 1443 CZ PHE B 33 21.437 -10.288 -6.087 1.00 14.67 C ATOM 1444 H PHE B 33 23.340 -16.384 -8.497 1.00 0.00 H ATOM 1445 N SER B 34 25.845 -14.246 -7.450 1.00 13.39 N ATOM 1446 CA SER B 34 27.112 -13.625 -7.066 1.00 13.30 C ATOM 1447 C SER B 34 27.839 -13.046 -8.274 1.00 14.70 C ATOM 1448 O SER B 34 28.392 -11.940 -8.206 1.00 17.50 O ATOM 1449 CB SER B 34 27.998 -14.634 -6.330 1.00 18.10 C ATOM 1450 OG SER B 34 28.318 -15.736 -7.163 1.00 21.84 O ATOM 1451 HG SER B 34 28.890 -16.371 -6.663 1.00 0.00 H ATOM 1452 H SER B 34 25.672 -15.249 -7.237 1.00 0.00 H ATOM 1453 N ASP B 35 27.819 -13.753 -9.405 1.00 14.89 N ATOM 1454 CA ASP B 35 28.500 -13.236 -10.586 1.00 14.79 C ATOM 1455 C ASP B 35 27.685 -12.142 -11.273 1.00 10.31 C ATOM 1456 O ASP B 35 28.260 -11.190 -11.811 1.00 13.98 O ATOM 1457 CB ASP B 35 28.794 -14.375 -11.563 1.00 15.88 C ATOM 1458 CG ASP B 35 29.723 -15.415 -10.975 1.00 20.59 C ATOM 1459 OD1 ASP B 35 30.730 -15.020 -10.352 1.00 23.07 O ATOM 1460 OD2 ASP B 35 29.438 -16.628 -11.123 1.00 21.52 O ATOM 1461 H ASP B 35 27.322 -14.666 -9.444 1.00 0.00 H ATOM 1462 N VAL B 36 26.355 -12.274 -11.276 1.00 9.12 N ATOM 1463 CA VAL B 36 25.488 -11.238 -11.842 1.00 10.12 C ATOM 1464 C VAL B 36 25.664 -9.919 -11.093 1.00 10.40 C ATOM 1465 O VAL B 36 25.737 -8.845 -11.707 1.00 10.16 O ATOM 1466 CB VAL B 36 24.020 -11.714 -11.827 1.00 9.02 C ATOM 1467 CG1 VAL B 36 23.087 -10.614 -12.273 1.00 10.01 C ATOM 1468 CG2 VAL B 36 23.839 -12.946 -12.745 1.00 11.81 C ATOM 1469 H VAL B 36 25.927 -13.130 -10.868 1.00 0.00 H ATOM 1470 N LYS B 37 25.714 -9.983 -9.759 1.00 12.31 N ATOM 1471 CA LYS B 37 25.961 -8.792 -8.946 1.00 11.62 C ATOM 1472 C LYS B 37 27.247 -8.099 -9.358 1.00 11.55 C ATOM 1473 O LYS B 37 27.276 -6.873 -9.533 1.00 13.89 O ATOM 1474 CB LYS B 37 26.055 -9.173 -7.470 1.00 16.27 C ATOM 1475 CG LYS B 37 24.737 -9.363 -6.791 1.00 15.37 C ATOM 1476 CD LYS B 37 24.950 -9.523 -5.298 1.00 14.97 C ATOM 1477 CE LYS B 37 25.766 -10.762 -4.956 1.00 15.23 C ATOM 1478 NZ LYS B 37 25.992 -10.861 -3.462 1.00 20.42 N ATOM 1479 HZ1 LYS B 37 26.506 -10.019 -3.134 1.00 0.00 H ATOM 1480 HZ2 LYS B 37 25.074 -10.919 -2.977 1.00 0.00 H ATOM 1481 HZ3 LYS B 37 26.550 -11.713 -3.253 1.00 0.00 H ATOM 1482 H LYS B 37 25.574 -10.900 -9.288 1.00 0.00 H ATOM 1483 N THR B 38 28.334 -8.867 -9.467 1.00 13.43 N ATOM 1484 CA THR B 38 29.637 -8.288 -9.765 1.00 14.14 C ATOM 1485 C THR B 38 29.608 -7.573 -11.106 1.00 14.05 C ATOM 1486 O THR B 38 30.131 -6.463 -11.238 1.00 15.39 O ATOM 1487 CB THR B 38 30.709 -9.382 -9.749 1.00 17.89 C ATOM 1488 OG1 THR B 38 30.859 -9.887 -8.413 1.00 21.71 O ATOM 1489 CG2 THR B 38 32.052 -8.844 -10.234 1.00 16.92 C ATOM 1490 HG1 THR B 38 31.552 -10.594 -8.405 1.00 0.00 H ATOM 1491 H THR B 38 28.249 -9.895 -9.337 1.00 0.00 H ATOM 1492 N LEU B 39 28.964 -8.189 -12.098 1.00 13.47 N ATOM 1493 CA LEU B 39 28.842 -7.604 -13.425 1.00 14.72 C ATOM 1494 C LEU B 39 27.986 -6.345 -13.398 1.00 11.15 C ATOM 1495 O LEU B 39 28.361 -5.315 -13.973 1.00 13.77 O ATOM 1496 CB LEU B 39 28.245 -8.648 -14.372 1.00 16.11 C ATOM 1497 CG LEU B 39 28.387 -8.481 -15.873 1.00 19.01 C ATOM 1498 CD1 LEU B 39 29.849 -8.326 -16.269 1.00 20.63 C ATOM 1499 CD2 LEU B 39 27.743 -9.696 -16.549 1.00 17.86 C ATOM 1500 H LEU B 39 28.534 -9.119 -11.917 1.00 0.00 H ATOM 1501 N LEU B 40 26.819 -6.413 -12.743 1.00 11.72 N ATOM 1502 CA LEU B 40 25.940 -5.250 -12.675 1.00 9.93 C ATOM 1503 C LEU B 40 26.608 -4.095 -11.953 1.00 13.27 C ATOM 1504 O LEU B 40 26.441 -2.933 -12.345 1.00 13.14 O ATOM 1505 CB LEU B 40 24.624 -5.607 -11.979 1.00 11.73 C ATOM 1506 CG LEU B 40 23.637 -6.428 -12.807 1.00 9.28 C ATOM 1507 CD1 LEU B 40 22.537 -6.941 -11.884 1.00 10.80 C ATOM 1508 CD2 LEU B 40 23.064 -5.634 -13.996 1.00 10.78 C ATOM 1509 H LEU B 40 26.538 -7.301 -12.280 1.00 0.00 H ATOM 1510 N LYS B 41 27.346 -4.388 -10.878 1.00 12.08 N ATOM 1511 CA LYS B 41 28.046 -3.326 -10.159 1.00 13.40 C ATOM 1512 C LYS B 41 29.111 -2.676 -11.038 1.00 12.89 C ATOM 1513 O LYS B 41 29.252 -1.452 -11.036 1.00 15.18 O ATOM 1514 CB LYS B 41 28.659 -3.872 -8.868 1.00 13.18 C ATOM 1515 CG LYS B 41 29.258 -2.785 -7.970 1.00 16.04 C ATOM 1516 CD LYS B 41 29.696 -3.354 -6.641 1.00 24.28 C ATOM 1517 H LYS B 41 27.422 -5.373 -10.553 1.00 0.00 H ATOM 1518 N GLU B 42 29.873 -3.474 -11.795 1.00 14.90 N ATOM 1519 CA GLU B 42 30.862 -2.881 -12.691 1.00 12.45 C ATOM 1520 C GLU B 42 30.190 -1.979 -13.723 1.00 13.49 C ATOM 1521 O GLU B 42 30.637 -0.848 -13.959 1.00 14.13 O ATOM 1522 CB GLU B 42 31.689 -3.967 -13.376 1.00 14.73 C ATOM 1523 CG GLU B 42 32.801 -3.400 -14.260 1.00 16.76 C ATOM 1524 CD GLU B 42 33.509 -4.457 -15.101 1.00 17.85 C ATOM 1525 OE1 GLU B 42 33.210 -5.660 -14.959 1.00 25.41 O ATOM 1526 OE2 GLU B 42 34.386 -4.069 -15.910 1.00 28.94 O ATOM 1527 H GLU B 42 29.762 -4.507 -11.746 1.00 0.00 H ATOM 1528 N TRP B 43 29.077 -2.439 -14.301 1.00 13.77 N ATOM 1529 CA TRP B 43 28.359 -1.648 -15.297 1.00 13.32 C ATOM 1530 C TRP B 43 27.874 -0.328 -14.715 1.00 11.99 C ATOM 1531 O TRP B 43 28.170 0.751 -15.250 1.00 14.98 O ATOM 1532 CB TRP B 43 27.181 -2.463 -15.831 1.00 10.48 C ATOM 1533 CG TRP B 43 26.328 -1.783 -16.900 1.00 9.27 C ATOM 1534 CD1 TRP B 43 26.766 -1.088 -17.997 1.00 11.56 C ATOM 1535 CD2 TRP B 43 24.893 -1.779 -16.964 1.00 10.21 C ATOM 1536 NE1 TRP B 43 25.685 -0.644 -18.737 1.00 10.95 N ATOM 1537 CE2 TRP B 43 24.526 -1.051 -18.119 1.00 10.25 C ATOM 1538 CE3 TRP B 43 23.883 -2.307 -16.148 1.00 9.96 C ATOM 1539 CZ2 TRP B 43 23.179 -0.859 -18.486 1.00 8.96 C ATOM 1540 CZ3 TRP B 43 22.539 -2.099 -16.502 1.00 8.28 C ATOM 1541 CH2 TRP B 43 22.206 -1.387 -17.669 1.00 9.90 C ATOM 1542 HE1 TRP B 43 25.740 -0.092 -19.617 1.00 0.00 H ATOM 1543 H TRP B 43 28.715 -3.378 -14.037 1.00 0.00 H ATOM 1544 N ILE B 44 27.146 -0.392 -13.598 1.00 12.50 N ATOM 1545 CA ILE B 44 26.465 0.794 -13.081 1.00 11.07 C ATOM 1546 C ILE B 44 27.462 1.784 -12.486 1.00 15.33 C ATOM 1547 O ILE B 44 27.293 2.998 -12.634 1.00 18.93 O ATOM 1548 CB ILE B 44 25.375 0.384 -12.069 1.00 13.80 C ATOM 1549 CG1 ILE B 44 24.291 -0.458 -12.751 1.00 13.52 C ATOM 1550 CG2 ILE B 44 24.717 1.600 -11.444 1.00 14.85 C ATOM 1551 CD1 ILE B 44 23.478 -1.322 -11.789 1.00 15.33 C ATOM 1552 H ILE B 44 27.062 -1.296 -13.090 1.00 0.00 H ATOM 1553 N THR B 45 28.537 1.299 -11.854 1.00 14.88 N ATOM 1554 CA THR B 45 29.471 2.224 -11.219 1.00 17.14 C ATOM 1555 C THR B 45 30.464 2.850 -12.194 1.00 19.95 C ATOM 1556 O THR B 45 30.974 3.937 -11.903 1.00 26.36 O ATOM 1557 CB THR B 45 30.234 1.541 -10.071 1.00 20.75 C ATOM 1558 OG1 THR B 45 31.037 0.459 -10.564 1.00 25.44 O ATOM 1559 CG2 THR B 45 29.282 1.038 -9.020 1.00 21.41 C ATOM 1560 HG1 THR B 45 30.454 -0.210 -11.002 1.00 0.00 H ATOM 1561 H THR B 45 28.705 0.273 -11.816 1.00 0.00 H ATOM 1562 N THR B 46 30.757 2.215 -13.334 1.00 18.29 N ATOM 1563 CA THR B 46 31.764 2.758 -14.248 1.00 16.37 C ATOM 1564 C THR B 46 31.183 3.511 -15.439 1.00 17.06 C ATOM 1565 O THR B 46 31.909 4.282 -16.078 1.00 20.13 O ATOM 1566 CB THR B 46 32.681 1.645 -14.780 1.00 19.55 C ATOM 1567 OG1 THR B 46 31.923 0.703 -15.554 1.00 20.44 O ATOM 1568 CG2 THR B 46 33.397 0.938 -13.629 1.00 22.27 C ATOM 1569 HG1 THR B 46 31.221 0.300 -14.985 1.00 0.00 H ATOM 1570 H THR B 46 30.266 1.330 -13.573 1.00 0.00 H ATOM 1571 N ILE B 47 29.913 3.307 -15.758 1.00 14.43 N ATOM 1572 CA ILE B 47 29.254 3.912 -16.910 1.00 17.08 C ATOM 1573 C ILE B 47 28.256 4.935 -16.389 1.00 16.45 C ATOM 1574 O ILE B 47 27.302 4.573 -15.688 1.00 21.20 O ATOM 1575 CB ILE B 47 28.532 2.856 -17.762 1.00 15.70 C ATOM 1576 CG1 ILE B 47 29.480 1.735 -18.229 1.00 15.96 C ATOM 1577 CG2 ILE B 47 27.799 3.521 -18.923 1.00 15.89 C ATOM 1578 CD1 ILE B 47 30.710 2.231 -18.946 1.00 23.32 C ATOM 1579 H ILE B 47 29.352 2.677 -15.150 1.00 0.00 H ATOM 1580 N SER B 48 28.457 6.207 -16.735 1.00 16.64 N ATOM 1581 CA SER B 48 27.563 7.259 -16.267 1.00 17.41 C ATOM 1582 C SER B 48 26.381 7.504 -17.191 1.00 19.51 C ATOM 1583 O SER B 48 25.405 8.133 -16.767 1.00 18.19 O ATOM 1584 CB SER B 48 28.325 8.577 -16.097 1.00 19.68 C ATOM 1585 OG SER B 48 28.759 9.066 -17.349 1.00 22.86 O ATOM 1586 HG SER B 48 29.358 8.401 -17.772 1.00 0.00 H ATOM 1587 H SER B 48 29.262 6.452 -17.347 1.00 0.00 H ATOM 1588 N ASP B 49 26.445 7.030 -18.433 1.00 14.57 N ATOM 1589 CA ASP B 49 25.404 7.259 -19.432 1.00 13.81 C ATOM 1590 C ASP B 49 25.150 5.912 -20.095 1.00 13.70 C ATOM 1591 O ASP B 49 25.738 5.603 -21.140 1.00 14.83 O ATOM 1592 CB ASP B 49 25.838 8.331 -20.438 1.00 16.21 C ATOM 1593 CG ASP B 49 24.683 8.883 -21.250 1.00 18.10 C ATOM 1594 OD1 ASP B 49 23.518 8.587 -20.927 1.00 21.00 O ATOM 1595 OD2 ASP B 49 24.951 9.627 -22.214 1.00 25.58 O ATOM 1596 H ASP B 49 27.277 6.469 -18.706 1.00 0.00 H ATOM 1597 N PRO B 50 24.277 5.078 -19.521 1.00 11.28 N ATOM 1598 CA PRO B 50 24.159 3.697 -20.012 1.00 9.23 C ATOM 1599 C PRO B 50 23.625 3.624 -21.435 1.00 10.54 C ATOM 1600 O PRO B 50 22.711 4.357 -21.824 1.00 9.95 O ATOM 1601 CB PRO B 50 23.186 3.044 -19.025 1.00 9.80 C ATOM 1602 CG PRO B 50 22.397 4.190 -18.446 1.00 12.27 C ATOM 1603 CD PRO B 50 23.397 5.323 -18.362 1.00 13.98 C ATOM 1604 N MET B 51 24.203 2.720 -22.210 1.00 9.82 N ATOM 1605 CA MET B 51 23.773 2.536 -23.583 1.00 8.41 C ATOM 1606 C MET B 51 22.468 1.756 -23.654 1.00 8.88 C ATOM 1607 O MET B 51 22.250 0.793 -22.903 1.00 7.81 O ATOM 1608 CB MET B 51 24.845 1.808 -24.384 1.00 10.05 C ATOM 1609 CG MET B 51 26.116 2.597 -24.537 1.00 12.69 C ATOM 1610 SD MET B 51 27.428 1.528 -25.135 1.00 14.51 S ATOM 1611 CE MET B 51 28.695 2.745 -25.491 1.00 18.98 C ATOM 1612 H MET B 51 24.974 2.135 -21.830 1.00 0.00 H ATOM 1613 N GLU B 52 21.623 2.150 -24.610 1.00 9.58 N ATOM 1614 CA GLU B 52 20.362 1.457 -24.837 1.00 8.11 C ATOM 1615 C GLU B 52 20.566 -0.038 -25.033 1.00 6.93 C ATOM 1616 O GLU B 52 19.804 -0.848 -24.502 1.00 8.50 O ATOM 1617 CB GLU B 52 19.656 2.054 -26.050 1.00 9.93 C ATOM 1618 CG GLU B 52 18.248 1.552 -26.213 1.00 12.81 C ATOM 1619 CD GLU B 52 17.567 2.168 -27.401 1.00 19.29 C ATOM 1620 OE1 GLU B 52 17.355 3.396 -27.374 1.00 20.04 O ATOM 1621 OE2 GLU B 52 17.258 1.428 -28.363 1.00 22.99 O ATOM 1622 H GLU B 52 21.870 2.967 -25.204 1.00 0.00 H ATOM 1623 N GLU B 53 21.597 -0.406 -25.798 1.00 8.05 N ATOM 1624 CA GLU B 53 21.856 -1.812 -26.088 1.00 8.90 C ATOM 1625 C GLU B 53 22.084 -2.609 -24.809 1.00 7.48 C ATOM 1626 O GLU B 53 21.657 -3.766 -24.705 1.00 9.92 O ATOM 1627 CB GLU B 53 23.063 -1.921 -27.024 1.00 9.69 C ATOM 1628 CG GLU B 53 22.800 -1.430 -28.452 1.00 11.56 C ATOM 1629 CD GLU B 53 23.015 0.086 -28.677 1.00 8.51 C ATOM 1630 OE1 GLU B 53 23.042 0.484 -29.871 1.00 14.92 O ATOM 1631 OE2 GLU B 53 23.133 0.893 -27.711 1.00 7.39 O ATOM 1632 H GLU B 53 22.226 0.322 -26.194 1.00 0.00 H ATOM 1633 N ASP B 54 22.734 -1.999 -23.815 1.00 8.59 N ATOM 1634 CA ASP B 54 22.975 -2.686 -22.549 1.00 7.78 C ATOM 1635 C ASP B 54 21.718 -2.741 -21.692 1.00 6.26 C ATOM 1636 O ASP B 54 21.402 -3.787 -21.105 1.00 7.35 O ATOM 1637 CB ASP B 54 24.123 -2.002 -21.817 1.00 7.66 C ATOM 1638 CG ASP B 54 25.435 -2.213 -22.528 1.00 10.42 C ATOM 1639 OD1 ASP B 54 25.677 -3.378 -22.918 1.00 10.23 O ATOM 1640 OD2 ASP B 54 26.182 -1.234 -22.735 1.00 10.71 O ATOM 1641 H ASP B 54 23.072 -1.024 -23.944 1.00 0.00 H ATOM 1642 N ILE B 55 20.972 -1.641 -21.632 1.00 7.17 N ATOM 1643 CA ILE B 55 19.681 -1.665 -20.944 1.00 7.32 C ATOM 1644 C ILE B 55 18.784 -2.767 -21.512 1.00 8.38 C ATOM 1645 O ILE B 55 18.156 -3.518 -20.757 1.00 7.17 O ATOM 1646 CB ILE B 55 19.025 -0.274 -21.029 1.00 6.09 C ATOM 1647 CG1 ILE B 55 19.820 0.719 -20.183 1.00 8.81 C ATOM 1648 CG2 ILE B 55 17.566 -0.350 -20.583 1.00 9.51 C ATOM 1649 CD1 ILE B 55 19.481 2.176 -20.495 1.00 10.47 C ATOM 1650 H ILE B 55 21.307 -0.762 -22.075 1.00 0.00 H ATOM 1651 N LEU B 56 18.733 -2.910 -22.846 1.00 7.28 N ATOM 1652 CA LEU B 56 17.878 -3.939 -23.433 1.00 5.67 C ATOM 1653 C LEU B 56 18.404 -5.345 -23.159 1.00 5.80 C ATOM 1654 O LEU B 56 17.603 -6.275 -23.014 1.00 7.64 O ATOM 1655 CB LEU B 56 17.720 -3.696 -24.931 1.00 8.26 C ATOM 1656 CG LEU B 56 16.932 -2.421 -25.256 1.00 9.88 C ATOM 1657 CD1 LEU B 56 16.892 -2.207 -26.762 1.00 11.23 C ATOM 1658 CD2 LEU B 56 15.527 -2.509 -24.698 1.00 11.14 C ATOM 1659 H LEU B 56 19.300 -2.290 -23.459 1.00 0.00 H ATOM 1660 N GLN B 57 19.728 -5.535 -23.063 1.00 7.09 N ATOM 1661 CA GLN B 57 20.216 -6.859 -22.673 1.00 6.42 C ATOM 1662 C GLN B 57 19.826 -7.199 -21.236 1.00 7.74 C ATOM 1663 O GLN B 57 19.588 -8.368 -20.920 1.00 8.43 O ATOM 1664 CB GLN B 57 21.729 -6.942 -22.878 1.00 9.36 C ATOM 1665 CG GLN B 57 22.118 -7.011 -24.355 1.00 11.44 C ATOM 1666 CD GLN B 57 23.604 -7.038 -24.567 1.00 15.38 C ATOM 1667 OE1 GLN B 57 24.271 -7.987 -24.180 1.00 19.48 O ATOM 1668 NE2 GLN B 57 24.134 -5.988 -25.188 1.00 18.17 N ATOM 1669 HE22 GLN B 57 23.524 -5.205 -25.498 1.00 0.00 H ATOM 1670 HE21 GLN B 57 25.158 -5.950 -25.363 1.00 0.00 H ATOM 1671 H GLN B 57 20.393 -4.760 -23.261 1.00 0.00 H ATOM 1672 N VAL B 58 19.743 -6.201 -20.352 1.00 6.67 N ATOM 1673 CA VAL B 58 19.288 -6.464 -18.993 1.00 6.78 C ATOM 1674 C VAL B 58 17.797 -6.779 -18.980 1.00 8.69 C ATOM 1675 O VAL B 58 17.352 -7.700 -18.281 1.00 7.85 O ATOM 1676 CB VAL B 58 19.653 -5.273 -18.095 1.00 6.87 C ATOM 1677 CG1 VAL B 58 18.947 -5.396 -16.768 1.00 9.69 C ATOM 1678 CG2 VAL B 58 21.175 -5.238 -17.903 1.00 10.46 C ATOM 1679 H VAL B 58 20.004 -5.235 -20.634 1.00 0.00 H ATOM 1680 N VAL B 59 17.003 -6.055 -19.773 1.00 7.05 N ATOM 1681 CA VAL B 59 15.586 -6.396 -19.884 1.00 6.92 C ATOM 1682 C VAL B 59 15.423 -7.828 -20.386 1.00 8.94 C ATOM 1683 O VAL B 59 14.614 -8.596 -19.860 1.00 7.90 O ATOM 1684 CB VAL B 59 14.866 -5.394 -20.804 1.00 7.59 C ATOM 1685 CG1 VAL B 59 13.471 -5.911 -21.152 1.00 8.92 C ATOM 1686 CG2 VAL B 59 14.768 -4.019 -20.159 1.00 8.86 C ATOM 1687 H VAL B 59 17.391 -5.253 -20.309 1.00 0.00 H ATOM 1688 N ARG B 60 16.207 -8.212 -21.399 1.00 8.08 N ATOM 1689 CA ARG B 60 16.124 -9.562 -21.945 1.00 8.03 C ATOM 1690 C ARG B 60 16.511 -10.608 -20.908 1.00 8.55 C ATOM 1691 O ARG B 60 15.895 -11.681 -20.835 1.00 9.17 O ATOM 1692 CB ARG B 60 17.026 -9.661 -23.181 1.00 9.67 C ATOM 1693 CG ARG B 60 16.950 -11.001 -23.934 1.00 13.07 C ATOM 1694 CD ARG B 60 15.564 -11.229 -24.527 1.00 13.65 C ATOM 1695 NE ARG B 60 14.818 -12.168 -23.703 1.00 16.19 N ATOM 1696 CZ ARG B 60 13.568 -12.568 -23.933 1.00 16.70 C ATOM 1697 NH1 ARG B 60 12.862 -12.069 -24.946 1.00 19.52 N ATOM 1698 NH2 ARG B 60 13.017 -13.458 -23.113 1.00 13.82 N ATOM 1699 HE ARG B 60 15.299 -12.558 -22.868 1.00 0.00 H ATOM 1700 HH12 ARG B 60 11.888 -12.393 -25.110 1.00 0.00 H ATOM 1701 HH11 ARG B 60 13.285 -11.355 -25.573 1.00 0.00 H ATOM 1702 HH22 ARG B 60 12.042 -13.782 -23.276 1.00 0.00 H ATOM 1703 HH21 ARG B 60 13.561 -13.830 -22.308 1.00 0.00 H ATOM 1704 H ARG B 60 16.887 -7.537 -21.804 1.00 0.00 H ATOM 1705 N TYR B 61 17.531 -10.320 -20.097 1.00 7.76 N ATOM 1706 CA TYR B 61 17.896 -11.238 -19.021 1.00 8.60 C ATOM 1707 C TYR B 61 16.746 -11.400 -18.031 1.00 7.42 C ATOM 1708 O TYR B 61 16.395 -12.523 -17.651 1.00 7.73 O ATOM 1709 CB TYR B 61 19.171 -10.735 -18.333 1.00 7.57 C ATOM 1710 CG TYR B 61 19.487 -11.446 -17.045 1.00 6.60 C ATOM 1711 CD1 TYR B 61 19.647 -12.824 -17.013 1.00 7.87 C ATOM 1712 CD2 TYR B 61 19.624 -10.745 -15.861 1.00 7.97 C ATOM 1713 CE1 TYR B 61 19.943 -13.485 -15.833 1.00 8.79 C ATOM 1714 CE2 TYR B 61 19.916 -11.394 -14.675 1.00 8.80 C ATOM 1715 CZ TYR B 61 20.075 -12.765 -14.670 1.00 7.56 C ATOM 1716 OH TYR B 61 20.360 -13.401 -13.486 1.00 10.49 O ATOM 1717 HH TYR B 61 20.443 -14.374 -13.647 1.00 0.00 H ATOM 1718 H TYR B 61 18.068 -9.439 -20.231 1.00 0.00 H ATOM 1719 N CYS B 62 16.128 -10.292 -17.622 1.00 7.22 N ATOM 1720 CA CYS B 62 15.011 -10.389 -16.686 1.00 8.42 C ATOM 1721 C CYS B 62 13.846 -11.161 -17.293 1.00 7.98 C ATOM 1722 O CYS B 62 13.170 -11.937 -16.602 1.00 8.49 O ATOM 1723 CB CYS B 62 14.560 -8.994 -16.263 1.00 7.82 C ATOM 1724 SG CYS B 62 15.723 -8.118 -15.214 1.00 9.21 S ATOM 1725 H CYS B 62 16.440 -9.362 -17.968 1.00 0.00 H ATOM 1726 N THR B 63 13.583 -10.979 -18.579 1.00 7.80 N ATOM 1727 CA THR B 63 12.473 -11.730 -19.148 1.00 8.01 C ATOM 1728 C THR B 63 12.836 -13.183 -19.423 1.00 9.09 C ATOM 1729 O THR B 63 11.937 -14.029 -19.484 1.00 11.20 O ATOM 1730 CB THR B 63 11.973 -11.043 -20.410 1.00 10.70 C ATOM 1731 OG1 THR B 63 13.012 -11.039 -21.392 1.00 8.51 O ATOM 1732 CG2 THR B 63 11.588 -9.619 -20.069 1.00 10.58 C ATOM 1733 HG1 THR B 63 13.797 -10.551 -21.038 1.00 0.00 H ATOM 1734 H THR B 63 14.147 -10.326 -19.159 1.00 0.00 H ATOM 1735 N ASP B 64 14.126 -13.499 -19.572 1.00 8.71 N ATOM 1736 CA ASP B 64 14.539 -14.905 -19.548 1.00 8.48 C ATOM 1737 C ASP B 64 14.248 -15.521 -18.184 1.00 8.52 C ATOM 1738 O ASP B 64 13.833 -16.682 -18.088 1.00 11.28 O ATOM 1739 CB ASP B 64 16.032 -15.041 -19.870 1.00 9.05 C ATOM 1740 CG ASP B 64 16.362 -14.809 -21.344 1.00 11.24 C ATOM 1741 OD1 ASP B 64 15.442 -14.697 -22.167 1.00 12.71 O ATOM 1742 OD2 ASP B 64 17.579 -14.746 -21.657 1.00 14.17 O ATOM 1743 H ASP B 64 14.835 -12.749 -19.705 1.00 0.00 H ATOM 1744 N LEU B 65 14.460 -14.755 -17.114 1.00 7.44 N ATOM 1745 CA LEU B 65 14.157 -15.264 -15.778 1.00 7.54 C ATOM 1746 C LEU B 65 12.660 -15.482 -15.613 1.00 9.20 C ATOM 1747 O LEU B 65 12.233 -16.476 -15.010 1.00 10.17 O ATOM 1748 CB LEU B 65 14.681 -14.298 -14.714 1.00 8.18 C ATOM 1749 CG LEU B 65 16.202 -14.182 -14.570 1.00 7.16 C ATOM 1750 CD1 LEU B 65 16.557 -13.074 -13.590 1.00 9.07 C ATOM 1751 CD2 LEU B 65 16.815 -15.499 -14.117 1.00 10.48 C ATOM 1752 H LEU B 65 14.841 -13.794 -17.230 1.00 0.00 H ATOM 1753 N ILE B 66 11.846 -14.569 -16.150 1.00 9.04 N ATOM 1754 CA ILE B 66 10.390 -14.733 -16.099 1.00 8.61 C ATOM 1755 C ILE B 66 9.967 -15.998 -16.842 1.00 10.61 C ATOM 1756 O ILE B 66 9.131 -16.781 -16.359 1.00 12.14 O ATOM 1757 CB ILE B 66 9.696 -13.483 -16.673 1.00 9.92 C ATOM 1758 CG1 ILE B 66 9.900 -12.267 -15.762 1.00 10.78 C ATOM 1759 CG2 ILE B 66 8.206 -13.728 -16.832 1.00 11.45 C ATOM 1760 CD1 ILE B 66 9.519 -10.965 -16.425 1.00 11.55 C ATOM 1761 H ILE B 66 12.251 -13.729 -16.611 1.00 0.00 H ATOM 1762 N GLU B 67 10.516 -16.205 -18.042 1.00 9.89 N ATOM 1763 CA GLU B 67 10.145 -17.366 -18.845 1.00 11.81 C ATOM 1764 C GLU B 67 10.528 -18.665 -18.150 1.00 13.15 C ATOM 1765 O GLU B 67 9.834 -19.676 -18.307 1.00 14.50 O ATOM 1766 CB GLU B 67 10.782 -17.246 -20.238 1.00 12.88 C ATOM 1767 CG GLU B 67 10.057 -16.195 -21.074 1.00 15.43 C ATOM 1768 CD GLU B 67 10.751 -15.824 -22.368 1.00 17.08 C ATOM 1769 OE1 GLU B 67 11.690 -16.529 -22.785 1.00 24.79 O ATOM 1770 OE2 GLU B 67 10.349 -14.799 -22.955 1.00 20.45 O ATOM 1771 H GLU B 67 11.217 -15.530 -18.409 1.00 0.00 H ATOM 1772 N GLU B 68 11.610 -18.647 -17.366 1.00 11.05 N ATOM 1773 CA GLU B 68 12.063 -19.774 -16.557 1.00 10.98 C ATOM 1774 C GLU B 68 11.312 -19.891 -15.237 1.00 11.89 C ATOM 1775 O GLU B 68 11.531 -20.864 -14.500 1.00 13.69 O ATOM 1776 CB GLU B 68 13.560 -19.622 -16.270 1.00 19.89 C ATOM 1777 CG GLU B 68 14.282 -20.887 -15.897 1.00 29.04 C ATOM 1778 CD GLU B 68 14.857 -21.571 -17.098 1.00 34.02 C ATOM 1779 OE1 GLU B 68 14.533 -21.140 -18.224 1.00 30.95 O ATOM 1780 OE2 GLU B 68 15.629 -22.533 -16.918 1.00 43.58 O ATOM 1781 H GLU B 68 12.167 -17.770 -17.330 1.00 0.00 H ATOM 1782 N LYS B 69 10.448 -18.924 -14.921 1.00 9.91 N ATOM 1783 CA LYS B 69 9.692 -18.880 -13.661 1.00 10.29 C ATOM 1784 C LYS B 69 10.607 -18.749 -12.444 1.00 12.23 C ATOM 1785 O LYS B 69 10.226 -19.114 -11.326 1.00 12.47 O ATOM 1786 CB LYS B 69 8.774 -20.100 -13.511 1.00 12.96 C ATOM 1787 CG LYS B 69 7.634 -20.079 -14.517 1.00 21.51 C ATOM 1788 CD LYS B 69 7.540 -21.367 -15.283 1.00 27.24 C ATOM 1789 CE LYS B 69 6.426 -21.286 -16.320 1.00 20.84 C ATOM 1790 NZ LYS B 69 6.954 -20.873 -17.639 1.00 22.10 N ATOM 1791 HZ1 LYS B 69 7.399 -19.937 -17.555 1.00 0.00 H ATOM 1792 HZ2 LYS B 69 7.659 -21.566 -17.961 1.00 0.00 H ATOM 1793 HZ3 LYS B 69 6.173 -20.827 -18.324 1.00 0.00 H ATOM 1794 H LYS B 69 10.301 -18.156 -15.607 1.00 0.00 H ATOM 1795 N ASP B 70 11.796 -18.174 -12.629 1.00 10.19 N ATOM 1796 CA ASP B 70 12.753 -18.000 -11.537 1.00 9.32 C ATOM 1797 C ASP B 70 12.441 -16.699 -10.799 1.00 10.42 C ATOM 1798 O ASP B 70 13.145 -15.692 -10.896 1.00 8.34 O ATOM 1799 CB ASP B 70 14.174 -18.021 -12.070 1.00 9.88 C ATOM 1800 CG ASP B 70 15.200 -18.221 -10.980 1.00 11.03 C ATOM 1801 OD1 ASP B 70 14.848 -18.123 -9.776 1.00 12.56 O ATOM 1802 OD2 ASP B 70 16.383 -18.463 -11.322 1.00 14.21 O ATOM 1803 H ASP B 70 12.051 -17.839 -13.580 1.00 0.00 H ATOM 1804 N LEU B 71 11.345 -16.744 -10.040 1.00 10.28 N ATOM 1805 CA LEU B 71 10.861 -15.547 -9.367 1.00 7.77 C ATOM 1806 C LEU B 71 11.848 -15.060 -8.312 1.00 8.95 C ATOM 1807 O LEU B 71 12.066 -13.846 -8.170 1.00 9.10 O ATOM 1808 CB LEU B 71 9.488 -15.831 -8.755 1.00 9.58 C ATOM 1809 CG LEU B 71 8.855 -14.670 -7.995 1.00 9.04 C ATOM 1810 CD1 LEU B 71 8.812 -13.388 -8.802 1.00 12.13 C ATOM 1811 CD2 LEU B 71 7.440 -15.064 -7.565 1.00 11.73 C ATOM 1812 H LEU B 71 10.832 -17.642 -9.928 1.00 0.00 H ATOM 1813 N GLU B 72 12.455 -15.982 -7.566 1.00 10.21 N ATOM 1814 CA GLU B 72 13.411 -15.580 -6.540 1.00 10.98 C ATOM 1815 C GLU B 72 14.568 -14.798 -7.143 1.00 8.11 C ATOM 1816 O GLU B 72 14.961 -13.752 -6.611 1.00 10.06 O ATOM 1817 CB GLU B 72 13.925 -16.811 -5.800 1.00 13.31 C ATOM 1818 CG GLU B 72 12.958 -17.315 -4.763 1.00 17.74 C ATOM 1819 CD GLU B 72 11.917 -18.265 -5.328 1.00 23.17 C ATOM 1820 OE1 GLU B 72 11.985 -18.622 -6.529 1.00 17.84 O ATOM 1821 OE2 GLU B 72 11.025 -18.657 -4.550 1.00 21.38 O ATOM 1822 H GLU B 72 12.247 -16.990 -7.715 1.00 0.00 H ATOM 1823 N LYS B 73 15.130 -15.275 -8.259 1.00 7.95 N ATOM 1824 CA LYS B 73 16.288 -14.581 -8.812 1.00 9.52 C ATOM 1825 C LYS B 73 15.870 -13.275 -9.473 1.00 8.98 C ATOM 1826 O LYS B 73 16.590 -12.274 -9.381 1.00 9.02 O ATOM 1827 CB LYS B 73 17.048 -15.475 -9.797 1.00 10.63 C ATOM 1828 CG LYS B 73 18.445 -14.921 -10.131 1.00 14.19 C ATOM 1829 CD LYS B 73 19.221 -15.818 -11.097 1.00 21.05 C ATOM 1830 CE LYS B 73 19.618 -17.133 -10.463 1.00 26.63 C ATOM 1831 NZ LYS B 73 20.564 -17.865 -11.359 1.00 19.15 N ATOM 1832 HZ1 LYS B 73 20.102 -18.050 -12.272 1.00 0.00 H ATOM 1833 HZ2 LYS B 73 21.415 -17.286 -11.510 1.00 0.00 H ATOM 1834 HZ3 LYS B 73 20.832 -18.767 -10.916 1.00 0.00 H ATOM 1835 H LYS B 73 14.749 -16.124 -8.723 1.00 0.00 H ATOM 1836 N LEU B 74 14.707 -13.257 -10.126 1.00 8.21 N ATOM 1837 CA LEU B 74 14.203 -12.006 -10.691 1.00 8.06 C ATOM 1838 C LEU B 74 14.076 -10.931 -9.620 1.00 8.35 C ATOM 1839 O LEU B 74 14.517 -9.789 -9.815 1.00 7.84 O ATOM 1840 CB LEU B 74 12.853 -12.249 -11.358 1.00 7.53 C ATOM 1841 CG LEU B 74 12.181 -10.984 -11.876 1.00 7.32 C ATOM 1842 CD1 LEU B 74 12.913 -10.417 -13.096 1.00 9.62 C ATOM 1843 CD2 LEU B 74 10.747 -11.287 -12.237 1.00 10.55 C ATOM 1844 H LEU B 74 14.158 -14.134 -10.233 1.00 0.00 H ATOM 1845 N ASP B 75 13.475 -11.275 -8.478 1.00 8.75 N ATOM 1846 CA ASP B 75 13.312 -10.296 -7.410 1.00 8.07 C ATOM 1847 C ASP B 75 14.662 -9.814 -6.884 1.00 7.80 C ATOM 1848 O ASP B 75 14.853 -8.610 -6.670 1.00 9.09 O ATOM 1849 CB ASP B 75 12.464 -10.903 -6.297 1.00 8.60 C ATOM 1850 CG ASP B 75 11.915 -9.865 -5.349 1.00 11.01 C ATOM 1851 OD1 ASP B 75 11.258 -8.915 -5.813 1.00 12.73 O ATOM 1852 OD2 ASP B 75 12.142 -10.030 -4.130 1.00 15.75 O ATOM 1853 H ASP B 75 13.122 -12.245 -8.350 1.00 0.00 H ATOM 1854 N LEU B 76 15.613 -10.736 -6.682 1.00 8.83 N ATOM 1855 CA LEU B 76 16.950 -10.345 -6.236 1.00 9.49 C ATOM 1856 C LEU B 76 17.600 -9.383 -7.213 1.00 9.03 C ATOM 1857 O LEU B 76 18.191 -8.371 -6.807 1.00 10.46 O ATOM 1858 CB LEU B 76 17.841 -11.577 -6.060 1.00 11.06 C ATOM 1859 CG LEU B 76 17.586 -12.458 -4.833 1.00 13.28 C ATOM 1860 CD1 LEU B 76 18.437 -13.712 -4.955 1.00 15.60 C ATOM 1861 CD2 LEU B 76 17.887 -11.726 -3.533 1.00 14.88 C ATOM 1862 H LEU B 76 15.398 -11.741 -6.844 1.00 0.00 H ATOM 1863 N VAL B 77 17.514 -9.690 -8.511 1.00 8.63 N ATOM 1864 CA VAL B 77 18.186 -8.877 -9.519 1.00 8.98 C ATOM 1865 C VAL B 77 17.548 -7.498 -9.619 1.00 9.37 C ATOM 1866 O VAL B 77 18.254 -6.481 -9.671 1.00 9.21 O ATOM 1867 CB VAL B 77 18.171 -9.620 -10.866 1.00 8.92 C ATOM 1868 CG1 VAL B 77 18.497 -8.668 -12.015 1.00 10.48 C ATOM 1869 CG2 VAL B 77 19.153 -10.789 -10.814 1.00 11.30 C ATOM 1870 H VAL B 77 16.961 -10.520 -8.806 1.00 0.00 H ATOM 1871 N ILE B 78 16.213 -7.440 -9.641 1.00 9.34 N ATOM 1872 CA ILE B 78 15.508 -6.160 -9.720 1.00 8.93 C ATOM 1873 C ILE B 78 15.856 -5.288 -8.519 1.00 10.78 C ATOM 1874 O ILE B 78 16.161 -4.097 -8.666 1.00 10.76 O ATOM 1875 CB ILE B 78 13.989 -6.399 -9.839 1.00 8.24 C ATOM 1876 CG1 ILE B 78 13.655 -6.949 -11.222 1.00 9.37 C ATOM 1877 CG2 ILE B 78 13.217 -5.105 -9.589 1.00 10.39 C ATOM 1878 CD1 ILE B 78 13.771 -5.957 -12.356 1.00 11.87 C ATOM 1879 H ILE B 78 15.664 -8.322 -9.601 1.00 0.00 H ATOM 1880 N LYS B 79 15.853 -5.868 -7.315 1.00 9.00 N ATOM 1881 CA LYS B 79 16.139 -5.073 -6.123 1.00 9.07 C ATOM 1882 C LYS B 79 17.601 -4.650 -6.047 1.00 9.33 C ATOM 1883 O LYS B 79 17.902 -3.573 -5.511 1.00 12.52 O ATOM 1884 CB LYS B 79 15.727 -5.861 -4.875 1.00 10.31 C ATOM 1885 CG LYS B 79 14.220 -5.943 -4.715 1.00 12.45 C ATOM 1886 CD LYS B 79 13.813 -6.892 -3.618 1.00 12.04 C ATOM 1887 CE LYS B 79 12.339 -6.765 -3.380 1.00 11.46 C ATOM 1888 NZ LYS B 79 11.868 -7.818 -2.440 1.00 14.47 N ATOM 1889 HZ1 LYS B 79 12.065 -8.756 -2.845 1.00 0.00 H ATOM 1890 HZ2 LYS B 79 12.366 -7.719 -1.533 1.00 0.00 H ATOM 1891 HZ3 LYS B 79 10.845 -7.713 -2.288 1.00 0.00 H ATOM 1892 H LYS B 79 15.647 -6.884 -7.227 1.00 0.00 H ATOM 1893 N TYR B 80 18.519 -5.470 -6.569 1.00 10.33 N ATOM 1894 CA TYR B 80 19.925 -5.080 -6.562 1.00 9.69 C ATOM 1895 C TYR B 80 20.155 -3.913 -7.505 1.00 12.61 C ATOM 1896 O TYR B 80 20.835 -2.936 -7.147 1.00 12.19 O ATOM 1897 CB TYR B 80 20.802 -6.281 -6.943 1.00 12.18 C ATOM 1898 CG TYR B 80 22.284 -6.020 -6.815 1.00 10.14 C ATOM 1899 CD1 TYR B 80 22.890 -5.975 -5.564 1.00 12.63 C ATOM 1900 CD2 TYR B 80 23.074 -5.823 -7.936 1.00 13.22 C ATOM 1901 CE1 TYR B 80 24.254 -5.728 -5.440 1.00 12.90 C ATOM 1902 CE2 TYR B 80 24.435 -5.582 -7.819 1.00 13.20 C ATOM 1903 CZ TYR B 80 25.011 -5.529 -6.570 1.00 15.37 C ATOM 1904 OH TYR B 80 26.363 -5.275 -6.466 1.00 19.07 O ATOM 1905 HH TYR B 80 26.624 -5.269 -5.511 1.00 0.00 H ATOM 1906 H TYR B 80 18.232 -6.382 -6.978 1.00 0.00 H ATOM 1907 N MET B 81 19.577 -3.989 -8.705 1.00 10.86 N ATOM 1908 CA MET B 81 19.678 -2.890 -9.660 1.00 10.34 C ATOM 1909 C MET B 81 19.063 -1.621 -9.099 1.00 12.95 C ATOM 1910 O MET B 81 19.623 -0.529 -9.268 1.00 12.30 O ATOM 1911 CB MET B 81 19.006 -3.272 -10.975 1.00 9.78 C ATOM 1912 CG MET B 81 19.798 -4.309 -11.700 1.00 11.77 C ATOM 1913 SD MET B 81 19.241 -4.586 -13.377 1.00 12.14 S ATOM 1914 CE MET B 81 17.558 -5.131 -13.111 1.00 11.97 C ATOM 1915 H MET B 81 19.046 -4.845 -8.964 1.00 0.00 H ATOM 1916 N LYS B 82 17.918 -1.746 -8.424 1.00 11.89 N ATOM 1917 CA LYS B 82 17.242 -0.579 -7.872 1.00 12.21 C ATOM 1918 C LYS B 82 18.158 0.183 -6.932 1.00 13.66 C ATOM 1919 O LYS B 82 18.307 1.405 -7.041 1.00 14.70 O ATOM 1920 CB LYS B 82 15.973 -1.003 -7.140 1.00 11.70 C ATOM 1921 CG LYS B 82 15.150 0.177 -6.606 1.00 13.59 C ATOM 1922 CD LYS B 82 13.913 -0.317 -5.876 1.00 17.04 C ATOM 1923 CE LYS B 82 13.015 0.817 -5.431 1.00 21.97 C ATOM 1924 NZ LYS B 82 13.661 1.725 -4.448 1.00 22.04 N ATOM 1925 HZ1 LYS B 82 13.927 1.184 -3.601 1.00 0.00 H ATOM 1926 HZ2 LYS B 82 14.512 2.146 -4.873 1.00 0.00 H ATOM 1927 HZ3 LYS B 82 12.995 2.479 -4.184 1.00 0.00 H ATOM 1928 H LYS B 82 17.502 -2.690 -8.290 1.00 0.00 H ATOM 1929 N ARG B 83 18.826 -0.523 -6.016 1.00 13.39 N ATOM 1930 CA ARG B 83 19.631 0.180 -5.020 1.00 11.87 C ATOM 1931 C ARG B 83 20.953 0.714 -5.572 1.00 14.77 C ATOM 1932 O ARG B 83 21.514 1.655 -4.994 1.00 18.38 O ATOM 1933 CB ARG B 83 19.881 -0.715 -3.799 1.00 12.30 C ATOM 1934 CG ARG B 83 20.886 -1.870 -3.960 1.00 16.43 C ATOM 1935 CD ARG B 83 21.282 -2.328 -2.559 1.00 17.25 C ATOM 1936 NE ARG B 83 21.872 -3.662 -2.421 1.00 14.69 N ATOM 1937 CZ ARG B 83 23.179 -3.892 -2.309 1.00 18.03 C ATOM 1938 NH1 ARG B 83 24.038 -2.882 -2.373 1.00 14.50 N ATOM 1939 NH2 ARG B 83 23.630 -5.135 -2.132 1.00 12.51 N ATOM 1940 HE ARG B 83 21.230 -4.480 -2.410 1.00 0.00 H ATOM 1941 HH12 ARG B 83 25.059 -3.061 -2.286 1.00 0.00 H ATOM 1942 HH11 ARG B 83 23.690 -1.912 -2.511 1.00 0.00 H ATOM 1943 HH22 ARG B 83 24.651 -5.310 -2.045 1.00 0.00 H ATOM 1944 HH21 ARG B 83 22.960 -5.929 -2.081 1.00 0.00 H ATOM 1945 H ARG B 83 18.774 -1.562 -6.012 1.00 0.00 H ATOM 1946 N LEU B 84 21.455 0.169 -6.680 1.00 13.52 N ATOM 1947 CA LEU B 84 22.646 0.747 -7.299 1.00 13.29 C ATOM 1948 C LEU B 84 22.291 1.894 -8.237 1.00 18.47 C ATOM 1949 O LEU B 84 23.040 2.879 -8.331 1.00 19.02 O ATOM 1950 CB LEU B 84 23.422 -0.333 -8.050 1.00 19.64 C ATOM 1951 CG LEU B 84 24.554 -1.050 -7.298 1.00 27.55 C ATOM 1952 CD1 LEU B 84 24.092 -1.662 -5.985 1.00 30.66 C ATOM 1953 CD2 LEU B 84 25.196 -2.105 -8.179 1.00 26.59 C ATOM 1954 H LEU B 84 21.000 -0.665 -7.103 1.00 0.00 H ATOM 1955 N MET B 85 21.163 1.783 -8.948 1.00 15.15 N ATOM 1956 CA MET B 85 20.791 2.769 -9.960 1.00 14.24 C ATOM 1957 C MET B 85 20.118 3.997 -9.369 1.00 16.38 C ATOM 1958 O MET B 85 20.136 5.063 -9.995 1.00 21.19 O ATOM 1959 CB MET B 85 19.857 2.143 -11.001 1.00 12.60 C ATOM 1960 CG MET B 85 20.513 1.115 -11.893 1.00 12.72 C ATOM 1961 SD MET B 85 19.349 0.475 -13.102 1.00 12.91 S ATOM 1962 CE MET B 85 20.316 -0.846 -13.800 1.00 13.40 C ATOM 1963 H MET B 85 20.534 0.973 -8.776 1.00 0.00 H ATOM 1964 N GLN B 86 19.533 3.891 -8.187 1.00 15.75 N ATOM 1965 CA GLN B 86 18.897 5.056 -7.593 1.00 20.92 C ATOM 1966 C GLN B 86 19.817 5.834 -6.663 1.00 34.28 C ATOM 1967 O GLN B 86 19.504 6.981 -6.326 1.00 39.28 O ATOM 1968 CB GLN B 86 17.636 4.630 -6.847 1.00 17.15 C ATOM 1969 CG GLN B 86 16.616 4.019 -7.763 1.00 18.42 C ATOM 1970 CD GLN B 86 15.307 3.764 -7.077 1.00 17.10 C ATOM 1971 OE1 GLN B 86 15.269 3.498 -5.871 1.00 21.82 O ATOM 1972 NE2 GLN B 86 14.215 3.846 -7.831 1.00 18.82 N ATOM 1973 HE22 GLN B 86 14.297 4.073 -8.843 1.00 0.00 H ATOM 1974 HE21 GLN B 86 13.278 3.683 -7.409 1.00 0.00 H ATOM 1975 H GLN B 86 19.528 2.980 -7.686 1.00 0.00 H ATOM 1976 N GLN B 87 20.937 5.248 -6.253 1.00 35.09 N ATOM 1977 CA GLN B 87 21.925 5.946 -5.437 1.00 48.34 C ATOM 1978 C GLN B 87 22.624 7.030 -6.251 1.00 52.14 C ATOM 1979 O GLN B 87 22.424 8.221 -6.017 1.00 54.97 O ATOM 1980 CB GLN B 87 22.956 4.961 -4.878 1.00 52.35 C ATOM 1981 H GLN B 87 21.115 4.259 -6.523 1.00 0.00 H TER 1982 GLN B 87 ATOM 1983 N SER B 91 19.225 11.277 -11.993 1.00 44.14 N ATOM 1984 CA SER B 91 20.131 11.035 -13.108 1.00 33.08 C ATOM 1985 C SER B 91 19.517 10.069 -14.120 1.00 34.94 C ATOM 1986 O SER B 91 18.403 9.574 -13.932 1.00 31.17 O ATOM 1987 CB SER B 91 21.471 10.492 -12.603 1.00 34.89 C ATOM 1988 OG SER B 91 21.470 9.075 -12.564 1.00 36.36 O ATOM 1989 HG SER B 91 22.347 8.754 -12.235 1.00 0.00 H ATOM 1990 HN3 SER B 91 19.021 10.378 -11.512 1.00 0.00 H ATOM 1991 HN2 SER B 91 18.340 11.689 -12.351 1.00 0.00 H ATOM 1992 HN1 SER B 91 19.670 11.936 -11.323 1.00 0.00 H ATOM 1993 N VAL B 92 20.249 9.815 -15.208 1.00 23.50 N ATOM 1994 CA VAL B 92 19.741 8.919 -16.239 1.00 16.57 C ATOM 1995 C VAL B 92 19.605 7.501 -15.695 1.00 14.44 C ATOM 1996 O VAL B 92 18.738 6.744 -16.146 1.00 14.13 O ATOM 1997 CB VAL B 92 20.646 8.977 -17.483 1.00 17.14 C ATOM 1998 CG1 VAL B 92 22.039 8.458 -17.161 1.00 20.59 C ATOM 1999 CG2 VAL B 92 20.020 8.211 -18.654 1.00 22.34 C ATOM 2000 H VAL B 92 21.183 10.258 -15.320 1.00 0.00 H ATOM 2001 N TRP B 93 20.431 7.122 -14.712 1.00 13.67 N ATOM 2002 CA TRP B 93 20.303 5.782 -14.140 1.00 11.51 C ATOM 2003 C TRP B 93 18.954 5.599 -13.467 1.00 13.26 C ATOM 2004 O TRP B 93 18.400 4.496 -13.472 1.00 11.41 O ATOM 2005 CB TRP B 93 21.428 5.497 -13.142 1.00 12.55 C ATOM 2006 CG TRP B 93 22.695 5.004 -13.796 1.00 13.42 C ATOM 2007 CD1 TRP B 93 23.908 5.636 -13.844 1.00 15.42 C ATOM 2008 CD2 TRP B 93 22.861 3.778 -14.501 1.00 12.25 C ATOM 2009 NE1 TRP B 93 24.814 4.874 -14.536 1.00 15.12 N ATOM 2010 CE2 TRP B 93 24.193 3.723 -14.946 1.00 13.28 C ATOM 2011 CE3 TRP B 93 22.009 2.712 -14.790 1.00 13.37 C ATOM 2012 CZ2 TRP B 93 24.691 2.650 -15.678 1.00 14.80 C ATOM 2013 CZ3 TRP B 93 22.502 1.653 -15.520 1.00 13.07 C ATOM 2014 CH2 TRP B 93 23.826 1.621 -15.946 1.00 13.46 C ATOM 2015 HE1 TRP B 93 25.806 5.127 -14.719 1.00 0.00 H ATOM 2016 H TRP B 93 21.158 7.776 -14.358 1.00 0.00 H ATOM 2017 N ASN B 94 18.411 6.660 -12.879 1.00 14.26 N ATOM 2018 CA ASN B 94 17.084 6.553 -12.293 1.00 13.30 C ATOM 2019 C ASN B 94 16.043 6.262 -13.362 1.00 11.38 C ATOM 2020 O ASN B 94 15.144 5.443 -13.155 1.00 13.48 O ATOM 2021 CB ASN B 94 16.752 7.829 -11.529 1.00 16.30 C ATOM 2022 CG ASN B 94 17.596 7.977 -10.278 1.00 23.56 C ATOM 2023 OD1 ASN B 94 17.231 7.485 -9.215 1.00 30.04 O ATOM 2024 ND2 ASN B 94 18.736 8.643 -10.404 1.00 33.08 N ATOM 2025 HD22 ASN B 94 19.005 9.043 -11.325 1.00 0.00 H ATOM 2026 HD21 ASN B 94 19.361 8.765 -9.581 1.00 0.00 H ATOM 2027 H ASN B 94 18.931 7.560 -12.838 1.00 0.00 H ATOM 2028 N MET B 95 16.158 6.928 -14.517 1.00 13.82 N ATOM 2029 CA MET B 95 15.242 6.664 -15.621 1.00 13.17 C ATOM 2030 C MET B 95 15.449 5.267 -16.184 1.00 12.94 C ATOM 2031 O MET B 95 14.480 4.588 -16.545 1.00 13.20 O ATOM 2032 CB MET B 95 15.425 7.707 -16.724 1.00 13.68 C ATOM 2033 CG MET B 95 15.011 9.112 -16.330 1.00 16.75 C ATOM 2034 SD MET B 95 13.243 9.255 -16.013 1.00 24.34 S ATOM 2035 CE MET B 95 12.584 9.221 -17.679 1.00 28.75 C ATOM 2036 H MET B 95 16.907 7.640 -14.628 1.00 0.00 H ATOM 2037 N ALA B 96 16.706 4.831 -16.279 1.00 11.29 N ATOM 2038 CA ALA B 96 16.987 3.489 -16.775 1.00 9.94 C ATOM 2039 C ALA B 96 16.337 2.436 -15.889 1.00 10.04 C ATOM 2040 O ALA B 96 15.765 1.462 -16.390 1.00 10.72 O ATOM 2041 CB ALA B 96 18.500 3.257 -16.856 1.00 12.00 C ATOM 2042 H ALA B 96 17.491 5.452 -15.997 1.00 0.00 H ATOM 2043 N PHE B 97 16.414 2.608 -14.566 1.00 10.38 N ATOM 2044 CA PHE B 97 15.764 1.634 -13.701 1.00 10.78 C ATOM 2045 C PHE B 97 14.259 1.603 -13.948 1.00 10.56 C ATOM 2046 O PHE B 97 13.658 0.523 -14.062 1.00 10.51 O ATOM 2047 CB PHE B 97 16.035 1.898 -12.217 1.00 10.30 C ATOM 2048 CG PHE B 97 15.309 0.919 -11.350 1.00 10.07 C ATOM 2049 CD1 PHE B 97 15.766 -0.388 -11.244 1.00 11.49 C ATOM 2050 CD2 PHE B 97 14.116 1.262 -10.744 1.00 10.34 C ATOM 2051 CE1 PHE B 97 15.057 -1.321 -10.503 1.00 11.50 C ATOM 2052 CE2 PHE B 97 13.406 0.333 -10.006 1.00 11.13 C ATOM 2053 CZ PHE B 97 13.888 -0.958 -9.885 1.00 11.78 C ATOM 2054 H PHE B 97 16.926 3.419 -14.164 1.00 0.00 H ATOM 2055 N ASP B 98 13.623 2.778 -14.025 1.00 10.66 N ATOM 2056 CA ASP B 98 12.176 2.808 -14.250 1.00 10.53 C ATOM 2057 C ASP B 98 11.807 2.114 -15.558 1.00 9.74 C ATOM 2058 O ASP B 98 10.780 1.432 -15.645 1.00 12.47 O ATOM 2059 CB ASP B 98 11.668 4.250 -14.264 1.00 15.19 C ATOM 2060 CG ASP B 98 11.725 4.917 -12.900 1.00 23.57 C ATOM 2061 OD1 ASP B 98 11.920 4.221 -11.883 1.00 22.95 O ATOM 2062 OD2 ASP B 98 11.580 6.157 -12.855 1.00 30.58 O ATOM 2063 H ASP B 98 14.154 3.667 -13.925 1.00 0.00 H ATOM 2064 N PHE B 99 12.640 2.283 -16.590 1.00 11.03 N ATOM 2065 CA PHE B 99 12.381 1.663 -17.884 1.00 10.35 C ATOM 2066 C PHE B 99 12.488 0.147 -17.791 1.00 10.58 C ATOM 2067 O PHE B 99 11.642 -0.579 -18.326 1.00 10.84 O ATOM 2068 CB PHE B 99 13.370 2.231 -18.912 1.00 9.30 C ATOM 2069 CG PHE B 99 13.325 1.568 -20.261 1.00 10.54 C ATOM 2070 CD1 PHE B 99 14.085 0.443 -20.522 1.00 12.64 C ATOM 2071 CD2 PHE B 99 12.556 2.103 -21.279 1.00 12.30 C ATOM 2072 CE1 PHE B 99 14.063 -0.156 -21.763 1.00 12.62 C ATOM 2073 CE2 PHE B 99 12.539 1.510 -22.528 1.00 12.93 C ATOM 2074 CZ PHE B 99 13.286 0.379 -22.763 1.00 10.85 C ATOM 2075 H PHE B 99 13.490 2.869 -16.467 1.00 0.00 H ATOM 2076 N ILE B 100 13.537 -0.347 -17.130 1.00 9.27 N ATOM 2077 CA ILE B 100 13.709 -1.793 -16.977 1.00 8.47 C ATOM 2078 C ILE B 100 12.543 -2.373 -16.194 1.00 9.41 C ATOM 2079 O ILE B 100 11.923 -3.360 -16.604 1.00 10.33 O ATOM 2080 CB ILE B 100 15.049 -2.103 -16.280 1.00 8.17 C ATOM 2081 CG1 ILE B 100 16.226 -1.727 -17.177 1.00 9.25 C ATOM 2082 CG2 ILE B 100 15.129 -3.586 -15.880 1.00 10.45 C ATOM 2083 CD1 ILE B 100 17.530 -1.591 -16.415 1.00 9.84 C ATOM 2084 H ILE B 100 14.239 0.301 -16.720 1.00 0.00 H ATOM 2085 N LEU B 101 12.236 -1.767 -15.042 1.00 9.83 N ATOM 2086 CA LEU B 101 11.161 -2.279 -14.201 1.00 10.11 C ATOM 2087 C LEU B 101 9.829 -2.263 -14.938 1.00 9.84 C ATOM 2088 O LEU B 101 9.079 -3.242 -14.880 1.00 11.31 O ATOM 2089 CB LEU B 101 11.066 -1.468 -12.910 1.00 10.16 C ATOM 2090 CG LEU B 101 9.954 -1.928 -11.956 1.00 9.23 C ATOM 2091 CD1 LEU B 101 10.127 -3.399 -11.583 1.00 13.08 C ATOM 2092 CD2 LEU B 101 9.929 -1.053 -10.716 1.00 14.27 C ATOM 2093 H LEU B 101 12.768 -0.924 -14.744 1.00 0.00 H ATOM 2094 N ASP B 102 9.524 -1.161 -15.635 1.00 11.39 N ATOM 2095 CA ASP B 102 8.247 -1.059 -16.342 1.00 10.67 C ATOM 2096 C ASP B 102 8.085 -2.189 -17.355 1.00 12.56 C ATOM 2097 O ASP B 102 7.008 -2.782 -17.470 1.00 11.00 O ATOM 2098 CB ASP B 102 8.132 0.297 -17.042 1.00 11.34 C ATOM 2099 CG ASP B 102 7.854 1.441 -16.078 1.00 16.35 C ATOM 2100 OD1 ASP B 102 7.497 1.180 -14.912 1.00 22.94 O ATOM 2101 OD2 ASP B 102 8.003 2.611 -16.494 1.00 25.40 O ATOM 2102 H ASP B 102 10.200 -0.372 -15.674 1.00 0.00 H ATOM 2103 N ASN B 103 9.153 -2.512 -18.086 1.00 10.56 N ATOM 2104 CA ASN B 103 9.070 -3.589 -19.066 1.00 8.95 C ATOM 2105 C ASN B 103 8.787 -4.921 -18.377 1.00 11.35 C ATOM 2106 O ASN B 103 7.905 -5.676 -18.800 1.00 11.72 O ATOM 2107 CB ASN B 103 10.375 -3.641 -19.868 1.00 12.81 C ATOM 2108 CG ASN B 103 10.286 -4.558 -21.079 1.00 16.82 C ATOM 2109 OD1 ASN B 103 10.050 -5.756 -20.945 1.00 17.25 O ATOM 2110 ND2 ASN B 103 10.487 -3.998 -22.266 1.00 15.21 N ATOM 2111 HD22 ASN B 103 10.684 -2.979 -22.334 1.00 0.00 H ATOM 2112 HD21 ASN B 103 10.447 -4.578 -23.128 1.00 0.00 H ATOM 2113 H ASN B 103 10.046 -1.995 -17.957 1.00 0.00 H ATOM 2114 N VAL B 104 9.493 -5.189 -17.276 1.00 10.47 N ATOM 2115 CA VAL B 104 9.263 -6.393 -16.477 1.00 11.14 C ATOM 2116 C VAL B 104 7.833 -6.442 -15.951 1.00 10.70 C ATOM 2117 O VAL B 104 7.166 -7.485 -16.016 1.00 10.94 O ATOM 2118 CB VAL B 104 10.290 -6.449 -15.333 1.00 9.75 C ATOM 2119 CG1 VAL B 104 9.871 -7.427 -14.257 1.00 11.88 C ATOM 2120 CG2 VAL B 104 11.672 -6.795 -15.907 1.00 12.79 C ATOM 2121 H VAL B 104 10.231 -4.520 -16.976 1.00 0.00 H ATOM 2122 N GLN B 105 7.331 -5.318 -15.417 1.00 10.30 N ATOM 2123 CA GLN B 105 5.987 -5.322 -14.833 1.00 10.36 C ATOM 2124 C GLN B 105 4.913 -5.578 -15.881 1.00 11.34 C ATOM 2125 O GLN B 105 3.894 -6.211 -15.569 1.00 13.28 O ATOM 2126 CB GLN B 105 5.703 -3.993 -14.121 1.00 10.28 C ATOM 2127 CG GLN B 105 6.643 -3.632 -12.981 1.00 10.77 C ATOM 2128 CD GLN B 105 6.401 -4.454 -11.715 1.00 10.94 C ATOM 2129 OE1 GLN B 105 6.394 -5.689 -11.744 1.00 12.76 O ATOM 2130 NE2 GLN B 105 6.212 -3.763 -10.589 1.00 12.92 N ATOM 2131 HE22 GLN B 105 6.226 -2.723 -10.608 1.00 0.00 H ATOM 2132 HE21 GLN B 105 6.051 -4.264 -9.692 1.00 0.00 H ATOM 2133 H GLN B 105 7.895 -4.444 -15.418 1.00 0.00 H ATOM 2134 N VAL B 106 5.110 -5.091 -17.109 1.00 12.30 N ATOM 2135 CA VAL B 106 4.148 -5.352 -18.175 1.00 13.71 C ATOM 2136 C VAL B 106 4.111 -6.839 -18.501 1.00 15.05 C ATOM 2137 O VAL B 106 3.031 -7.437 -18.627 1.00 14.51 O ATOM 2138 CB VAL B 106 4.483 -4.513 -19.420 1.00 14.86 C ATOM 2139 CG1 VAL B 106 3.684 -5.009 -20.622 1.00 19.40 C ATOM 2140 CG2 VAL B 106 4.195 -3.052 -19.153 1.00 17.18 C ATOM 2141 H VAL B 106 5.957 -4.521 -17.307 1.00 0.00 H ATOM 2142 N VAL B 107 5.287 -7.452 -18.664 1.00 11.40 N ATOM 2143 CA VAL B 107 5.352 -8.885 -18.942 1.00 13.61 C ATOM 2144 C VAL B 107 4.681 -9.677 -17.829 1.00 12.82 C ATOM 2145 O VAL B 107 3.906 -10.608 -18.088 1.00 14.16 O ATOM 2146 CB VAL B 107 6.810 -9.333 -19.157 1.00 12.89 C ATOM 2147 CG1 VAL B 107 6.875 -10.855 -19.287 1.00 15.82 C ATOM 2148 CG2 VAL B 107 7.411 -8.661 -20.404 1.00 16.98 C ATOM 2149 H VAL B 107 6.167 -6.902 -18.592 1.00 0.00 H ATOM 2150 N LEU B 108 4.960 -9.328 -16.568 1.00 10.67 N ATOM 2151 CA LEU B 108 4.359 -10.067 -15.459 1.00 11.80 C ATOM 2152 C LEU B 108 2.847 -9.905 -15.441 1.00 13.00 C ATOM 2153 O LEU B 108 2.111 -10.880 -15.242 1.00 15.04 O ATOM 2154 CB LEU B 108 4.955 -9.608 -14.130 1.00 10.52 C ATOM 2155 CG LEU B 108 6.425 -9.961 -13.925 1.00 10.68 C ATOM 2156 CD1 LEU B 108 6.909 -9.396 -12.593 1.00 12.90 C ATOM 2157 CD2 LEU B 108 6.617 -11.477 -13.975 1.00 10.74 C ATOM 2158 H LEU B 108 5.603 -8.533 -16.377 1.00 0.00 H ATOM 2159 N GLN B 109 2.363 -8.678 -15.632 1.00 13.50 N ATOM 2160 CA GLN B 109 0.923 -8.453 -15.632 1.00 13.42 C ATOM 2161 C GLN B 109 0.246 -9.252 -16.735 1.00 18.30 C ATOM 2162 O GLN B 109 -0.790 -9.882 -16.508 1.00 17.55 O ATOM 2163 CB GLN B 109 0.630 -6.963 -15.788 1.00 15.62 C ATOM 2164 CG GLN B 109 -0.841 -6.652 -16.068 1.00 16.56 C ATOM 2165 CD GLN B 109 -1.745 -7.119 -14.961 1.00 23.74 C ATOM 2166 OE1 GLN B 109 -1.356 -7.135 -13.793 1.00 29.22 O ATOM 2167 NE2 GLN B 109 -2.973 -7.485 -15.316 1.00 24.98 N ATOM 2168 HE22 GLN B 109 -3.256 -7.455 -16.316 1.00 0.00 H ATOM 2169 HE21 GLN B 109 -3.651 -7.802 -14.593 1.00 0.00 H ATOM 2170 H GLN B 109 3.013 -7.880 -15.781 1.00 0.00 H ATOM 2171 N GLN B 110 0.829 -9.253 -17.932 1.00 17.15 N ATOM 2172 CA GLN B 110 0.180 -9.904 -19.059 1.00 18.60 C ATOM 2173 C GLN B 110 0.293 -11.419 -18.972 1.00 18.59 C ATOM 2174 O GLN B 110 -0.592 -12.136 -19.456 1.00 21.85 O ATOM 2175 CB GLN B 110 0.783 -9.377 -20.362 1.00 22.48 C ATOM 2176 CG GLN B 110 0.469 -7.901 -20.585 1.00 28.05 C ATOM 2177 CD GLN B 110 1.018 -7.361 -21.892 1.00 35.76 C ATOM 2178 OE1 GLN B 110 1.804 -8.021 -22.577 1.00 44.42 O ATOM 2179 NE2 GLN B 110 0.606 -6.148 -22.244 1.00 29.57 N ATOM 2180 HE22 GLN B 110 -0.058 -5.627 -21.636 1.00 0.00 H ATOM 2181 HE21 GLN B 110 0.947 -5.719 -23.128 1.00 0.00 H ATOM 2182 H GLN B 110 1.750 -8.788 -18.061 1.00 0.00 H ATOM 2183 N THR B 111 1.354 -11.925 -18.342 1.00 16.63 N ATOM 2184 CA THR B 111 1.548 -13.367 -18.242 1.00 16.06 C ATOM 2185 C THR B 111 0.792 -13.950 -17.055 1.00 15.57 C ATOM 2186 O THR B 111 0.175 -15.017 -17.173 1.00 19.50 O ATOM 2187 CB THR B 111 3.042 -13.690 -18.129 1.00 18.27 C ATOM 2188 OG1 THR B 111 3.752 -13.058 -19.207 1.00 17.78 O ATOM 2189 CG2 THR B 111 3.277 -15.210 -18.165 1.00 18.18 C ATOM 2190 HG1 THR B 111 3.621 -12.078 -19.157 1.00 0.00 H ATOM 2191 H THR B 111 2.052 -11.283 -17.916 1.00 0.00 H ATOM 2192 N TYR B 112 0.807 -13.255 -15.911 1.00 15.13 N ATOM 2193 CA TYR B 112 0.343 -13.840 -14.661 1.00 15.60 C ATOM 2194 C TYR B 112 -0.712 -13.038 -13.910 1.00 16.86 C ATOM 2195 O TYR B 112 -1.285 -13.568 -12.949 1.00 18.39 O ATOM 2196 CB TYR B 112 1.541 -14.075 -13.727 1.00 16.19 C ATOM 2197 CG TYR B 112 2.485 -15.131 -14.248 1.00 16.01 C ATOM 2198 CD1 TYR B 112 2.051 -16.438 -14.410 1.00 19.39 C ATOM 2199 CD2 TYR B 112 3.789 -14.815 -14.617 1.00 17.30 C ATOM 2200 CE1 TYR B 112 2.887 -17.409 -14.897 1.00 21.74 C ATOM 2201 CE2 TYR B 112 4.643 -15.791 -15.105 1.00 23.57 C ATOM 2202 CZ TYR B 112 4.177 -17.085 -15.238 1.00 18.11 C ATOM 2203 OH TYR B 112 4.998 -18.071 -15.740 1.00 29.72 O ATOM 2204 HH TYR B 112 5.284 -17.826 -16.656 1.00 0.00 H ATOM 2205 H TYR B 112 1.158 -12.276 -15.915 1.00 0.00 H ATOM 2206 N GLY B 113 -0.982 -11.795 -14.292 1.00 16.74 N ATOM 2207 CA GLY B 113 -1.905 -10.972 -13.534 1.00 14.72 C ATOM 2208 C GLY B 113 -1.371 -10.467 -12.213 1.00 17.19 C ATOM 2209 O GLY B 113 -2.156 -10.152 -11.314 1.00 17.65 O ATOM 2210 H GLY B 113 -0.527 -11.408 -15.143 1.00 0.00 H ATOM 2211 N SER B 114 -0.048 -10.391 -12.068 1.00 15.52 N ATOM 2212 CA SER B 114 0.596 -9.862 -10.876 1.00 13.76 C ATOM 2213 C SER B 114 1.733 -8.948 -11.300 1.00 9.55 C ATOM 2214 O SER B 114 2.114 -8.901 -12.471 1.00 15.17 O ATOM 2215 CB SER B 114 1.145 -10.976 -9.975 1.00 14.20 C ATOM 2216 OG SER B 114 0.155 -11.943 -9.703 1.00 11.96 O ATOM 2217 HG SER B 114 0.535 -12.648 -9.121 1.00 0.00 H ATOM 2218 H SER B 114 0.554 -10.727 -12.847 1.00 0.00 H ATOM 2219 N THR B 115 2.280 -8.222 -10.325 1.00 10.81 N ATOM 2220 CA THR B 115 3.471 -7.410 -10.526 1.00 12.32 C ATOM 2221 C THR B 115 4.344 -7.524 -9.285 1.00 11.14 C ATOM 2222 O THR B 115 3.898 -7.990 -8.230 1.00 11.85 O ATOM 2223 CB THR B 115 3.144 -5.928 -10.789 1.00 12.15 C ATOM 2224 OG1 THR B 115 2.330 -5.416 -9.730 1.00 15.69 O ATOM 2225 CG2 THR B 115 2.409 -5.754 -12.106 1.00 15.63 C ATOM 2226 HG1 THR B 115 1.488 -5.934 -9.683 1.00 0.00 H ATOM 2227 H THR B 115 1.838 -8.236 -9.384 1.00 0.00 H ATOM 2228 N LEU B 116 5.599 -7.100 -9.417 1.00 9.89 N ATOM 2229 CA LEU B 116 6.513 -7.078 -8.280 1.00 11.69 C ATOM 2230 C LEU B 116 6.190 -5.919 -7.352 1.00 11.93 C ATOM 2231 O LEU B 116 5.948 -4.795 -7.802 1.00 12.01 O ATOM 2232 CB LEU B 116 7.967 -6.951 -8.748 1.00 10.44 C ATOM 2233 CG LEU B 116 8.530 -8.073 -9.611 1.00 9.31 C ATOM 2234 CD1 LEU B 116 9.925 -7.695 -10.073 1.00 11.58 C ATOM 2235 CD2 LEU B 116 8.574 -9.362 -8.815 1.00 12.56 C ATOM 2236 H LEU B 116 5.934 -6.779 -10.348 1.00 0.00 H ATOM 2237 N LYS B 117 6.213 -6.201 -6.045 1.00 11.18 N ATOM 2238 CA LYS B 117 6.091 -5.152 -5.033 1.00 10.27 C ATOM 2239 C LYS B 117 7.366 -4.328 -4.915 1.00 13.20 C ATOM 2240 O LYS B 117 7.298 -3.133 -4.602 1.00 16.58 O ATOM 2241 CB LYS B 117 5.767 -5.761 -3.671 1.00 14.12 C ATOM 2242 CG LYS B 117 4.337 -6.221 -3.496 1.00 16.04 C ATOM 2243 CD LYS B 117 4.088 -6.665 -2.066 1.00 15.55 C ATOM 2244 CE LYS B 117 2.610 -6.902 -1.837 1.00 20.12 C ATOM 2245 NZ LYS B 117 2.328 -7.419 -0.459 1.00 22.66 N ATOM 2246 HZ1 LYS B 117 2.826 -8.321 -0.320 1.00 0.00 H ATOM 2247 HZ2 LYS B 117 2.658 -6.727 0.244 1.00 0.00 H ATOM 2248 HZ3 LYS B 117 1.304 -7.566 -0.348 1.00 0.00 H ATOM 2249 H LYS B 117 6.320 -7.190 -5.741 1.00 0.00 H ATOM 2250 N VAL B 118 8.527 -4.951 -5.140 1.00 14.24 N ATOM 2251 CA VAL B 118 9.843 -4.321 -4.989 1.00 16.06 C ATOM 2252 C VAL B 118 9.930 -3.551 -3.669 1.00 18.30 C ATOM 2253 O VAL B 118 10.345 -2.385 -3.639 1.00 21.99 O ATOM 2254 CB VAL B 118 10.184 -3.398 -6.184 1.00 14.20 C ATOM 2255 CG1 VAL B 118 11.700 -3.147 -6.254 1.00 15.34 C ATOM 2256 CG2 VAL B 118 9.724 -3.990 -7.494 1.00 13.74 C ATOM 2257 H VAL B 118 8.495 -5.946 -5.441 1.00 0.00 H ATOM 2258 N THR B 119 9.546 -4.185 -2.564 1.00 16.65 N ATOM 2259 CA THR B 119 9.715 -3.526 -1.270 1.00 26.06 C ATOM 2260 C THR B 119 10.779 -4.243 -0.450 1.00 43.66 C ATOM 2261 O THR B 119 11.951 -4.249 -0.843 1.00 47.29 O ATOM 2262 CB THR B 119 8.396 -3.450 -0.476 1.00 30.50 C ATOM 2263 OG1 THR B 119 7.705 -4.699 -0.561 1.00 24.19 O ATOM 2264 CG2 THR B 119 7.503 -2.345 -1.028 1.00 38.00 C ATOM 2265 OXT THR B 119 10.508 -4.817 0.606 1.00 47.82 O ATOM 2266 HG1 THR B 119 8.274 -5.416 -0.183 1.00 0.00 H ATOM 2267 H THR B 119 9.131 -5.137 -2.620 1.00 0.00 H TER 2268 THR B 119 HETATM 2269 O HOH 1 -2.285 -43.917 -15.238 1.00 44.41 O HETATM 2270 O HOH 2 -9.888 -16.990 -3.992 1.00 46.94 O HETATM 2271 O HOH 3 -10.720 -20.353 -10.509 1.00 50.49 O HETATM 2272 O HOH 4 -5.567 -51.519 -8.342 1.00 47.67 O HETATM 2273 O HOH 5 -17.985 -38.163 -19.357 1.00 33.03 O HETATM 2274 O HOH 6 1.397 -36.407 -2.831 1.00 31.37 O HETATM 2275 O HOH 7 5.333 -24.031 -18.908 1.00 40.01 O HETATM 2276 O HOH 8 -6.884 -20.601 -16.105 1.00 36.80 O HETATM 2277 O HOH 9 7.735 -40.716 -11.764 1.00 29.94 O HETATM 2278 O HOH 10 -15.852 -21.200 -14.088 1.00 39.39 O HETATM 2279 O HOH 11 -8.100 -17.919 -8.404 1.00 27.54 O HETATM 2280 O HOH 12 -13.729 -19.849 -9.196 1.00 43.57 O HETATM 2281 O HOH 13 7.536 -46.621 -5.474 1.00 40.37 O HETATM 2282 O HOH 14 -13.022 -24.105 -15.203 1.00 27.59 O HETATM 2283 O HOH 15 1.808 -28.294 0.488 1.00 23.51 O HETATM 2284 O HOH 16 2.778 -34.070 0.659 1.00 45.81 O HETATM 2285 O HOH 17 3.362 -34.015 -3.071 1.00 24.04 O HETATM 2286 O HOH 18 4.742 -43.422 7.149 1.00 45.24 O HETATM 2287 O HOH 19 8.067 -13.693 -1.295 1.00 21.00 O HETATM 2288 O HOH 20 9.515 -50.835 -3.642 1.00 40.47 O HETATM 2289 O HOH 21 6.687 -33.933 -9.650 1.00 28.81 O HETATM 2290 O HOH 22 -11.130 -20.969 -13.100 1.00 29.97 O HETATM 2291 O HOH 23 -8.050 -40.680 0.384 1.00 24.74 O HETATM 2292 O HOH 24 3.463 -52.379 -9.819 1.00 23.85 O HETATM 2293 O HOH 25 1.649 -26.771 3.261 1.00 34.58 O HETATM 2294 O HOH 26 2.402 -22.448 -22.253 1.00 45.23 O HETATM 2295 O HOH 27 3.623 -42.512 -18.523 1.00 35.62 O HETATM 2296 O HOH 28 10.107 -23.121 0.082 1.00 40.22 O HETATM 2297 O HOH 29 -8.414 -47.027 -13.969 1.00 33.49 O HETATM 2298 O HOH 30 7.815 -50.910 5.522 1.00 32.11 O HETATM 2299 O HOH 31 4.175 -22.419 0.063 1.00 24.29 O HETATM 2300 O HOH 32 -4.065 -13.826 1.028 1.00 26.86 O HETATM 2301 O HOH 33 1.868 -43.850 -9.563 1.00 30.40 O HETATM 2302 O HOH 34 2.500 -49.809 -3.072 1.00 29.01 O HETATM 2303 O HOH 35 -16.760 -41.352 -8.687 1.00 34.11 O HETATM 2304 O HOH 36 -11.794 -39.501 -7.838 1.00 11.31 O HETATM 2305 O HOH 37 -7.469 -17.673 -5.744 1.00 26.46 O HETATM 2306 O HOH 38 -7.590 -31.334 -25.778 1.00 35.29 O HETATM 2307 O HOH 39 -14.970 -31.903 -25.242 1.00 14.71 O HETATM 2308 O HOH 40 0.660 -10.867 -2.395 1.00 31.82 O HETATM 2309 O HOH 41 3.580 -43.629 -16.334 1.00 40.49 O HETATM 2310 O HOH 42 9.165 -7.144 -2.610 1.00 14.80 O HETATM 2311 O HOH 43 8.015 -44.400 -14.061 1.00 45.10 O HETATM 2312 O HOH 44 0.416 -46.013 -10.092 1.00 36.74 O HETATM 2313 O HOH 45 10.827 -31.605 -0.236 1.00 15.58 O HETATM 2314 O HOH 46 -9.216 -21.422 -2.017 1.00 39.60 O HETATM 2315 O HOH 47 3.200 -38.980 -20.208 1.00 36.69 O HETATM 2316 O HOH 48 -14.380 -35.876 -19.018 1.00 22.20 O HETATM 2317 O HOH 49 -12.041 -19.264 -2.348 1.00 37.99 O HETATM 2318 O HOH 50 -17.704 -35.040 -6.943 1.00 19.15 O HETATM 2319 O HOH 51 -22.321 -31.765 -21.327 1.00 29.23 O HETATM 2320 O HOH 52 1.750 -42.670 -14.270 1.00 34.55 O HETATM 2321 O HOH 53 8.066 -21.033 -3.095 1.00 22.87 O HETATM 2322 O HOH 54 4.559 -43.330 -1.822 1.00 29.76 O HETATM 2323 O HOH 55 -11.860 -37.728 4.121 1.00 26.83 O HETATM 2324 O HOH 56 -4.141 -40.164 0.632 1.00 28.55 O HETATM 2325 O HOH 57 -0.433 -22.283 -15.509 1.00 33.68 O HETATM 2326 O HOH 58 -3.367 -35.702 -23.392 1.00 30.69 O HETATM 2327 O HOH 59 -4.061 -25.317 -20.908 1.00 17.90 O HETATM 2328 O HOH 60 -0.893 -35.302 -2.832 1.00 19.23 O HETATM 2329 O HOH 61 -20.408 -36.232 -13.546 1.00 28.79 O HETATM 2330 O HOH 62 -2.030 -41.263 -2.788 1.00 28.20 O HETATM 2331 O HOH 63 -11.296 -34.272 -20.990 1.00 23.03 O HETATM 2332 O HOH 64 -9.055 -24.763 -21.586 1.00 15.08 O HETATM 2333 O HOH 65 -2.483 -46.003 -1.142 1.00 26.89 O HETATM 2334 O HOH 66 -3.395 -42.163 -18.937 1.00 26.85 O HETATM 2335 O HOH 67 3.802 -46.619 -4.250 1.00 26.38 O HETATM 2336 O HOH 68 -0.995 -38.047 -4.077 1.00 15.22 O HETATM 2337 O HOH 69 12.732 -26.883 -7.490 1.00 28.41 O HETATM 2338 O HOH 70 -9.740 -27.182 -22.712 1.00 16.02 O HETATM 2339 O HOH 71 10.874 -28.962 -12.993 1.00 28.43 O HETATM 2340 O HOH 72 -10.201 -46.264 -5.798 1.00 28.73 O HETATM 2341 O HOH 73 -16.875 -23.514 -10.358 1.00 38.07 O HETATM 2342 O HOH 74 11.629 -47.045 -0.672 1.00 28.00 O HETATM 2343 O HOH 75 14.771 -28.403 -3.403 1.00 23.71 O HETATM 2344 O HOH 76 -15.282 -24.805 -7.889 1.00 20.50 O HETATM 2345 O HOH 77 8.722 -33.502 -7.696 1.00 27.26 O HETATM 2346 O HOH 78 -16.468 -47.066 1.291 1.00 15.38 O HETATM 2347 O HOH 79 -14.930 -37.892 -16.938 1.00 31.06 O HETATM 2348 O HOH 80 -16.045 -28.695 -18.386 1.00 35.59 O HETATM 2349 O HOH 81 13.994 -25.695 -3.927 1.00 29.50 O HETATM 2350 O HOH 82 3.857 -43.412 0.957 1.00 23.98 O HETATM 2351 O HOH 83 9.571 -30.756 -7.461 1.00 18.88 O HETATM 2352 O HOH 84 6.059 -17.343 2.412 1.00 30.15 O HETATM 2353 O HOH 85 6.783 -32.155 -1.015 1.00 18.90 O HETATM 2354 O HOH 86 -5.182 -14.551 -2.919 1.00 32.08 O HETATM 2355 O HOH 87 0.310 -42.165 -20.935 1.00 37.27 O HETATM 2356 O HOH 88 -4.624 -19.920 3.015 1.00 15.77 O HETATM 2357 O HOH 89 -21.429 -39.437 -17.611 1.00 33.17 O HETATM 2358 O HOH 90 -13.646 -22.506 -6.938 1.00 24.41 O HETATM 2359 O HOH 91 -6.705 -35.865 0.343 1.00 17.26 O HETATM 2360 O HOH 92 -2.249 -43.263 -0.524 1.00 33.63 O HETATM 2361 O HOH 93 13.508 -22.682 -8.632 1.00 32.01 O HETATM 2362 O HOH 94 -10.314 -45.676 -12.935 1.00 24.48 O HETATM 2363 O HOH 95 -5.018 -30.213 -0.192 1.00 21.78 O HETATM 2364 O HOH 96 10.278 -10.259 -1.104 1.00 23.43 O HETATM 2365 O HOH 97 -19.333 -29.155 -20.541 1.00 20.07 O HETATM 2366 O HOH 98 -1.570 -9.525 -3.733 1.00 21.67 O HETATM 2367 O HOH 99 2.796 -48.788 0.848 1.00 39.97 O HETATM 2368 O HOH 100 -7.177 -47.242 -1.574 1.00 43.92 O HETATM 2369 O HOH 101 -8.539 -19.341 -20.548 1.00 43.46 O HETATM 2370 O HOH 102 1.060 -28.744 -19.908 1.00 17.40 O HETATM 2371 O HOH 103 -7.717 -47.805 1.490 1.00 30.22 O HETATM 2372 O HOH 104 -8.609 -34.532 -25.622 1.00 23.59 O HETATM 2373 O HOH 105 8.951 -26.840 -19.256 1.00 40.78 O HETATM 2374 O HOH 106 -1.397 -30.454 -23.314 1.00 29.19 O HETATM 2375 O HOH 107 9.541 -34.178 -15.203 1.00 33.28 O HETATM 2376 O HOH 108 1.905 -18.813 -19.496 1.00 41.78 O HETATM 2377 O HOH 109 -22.553 -32.597 -16.484 1.00 31.37 O HETATM 2378 O HOH 110 -7.436 -16.960 -12.284 1.00 44.94 O HETATM 2379 O HOH 111 -12.468 -42.325 -7.562 1.00 18.60 O HETATM 2380 O HOH 112 -20.978 -33.396 -13.738 1.00 19.85 O HETATM 2381 O HOH 113 2.979 -31.384 2.548 1.00 53.11 O HETATM 2382 O HOH 114 -9.981 -46.416 5.245 1.00 55.57 O HETATM 2383 O HOH 115 -22.255 -36.569 -20.041 1.00 44.32 O HETATM 2384 O HOH 116 6.095 -13.821 1.338 1.00 23.73 O HETATM 2385 O HOH 117 -16.986 -21.797 -16.126 1.00 19.01 O HETATM 2386 O HOH 118 0.808 -31.911 -23.340 1.00 30.87 O HETATM 2387 O HOH 119 -11.698 -23.158 -1.951 1.00 36.04 O HETATM 2388 O HOH 120 -10.384 -24.294 0.562 1.00 44.68 O HETATM 2389 O HOH 121 -15.630 -35.173 -21.797 1.00 18.15 O HETATM 2390 O HOH 122 2.906 -37.527 -0.750 1.00 28.70 O HETATM 2391 O HOH 123 -0.822 -49.833 -0.156 1.00 46.72 O HETATM 2392 O HOH 124 8.815 -36.389 -17.760 1.00 39.21 O HETATM 2393 O HOH 125 -10.730 -20.078 -17.547 1.00 28.97 O HETATM 2394 O HOH 126 4.411 -46.202 -1.473 1.00 30.68 O HETATM 2395 O HOH 127 -1.295 -38.393 -20.922 1.00 35.33 O HETATM 2396 O HOH 128 7.141 -40.454 -4.529 1.00 31.27 O HETATM 2397 O HOH 129 -19.679 -26.432 -14.176 1.00 46.40 O HETATM 2398 O HOH 130 10.982 -24.025 -11.492 1.00 18.27 O HETATM 2399 O HOH 131 3.873 -23.687 3.822 1.00 43.52 O HETATM 2400 O HOH 132 11.290 -13.726 -3.802 1.00 18.06 O HETATM 2401 O HOH 133 6.168 -49.322 -9.711 1.00 24.20 O HETATM 2402 O HOH 134 -4.362 -3.257 -9.070 1.00 47.03 O HETATM 2403 O HOH 135 -17.131 -41.779 -11.253 1.00 36.98 O HETATM 2404 O HOH 136 -9.127 -26.299 0.642 1.00 33.68 O HETATM 2405 O HOH 137 3.342 -17.453 3.547 1.00 29.75 O HETATM 2406 O HOH 138 -18.621 -24.482 -13.323 1.00 50.74 O HETATM 2407 O HOH 139 2.754 -53.125 -5.580 1.00 37.53 O HETATM 2408 O HOH 140 -21.063 -29.318 -18.371 1.00 30.13 O HETATM 2409 O HOH 141 -12.466 -36.726 -19.886 1.00 57.29 O HETATM 2410 O HOH 142 -11.002 -34.872 2.918 1.00 34.78 O HETATM 2411 O HOH 143 -20.198 -41.707 -11.097 1.00 36.78 O HETATM 2412 O HOH 144 -5.178 -15.643 -5.430 1.00 31.05 O HETATM 2413 O HOH 145 -6.191 -42.512 -19.890 1.00 45.08 O HETATM 2414 O HOH 146 12.530 -25.870 -10.266 1.00 28.36 O HETATM 2415 O HOH 147 -7.521 -36.930 -25.963 1.00 39.31 O HETATM 2416 O HOH 148 6.778 -43.013 -3.166 1.00 47.63 O HETATM 2417 O HOH 149 -9.884 -46.292 -10.373 1.00 30.70 O HETATM 2418 O HOH 150 3.472 -10.444 2.920 1.00 34.14 O HETATM 2419 O HOH 151 -6.451 -38.515 0.990 1.00 26.13 O HETATM 2420 O HOH 152 -14.832 -22.028 -17.536 1.00 24.65 O HETATM 2421 O HOH 153 -1.313 -28.923 -21.483 1.00 21.37 O HETATM 2422 O HOH 154 1.356 -39.600 0.770 1.00 47.13 O HETATM 2423 O HOH 155 -3.382 -21.090 -19.099 1.00 34.47 O HETATM 2424 O HOH 156 -11.159 -44.762 -8.135 1.00 27.30 O HETATM 2425 O HOH 157 -13.671 -22.702 -4.151 1.00 43.10 O HETATM 2426 O HOH 158 3.868 -24.633 -21.119 1.00 36.62 O HETATM 2427 O HOH 159 5.698 -52.874 2.485 1.00 47.99 O HETATM 2428 O HOH 160 1.210 -10.534 2.303 1.00 36.93 O HETATM 2429 O HOH 161 -4.181 -34.625 0.423 1.00 24.21 O HETATM 2430 O HOH 162 -1.700 -38.847 0.060 1.00 42.91 O HETATM 2431 O HOH 163 -3.016 -11.622 2.080 1.00 34.60 O HETATM 2432 O HOH 164 10.411 -15.099 -1.670 1.00 26.04 O HETATM 2433 O HOH 165 -9.556 -20.305 -15.313 1.00 35.47 O HETATM 2434 O HOH 166 -12.788 -42.246 7.311 1.00 36.70 O HETATM 2435 O HOH 167 8.503 -14.309 2.925 1.00 39.43 O HETATM 2436 O HOH 168 -6.494 -28.319 -27.020 1.00 30.70 O HETATM 2437 O HOH 169 -12.004 -38.739 6.477 1.00 40.04 O HETATM 2438 O HOH 170 5.148 -27.547 5.452 1.00 44.78 O HETATM 2439 O HOH 171 -19.638 -26.120 -16.785 1.00 46.44 O HETATM 2440 O HOH 172 8.880 -20.470 -0.913 1.00 55.99 O HETATM 2441 O HOH 173 -11.991 -26.376 -23.885 1.00 26.91 O HETATM 2442 O HOH 174 -2.329 -26.826 -22.798 1.00 31.18 O HETATM 2443 O HOH 175 -22.529 -33.043 -11.260 1.00 39.54 O HETATM 2444 O HOH 176 2.209 -30.910 -21.202 1.00 35.17 O HETATM 2445 O HOH 177 -0.612 -42.871 1.530 1.00 39.03 O HETATM 2446 O HOH 178 -6.303 -24.632 -22.142 1.00 21.15 O HETATM 2447 O HOH 179 -8.370 -37.751 4.047 1.00 32.93 O HETATM 2448 O HOH 180 -7.859 -16.572 2.057 1.00 22.47 O HETATM 2449 O HOH 181 -1.830 -38.192 -23.980 1.00 46.40 O HETATM 2450 O HOH 182 -4.021 -10.465 -3.417 1.00 43.75 O HETATM 2451 O HOH 183 -12.620 -47.128 -13.390 1.00 32.86 O HETATM 2452 O HOH 184 -4.895 -32.095 2.019 1.00 23.56 O HETATM 2453 O HOH 185 -1.617 -3.530 -8.701 1.00 37.72 O HETATM 2454 O HOH 186 8.100 -52.642 3.530 1.00 33.74 O HETATM 2455 O HOH 187 -7.060 -14.585 0.071 1.00 29.53 O HETATM 2456 O HOH 188 2.257 -46.500 -0.013 1.00 37.11 O HETATM 2457 O HOH 189 -6.122 -14.019 -7.727 1.00 36.91 O HETATM 2458 O HOH 190 -15.113 -43.138 -8.238 1.00 31.12 O HETATM 2459 O HOH 191 13.908 -17.282 -1.057 1.00 41.10 O HETATM 2460 O HOH 192 3.673 -53.990 -1.691 1.00 31.91 O HETATM 2461 O HOH 193 -5.532 -13.469 -10.378 1.00 37.78 O HETATM 2462 O HOH 194 -1.767 -36.031 -0.208 1.00 20.67 O HETATM 2463 O HOH 195 6.764 -22.235 1.303 1.00 31.78 O HETATM 2464 O HOH 196 5.784 -19.946 3.343 1.00 43.80 O HETATM 2465 O HOH 197 9.203 -31.494 -16.289 1.00 37.14 O HETATM 2466 O HOH 198 15.526 -28.000 -7.064 1.00 46.49 O HETATM 2467 O HOH 199 -8.365 -34.930 2.429 1.00 31.45 O HETATM 2468 O HOH 200 -3.019 -22.697 -20.825 1.00 32.00 O HETATM 2469 O HOH 201 -7.126 -11.819 0.314 1.00 38.49 O HETATM 2470 O HOH 202 4.946 -30.868 -21.676 1.00 36.70 O HETATM 2471 O HOH 203 2.027 -26.685 -21.473 1.00 24.65 O HETATM 2472 O HOH 204 0.092 -25.271 -22.942 1.00 37.09 O HETATM 2473 O HOH 205 -3.727 -26.039 -24.725 1.00 39.75 O HETATM 2474 O HOH 206 -6.248 -25.139 -24.634 1.00 34.21 O HETATM 2475 O HOH 207 22.232 -1.417 -31.912 1.00 30.72 O HETATM 2476 O HOH 208 32.843 -7.298 -13.343 1.00 33.44 O HETATM 2477 O HOH 209 24.403 -4.860 -28.926 1.00 29.50 O HETATM 2478 O HOH 210 17.865 -23.344 -17.010 1.00 33.09 O HETATM 2479 O HOH 211 28.331 -4.937 -30.131 1.00 35.43 O HETATM 2480 O HOH 212 11.157 -17.998 -2.192 1.00 35.95 O HETATM 2481 O HOH 213 6.858 -17.761 -17.417 1.00 24.66 O HETATM 2482 O HOH 214 10.396 -14.210 -25.414 1.00 41.93 O HETATM 2483 O HOH 215 13.302 8.043 -13.033 1.00 42.19 O HETATM 2484 O HOH 216 30.810 -15.592 -7.737 1.00 35.46 O HETATM 2485 O HOH 217 34.320 5.010 -15.508 1.00 28.75 O HETATM 2486 O HOH 218 9.039 -7.726 -5.233 1.00 11.68 O HETATM 2487 O HOH 219 36.385 -19.741 -28.804 1.00 24.17 O HETATM 2488 O HOH 220 13.272 -18.565 -22.461 1.00 42.66 O HETATM 2489 O HOH 221 20.133 3.643 -3.656 1.00 30.74 O HETATM 2490 O HOH 222 23.137 10.123 -24.035 1.00 38.13 O HETATM 2491 O HOH 223 35.342 -23.943 -23.180 1.00 23.79 O HETATM 2492 O HOH 224 24.369 1.945 -31.595 1.00 21.73 O HETATM 2493 O HOH 225 34.968 -6.629 -27.980 1.00 34.79 O HETATM 2494 O HOH 226 7.735 -6.869 0.916 1.00 31.93 O HETATM 2495 O HOH 227 -0.269 -5.804 -9.576 1.00 21.97 O HETATM 2496 O HOH 228 20.703 1.687 -29.765 1.00 25.10 O HETATM 2497 O HOH 229 13.601 -19.918 -8.163 1.00 26.04 O HETATM 2498 O HOH 230 3.283 0.545 -18.365 1.00 39.24 O HETATM 2499 O HOH 231 15.980 4.549 -29.316 1.00 30.77 O HETATM 2500 O HOH 232 28.762 -19.096 -16.676 1.00 26.13 O HETATM 2501 O HOH 233 27.273 -4.265 -4.195 1.00 27.95 O HETATM 2502 O HOH 234 21.172 -15.908 -13.837 1.00 16.10 O HETATM 2503 O HOH 235 18.540 -14.810 -24.138 1.00 28.56 O HETATM 2504 O HOH 236 33.489 -0.024 -17.584 1.00 41.12 O HETATM 2505 O HOH 237 14.660 0.834 -28.355 1.00 27.64 O HETATM 2506 O HOH 238 18.164 -21.511 -27.201 1.00 37.65 O HETATM 2507 O HOH 239 5.036 -2.014 -3.696 1.00 22.50 O HETATM 2508 O HOH 240 16.628 -18.784 -7.879 1.00 21.50 O HETATM 2509 O HOH 241 26.239 0.943 -21.162 1.00 9.78 O HETATM 2510 O HOH 242 17.350 2.319 -30.896 1.00 23.03 O HETATM 2511 O HOH 243 14.321 -10.934 -2.831 1.00 18.57 O HETATM 2512 O HOH 244 21.239 -20.211 -10.218 1.00 39.99 O HETATM 2513 O HOH 245 27.749 -17.724 -12.915 1.00 17.12 O HETATM 2514 O HOH 246 14.122 4.986 -10.529 1.00 21.38 O HETATM 2515 O HOH 247 30.071 -16.000 -24.768 1.00 29.63 O HETATM 2516 O HOH 248 9.723 4.323 -17.676 1.00 27.77 O HETATM 2517 O HOH 249 28.645 -6.698 -6.220 1.00 27.66 O HETATM 2518 O HOH 250 17.151 -19.052 -13.845 1.00 15.21 O HETATM 2519 O HOH 251 19.781 -16.069 -20.806 1.00 15.36 O HETATM 2520 O HOH 252 5.842 -21.472 -20.034 1.00 38.80 O HETATM 2521 O HOH 253 21.533 6.794 -21.899 1.00 13.90 O HETATM 2522 O HOH 254 3.591 -3.451 -7.954 1.00 20.73 O HETATM 2523 O HOH 255 12.178 5.723 -17.747 1.00 21.75 O HETATM 2524 O HOH 256 14.393 -18.592 -19.984 1.00 27.80 O HETATM 2525 O HOH 257 18.674 12.081 -9.422 1.00 25.45 O HETATM 2526 O HOH 258 -1.977 -16.200 -13.393 1.00 24.17 O HETATM 2527 O HOH 259 26.327 5.122 -11.158 1.00 28.85 O HETATM 2528 O HOH 260 16.484 -2.459 -3.419 1.00 16.68 O HETATM 2529 O HOH 261 32.290 -12.859 -11.082 1.00 38.25 O HETATM 2530 O HOH 262 34.227 -11.441 -20.389 1.00 26.06 O HETATM 2531 O HOH 263 20.718 -19.098 -22.048 1.00 17.61 O HETATM 2532 O HOH 264 19.203 -0.469 -28.894 1.00 23.27 O HETATM 2533 O HOH 265 21.233 8.972 -8.402 1.00 35.06 O HETATM 2534 O HOH 266 30.540 -12.704 -17.735 1.00 37.40 O HETATM 2535 O HOH 267 20.753 -10.584 -22.116 1.00 12.01 O HETATM 2536 O HOH 268 20.644 -4.999 -26.979 1.00 20.36 O HETATM 2537 O HOH 269 -3.179 -11.091 -17.269 1.00 32.75 O HETATM 2538 O HOH 270 27.625 -2.565 -29.404 1.00 31.98 O HETATM 2539 O HOH 271 -4.938 -10.287 -11.244 1.00 27.39 O HETATM 2540 O HOH 272 17.614 -4.287 -1.476 1.00 22.65 O HETATM 2541 O HOH 273 3.935 -6.187 1.460 1.00 38.02 O HETATM 2542 O HOH 274 24.002 -12.357 -2.192 1.00 25.54 O HETATM 2543 O HOH 275 31.432 6.386 -17.865 1.00 37.65 O HETATM 2544 O HOH 276 10.715 -8.038 -22.429 1.00 14.05 O HETATM 2545 O HOH 277 27.766 -18.298 -6.167 1.00 37.14 O HETATM 2546 O HOH 278 19.757 -12.964 -21.071 1.00 14.83 O HETATM 2547 O HOH 279 29.795 5.399 -9.820 1.00 39.48 O HETATM 2548 O HOH 280 29.255 -9.840 -28.443 1.00 46.91 O HETATM 2549 O HOH 281 25.117 9.000 -14.112 1.00 35.83 O HETATM 2550 O HOH 282 23.137 -12.045 -21.907 1.00 21.86 O HETATM 2551 O HOH 283 11.574 3.690 -6.873 1.00 33.11 O HETATM 2552 O HOH 284 32.106 -5.254 -9.637 1.00 18.68 O HETATM 2553 O HOH 285 10.204 -20.621 -7.410 1.00 20.87 O HETATM 2554 O HOH 286 30.788 -11.603 -12.991 1.00 19.74 O HETATM 2555 O HOH 287 23.629 -0.095 -2.529 1.00 28.00 O HETATM 2556 O HOH 288 10.541 -21.553 -9.938 1.00 19.33 O HETATM 2557 O HOH 289 29.384 -11.002 -5.734 1.00 30.43 O HETATM 2558 O HOH 290 18.463 -7.917 -4.031 1.00 11.36 O HETATM 2559 O HOH 291 8.460 -20.108 -20.743 1.00 37.69 O HETATM 2560 O HOH 292 32.349 1.508 -25.479 1.00 37.98 O HETATM 2561 O HOH 293 26.400 -5.721 -2.026 1.00 18.37 O HETATM 2562 O HOH 294 25.800 -21.799 -12.470 1.00 46.82 O HETATM 2563 O HOH 295 28.421 -16.155 -22.662 1.00 28.64 O HETATM 2564 O HOH 296 32.881 -15.015 -17.793 1.00 38.67 O HETATM 2565 O HOH 297 14.207 -13.497 -3.871 1.00 14.66 O HETATM 2566 O HOH 298 28.438 -12.331 -3.339 1.00 27.34 O HETATM 2567 O HOH 299 -0.027 -16.450 -19.637 1.00 41.62 O HETATM 2568 O HOH 300 28.697 -21.138 -20.437 1.00 23.41 O HETATM 2569 O HOH 301 23.815 -8.285 -28.004 1.00 35.47 O HETATM 2570 O HOH 302 34.869 -12.956 -29.738 1.00 29.82 O HETATM 2571 O HOH 303 25.799 -15.009 -22.862 1.00 23.84 O HETATM 2572 O HOH 304 14.068 -16.583 -24.410 1.00 44.36 O HETATM 2573 O HOH 305 9.837 0.174 -20.451 1.00 18.67 O HETATM 2574 O HOH 306 32.269 -6.844 -31.932 1.00 47.36 O HETATM 2575 O HOH 307 31.536 8.418 -16.786 1.00 45.16 O HETATM 2576 O HOH 308 30.816 0.222 -22.900 1.00 34.17 O HETATM 2577 O HOH 309 40.755 -19.041 -28.330 1.00 51.15 O HETATM 2578 O HOH 310 11.048 2.477 -3.388 1.00 36.82 O HETATM 2579 O HOH 311 31.778 -12.653 -8.583 1.00 39.72 O HETATM 2580 O HOH 312 22.170 -17.770 -7.962 1.00 22.33 O HETATM 2581 O HOH 313 8.026 -13.176 -22.226 1.00 33.64 O HETATM 2582 O HOH 314 10.475 -1.128 -22.858 1.00 18.98 O HETATM 2583 O HOH 315 13.324 -9.552 -26.375 1.00 18.78 O HETATM 2584 O HOH 316 6.849 -5.284 -21.513 1.00 21.93 O HETATM 2585 O HOH 317 25.364 -16.818 -6.114 1.00 23.96 O HETATM 2586 O HOH 318 14.312 7.193 -8.992 1.00 35.52 O HETATM 2587 O HOH 319 13.945 -2.964 -2.593 1.00 27.28 O HETATM 2588 O HOH 320 25.880 -7.632 -30.799 1.00 44.10 O HETATM 2589 O HOH 321 19.826 -18.833 -14.046 1.00 16.92 O HETATM 2590 O HOH 322 32.853 -4.380 -20.951 1.00 22.40 O HETATM 2591 O HOH 323 15.717 -15.214 -25.094 1.00 40.64 O HETATM 2592 O HOH 324 3.967 -10.034 -22.114 1.00 33.81 O HETATM 2593 O HOH 325 32.165 -19.384 -17.332 1.00 32.73 O HETATM 2594 O HOH 326 3.384 -19.394 -17.890 1.00 30.49 O HETATM 2595 O HOH 327 13.008 -21.470 -11.961 1.00 43.17 O HETATM 2596 O HOH 328 24.751 10.892 -17.778 1.00 48.04 O HETATM 2597 O HOH 329 6.001 -0.773 -10.885 1.00 21.65 O HETATM 2598 O HOH 330 29.133 6.682 -19.767 1.00 27.43 O HETATM 2599 O HOH 331 13.948 -7.765 -0.243 1.00 33.09 O HETATM 2600 O HOH 332 23.563 5.288 -10.087 1.00 28.77 O HETATM 2601 O HOH 333 37.400 -10.371 -28.465 1.00 46.74 O HETATM 2602 O HOH 334 36.125 -7.085 -19.248 1.00 40.34 O HETATM 2603 O HOH 335 1.516 -3.575 -23.569 1.00 32.64 O HETATM 2604 O HOH 336 -5.224 -8.930 -13.871 1.00 28.46 O HETATM 2605 O HOH 337 36.602 -15.641 -20.503 1.00 43.11 O HETATM 2606 O HOH 338 35.196 -17.615 -21.277 1.00 29.68 O HETATM 2607 O HOH 339 21.970 1.037 -0.466 1.00 22.93 O HETATM 2608 O HOH 340 0.200 -9.578 0.049 1.00 34.60 O HETATM 2609 O HOH 341 10.475 7.456 -15.418 1.00 41.99 O HETATM 2610 O HOH 342 -3.421 -6.660 -18.261 1.00 40.53 O HETATM 2611 O HOH 343 27.728 10.935 -21.790 1.00 31.06 O HETATM 2612 O HOH 344 17.312 1.931 0.155 1.00 37.57 O HETATM 2613 O HOH 345 -0.614 -4.114 -13.753 1.00 31.33 O HETATM 2614 O HOH 346 2.058 -3.677 -15.391 1.00 29.87 O HETATM 2615 O HOH 347 23.523 7.519 -10.749 1.00 43.77 O HETATM 2616 O HOH 348 19.446 2.571 -0.860 1.00 46.39 O HETATM 2617 O HOH 349 26.125 2.545 -7.736 1.00 28.42 O HETATM 2618 O HOH 350 9.745 -11.546 -25.455 1.00 40.44 O HETATM 2619 O HOH 351 28.540 -0.421 -31.177 1.00 35.54 O HETATM 2620 O HOH 352 14.970 -5.272 -0.281 1.00 35.50 O HETATM 2621 O HOH 353 33.674 -10.130 -16.223 1.00 26.86 O HETATM 2622 O HOH 354 22.154 -14.997 -22.780 1.00 26.55 O HETATM 2623 O HOH 355 13.395 2.469 -1.288 1.00 43.33 O HETATM 2624 O HOH 356 23.048 11.467 -15.620 1.00 33.70 O HETATM 2625 O HOH 357 38.336 -23.079 -23.447 1.00 30.07 O HETATM 2626 O HOH 358 6.663 -14.525 -20.082 1.00 30.35 O HETATM 2627 O HOH 359 27.842 -16.419 -26.385 1.00 36.27 O HETATM 2628 O HOH 360 9.059 2.787 -19.942 1.00 26.78 O HETATM 2629 O HOH 361 17.514 6.955 -3.569 1.00 35.76 O HETATM 2630 O HOH 362 16.300 0.282 -2.833 1.00 24.64 O HETATM 2631 O HOH 363 10.562 -8.225 0.803 1.00 31.16 O HETATM 2632 O HOH 364 16.780 -21.785 -13.791 1.00 34.26 O HETATM 2633 O HOH 365 17.757 2.657 -3.682 1.00 32.67 O HETATM 2634 O HOH 366 17.127 -21.062 -24.900 1.00 54.42 O HETATM 2635 O HOH 367 23.687 9.975 -8.774 1.00 41.49 O HETATM 2636 O HOH 368 7.328 -1.041 -20.699 1.00 14.56 O HETATM 2637 O HOH 369 34.811 -6.450 -21.700 1.00 33.03 O HETATM 2638 O HOH 370 32.620 -2.587 -9.624 1.00 27.84 O HETATM 2639 O HOH 371 17.795 -16.767 -6.410 1.00 24.88 O HETATM 2640 O HOH 372 35.284 -20.119 -20.752 1.00 37.64 O HETATM 2641 O HOH 373 19.780 -23.802 -27.428 1.00 19.34 O HETATM 2642 O HOH 374 38.782 -20.730 -27.954 1.00 29.86 O HETATM 2643 O HOH 375 -4.249 -21.028 -15.332 1.00 45.02 O HETATM 2644 O HOH 376 13.080 -8.398 -23.958 1.00 18.48 O HETATM 2645 O HOH 377 22.560 -10.356 -26.814 1.00 24.48 O HETATM 2646 O HOH 378 31.513 -6.421 -7.012 1.00 33.70 O HETATM 2647 O HOH 379 39.476 -22.582 -25.382 1.00 31.98 O HETATM 2648 O HOH 380 29.480 9.045 -21.113 1.00 30.17 O HETATM 2649 O HOH 381 26.773 7.492 -12.517 1.00 31.04 O HETATM 2650 O HOH 382 12.667 -11.555 -0.600 1.00 33.16 O HETATM 2651 O HOH 383 8.255 -1.597 -24.368 1.00 21.39 O HETATM 2652 O HOH 384 15.491 -20.336 -6.246 1.00 42.81 O HETATM 2653 O HOH 385 20.511 -21.410 -13.048 1.00 24.45 O HETATM 2654 O HOH 386 30.933 -16.118 -15.002 1.00 44.69 O HETATM 2655 O HOH 387 12.290 7.164 -6.844 1.00 49.12 O HETATM 2656 O HOH 388 30.418 -13.382 -15.049 1.00 27.41 O HETATM 2657 O HOH 389 2.863 -1.484 -15.012 1.00 42.20 O HETATM 2658 O HOH 390 32.773 -1.089 -7.191 1.00 46.13 O HETATM 2659 O HOH 391 20.824 -10.812 -24.860 1.00 18.32 O HETATM 2660 O HOH 392 34.312 -6.112 -11.011 1.00 32.30 O HETATM 2661 O HOH 393 16.455 11.226 -7.588 1.00 57.38 O HETATM 2662 O HOH 394 2.701 -1.961 -12.150 1.00 50.35 O HETATM 2663 O HOH 395 -5.152 -11.103 -15.647 1.00 38.05 O HETATM 2664 O HOH 396 12.792 -24.875 -13.879 1.00 40.09 O HETATM 2665 O HOH 397 22.721 -22.957 -13.474 1.00 35.12 O HETATM 2666 O HOH 398 32.517 -9.795 -14.119 1.00 37.65 O HETATM 2667 O HOH 399 16.886 -12.239 -27.523 1.00 28.37 O HETATM 2668 O HOH 400 36.100 3.632 -17.200 1.00 38.71 O HETATM 2669 O HOH 401 32.505 -18.713 -8.704 1.00 46.37 O HETATM 2670 O HOH 402 15.492 -19.356 -3.945 1.00 35.06 O HETATM 2671 O HOH 403 28.007 -20.335 -13.485 1.00 42.18 O HETATM 2672 O HOH 404 0.492 -3.792 -18.227 1.00 34.70 O HETATM 2673 O HOH 405 36.023 -9.631 -20.231 1.00 32.40 O HETATM 2674 O HOH 406 6.420 -16.995 -19.990 1.00 28.71 O HETATM 2675 O HOH 407 34.986 -13.549 -19.072 1.00 52.34 O HETATM 2676 O HOH 408 23.101 2.648 -33.872 1.00 41.67 O HETATM 2677 O HOH 409 23.889 -16.237 -3.835 1.00 29.57 O HETATM 2678 O HOH 410 32.849 -11.804 -18.048 1.00 36.38 O HETATM 2679 O HOH 411 -0.566 -2.020 -23.815 1.00 42.71 O HETATM 2680 O HOH 412 15.454 -15.309 -2.324 1.00 23.47 O HETATM 2681 O HOH 413 5.154 0.596 -19.983 1.00 20.70 O HETATM 2682 O HOH 414 20.192 -16.712 -6.368 1.00 31.43 O HETATM 2683 O HOH 415 33.621 -1.880 -19.917 1.00 45.01 O HETATM 2684 O HOH 416 32.892 -0.785 -21.692 1.00 40.13 O HETATM 2685 O HOH 417 16.996 -17.019 -3.622 1.00 28.98 O HETATM 2686 O HOH 418 19.356 -12.882 -26.023 1.00 22.29 O HETATM 2687 O HOH 419 21.336 -15.845 -3.946 1.00 32.77 O HETATM 2688 O HOH 420 3.944 2.666 -23.438 1.00 46.23 O HETATM 2689 O HOH 421 32.602 -4.541 -5.367 1.00 48.08 O HETATM 2690 C10 EQ A 7 0.486 -15.308 -10.386 1.00 0.27 C HETATM 2691 C09 EQ A 7 0.946 -16.672 -10.902 1.00 0.33 C HETATM 2692 C07 EQ A 7 0.037 -17.820 -11.117 1.00 0.33 C HETATM 2693 C06 EQ A 7 0.627 -19.144 -11.596 1.00 0.15 C HETATM 2694 C05 EQ A 7 -0.158 -20.295 -11.826 1.00 0.11 C HETATM 2695 C04 EQ A 7 0.445 -21.483 -12.270 1.00 -0.02 C HETATM 2696 C03 EQ A 7 1.836 -21.588 -12.495 1.00 -0.03 C HETATM 2697 C02 EQ A 7 2.610 -20.454 -12.269 1.00 0.10 C HETATM 2698 C18 EQ A 7 2.006 -19.284 -11.825 1.00 0.17 C HETATM 2699 N17 EQ A 7 2.917 -18.125 -11.597 1.00 -0.15 N HETATM 2700 C16 EQ A 7 2.394 -16.871 -11.147 1.00 0.41 C HETATM 2701 N19 EQ A 7 3.305 -15.779 -10.930 1.00 -0.14 N HETATM 2702 C20 EQ A 7 4.714 -15.844 -11.240 1.00 0.15 C HETATM 2703 C21 EQ A 7 5.489 -16.974 -11.439 1.00 -0.00 C HETATM 2704 C22 EQ A 7 6.827 -16.870 -11.800 1.00 -0.03 C HETATM 2705 C23 EQ A 7 7.353 -15.604 -11.992 1.00 0.06 C HETATM 2706 C25 EQ A 7 6.590 -14.481 -11.840 1.00 -0.02 C HETATM 2707 C26 EQ A 7 5.268 -14.601 -11.482 1.00 0.10 C HETATM 2708 CL27 EQ A 7 4.292 -13.147 -11.296 1.00 -0.06 CL HETATM 2709 H14 EQ A 7 7.024 -13.501 -12.001 1.00 0.07 H HETATM 2710 CL24 EQ A 7 9.041 -15.379 -12.470 1.00 -0.06 CL HETATM 2711 H6 EQ A 7 7.441 -17.754 -11.928 1.00 0.07 H HETATM 2712 H5 EQ A 7 5.045 -17.955 -11.311 1.00 0.07 H HETATM 2713 H16 EQ A 7 2.933 -14.905 -10.533 1.00 0.29 H HETATM 2714 H15 EQ A 7 3.928 -18.228 -11.764 1.00 0.28 H HETATM 2715 CL01 EQ A 7 4.358 -20.480 -12.550 1.00 -0.06 CL HETATM 2716 H7 EQ A 7 2.283 -22.517 -12.831 1.00 0.07 H HETATM 2717 H8 EQ A 7 -0.179 -22.351 -12.447 1.00 0.07 H HETATM 2718 N28 EQ A 7 -1.592 -20.297 -11.619 1.00 -0.21 N HETATM 2719 O29 EQ A 7 -2.031 -20.768 -10.641 1.00 -0.49 O HETATM 2720 O30 EQ A 7 -2.306 -19.843 -12.439 1.00 -0.49 O HETATM 2721 O08 EQ A 7 -1.127 -17.714 -10.931 1.00 -0.26 O HETATM 2722 C12 EQ A 7 -0.909 -15.075 -9.819 1.00 0.05 C HETATM 2723 C13 EQ A 7 -1.050 -15.769 -8.463 1.00 -0.03 C HETATM 2724 C15 EQ A 7 -0.050 -15.196 -7.457 1.00 -0.06 C HETATM 2725 H2 EQ A 7 -0.168 -15.708 -6.491 1.00 0.02 H HETATM 2726 H3 EQ A 7 -0.236 -14.120 -7.327 1.00 0.02 H HETATM 2727 H4 EQ A 7 0.974 -15.348 -7.830 1.00 0.02 H HETATM 2728 C14 EQ A 7 -2.469 -15.544 -7.946 1.00 -0.06 C HETATM 2729 H11 EQ A 7 -2.586 -16.038 -6.970 1.00 0.02 H HETATM 2730 H12 EQ A 7 -3.191 -15.967 -8.660 1.00 0.02 H HETATM 2731 H13 EQ A 7 -2.652 -14.465 -7.835 1.00 0.02 H HETATM 2732 H1 EQ A 7 -0.866 -16.847 -8.584 1.00 0.03 H HETATM 2733 H9 EQ A 7 -1.657 -15.482 -10.515 1.00 0.05 H HETATM 2734 H10 EQ A 7 -1.075 -13.995 -9.693 1.00 0.05 H HETATM 2735 O11 EQ A 7 1.251 -14.402 -10.347 1.00 -0.29 O CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1151 1152 1159 1160 1161 CONECT 1159 1151 CONECT 1160 1151 CONECT 1161 1151 CONECT 1983 1984 1990 1991 1992 CONECT 1990 1983 CONECT 1991 1983 CONECT 1992 1983 CONECT 2690 2691 2722 2735 CONECT 2691 2690 2692 2700 CONECT 2692 2691 2693 2721 CONECT 2693 2692 2694 2698 CONECT 2694 2693 2695 2718 CONECT 2695 2694 2696 2717 CONECT 2696 2695 2697 2716 CONECT 2697 2696 2698 2715 CONECT 2698 2693 2697 2699 CONECT 2699 2698 2700 2714 CONECT 2700 2691 2699 2701 CONECT 2701 2700 2702 2713 CONECT 2702 2701 2703 2707 CONECT 2703 2702 2704 2712 CONECT 2704 2703 2705 2711 CONECT 2705 2704 2706 2710 CONECT 2706 2705 2707 2709 CONECT 2707 2702 2706 2708 CONECT 2708 2707 CONECT 2709 2706 CONECT 2710 2705 CONECT 2711 2704 CONECT 2712 2703 CONECT 2713 2701 CONECT 2714 2699 CONECT 2715 2697 CONECT 2716 2696 CONECT 2717 2695 CONECT 2718 2694 2719 2720 CONECT 2719 2718 CONECT 2720 2718 CONECT 2721 2692 CONECT 2722 2690 2723 2733 2734 CONECT 2723 2722 2724 2728 2732 CONECT 2724 2723 2725 2726 2727 CONECT 2725 2724 CONECT 2726 2724 CONECT 2727 2724 CONECT 2728 2723 2729 2730 2731 CONECT 2729 2728 CONECT 2730 2728 CONECT 2731 2728 CONECT 2732 2723 CONECT 2733 2722 CONECT 2734 2722 CONECT 2735 2690 MASTER 0 0 0 0 0 0 0 0 2732 3 58 20 END
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Structure:
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Related entries of code: 6c8c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6c8c
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Chimeric protein of the Pol Kappa RIR helix and the Rev1 C-terminal domain
Ligand Name
EQ7
EC.Number
E.C.2.7.7.7
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=0.42uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
() Vol. : pp. -
Ligand Properties
Formula
C
2
0
H
1
6
Cl
3
N
3
O
4
Molecular Weight
468.718
Exact Mass
467.021
No. of atoms
46
No. of bonds
48
Polar Surface Area
107.78
LOGP Value
6.73 (
Computed with XLOGP3
)
6.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
CC(CC(=O)c1c(Nc2ccc(cc2Cl)Cl)[nH]c2c(c1=O)c(ccc2Cl)N(=O)=O)C
InChI String
InChI=1S/C20H16Cl3N3O4/c1-9(2)7-15(27)17-19(28)16-14(26(29)30)6-4-11(22)18(16)25-20(17)24-13-5-3-10(21)8-12(13)23/h3-6,8-9H,7H2,1-2H3,(H2,24,25,28)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q920Q2
Q9QUG2
Entrez Gene ID
NCBI Entrez Gene ID:
56210
27015
ASD
Information of known allosteric effects of PDB entries
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娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓