Browse entries in the PDBbind-CN Database
HEADER 6CWH_COMPLEX COMPND 6CWH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 165 ALA LYS THR THR GLN GLU LYS PHE ASP ALA LEU LYS GLU SEQRES 2 A 165 ALA GLY VAL PHE SER GLY TYR PRO GLY THR THR ASP ALA SEQRES 3 A 165 LYS LEU GLY GLN ASP MET THR ARG ALA GLU PHE ALA LYS SEQRES 4 A 165 VAL LEU VAL LYS LEU PHE GLY LEU LYS GLU ILE HIS GLY SEQRES 5 A 165 GLN TYR SER TYR LYS ASP LYS ASN TYR ASP ALA LYS ASN SEQRES 6 A 165 TRP ALA ALA PRO PHE ILE GLU ALA VAL THR ALA GLU GLY SEQRES 7 A 165 LEU MET GLN GLY LYS ASP LEU THR LYS LYS ILE PHE ASP SEQRES 8 A 165 PHE ASN GLY LYS ILE THR VAL GLU GLU ALA SER LYS THR SEQRES 9 A 165 LEU VAL THR ALA LEU LYS LEU GLU PRO VAL LYS ASP ALA SEQRES 10 A 165 GLN ASN LYS ALA THR ASP TRP ALA LYS GLY TYR PHE GLU SEQRES 11 A 165 ALA ALA VAL ASN ALA GLY LEU PHE SER LYS ASP ALA ASN SEQRES 12 A 165 PRO LYS ALA ASN ALA THR ARG ALA GLN LEU VAL GLU ALA SEQRES 13 A 165 ALA PHE ALA ALA ASP GLU MET SER LYS HET UNN A 263 39 ATOM 1 N ALA A 28 -13.018 -45.968 4.465 1.00 61.99 N ATOM 2 CA ALA A 28 -11.607 -45.746 4.930 1.00 57.74 C ATOM 3 C ALA A 28 -11.453 -44.272 5.293 1.00 52.08 C ATOM 4 O ALA A 28 -11.625 -43.401 4.452 1.00 56.50 O ATOM 5 CB ALA A 28 -10.596 -46.150 3.846 1.00 56.66 C ATOM 6 HN3 ALA A 28 -13.205 -45.372 3.633 1.00 0.00 H ATOM 7 HN2 ALA A 28 -13.677 -45.716 5.229 1.00 0.00 H ATOM 8 HN1 ALA A 28 -13.145 -46.969 4.212 1.00 0.00 H ATOM 9 N LYS A 29 -11.093 -44.003 6.540 1.00 46.44 N ATOM 10 CA LYS A 29 -11.102 -42.637 7.070 1.00 41.20 C ATOM 11 C LYS A 29 -9.699 -42.062 7.145 1.00 33.92 C ATOM 12 O LYS A 29 -8.721 -42.786 7.357 1.00 31.97 O ATOM 13 CB LYS A 29 -11.738 -42.667 8.458 1.00 44.40 C ATOM 14 CG LYS A 29 -13.168 -43.180 8.442 1.00 49.82 C ATOM 15 CD LYS A 29 -13.622 -43.668 9.810 1.00 56.47 C ATOM 16 CE LYS A 29 -13.949 -42.523 10.744 1.00 58.62 C ATOM 17 NZ LYS A 29 -15.278 -41.956 10.383 1.00 65.24 N ATOM 18 HZ1 LYS A 29 -15.251 -41.609 9.403 1.00 0.00 H ATOM 19 HZ2 LYS A 29 -16.004 -42.695 10.471 1.00 0.00 H ATOM 20 HZ3 LYS A 29 -15.504 -41.169 11.024 1.00 0.00 H ATOM 21 H LYS A 29 -10.796 -44.784 7.160 1.00 0.00 H ATOM 22 N THR A 30 -9.588 -40.771 6.916 1.00 29.74 N ATOM 23 CA THR A 30 -8.309 -40.105 6.990 1.00 26.81 C ATOM 24 C THR A 30 -7.910 -39.970 8.444 1.00 26.19 C ATOM 25 O THR A 30 -8.705 -40.218 9.357 1.00 27.78 O ATOM 26 CB THR A 30 -8.413 -38.698 6.356 1.00 27.45 C ATOM 27 OG1 THR A 30 -9.394 -37.925 7.067 1.00 26.41 O ATOM 28 CG2 THR A 30 -8.824 -38.851 4.935 1.00 28.43 C ATOM 29 HG1 THR A 30 -9.460 -37.025 6.661 1.00 0.00 H ATOM 30 H THR A 30 -10.437 -40.220 6.677 1.00 0.00 H ATOM 31 N THR A 31 -6.693 -39.550 8.710 1.00 24.01 N ATOM 32 CA THR A 31 -6.364 -39.212 10.081 1.00 22.62 C ATOM 33 C THR A 31 -7.288 -38.103 10.662 1.00 23.92 C ATOM 34 O THR A 31 -7.743 -38.213 11.812 1.00 22.94 O ATOM 35 CB THR A 31 -4.882 -38.841 10.203 1.00 21.32 C ATOM 36 OG1 THR A 31 -4.081 -39.897 9.656 1.00 19.64 O ATOM 37 CG2 THR A 31 -4.496 -38.623 11.705 1.00 20.73 C ATOM 38 HG1 THR A 31 -4.255 -40.734 10.155 1.00 0.00 H ATOM 39 H THR A 31 -5.983 -39.462 7.955 1.00 0.00 H ATOM 40 N GLN A 32 -7.574 -37.044 9.913 1.00 26.04 N ATOM 41 CA GLN A 32 -8.530 -36.039 10.389 1.00 27.55 C ATOM 42 C GLN A 32 -9.935 -36.626 10.715 1.00 29.43 C ATOM 43 O GLN A 32 -10.524 -36.294 11.761 1.00 29.49 O ATOM 44 CB GLN A 32 -8.661 -34.910 9.391 1.00 30.28 C ATOM 45 CG GLN A 32 -9.600 -33.767 9.793 1.00 32.48 C ATOM 46 CD GLN A 32 -9.067 -32.927 10.934 1.00 33.38 C ATOM 47 OE1 GLN A 32 -7.896 -32.510 10.938 1.00 32.48 O ATOM 48 NE2 GLN A 32 -9.926 -32.679 11.929 1.00 34.29 N ATOM 49 HE22 GLN A 32 -10.897 -33.049 11.882 1.00 0.00 H ATOM 50 HE21 GLN A 32 -9.623 -32.116 12.749 1.00 0.00 H ATOM 51 H GLN A 32 -7.118 -36.927 8.986 1.00 0.00 H ATOM 52 N GLU A 33 -10.484 -37.474 9.853 1.00 30.03 N ATOM 53 CA GLU A 33 -11.797 -38.018 10.143 1.00 32.19 C ATOM 54 C GLU A 33 -11.777 -38.908 11.377 1.00 31.20 C ATOM 55 O GLU A 33 -12.775 -38.969 12.119 1.00 32.11 O ATOM 56 CB GLU A 33 -12.357 -38.779 8.957 1.00 34.26 C ATOM 57 CG GLU A 33 -12.783 -37.846 7.822 1.00 36.13 C ATOM 58 CD GLU A 33 -12.841 -38.528 6.476 1.00 37.95 C ATOM 59 OE1 GLU A 33 -12.409 -39.698 6.326 1.00 38.12 O ATOM 60 OE2 GLU A 33 -13.267 -37.860 5.538 1.00 41.78 O ATOM 61 H GLU A 33 -9.981 -37.744 8.984 1.00 0.00 H ATOM 62 N LYS A 34 -10.652 -39.598 11.608 1.00 29.13 N ATOM 63 CA LYS A 34 -10.526 -40.432 12.828 1.00 27.56 C ATOM 64 C LYS A 34 -10.461 -39.584 14.064 1.00 27.54 C ATOM 65 O LYS A 34 -11.049 -39.942 15.096 1.00 28.39 O ATOM 66 CB LYS A 34 -9.311 -41.327 12.742 1.00 26.34 C ATOM 67 CG LYS A 34 -9.440 -42.401 11.660 1.00 25.50 C ATOM 68 CD LYS A 34 -8.186 -43.235 11.542 1.00 24.12 C ATOM 69 CE LYS A 34 -8.431 -44.298 10.526 1.00 25.42 C ATOM 70 NZ LYS A 34 -7.262 -45.161 10.420 1.00 25.01 N ATOM 71 HZ1 LYS A 34 -6.439 -44.594 10.133 1.00 0.00 H ATOM 72 HZ2 LYS A 34 -7.075 -45.604 11.342 1.00 0.00 H ATOM 73 HZ3 LYS A 34 -7.441 -45.899 9.710 1.00 0.00 H ATOM 74 H LYS A 34 -9.865 -39.549 10.930 1.00 0.00 H ATOM 75 N PHE A 35 -9.740 -38.461 13.963 1.00 27.08 N ATOM 76 CA PHE A 35 -9.714 -37.480 14.995 1.00 27.56 C ATOM 77 C PHE A 35 -11.110 -36.917 15.285 1.00 29.90 C ATOM 78 O PHE A 35 -11.488 -36.885 16.454 1.00 29.57 O ATOM 79 CB PHE A 35 -8.778 -36.328 14.664 1.00 27.71 C ATOM 80 CG PHE A 35 -8.864 -35.182 15.657 1.00 27.41 C ATOM 81 CD1 PHE A 35 -8.118 -35.223 16.840 1.00 26.63 C ATOM 82 CD2 PHE A 35 -9.719 -34.089 15.430 1.00 29.07 C ATOM 83 CE1 PHE A 35 -8.222 -34.199 17.781 1.00 27.79 C ATOM 84 CE2 PHE A 35 -9.820 -33.068 16.360 1.00 29.49 C ATOM 85 CZ PHE A 35 -9.056 -33.119 17.531 1.00 28.78 C ATOM 86 H PHE A 35 -9.180 -38.299 13.102 1.00 0.00 H ATOM 87 N ASP A 36 -11.828 -36.447 14.253 1.00 31.75 N ATOM 88 CA ASP A 36 -13.190 -35.904 14.400 1.00 35.10 C ATOM 89 C ASP A 36 -14.067 -36.907 15.149 1.00 36.79 C ATOM 90 O ASP A 36 -14.761 -36.555 16.111 1.00 37.49 O ATOM 91 CB ASP A 36 -13.864 -35.652 13.047 1.00 37.17 C ATOM 92 CG ASP A 36 -13.224 -34.531 12.239 1.00 37.91 C ATOM 93 OD1 ASP A 36 -12.609 -33.622 12.826 1.00 38.17 O ATOM 94 OD2 ASP A 36 -13.330 -34.582 11.002 1.00 40.27 O ATOM 95 H ASP A 36 -11.403 -36.467 13.304 1.00 0.00 H ATOM 96 N ALA A 37 -13.977 -38.180 14.754 1.00 36.97 N ATOM 97 CA ALA A 37 -14.757 -39.227 15.417 1.00 37.84 C ATOM 98 C ALA A 37 -14.366 -39.405 16.896 1.00 38.95 C ATOM 99 O ALA A 37 -15.242 -39.478 17.777 1.00 42.74 O ATOM 100 CB ALA A 37 -14.644 -40.540 14.656 1.00 36.63 C ATOM 101 H ALA A 37 -13.346 -38.430 13.966 1.00 0.00 H ATOM 102 N LEU A 38 -13.072 -39.482 17.185 1.00 37.05 N ATOM 103 CA LEU A 38 -12.623 -39.664 18.552 1.00 36.87 C ATOM 104 C LEU A 38 -12.977 -38.485 19.446 1.00 38.23 C ATOM 105 O LEU A 38 -13.225 -38.661 20.616 1.00 38.02 O ATOM 106 CB LEU A 38 -11.107 -39.912 18.586 1.00 35.20 C ATOM 107 CG LEU A 38 -10.669 -41.287 18.081 1.00 34.28 C ATOM 108 CD1 LEU A 38 -9.165 -41.323 17.776 1.00 31.77 C ATOM 109 CD2 LEU A 38 -11.057 -42.377 19.085 1.00 36.19 C ATOM 110 H LEU A 38 -12.371 -39.411 16.420 1.00 0.00 H ATOM 111 N LYS A 39 -12.962 -37.282 18.887 1.00 39.38 N ATOM 112 CA LYS A 39 -13.295 -36.065 19.616 1.00 42.40 C ATOM 113 C LYS A 39 -14.773 -35.978 19.937 1.00 44.85 C ATOM 114 O LYS A 39 -15.127 -35.696 21.049 1.00 45.06 O ATOM 115 CB LYS A 39 -12.893 -34.877 18.786 1.00 43.61 C ATOM 116 CG LYS A 39 -13.297 -33.508 19.293 1.00 45.88 C ATOM 117 CD LYS A 39 -12.697 -32.499 18.321 1.00 46.84 C ATOM 118 CE LYS A 39 -13.638 -31.377 17.930 1.00 50.67 C ATOM 119 NZ LYS A 39 -13.684 -30.443 19.067 1.00 52.59 N ATOM 120 HZ1 LYS A 39 -14.034 -30.942 19.910 1.00 0.00 H ATOM 121 HZ2 LYS A 39 -12.729 -30.076 19.252 1.00 0.00 H ATOM 122 HZ3 LYS A 39 -14.322 -29.654 18.840 1.00 0.00 H ATOM 123 H LYS A 39 -12.701 -37.204 17.883 1.00 0.00 H ATOM 124 N GLU A 40 -15.614 -36.261 18.948 1.00 47.33 N ATOM 125 CA GLU A 40 -17.043 -36.480 19.131 1.00 49.14 C ATOM 126 C GLU A 40 -17.291 -37.494 20.244 1.00 46.88 C ATOM 127 O GLU A 40 -18.159 -37.303 21.055 1.00 48.68 O ATOM 128 CB GLU A 40 -17.639 -37.006 17.810 1.00 52.42 C ATOM 129 CG GLU A 40 -19.035 -37.646 17.847 1.00 56.89 C ATOM 130 CD GLU A 40 -20.147 -36.660 18.182 1.00 62.70 C ATOM 131 OE1 GLU A 40 -21.305 -37.087 18.456 1.00 67.07 O ATOM 132 OE2 GLU A 40 -19.874 -35.440 18.170 1.00 65.12 O ATOM 133 H GLU A 40 -15.229 -36.330 17.984 1.00 0.00 H ATOM 134 N ALA A 41 -16.521 -38.573 20.295 1.00 42.97 N ATOM 135 CA ALA A 41 -16.663 -39.563 21.383 1.00 42.35 C ATOM 136 C ALA A 41 -16.020 -39.076 22.689 1.00 41.55 C ATOM 137 O ALA A 41 -15.959 -39.816 23.646 1.00 41.56 O ATOM 138 CB ALA A 41 -16.053 -40.910 20.964 1.00 40.33 C ATOM 139 H ALA A 41 -15.805 -38.725 19.556 1.00 0.00 H ATOM 140 N GLY A 42 -15.476 -37.857 22.710 1.00 41.97 N ATOM 141 CA GLY A 42 -14.847 -37.287 23.899 1.00 41.43 C ATOM 142 C GLY A 42 -13.517 -37.899 24.310 1.00 39.12 C ATOM 143 O GLY A 42 -13.103 -37.767 25.463 1.00 38.40 O ATOM 144 H GLY A 42 -15.501 -37.287 21.840 1.00 0.00 H ATOM 145 N VAL A 43 -12.843 -38.586 23.401 1.00 37.61 N ATOM 146 CA VAL A 43 -11.557 -39.224 23.724 1.00 36.14 C ATOM 147 C VAL A 43 -10.372 -38.279 23.500 1.00 35.80 C ATOM 148 O VAL A 43 -9.430 -38.226 24.311 1.00 34.82 O ATOM 149 CB VAL A 43 -11.349 -40.487 22.906 1.00 35.27 C ATOM 150 CG1 VAL A 43 -9.987 -41.077 23.192 1.00 33.60 C ATOM 151 CG2 VAL A 43 -12.462 -41.501 23.178 1.00 36.89 C ATOM 152 H VAL A 43 -13.230 -38.677 22.440 1.00 0.00 H ATOM 153 N PHE A 44 -10.384 -37.564 22.382 1.00 35.65 N ATOM 154 CA PHE A 44 -9.400 -36.500 22.153 1.00 35.94 C ATOM 155 C PHE A 44 -10.169 -35.214 22.271 1.00 39.48 C ATOM 156 O PHE A 44 -11.389 -35.228 22.059 1.00 39.61 O ATOM 157 CB PHE A 44 -8.782 -36.611 20.736 1.00 33.04 C ATOM 158 CG PHE A 44 -7.695 -37.643 20.617 1.00 31.21 C ATOM 159 CD1 PHE A 44 -8.012 -38.984 20.589 1.00 30.92 C ATOM 160 CD2 PHE A 44 -6.353 -37.263 20.521 1.00 28.91 C ATOM 161 CE1 PHE A 44 -7.025 -39.939 20.494 1.00 29.38 C ATOM 162 CE2 PHE A 44 -5.368 -38.206 20.419 1.00 28.58 C ATOM 163 CZ PHE A 44 -5.696 -39.554 20.388 1.00 28.49 C ATOM 164 H PHE A 44 -11.103 -37.761 21.656 1.00 0.00 H ATOM 165 N SER A 45 -9.445 -34.117 22.525 1.00 42.31 N ATOM 166 CA SER A 45 -9.975 -32.738 22.364 1.00 46.94 C ATOM 167 C SER A 45 -8.913 -31.904 21.564 1.00 44.85 C ATOM 168 O SER A 45 -7.855 -32.419 21.158 1.00 41.89 O ATOM 169 CB SER A 45 -10.276 -32.144 23.772 1.00 51.57 C ATOM 170 OG SER A 45 -10.078 -30.739 23.843 1.00 58.72 O ATOM 171 HG SER A 45 -10.285 -30.424 24.758 1.00 0.00 H ATOM 172 H SER A 45 -8.464 -34.236 22.851 1.00 0.00 H ATOM 173 N GLY A 46 -9.184 -30.637 21.314 1.00 46.16 N ATOM 174 CA GLY A 46 -8.374 -29.848 20.383 1.00 47.30 C ATOM 175 C GLY A 46 -7.405 -28.945 21.116 1.00 51.59 C ATOM 176 O GLY A 46 -6.786 -29.366 22.074 1.00 55.12 O ATOM 177 H GLY A 46 -9.992 -30.188 21.790 1.00 0.00 H ATOM 178 N TYR A 47 -7.328 -27.686 20.683 1.00 51.71 N ATOM 179 CA TYR A 47 -6.465 -26.694 21.264 1.00 53.41 C ATOM 180 C TYR A 47 -7.321 -25.463 21.478 1.00 63.52 C ATOM 181 O TYR A 47 -8.178 -25.146 20.635 1.00 68.20 O ATOM 182 CB TYR A 47 -5.296 -26.307 20.336 1.00 54.50 C ATOM 183 CG TYR A 47 -4.076 -27.228 20.358 1.00 50.22 C ATOM 184 CD1 TYR A 47 -4.148 -28.528 19.908 1.00 43.07 C ATOM 185 CD2 TYR A 47 -2.843 -26.754 20.841 1.00 49.64 C ATOM 186 CE1 TYR A 47 -3.033 -29.348 19.986 1.00 41.20 C ATOM 187 CE2 TYR A 47 -1.725 -27.554 20.881 1.00 46.60 C ATOM 188 CZ TYR A 47 -1.824 -28.845 20.465 1.00 43.00 C ATOM 189 OH TYR A 47 -0.690 -29.608 20.592 1.00 46.66 O ATOM 190 HH TYR A 47 -0.871 -30.524 20.262 1.00 0.00 H ATOM 191 H TYR A 47 -7.926 -27.406 19.880 1.00 0.00 H ATOM 192 N PRO A 48 -7.090 -24.752 22.582 1.00 65.57 N ATOM 193 CA PRO A 48 -7.877 -23.519 22.843 1.00 73.05 C ATOM 194 C PRO A 48 -7.771 -22.468 21.713 1.00 71.20 C ATOM 195 O PRO A 48 -6.690 -22.184 21.230 1.00 64.46 O ATOM 196 CB PRO A 48 -7.294 -22.959 24.167 1.00 75.01 C ATOM 197 CG PRO A 48 -6.404 -24.054 24.723 1.00 73.33 C ATOM 198 CD PRO A 48 -6.189 -25.128 23.687 1.00 65.02 C ATOM 199 N GLY A 49 -8.906 -21.911 21.303 1.00 74.70 N ATOM 200 CA GLY A 49 -8.934 -20.774 20.367 1.00 72.92 C ATOM 201 C GLY A 49 -8.971 -21.164 18.906 1.00 66.13 C ATOM 202 O GLY A 49 -9.151 -20.304 18.047 1.00 67.35 O ATOM 203 H GLY A 49 -9.807 -22.292 21.656 1.00 0.00 H ATOM 204 N THR A 50 -8.849 -22.455 18.632 1.00 59.28 N ATOM 205 CA THR A 50 -8.749 -22.982 17.274 1.00 56.29 C ATOM 206 C THR A 50 -9.389 -24.384 17.191 1.00 49.16 C ATOM 207 O THR A 50 -9.337 -25.153 18.109 1.00 43.35 O ATOM 208 CB THR A 50 -7.281 -23.143 16.828 1.00 54.75 C ATOM 209 OG1 THR A 50 -7.232 -23.709 15.507 1.00 53.80 O ATOM 210 CG2 THR A 50 -6.556 -24.041 17.783 1.00 51.67 C ATOM 211 HG1 THR A 50 -6.288 -23.810 15.227 1.00 0.00 H ATOM 212 H THR A 50 -8.823 -23.127 19.425 1.00 0.00 H ATOM 213 N THR A 51 -10.068 -24.616 16.084 1.00 48.65 N ATOM 214 CA THR A 51 -10.625 -25.897 15.755 1.00 48.46 C ATOM 215 C THR A 51 -9.574 -26.769 15.013 1.00 44.95 C ATOM 216 O THR A 51 -9.866 -27.874 14.694 1.00 43.43 O ATOM 217 CB THR A 51 -11.854 -25.733 14.845 1.00 50.26 C ATOM 218 OG1 THR A 51 -11.512 -24.827 13.804 1.00 52.46 O ATOM 219 CG2 THR A 51 -13.049 -25.192 15.583 1.00 54.00 C ATOM 220 HG1 THR A 51 -11.258 -23.955 14.197 1.00 0.00 H ATOM 221 H THR A 51 -10.207 -23.831 15.416 1.00 0.00 H ATOM 222 N ASP A 52 -8.380 -26.254 14.733 1.00 44.94 N ATOM 223 CA ASP A 52 -7.302 -27.026 14.095 1.00 45.47 C ATOM 224 C ASP A 52 -6.833 -28.142 15.043 1.00 42.19 C ATOM 225 O ASP A 52 -6.508 -27.904 16.242 1.00 42.55 O ATOM 226 CB ASP A 52 -6.184 -26.043 13.763 1.00 52.54 C ATOM 227 CG ASP A 52 -4.915 -26.680 13.170 1.00 57.56 C ATOM 228 OD1 ASP A 52 -4.805 -27.865 12.815 1.00 55.83 O ATOM 229 OD2 ASP A 52 -3.961 -25.909 13.037 1.00 67.13 O ATOM 230 H ASP A 52 -8.200 -25.259 14.976 1.00 0.00 H ATOM 231 N ALA A 53 -6.838 -29.352 14.513 1.00 37.66 N ATOM 232 CA ALA A 53 -6.495 -30.546 15.313 1.00 36.00 C ATOM 233 C ALA A 53 -4.999 -30.701 15.566 1.00 32.53 C ATOM 234 O ALA A 53 -4.633 -31.445 16.442 1.00 30.84 O ATOM 235 CB ALA A 53 -7.033 -31.786 14.696 1.00 33.41 C ATOM 236 H ALA A 53 -7.089 -29.467 13.510 1.00 0.00 H ATOM 237 N LYS A 54 -4.175 -29.937 14.865 1.00 32.66 N ATOM 238 CA LYS A 54 -2.731 -29.899 15.112 1.00 33.01 C ATOM 239 C LYS A 54 -2.123 -31.289 15.203 1.00 27.78 C ATOM 240 O LYS A 54 -1.430 -31.626 16.143 1.00 26.26 O ATOM 241 CB LYS A 54 -2.413 -29.088 16.345 1.00 36.48 C ATOM 242 CG LYS A 54 -2.973 -27.674 16.170 1.00 43.62 C ATOM 243 CD LYS A 54 -2.008 -26.567 16.556 1.00 48.26 C ATOM 244 CE LYS A 54 -2.844 -25.301 16.762 1.00 52.03 C ATOM 245 NZ LYS A 54 -2.162 -24.210 17.491 1.00 53.81 N ATOM 246 HZ1 LYS A 54 -1.890 -24.544 18.438 1.00 0.00 H ATOM 247 HZ2 LYS A 54 -1.311 -23.923 16.966 1.00 0.00 H ATOM 248 HZ3 LYS A 54 -2.806 -23.399 17.580 1.00 0.00 H ATOM 249 H LYS A 54 -4.568 -29.340 14.109 1.00 0.00 H ATOM 250 N LEU A 55 -2.381 -32.052 14.159 1.00 26.57 N ATOM 251 CA LEU A 55 -1.954 -33.464 14.077 1.00 25.15 C ATOM 252 C LEU A 55 -0.435 -33.621 14.061 1.00 23.65 C ATOM 253 O LEU A 55 0.038 -34.672 14.377 1.00 23.81 O ATOM 254 CB LEU A 55 -2.582 -34.125 12.879 1.00 24.32 C ATOM 255 CG LEU A 55 -4.110 -34.211 12.967 1.00 25.79 C ATOM 256 CD1 LEU A 55 -4.645 -34.683 11.637 1.00 25.82 C ATOM 257 CD2 LEU A 55 -4.629 -35.105 14.098 1.00 25.34 C ATOM 258 H LEU A 55 -2.907 -31.643 13.360 1.00 0.00 H ATOM 259 N GLY A 56 0.317 -32.570 13.720 1.00 24.23 N ATOM 260 CA GLY A 56 1.737 -32.686 13.732 1.00 23.70 C ATOM 261 C GLY A 56 2.351 -32.329 15.039 1.00 24.31 C ATOM 262 O GLY A 56 3.555 -32.549 15.214 1.00 24.28 O ATOM 263 H GLY A 56 -0.132 -31.672 13.447 1.00 0.00 H ATOM 264 N GLN A 57 1.543 -31.906 16.015 1.00 24.52 N ATOM 265 CA GLN A 57 2.050 -31.621 17.336 1.00 26.04 C ATOM 266 C GLN A 57 2.154 -32.814 18.289 1.00 23.43 C ATOM 267 O GLN A 57 1.631 -33.862 17.990 1.00 22.47 O ATOM 268 CB GLN A 57 1.162 -30.525 17.969 1.00 30.16 C ATOM 269 CG GLN A 57 1.164 -29.310 17.090 1.00 35.25 C ATOM 270 CD GLN A 57 2.484 -28.606 17.200 1.00 40.79 C ATOM 271 OE1 GLN A 57 2.736 -27.981 18.215 1.00 53.04 O ATOM 272 NE2 GLN A 57 3.333 -28.695 16.180 1.00 45.10 N ATOM 273 HE22 GLN A 57 3.073 -29.240 15.333 1.00 0.00 H ATOM 274 HE21 GLN A 57 4.256 -28.219 16.229 1.00 0.00 H ATOM 275 H GLN A 57 0.529 -31.780 15.819 1.00 0.00 H ATOM 276 N ASP A 58 2.847 -32.625 19.429 1.00 21.64 N ATOM 277 CA ASP A 58 3.112 -33.699 20.376 1.00 20.18 C ATOM 278 C ASP A 58 2.048 -33.648 21.502 1.00 20.44 C ATOM 279 O ASP A 58 1.078 -32.899 21.412 1.00 20.04 O ATOM 280 CB ASP A 58 4.552 -33.672 20.953 1.00 19.81 C ATOM 281 CG ASP A 58 5.629 -33.758 19.903 1.00 19.74 C ATOM 282 OD1 ASP A 58 5.460 -34.424 18.871 1.00 18.64 O ATOM 283 OD2 ASP A 58 6.709 -33.225 20.195 1.00 20.54 O ATOM 284 H ASP A 58 3.207 -31.673 19.641 1.00 0.00 H ATOM 285 N MET A 59 2.194 -34.537 22.496 1.00 20.63 N ATOM 286 CA MET A 59 1.203 -34.684 23.540 1.00 20.80 C ATOM 287 C MET A 59 1.894 -35.028 24.843 1.00 20.86 C ATOM 288 O MET A 59 2.819 -35.850 24.871 1.00 20.63 O ATOM 289 CB MET A 59 0.167 -35.741 23.164 1.00 20.15 C ATOM 290 CG MET A 59 -0.971 -35.795 24.174 1.00 21.10 C ATOM 291 SD MET A 59 -2.243 -37.064 23.923 1.00 22.84 S ATOM 292 CE MET A 59 -3.128 -36.282 22.582 1.00 23.97 C ATOM 293 H MET A 59 3.043 -35.137 22.517 1.00 0.00 H ATOM 294 N THR A 60 1.474 -34.369 25.922 1.00 21.57 N ATOM 295 CA THR A 60 2.026 -34.641 27.188 1.00 21.85 C ATOM 296 C THR A 60 1.483 -35.970 27.691 1.00 21.45 C ATOM 297 O THR A 60 0.415 -36.455 27.270 1.00 21.55 O ATOM 298 CB THR A 60 1.663 -33.585 28.267 1.00 23.90 C ATOM 299 OG1 THR A 60 0.247 -33.567 28.449 1.00 23.29 O ATOM 300 CG2 THR A 60 2.196 -32.213 27.868 1.00 24.23 C ATOM 301 HG1 THR A 60 -0.192 -33.332 27.593 1.00 0.00 H ATOM 302 H THR A 60 0.731 -33.647 25.828 1.00 0.00 H ATOM 303 N ARG A 61 2.289 -36.573 28.545 1.00 21.11 N ATOM 304 CA ARG A 61 1.958 -37.768 29.203 1.00 20.39 C ATOM 305 C ARG A 61 0.666 -37.582 30.009 1.00 22.60 C ATOM 306 O ARG A 61 -0.197 -38.509 30.043 1.00 23.27 O ATOM 307 CB ARG A 61 3.131 -38.180 30.067 1.00 20.33 C ATOM 308 CG ARG A 61 4.248 -38.752 29.205 1.00 19.84 C ATOM 309 CD ARG A 61 5.537 -38.906 29.962 1.00 19.90 C ATOM 310 NE ARG A 61 5.392 -39.793 31.115 1.00 20.46 N ATOM 311 CZ ARG A 61 5.250 -41.107 31.045 1.00 20.06 C ATOM 312 NH1 ARG A 61 5.221 -41.756 29.870 1.00 18.63 N ATOM 313 NH2 ARG A 61 5.158 -41.807 32.169 1.00 21.07 N ATOM 314 HE ARG A 61 5.401 -39.359 32.060 1.00 0.00 H ATOM 315 HH12 ARG A 61 5.108 -42.790 29.850 1.00 0.00 H ATOM 316 HH11 ARG A 61 5.311 -41.225 28.980 1.00 0.00 H ATOM 317 HH22 ARG A 61 5.046 -42.840 32.130 1.00 0.00 H ATOM 318 HH21 ARG A 61 5.198 -41.322 33.088 1.00 0.00 H ATOM 319 H ARG A 61 3.215 -36.141 28.740 1.00 0.00 H ATOM 320 N ALA A 62 0.507 -36.415 30.642 1.00 24.23 N ATOM 321 CA ALA A 62 -0.763 -36.053 31.299 1.00 26.27 C ATOM 322 C ALA A 62 -1.962 -36.138 30.349 1.00 26.05 C ATOM 323 O ALA A 62 -2.996 -36.742 30.685 1.00 25.98 O ATOM 324 CB ALA A 62 -0.678 -34.621 31.877 1.00 28.14 C ATOM 325 H ALA A 62 1.301 -35.744 30.672 1.00 0.00 H ATOM 326 N GLU A 63 -1.856 -35.491 29.183 1.00 26.39 N ATOM 327 CA GLU A 63 -2.994 -35.479 28.266 1.00 27.22 C ATOM 328 C GLU A 63 -3.208 -36.896 27.767 1.00 24.92 C ATOM 329 O GLU A 63 -4.352 -37.296 27.530 1.00 25.81 O ATOM 330 CB GLU A 63 -2.758 -34.621 27.054 1.00 32.00 C ATOM 331 CG GLU A 63 -2.546 -33.122 27.195 1.00 35.55 C ATOM 332 CD GLU A 63 -1.973 -32.577 25.873 1.00 45.60 C ATOM 333 OE1 GLU A 63 -0.763 -32.279 25.778 1.00 47.74 O ATOM 334 OE2 GLU A 63 -2.714 -32.544 24.868 1.00 50.33 O ATOM 335 H GLU A 63 -0.973 -35.002 28.932 1.00 0.00 H ATOM 336 N PHE A 64 -2.126 -37.652 27.581 1.00 21.08 N ATOM 337 CA PHE A 64 -2.281 -39.013 27.062 1.00 20.43 C ATOM 338 C PHE A 64 -2.977 -39.947 28.094 1.00 21.46 C ATOM 339 O PHE A 64 -3.814 -40.788 27.728 1.00 22.01 O ATOM 340 CB PHE A 64 -0.952 -39.589 26.571 1.00 18.98 C ATOM 341 CG PHE A 64 -1.114 -40.893 25.842 1.00 18.83 C ATOM 342 CD1 PHE A 64 -1.821 -40.942 24.686 1.00 18.89 C ATOM 343 CD2 PHE A 64 -0.635 -42.070 26.380 1.00 18.86 C ATOM 344 CE1 PHE A 64 -2.032 -42.118 24.054 1.00 19.58 C ATOM 345 CE2 PHE A 64 -0.856 -43.244 25.770 1.00 18.67 C ATOM 346 CZ PHE A 64 -1.509 -43.274 24.563 1.00 18.99 C ATOM 347 H PHE A 64 -1.181 -37.279 27.802 1.00 0.00 H ATOM 348 N ALA A 65 -2.618 -39.791 29.361 1.00 21.35 N ATOM 349 CA ALA A 65 -3.330 -40.476 30.429 1.00 23.48 C ATOM 350 C ALA A 65 -4.855 -40.290 30.267 1.00 24.88 C ATOM 351 O ALA A 65 -5.617 -41.229 30.389 1.00 24.86 O ATOM 352 CB ALA A 65 -2.841 -39.988 31.795 1.00 22.96 C ATOM 353 H ALA A 65 -1.817 -39.171 29.594 1.00 0.00 H ATOM 354 N LYS A 66 -5.281 -39.075 29.952 1.00 27.32 N ATOM 355 CA LYS A 66 -6.697 -38.798 29.841 1.00 29.73 C ATOM 356 C LYS A 66 -7.297 -39.430 28.643 1.00 28.99 C ATOM 357 O LYS A 66 -8.402 -39.961 28.712 1.00 30.72 O ATOM 358 CB LYS A 66 -6.930 -37.285 29.793 1.00 33.90 C ATOM 359 CG LYS A 66 -8.357 -36.924 29.493 1.00 36.04 C ATOM 360 CD LYS A 66 -8.601 -35.443 29.639 1.00 39.28 C ATOM 361 CE LYS A 66 -10.051 -35.181 29.272 1.00 42.70 C ATOM 362 NZ LYS A 66 -10.418 -33.759 29.495 1.00 45.92 N ATOM 363 HZ1 LYS A 66 -10.283 -33.521 30.498 1.00 0.00 H ATOM 364 HZ2 LYS A 66 -9.813 -33.150 28.908 1.00 0.00 H ATOM 365 HZ3 LYS A 66 -11.414 -33.614 29.235 1.00 0.00 H ATOM 366 H LYS A 66 -4.592 -38.315 29.783 1.00 0.00 H ATOM 367 N VAL A 67 -6.537 -39.407 27.537 1.00 26.30 N ATOM 368 CA VAL A 67 -6.908 -40.146 26.376 1.00 24.70 C ATOM 369 C VAL A 67 -7.140 -41.581 26.739 1.00 23.86 C ATOM 370 O VAL A 67 -8.119 -42.150 26.334 1.00 25.60 O ATOM 371 CB VAL A 67 -5.835 -40.065 25.244 1.00 23.61 C ATOM 372 CG1 VAL A 67 -6.136 -41.090 24.150 1.00 23.20 C ATOM 373 CG2 VAL A 67 -5.786 -38.660 24.666 1.00 24.06 C ATOM 374 H VAL A 67 -5.664 -38.841 27.527 1.00 0.00 H ATOM 375 N LEU A 68 -6.215 -42.213 27.423 1.00 22.51 N ATOM 376 CA LEU A 68 -6.379 -43.631 27.784 1.00 22.73 C ATOM 377 C LEU A 68 -7.641 -43.875 28.649 1.00 24.78 C ATOM 378 O LEU A 68 -8.334 -44.888 28.496 1.00 24.24 O ATOM 379 CB LEU A 68 -5.155 -44.166 28.535 1.00 21.60 C ATOM 380 CG LEU A 68 -3.839 -44.283 27.718 1.00 20.29 C ATOM 381 CD1 LEU A 68 -2.648 -44.586 28.645 1.00 19.74 C ATOM 382 CD2 LEU A 68 -3.927 -45.373 26.664 1.00 19.66 C ATOM 383 H LEU A 68 -5.355 -41.706 27.714 1.00 0.00 H ATOM 384 N VAL A 69 -7.875 -42.976 29.596 1.00 26.49 N ATOM 385 CA VAL A 69 -9.049 -43.112 30.454 1.00 28.56 C ATOM 386 C VAL A 69 -10.333 -43.082 29.608 1.00 30.59 C ATOM 387 O VAL A 69 -11.204 -43.915 29.766 1.00 30.46 O ATOM 388 CB VAL A 69 -9.063 -42.028 31.524 1.00 30.06 C ATOM 389 CG1 VAL A 69 -10.464 -41.957 32.199 1.00 32.27 C ATOM 390 CG2 VAL A 69 -7.985 -42.346 32.552 1.00 29.25 C ATOM 391 H VAL A 69 -7.224 -42.176 29.727 1.00 0.00 H ATOM 392 N LYS A 70 -10.404 -42.142 28.660 1.00 32.11 N ATOM 393 CA LYS A 70 -11.614 -42.034 27.851 1.00 34.42 C ATOM 394 C LYS A 70 -11.705 -43.184 26.895 1.00 34.12 C ATOM 395 O LYS A 70 -12.767 -43.691 26.628 1.00 35.92 O ATOM 396 CB LYS A 70 -11.632 -40.762 27.067 1.00 35.44 C ATOM 397 CG LYS A 70 -11.482 -39.531 27.884 1.00 38.20 C ATOM 398 CD LYS A 70 -12.723 -39.276 28.721 1.00 43.05 C ATOM 399 CE LYS A 70 -12.485 -38.021 29.532 1.00 45.04 C ATOM 400 NZ LYS A 70 -13.695 -37.591 30.259 1.00 49.69 N ATOM 401 HZ1 LYS A 70 -14.457 -37.397 29.578 1.00 0.00 H ATOM 402 HZ2 LYS A 70 -13.994 -38.346 30.909 1.00 0.00 H ATOM 403 HZ3 LYS A 70 -13.485 -36.728 30.800 1.00 0.00 H ATOM 404 H LYS A 70 -9.606 -41.495 28.501 1.00 0.00 H ATOM 405 N LEU A 71 -10.562 -43.607 26.360 1.00 33.53 N ATOM 406 CA LEU A 71 -10.544 -44.642 25.343 1.00 32.54 C ATOM 407 C LEU A 71 -11.022 -45.941 25.914 1.00 33.33 C ATOM 408 O LEU A 71 -11.743 -46.673 25.248 1.00 34.82 O ATOM 409 CB LEU A 71 -9.126 -44.807 24.783 1.00 31.72 C ATOM 410 CG LEU A 71 -8.895 -45.802 23.641 1.00 31.03 C ATOM 411 CD1 LEU A 71 -9.860 -45.528 22.507 1.00 30.84 C ATOM 412 CD2 LEU A 71 -7.437 -45.674 23.203 1.00 29.35 C ATOM 413 H LEU A 71 -9.665 -43.188 26.677 1.00 0.00 H ATOM 414 N PHE A 72 -10.560 -46.275 27.115 1.00 32.63 N ATOM 415 CA PHE A 72 -10.859 -47.559 27.713 1.00 33.52 C ATOM 416 C PHE A 72 -11.967 -47.485 28.798 1.00 35.24 C ATOM 417 O PHE A 72 -12.237 -48.476 29.453 1.00 36.88 O ATOM 418 CB PHE A 72 -9.596 -48.233 28.223 1.00 32.07 C ATOM 419 CG PHE A 72 -8.686 -48.626 27.139 1.00 32.09 C ATOM 420 CD1 PHE A 72 -9.047 -49.626 26.239 1.00 32.67 C ATOM 421 CD2 PHE A 72 -7.466 -47.925 26.921 1.00 29.94 C ATOM 422 CE1 PHE A 72 -8.201 -49.952 25.177 1.00 32.71 C ATOM 423 CE2 PHE A 72 -6.626 -48.283 25.896 1.00 28.46 C ATOM 424 CZ PHE A 72 -6.986 -49.299 25.015 1.00 29.84 C ATOM 425 H PHE A 72 -9.969 -45.597 27.638 1.00 0.00 H ATOM 426 N GLY A 73 -12.651 -46.344 28.918 1.00 35.71 N ATOM 427 CA GLY A 73 -13.744 -46.186 29.887 1.00 37.56 C ATOM 428 C GLY A 73 -13.284 -46.422 31.304 1.00 38.59 C ATOM 429 O GLY A 73 -13.977 -47.041 32.085 1.00 40.90 O ATOM 430 H GLY A 73 -12.402 -45.541 28.306 1.00 0.00 H ATOM 431 N LEU A 74 -12.126 -45.901 31.675 1.00 37.65 N ATOM 432 CA LEU A 74 -11.639 -46.122 33.034 1.00 38.28 C ATOM 433 C LEU A 74 -12.313 -45.184 33.987 1.00 40.87 C ATOM 434 O LEU A 74 -12.829 -44.133 33.561 1.00 39.48 O ATOM 435 CB LEU A 74 -10.118 -45.965 33.083 1.00 36.37 C ATOM 436 CG LEU A 74 -9.332 -46.860 32.138 1.00 34.05 C ATOM 437 CD1 LEU A 74 -7.860 -46.649 32.373 1.00 32.34 C ATOM 438 CD2 LEU A 74 -9.707 -48.328 32.295 1.00 35.33 C ATOM 439 H LEU A 74 -11.566 -45.338 31.003 1.00 0.00 H ATOM 440 N LYS A 75 -12.332 -45.552 35.285 1.00 43.99 N ATOM 441 CA LYS A 75 -12.886 -44.662 36.282 1.00 46.76 C ATOM 442 C LYS A 75 -11.828 -43.712 36.832 1.00 44.38 C ATOM 443 O LYS A 75 -10.756 -44.115 37.216 1.00 42.37 O ATOM 444 CB LYS A 75 -13.618 -45.423 37.431 1.00 52.33 C ATOM 445 CG LYS A 75 -15.131 -45.324 37.251 1.00 59.28 C ATOM 446 CD LYS A 75 -15.953 -46.050 38.339 1.00 67.03 C ATOM 447 CE LYS A 75 -16.913 -45.043 38.958 1.00 72.15 C ATOM 448 NZ LYS A 75 -18.325 -45.514 38.899 1.00 79.35 N ATOM 449 HZ1 LYS A 75 -18.599 -45.659 37.906 1.00 0.00 H ATOM 450 HZ2 LYS A 75 -18.412 -46.410 39.419 1.00 0.00 H ATOM 451 HZ3 LYS A 75 -18.946 -44.800 39.331 1.00 0.00 H ATOM 452 H LYS A 75 -11.948 -46.476 35.569 1.00 0.00 H ATOM 453 N GLU A 76 -12.185 -42.438 36.833 1.00 45.55 N ATOM 454 CA GLU A 76 -11.374 -41.319 37.280 1.00 46.03 C ATOM 455 C GLU A 76 -11.181 -41.469 38.811 1.00 47.28 C ATOM 456 O GLU A 76 -12.104 -41.896 39.515 1.00 49.48 O ATOM 457 CB GLU A 76 -12.187 -40.034 36.825 1.00 49.59 C ATOM 458 CG GLU A 76 -11.412 -38.772 36.524 1.00 51.22 C ATOM 459 CD GLU A 76 -12.305 -37.615 36.035 1.00 53.42 C ATOM 460 OE1 GLU A 76 -12.403 -36.520 36.678 1.00 55.07 O ATOM 461 OE2 GLU A 76 -12.893 -37.818 34.967 1.00 50.96 O ATOM 462 H GLU A 76 -13.138 -42.217 36.480 1.00 0.00 H ATOM 463 N ILE A 77 -9.971 -41.240 39.332 1.00 44.48 N ATOM 464 CA ILE A 77 -9.693 -41.431 40.751 1.00 45.21 C ATOM 465 C ILE A 77 -9.295 -40.097 41.403 1.00 46.97 C ATOM 466 O ILE A 77 -8.165 -39.609 41.242 1.00 43.04 O ATOM 467 CB ILE A 77 -8.587 -42.491 41.019 1.00 43.21 C ATOM 468 CG1 ILE A 77 -8.960 -43.841 40.386 1.00 42.08 C ATOM 469 CG2 ILE A 77 -8.400 -42.673 42.531 1.00 44.20 C ATOM 470 CD1 ILE A 77 -7.921 -44.936 40.559 1.00 40.08 C ATOM 471 H ILE A 77 -9.205 -40.916 38.707 1.00 0.00 H ATOM 472 N HIS A 78 -10.226 -39.528 42.163 1.00 47.17 N ATOM 473 CA HIS A 78 -10.014 -38.251 42.820 1.00 48.84 C ATOM 474 C HIS A 78 -9.507 -38.443 44.220 1.00 47.66 C ATOM 475 O HIS A 78 -9.835 -39.416 44.891 1.00 47.83 O ATOM 476 CB HIS A 78 -11.317 -37.467 42.866 1.00 53.25 C ATOM 477 CG HIS A 78 -11.806 -37.085 41.512 1.00 55.00 C ATOM 478 ND1 HIS A 78 -12.693 -37.866 40.799 1.00 56.18 N ATOM 479 CD2 HIS A 78 -11.486 -36.042 40.712 1.00 53.95 C ATOM 480 CE1 HIS A 78 -12.928 -37.299 39.633 1.00 55.17 C ATOM 481 NE2 HIS A 78 -12.207 -36.193 39.552 1.00 54.73 N ATOM 482 H HIS A 78 -11.136 -40.014 42.291 1.00 0.00 H ATOM 483 N GLY A 79 -8.697 -37.495 44.653 1.00 45.15 N ATOM 484 CA GLY A 79 -8.261 -37.464 46.031 1.00 45.61 C ATOM 485 C GLY A 79 -7.205 -38.478 46.353 1.00 43.08 C ATOM 486 O GLY A 79 -7.057 -38.856 47.500 1.00 44.79 O ATOM 487 H GLY A 79 -8.368 -36.761 43.994 1.00 0.00 H ATOM 488 N GLN A 80 -6.477 -38.935 45.341 1.00 40.03 N ATOM 489 CA GLN A 80 -5.367 -39.826 45.570 1.00 38.86 C ATOM 490 C GLN A 80 -4.188 -39.349 44.729 1.00 36.44 C ATOM 491 O GLN A 80 -4.374 -38.954 43.591 1.00 33.57 O ATOM 492 CB GLN A 80 -5.749 -41.247 45.194 1.00 39.18 C ATOM 493 CG GLN A 80 -4.625 -42.238 45.419 1.00 39.18 C ATOM 494 CD GLN A 80 -5.054 -43.692 45.565 1.00 41.84 C ATOM 495 OE1 GLN A 80 -6.242 -44.088 45.555 1.00 41.83 O ATOM 496 NE2 GLN A 80 -4.052 -44.515 45.760 1.00 43.80 N ATOM 497 HE22 GLN A 80 -3.076 -44.155 45.763 1.00 0.00 H ATOM 498 HE21 GLN A 80 -4.233 -45.528 45.912 1.00 0.00 H ATOM 499 H GLN A 80 -6.711 -38.646 44.370 1.00 0.00 H ATOM 500 N TYR A 81 -2.990 -39.404 45.317 1.00 35.96 N ATOM 501 CA TYR A 81 -1.790 -38.885 44.690 1.00 34.58 C ATOM 502 C TYR A 81 -0.669 -39.871 44.943 1.00 34.34 C ATOM 503 O TYR A 81 -0.230 -40.021 46.080 1.00 36.17 O ATOM 504 CB TYR A 81 -1.467 -37.478 45.203 1.00 35.20 C ATOM 505 CG TYR A 81 -2.692 -36.630 45.088 1.00 36.16 C ATOM 506 CD1 TYR A 81 -3.093 -36.115 43.872 1.00 34.74 C ATOM 507 CD2 TYR A 81 -3.531 -36.478 46.178 1.00 38.08 C ATOM 508 CE1 TYR A 81 -4.282 -35.428 43.756 1.00 36.37 C ATOM 509 CE2 TYR A 81 -4.702 -35.778 46.085 1.00 39.58 C ATOM 510 CZ TYR A 81 -5.078 -35.265 44.892 1.00 38.87 C ATOM 511 OH TYR A 81 -6.243 -34.559 44.877 1.00 40.64 O ATOM 512 HH TYR A 81 -6.418 -34.233 43.959 1.00 0.00 H ATOM 513 H TYR A 81 -2.915 -39.835 46.260 1.00 0.00 H ATOM 514 N SER A 82 -0.266 -40.584 43.901 1.00 32.83 N ATOM 515 CA SER A 82 0.698 -41.688 43.991 1.00 33.37 C ATOM 516 C SER A 82 2.097 -41.304 43.459 1.00 32.87 C ATOM 517 O SER A 82 3.034 -42.101 43.537 1.00 32.99 O ATOM 518 CB SER A 82 0.189 -42.873 43.172 1.00 32.90 C ATOM 519 OG SER A 82 -1.167 -43.146 43.522 1.00 33.95 O ATOM 520 HG SER A 82 -1.723 -42.349 43.331 1.00 0.00 H ATOM 521 H SER A 82 -0.655 -40.348 42.966 1.00 0.00 H ATOM 522 N TYR A 83 2.248 -40.080 42.964 1.00 32.57 N ATOM 523 CA TYR A 83 3.533 -39.630 42.503 1.00 32.30 C ATOM 524 C TYR A 83 4.019 -38.393 43.241 1.00 34.47 C ATOM 525 O TYR A 83 3.243 -37.639 43.801 1.00 33.83 O ATOM 526 CB TYR A 83 3.477 -39.372 40.993 1.00 29.94 C ATOM 527 CG TYR A 83 3.129 -40.633 40.196 1.00 27.71 C ATOM 528 CD1 TYR A 83 4.098 -41.616 39.913 1.00 26.81 C ATOM 529 CD2 TYR A 83 1.839 -40.849 39.768 1.00 26.51 C ATOM 530 CE1 TYR A 83 3.764 -42.782 39.209 1.00 25.49 C ATOM 531 CE2 TYR A 83 1.515 -41.992 39.067 1.00 26.29 C ATOM 532 CZ TYR A 83 2.479 -42.949 38.781 1.00 24.99 C ATOM 533 OH TYR A 83 2.076 -44.028 38.036 1.00 24.70 O ATOM 534 HH TYR A 83 1.355 -44.508 38.515 1.00 0.00 H ATOM 535 H TYR A 83 1.429 -39.442 42.910 1.00 0.00 H ATOM 536 N LYS A 84 5.335 -38.217 43.183 1.00 36.41 N ATOM 537 CA LYS A 84 6.045 -37.142 43.873 1.00 40.04 C ATOM 538 C LYS A 84 6.514 -36.008 42.942 1.00 39.41 C ATOM 539 O LYS A 84 7.300 -35.190 43.337 1.00 40.51 O ATOM 540 CB LYS A 84 7.262 -37.749 44.610 1.00 42.96 C ATOM 541 CG LYS A 84 6.914 -38.703 45.767 1.00 44.99 C ATOM 542 CD LYS A 84 8.202 -39.166 46.459 1.00 47.87 C ATOM 543 CE LYS A 84 7.977 -39.654 47.871 1.00 50.95 C ATOM 544 NZ LYS A 84 7.381 -38.552 48.676 1.00 54.31 N ATOM 545 HZ1 LYS A 84 8.031 -37.740 48.684 1.00 0.00 H ATOM 546 HZ2 LYS A 84 6.474 -38.267 48.254 1.00 0.00 H ATOM 547 HZ3 LYS A 84 7.224 -38.882 49.650 1.00 0.00 H ATOM 548 H LYS A 84 5.893 -38.884 42.613 1.00 0.00 H ATOM 549 N ASP A 85 6.061 -35.977 41.702 1.00 37.95 N ATOM 550 CA ASP A 85 6.469 -34.931 40.791 1.00 38.25 C ATOM 551 C ASP A 85 6.083 -33.588 41.363 1.00 40.98 C ATOM 552 O ASP A 85 5.030 -33.462 41.999 1.00 38.97 O ATOM 553 CB ASP A 85 5.737 -35.063 39.454 1.00 35.71 C ATOM 554 CG ASP A 85 6.043 -36.369 38.743 1.00 33.16 C ATOM 555 OD1 ASP A 85 5.726 -37.443 39.284 1.00 31.00 O ATOM 556 OD2 ASP A 85 6.548 -36.299 37.611 1.00 31.27 O ATOM 557 H ASP A 85 5.403 -36.714 41.377 1.00 0.00 H ATOM 558 N LYS A 86 6.921 -32.590 41.097 1.00 42.68 N ATOM 559 CA LYS A 86 6.560 -31.217 41.390 1.00 47.44 C ATOM 560 C LYS A 86 5.190 -30.933 40.821 1.00 45.91 C ATOM 561 O LYS A 86 4.946 -31.205 39.655 1.00 42.30 O ATOM 562 CB LYS A 86 7.511 -30.255 40.719 1.00 51.51 C ATOM 563 CG LYS A 86 8.633 -29.766 41.588 1.00 57.12 C ATOM 564 CD LYS A 86 9.709 -29.099 40.738 1.00 62.54 C ATOM 565 CE LYS A 86 9.165 -27.999 39.813 1.00 65.84 C ATOM 566 NZ LYS A 86 8.539 -26.906 40.609 1.00 68.72 N ATOM 567 HZ1 LYS A 86 7.754 -27.294 41.170 1.00 0.00 H ATOM 568 HZ2 LYS A 86 9.250 -26.491 41.245 1.00 0.00 H ATOM 569 HZ3 LYS A 86 8.178 -26.173 39.965 1.00 0.00 H ATOM 570 H LYS A 86 7.848 -32.797 40.673 1.00 0.00 H ATOM 571 N ASN A 87 4.320 -30.368 41.637 1.00 43.22 N ATOM 572 CA ASN A 87 2.986 -29.922 41.224 1.00 42.80 C ATOM 573 C ASN A 87 2.067 -31.030 40.850 1.00 40.38 C ATOM 574 O ASN A 87 1.091 -30.820 40.130 1.00 39.07 O ATOM 575 CB ASN A 87 3.073 -28.885 40.107 1.00 43.79 C ATOM 576 CG ASN A 87 3.768 -27.631 40.579 1.00 46.20 C ATOM 577 OD1 ASN A 87 3.446 -27.098 41.637 1.00 45.68 O ATOM 578 ND2 ASN A 87 4.742 -27.163 39.819 1.00 46.24 N ATOM 579 HD22 ASN A 87 4.984 -27.644 38.929 1.00 0.00 H ATOM 580 HD21 ASN A 87 5.267 -26.314 40.110 1.00 0.00 H ATOM 581 H ASN A 87 4.597 -30.231 42.630 1.00 0.00 H ATOM 582 N TYR A 88 2.375 -32.224 41.354 1.00 40.01 N ATOM 583 CA TYR A 88 1.425 -33.319 41.302 1.00 39.36 C ATOM 584 C TYR A 88 0.653 -33.405 42.605 1.00 41.06 C ATOM 585 O TYR A 88 1.177 -33.912 43.602 1.00 43.17 O ATOM 586 CB TYR A 88 2.131 -34.641 41.025 1.00 37.79 C ATOM 587 CG TYR A 88 1.124 -35.728 40.720 1.00 36.51 C ATOM 588 CD1 TYR A 88 0.504 -35.783 39.478 1.00 34.53 C ATOM 589 CD2 TYR A 88 0.746 -36.664 41.690 1.00 36.14 C ATOM 590 CE1 TYR A 88 -0.415 -36.768 39.178 1.00 33.80 C ATOM 591 CE2 TYR A 88 -0.177 -37.650 41.387 1.00 34.50 C ATOM 592 CZ TYR A 88 -0.772 -37.668 40.155 1.00 33.59 C ATOM 593 OH TYR A 88 -1.675 -38.594 39.799 1.00 33.12 O ATOM 594 HH TYR A 88 -1.263 -39.493 39.852 1.00 0.00 H ATOM 595 H TYR A 88 3.307 -32.373 41.790 1.00 0.00 H ATOM 596 N ASP A 89 -0.594 -32.933 42.588 1.00 42.01 N ATOM 597 CA ASP A 89 -1.394 -32.797 43.791 1.00 43.67 C ATOM 598 C ASP A 89 -2.841 -32.425 43.370 1.00 42.63 C ATOM 599 O ASP A 89 -3.152 -32.452 42.172 1.00 38.76 O ATOM 600 CB ASP A 89 -0.771 -31.698 44.653 1.00 47.99 C ATOM 601 CG ASP A 89 -0.655 -30.356 43.891 1.00 49.87 C ATOM 602 OD1 ASP A 89 -1.626 -29.941 43.184 1.00 49.08 O ATOM 603 OD2 ASP A 89 0.391 -29.701 44.047 1.00 53.03 O ATOM 604 H ASP A 89 -1.009 -32.651 41.677 1.00 0.00 H ATOM 605 N ALA A 90 -3.691 -32.043 44.337 1.00 42.06 N ATOM 606 CA ALA A 90 -5.117 -31.741 44.092 1.00 43.13 C ATOM 607 C ALA A 90 -5.361 -30.623 43.105 1.00 43.62 C ATOM 608 O ALA A 90 -6.449 -30.518 42.520 1.00 43.48 O ATOM 609 CB ALA A 90 -5.832 -31.396 45.406 1.00 45.81 C ATOM 610 H ALA A 90 -3.327 -31.955 45.307 1.00 0.00 H ATOM 611 N LYS A 91 -4.358 -29.780 42.899 1.00 44.21 N ATOM 612 CA LYS A 91 -4.504 -28.664 41.969 1.00 45.21 C ATOM 613 C LYS A 91 -4.164 -29.039 40.547 1.00 42.51 C ATOM 614 O LYS A 91 -4.351 -28.231 39.644 1.00 43.14 O ATOM 615 CB LYS A 91 -3.618 -27.504 42.424 1.00 47.29 C ATOM 616 CG LYS A 91 -4.135 -26.856 43.694 1.00 51.23 C ATOM 617 CD LYS A 91 -3.176 -25.793 44.157 1.00 54.03 C ATOM 618 CE LYS A 91 -1.880 -26.374 44.716 1.00 53.69 C ATOM 619 NZ LYS A 91 -1.534 -25.619 45.965 1.00 57.11 N ATOM 620 HZ1 LYS A 91 -1.408 -24.612 45.736 1.00 0.00 H ATOM 621 HZ2 LYS A 91 -2.303 -25.725 46.657 1.00 0.00 H ATOM 622 HZ3 LYS A 91 -0.652 -25.998 46.365 1.00 0.00 H ATOM 623 H LYS A 91 -3.459 -29.915 43.405 1.00 0.00 H ATOM 624 N ASN A 92 -3.662 -30.248 40.339 1.00 39.84 N ATOM 625 CA ASN A 92 -3.281 -30.710 38.996 1.00 36.87 C ATOM 626 C ASN A 92 -4.433 -31.419 38.336 1.00 35.77 C ATOM 627 O ASN A 92 -4.812 -32.502 38.767 1.00 33.63 O ATOM 628 CB ASN A 92 -2.104 -31.664 39.091 1.00 35.20 C ATOM 629 CG ASN A 92 -1.530 -32.004 37.733 1.00 33.05 C ATOM 630 OD1 ASN A 92 -2.263 -32.237 36.739 1.00 31.13 O ATOM 631 ND2 ASN A 92 -0.205 -32.074 37.679 1.00 32.74 N ATOM 632 HD22 ASN A 92 0.361 -31.873 38.528 1.00 0.00 H ATOM 633 HD21 ASN A 92 0.266 -32.330 36.788 1.00 0.00 H ATOM 634 H ASN A 92 -3.534 -30.888 41.149 1.00 0.00 H ATOM 635 N TRP A 93 -4.988 -30.814 37.288 1.00 36.68 N ATOM 636 CA TRP A 93 -6.186 -31.363 36.636 1.00 38.27 C ATOM 637 C TRP A 93 -5.985 -32.828 36.154 1.00 35.98 C ATOM 638 O TRP A 93 -6.955 -33.529 35.919 1.00 35.69 O ATOM 639 CB TRP A 93 -6.607 -30.519 35.419 1.00 40.59 C ATOM 640 CG TRP A 93 -5.568 -30.620 34.260 1.00 40.06 C ATOM 641 CD1 TRP A 93 -4.462 -29.835 34.077 1.00 40.71 C ATOM 642 CD2 TRP A 93 -5.517 -31.621 33.210 1.00 41.97 C ATOM 643 NE1 TRP A 93 -3.741 -30.278 32.995 1.00 40.99 N ATOM 644 CE2 TRP A 93 -4.364 -31.361 32.439 1.00 39.82 C ATOM 645 CE3 TRP A 93 -6.342 -32.707 32.859 1.00 41.71 C ATOM 646 CZ2 TRP A 93 -4.031 -32.117 31.309 1.00 40.17 C ATOM 647 CZ3 TRP A 93 -6.002 -33.478 31.755 1.00 41.89 C ATOM 648 CH2 TRP A 93 -4.850 -33.189 30.992 1.00 39.64 C ATOM 649 HE1 TRP A 93 -2.856 -29.854 32.651 1.00 0.00 H ATOM 650 H TRP A 93 -4.566 -29.936 36.923 1.00 0.00 H ATOM 651 N ALA A 94 -4.745 -33.275 35.986 1.00 33.87 N ATOM 652 CA ALA A 94 -4.513 -34.577 35.362 1.00 32.70 C ATOM 653 C ALA A 94 -4.459 -35.711 36.353 1.00 32.86 C ATOM 654 O ALA A 94 -4.453 -36.882 35.967 1.00 31.73 O ATOM 655 CB ALA A 94 -3.234 -34.539 34.531 1.00 30.53 C ATOM 656 H ALA A 94 -3.938 -32.698 36.299 1.00 0.00 H ATOM 657 N ALA A 95 -4.397 -35.401 37.631 1.00 34.30 N ATOM 658 CA ALA A 95 -4.169 -36.458 38.620 1.00 34.63 C ATOM 659 C ALA A 95 -5.239 -37.572 38.588 1.00 33.77 C ATOM 660 O ALA A 95 -4.907 -38.726 38.658 1.00 33.97 O ATOM 661 CB ALA A 95 -4.063 -35.850 40.044 1.00 37.59 C ATOM 662 H ALA A 95 -4.509 -34.413 37.936 1.00 0.00 H ATOM 663 N PRO A 96 -6.514 -37.230 38.440 1.00 34.04 N ATOM 664 CA PRO A 96 -7.508 -38.305 38.363 1.00 34.38 C ATOM 665 C PRO A 96 -7.327 -39.273 37.224 1.00 32.67 C ATOM 666 O PRO A 96 -7.708 -40.425 37.329 1.00 32.48 O ATOM 667 CB PRO A 96 -8.841 -37.542 38.241 1.00 36.56 C ATOM 668 CG PRO A 96 -8.550 -36.212 38.907 1.00 37.99 C ATOM 669 CD PRO A 96 -7.155 -35.904 38.402 1.00 35.98 C ATOM 670 N PHE A 97 -6.753 -38.799 36.116 1.00 30.69 N ATOM 671 CA PHE A 97 -6.547 -39.639 34.949 1.00 28.58 C ATOM 672 C PHE A 97 -5.299 -40.411 35.130 1.00 25.96 C ATOM 673 O PHE A 97 -5.233 -41.582 34.825 1.00 25.60 O ATOM 674 CB PHE A 97 -6.483 -38.765 33.710 1.00 29.29 C ATOM 675 CG PHE A 97 -7.712 -37.932 33.531 1.00 31.11 C ATOM 676 CD1 PHE A 97 -8.913 -38.518 33.114 1.00 32.19 C ATOM 677 CD2 PHE A 97 -7.691 -36.598 33.820 1.00 33.27 C ATOM 678 CE1 PHE A 97 -10.064 -37.767 32.955 1.00 34.52 C ATOM 679 CE2 PHE A 97 -8.858 -35.825 33.700 1.00 36.30 C ATOM 680 CZ PHE A 97 -10.049 -36.419 33.279 1.00 36.32 C ATOM 681 H PHE A 97 -6.446 -37.806 36.088 1.00 0.00 H ATOM 682 N ILE A 98 -4.274 -39.750 35.622 1.00 25.13 N ATOM 683 CA ILE A 98 -3.022 -40.448 35.881 1.00 24.40 C ATOM 684 C ILE A 98 -3.185 -41.563 36.914 1.00 25.17 C ATOM 685 O ILE A 98 -2.562 -42.654 36.815 1.00 24.01 O ATOM 686 CB ILE A 98 -1.945 -39.427 36.300 1.00 24.91 C ATOM 687 CG1 ILE A 98 -1.507 -38.638 35.022 1.00 23.92 C ATOM 688 CG2 ILE A 98 -0.726 -40.118 36.927 1.00 24.94 C ATOM 689 CD1 ILE A 98 -0.703 -37.419 35.338 1.00 24.88 C ATOM 690 H ILE A 98 -4.357 -38.733 35.825 1.00 0.00 H ATOM 691 N GLU A 99 -3.967 -41.263 37.962 1.00 25.66 N ATOM 692 CA GLU A 99 -4.226 -42.292 38.935 1.00 26.77 C ATOM 693 C GLU A 99 -5.003 -43.433 38.326 1.00 26.43 C ATOM 694 O GLU A 99 -4.649 -44.583 38.583 1.00 26.42 O ATOM 695 CB GLU A 99 -4.929 -41.705 40.183 1.00 28.57 C ATOM 696 CG GLU A 99 -4.079 -40.653 40.878 1.00 28.89 C ATOM 697 CD GLU A 99 -2.886 -41.218 41.606 1.00 28.89 C ATOM 698 OE1 GLU A 99 -2.977 -42.334 42.136 1.00 28.77 O ATOM 699 OE2 GLU A 99 -1.842 -40.519 41.675 1.00 29.18 O ATOM 700 H GLU A 99 -4.375 -40.312 38.069 1.00 0.00 H ATOM 701 N ALA A 100 -5.988 -43.147 37.469 1.00 26.34 N ATOM 702 CA ALA A 100 -6.732 -44.276 36.844 1.00 26.47 C ATOM 703 C ALA A 100 -5.832 -45.220 36.035 1.00 25.38 C ATOM 704 O ALA A 100 -5.913 -46.436 36.163 1.00 24.87 O ATOM 705 CB ALA A 100 -7.876 -43.762 36.007 1.00 26.81 C ATOM 706 H ALA A 100 -6.229 -42.161 37.244 1.00 0.00 H ATOM 707 N VAL A 101 -4.935 -44.647 35.198 1.00 23.93 N ATOM 708 CA VAL A 101 -4.112 -45.472 34.340 1.00 23.21 C ATOM 709 C VAL A 101 -3.068 -46.202 35.144 1.00 24.05 C ATOM 710 O VAL A 101 -2.602 -47.283 34.765 1.00 24.40 O ATOM 711 CB VAL A 101 -3.443 -44.684 33.166 1.00 21.93 C ATOM 712 CG1 VAL A 101 -4.501 -44.028 32.265 1.00 22.03 C ATOM 713 CG2 VAL A 101 -2.410 -43.669 33.688 1.00 21.10 C ATOM 714 H VAL A 101 -4.837 -43.612 35.172 1.00 0.00 H ATOM 715 N THR A 102 -2.683 -45.639 36.273 1.00 25.11 N ATOM 716 CA THR A 102 -1.766 -46.343 37.165 1.00 25.33 C ATOM 717 C THR A 102 -2.462 -47.516 37.876 1.00 26.94 C ATOM 718 O THR A 102 -1.927 -48.622 37.894 1.00 26.12 O ATOM 719 CB THR A 102 -1.203 -45.367 38.192 1.00 26.29 C ATOM 720 OG1 THR A 102 -0.517 -44.302 37.505 1.00 25.05 O ATOM 721 CG2 THR A 102 -0.250 -46.082 39.160 1.00 27.66 C ATOM 722 HG1 THR A 102 -1.153 -43.830 36.911 1.00 0.00 H ATOM 723 H THR A 102 -3.033 -44.693 36.528 1.00 0.00 H ATOM 724 N ALA A 103 -3.669 -47.307 38.416 1.00 27.91 N ATOM 725 CA ALA A 103 -4.411 -48.423 39.048 1.00 30.27 C ATOM 726 C ALA A 103 -4.633 -49.504 38.044 1.00 30.37 C ATOM 727 O ALA A 103 -4.560 -50.657 38.368 1.00 29.14 O ATOM 728 CB ALA A 103 -5.738 -47.956 39.659 1.00 32.47 C ATOM 729 H ALA A 103 -4.088 -46.356 38.392 1.00 0.00 H ATOM 730 N GLU A 104 -4.846 -49.105 36.783 1.00 30.03 N ATOM 731 CA GLU A 104 -5.147 -50.056 35.724 1.00 31.52 C ATOM 732 C GLU A 104 -3.913 -50.818 35.284 1.00 30.63 C ATOM 733 O GLU A 104 -4.024 -51.874 34.700 1.00 32.03 O ATOM 734 CB GLU A 104 -5.783 -49.322 34.546 1.00 31.58 C ATOM 735 CG GLU A 104 -6.315 -50.176 33.414 1.00 33.10 C ATOM 736 CD GLU A 104 -7.590 -50.892 33.801 1.00 36.90 C ATOM 737 OE1 GLU A 104 -8.129 -51.631 32.942 1.00 38.01 O ATOM 738 OE2 GLU A 104 -8.013 -50.757 34.989 1.00 39.89 O ATOM 739 H GLU A 104 -4.795 -48.091 36.556 1.00 0.00 H ATOM 740 N GLY A 105 -2.729 -50.330 35.611 1.00 29.09 N ATOM 741 CA GLY A 105 -1.509 -51.031 35.214 1.00 28.51 C ATOM 742 C GLY A 105 -0.998 -50.618 33.828 1.00 26.78 C ATOM 743 O GLY A 105 -0.099 -51.228 33.312 1.00 25.15 O ATOM 744 H GLY A 105 -2.665 -49.444 36.153 1.00 0.00 H ATOM 745 N LEU A 106 -1.572 -49.581 33.249 1.00 25.71 N ATOM 746 CA LEU A 106 -1.132 -49.126 31.907 1.00 25.10 C ATOM 747 C LEU A 106 0.140 -48.297 31.988 1.00 24.23 C ATOM 748 O LEU A 106 0.979 -48.343 31.091 1.00 26.56 O ATOM 749 CB LEU A 106 -2.237 -48.311 31.240 1.00 23.82 C ATOM 750 CG LEU A 106 -3.614 -48.988 31.117 1.00 24.54 C ATOM 751 CD1 LEU A 106 -4.484 -48.079 30.259 1.00 24.38 C ATOM 752 CD2 LEU A 106 -3.513 -50.335 30.467 1.00 24.69 C ATOM 753 H LEU A 106 -2.340 -49.078 33.738 1.00 0.00 H ATOM 754 N MET A 107 0.265 -47.504 33.033 1.00 24.28 N ATOM 755 CA MET A 107 1.412 -46.611 33.194 1.00 23.69 C ATOM 756 C MET A 107 1.886 -46.710 34.622 1.00 25.33 C ATOM 757 O MET A 107 1.076 -46.921 35.563 1.00 26.27 O ATOM 758 CB MET A 107 1.047 -45.180 32.835 1.00 23.10 C ATOM 759 CG MET A 107 0.620 -44.994 31.388 1.00 22.65 C ATOM 760 SD MET A 107 0.225 -43.289 30.951 1.00 21.84 S ATOM 761 CE MET A 107 1.868 -42.592 30.695 1.00 21.87 C ATOM 762 H MET A 107 -0.474 -47.513 33.765 1.00 0.00 H ATOM 763 N GLN A 108 3.198 -46.663 34.783 1.00 25.37 N ATOM 764 CA GLN A 108 3.812 -46.705 36.119 1.00 26.77 C ATOM 765 C GLN A 108 4.788 -45.562 36.375 1.00 26.24 C ATOM 766 O GLN A 108 5.313 -45.435 37.457 1.00 26.32 O ATOM 767 CB GLN A 108 4.558 -48.014 36.302 1.00 27.39 C ATOM 768 CG GLN A 108 5.849 -48.067 35.478 1.00 27.25 C ATOM 769 CD GLN A 108 6.606 -49.375 35.576 1.00 28.27 C ATOM 770 OE1 GLN A 108 7.372 -49.755 34.670 1.00 28.42 O ATOM 771 NE2 GLN A 108 6.376 -50.086 36.635 1.00 28.97 N ATOM 772 HE22 GLN A 108 5.729 -49.732 37.369 1.00 0.00 H ATOM 773 HE21 GLN A 108 6.838 -51.010 36.751 1.00 0.00 H ATOM 774 H GLN A 108 3.810 -46.595 33.945 1.00 0.00 H ATOM 775 N GLY A 109 5.002 -44.728 35.375 1.00 25.94 N ATOM 776 CA GLY A 109 5.969 -43.656 35.477 1.00 26.66 C ATOM 777 C GLY A 109 7.371 -44.057 35.063 1.00 26.35 C ATOM 778 O GLY A 109 7.593 -45.141 34.591 1.00 26.09 O ATOM 779 H GLY A 109 4.463 -44.844 34.493 1.00 0.00 H ATOM 780 N LYS A 110 8.314 -43.185 35.316 1.00 28.65 N ATOM 781 CA LYS A 110 9.696 -43.351 34.843 1.00 31.45 C ATOM 782 C LYS A 110 10.681 -43.722 35.921 1.00 34.72 C ATOM 783 O LYS A 110 11.791 -44.105 35.600 1.00 36.50 O ATOM 784 CB LYS A 110 10.176 -42.054 34.213 1.00 29.92 C ATOM 785 CG LYS A 110 9.343 -41.626 33.019 1.00 29.21 C ATOM 786 CD LYS A 110 9.961 -40.454 32.267 1.00 28.26 C ATOM 787 CE LYS A 110 9.317 -40.292 30.913 1.00 27.36 C ATOM 788 NZ LYS A 110 9.632 -38.975 30.280 1.00 27.39 N ATOM 789 HZ1 LYS A 110 9.289 -38.207 30.891 1.00 0.00 H ATOM 790 HZ2 LYS A 110 10.661 -38.888 30.157 1.00 0.00 H ATOM 791 HZ3 LYS A 110 9.165 -38.917 29.353 1.00 0.00 H ATOM 792 H LYS A 110 8.076 -42.340 35.874 1.00 0.00 H ATOM 793 N ASP A 111 10.293 -43.630 37.190 1.00 36.82 N ATOM 794 CA ASP A 111 11.209 -43.925 38.292 1.00 38.07 C ATOM 795 C ASP A 111 10.397 -44.418 39.483 1.00 37.11 C ATOM 796 O ASP A 111 9.683 -43.637 40.099 1.00 35.14 O ATOM 797 CB ASP A 111 11.972 -42.650 38.643 1.00 40.21 C ATOM 798 CG ASP A 111 13.134 -42.881 39.595 1.00 43.28 C ATOM 799 OD1 ASP A 111 13.119 -43.866 40.354 1.00 45.84 O ATOM 800 OD2 ASP A 111 14.053 -42.027 39.601 1.00 45.61 O ATOM 801 H ASP A 111 9.317 -43.342 37.404 1.00 0.00 H ATOM 802 N LEU A 112 10.552 -45.696 39.829 1.00 37.55 N ATOM 803 CA LEU A 112 9.749 -46.307 40.897 1.00 40.88 C ATOM 804 C LEU A 112 10.260 -45.934 42.281 1.00 44.05 C ATOM 805 O LEU A 112 9.468 -45.815 43.218 1.00 46.52 O ATOM 806 CB LEU A 112 9.742 -47.828 40.798 1.00 39.92 C ATOM 807 CG LEU A 112 9.228 -48.310 39.480 1.00 39.05 C ATOM 808 CD1 LEU A 112 9.351 -49.816 39.432 1.00 40.00 C ATOM 809 CD2 LEU A 112 7.792 -47.814 39.291 1.00 38.53 C ATOM 810 H LEU A 112 11.258 -46.274 39.331 1.00 0.00 H ATOM 811 N THR A 113 11.574 -45.777 42.427 1.00 45.38 N ATOM 812 CA THR A 113 12.112 -45.500 43.747 1.00 47.50 C ATOM 813 C THR A 113 11.757 -44.052 44.152 1.00 45.72 C ATOM 814 O THR A 113 11.379 -43.812 45.293 1.00 44.65 O ATOM 815 CB THR A 113 13.622 -45.782 43.839 1.00 49.13 C ATOM 816 OG1 THR A 113 14.308 -44.711 43.209 1.00 50.00 O ATOM 817 CG2 THR A 113 14.009 -47.117 43.162 1.00 48.50 C ATOM 818 HG1 THR A 113 14.028 -44.653 42.261 1.00 0.00 H ATOM 819 H THR A 113 12.207 -45.852 41.606 1.00 0.00 H ATOM 820 N LYS A 114 11.807 -43.116 43.213 1.00 44.15 N ATOM 821 CA LYS A 114 11.461 -41.711 43.483 1.00 44.10 C ATOM 822 C LYS A 114 10.014 -41.312 43.120 1.00 41.79 C ATOM 823 O LYS A 114 9.584 -40.193 43.391 1.00 40.93 O ATOM 824 CB LYS A 114 12.457 -40.767 42.782 1.00 47.03 C ATOM 825 CG LYS A 114 13.778 -40.771 43.521 1.00 51.38 C ATOM 826 CD LYS A 114 14.972 -40.338 42.693 1.00 54.17 C ATOM 827 CE LYS A 114 14.882 -38.863 42.368 1.00 57.50 C ATOM 828 NZ LYS A 114 15.941 -38.508 41.389 1.00 60.67 N ATOM 829 HZ1 LYS A 114 16.874 -38.718 41.798 1.00 0.00 H ATOM 830 HZ2 LYS A 114 15.809 -39.064 40.520 1.00 0.00 H ATOM 831 HZ3 LYS A 114 15.879 -37.494 41.166 1.00 0.00 H ATOM 832 H LYS A 114 12.101 -43.384 42.252 1.00 0.00 H ATOM 833 N LYS A 115 9.281 -42.215 42.480 1.00 39.93 N ATOM 834 CA LYS A 115 7.860 -42.027 42.173 1.00 38.71 C ATOM 835 C LYS A 115 7.636 -40.833 41.292 1.00 36.68 C ATOM 836 O LYS A 115 6.772 -39.996 41.558 1.00 34.79 O ATOM 837 CB LYS A 115 7.012 -41.905 43.422 1.00 41.01 C ATOM 838 CG LYS A 115 7.134 -43.111 44.317 1.00 43.87 C ATOM 839 CD LYS A 115 6.596 -42.788 45.696 1.00 46.64 C ATOM 840 CE LYS A 115 7.031 -43.839 46.672 1.00 49.80 C ATOM 841 NZ LYS A 115 6.487 -45.126 46.168 1.00 50.84 N ATOM 842 HZ1 LYS A 115 5.450 -45.067 46.119 1.00 0.00 H ATOM 843 HZ2 LYS A 115 6.870 -45.315 45.220 1.00 0.00 H ATOM 844 HZ3 LYS A 115 6.762 -45.894 46.813 1.00 0.00 H ATOM 845 H LYS A 115 9.738 -43.100 42.181 1.00 0.00 H ATOM 846 N ILE A 116 8.358 -40.819 40.170 1.00 35.99 N ATOM 847 CA ILE A 116 8.232 -39.763 39.163 1.00 34.94 C ATOM 848 C ILE A 116 7.471 -40.294 37.966 1.00 32.17 C ATOM 849 O ILE A 116 7.871 -41.277 37.343 1.00 31.11 O ATOM 850 CB ILE A 116 9.633 -39.297 38.690 1.00 36.71 C ATOM 851 CG1 ILE A 116 10.435 -38.770 39.896 1.00 38.20 C ATOM 852 CG2 ILE A 116 9.510 -38.230 37.611 1.00 35.56 C ATOM 853 CD1 ILE A 116 9.847 -37.519 40.544 1.00 40.37 C ATOM 854 H ILE A 116 9.037 -41.589 40.004 1.00 0.00 H ATOM 855 N PHE A 117 6.368 -39.644 37.635 1.00 31.00 N ATOM 856 CA PHE A 117 5.568 -40.028 36.466 1.00 27.85 C ATOM 857 C PHE A 117 6.038 -39.281 35.215 1.00 27.39 C ATOM 858 O PHE A 117 5.912 -39.779 34.107 1.00 24.24 O ATOM 859 CB PHE A 117 4.109 -39.686 36.723 1.00 26.77 C ATOM 860 CG PHE A 117 3.198 -40.078 35.609 1.00 24.93 C ATOM 861 CD1 PHE A 117 2.853 -41.387 35.419 1.00 24.63 C ATOM 862 CD2 PHE A 117 2.663 -39.133 34.782 1.00 25.12 C ATOM 863 CE1 PHE A 117 1.981 -41.765 34.419 1.00 23.63 C ATOM 864 CE2 PHE A 117 1.830 -39.494 33.739 1.00 24.32 C ATOM 865 CZ PHE A 117 1.464 -40.810 33.582 1.00 23.57 C ATOM 866 H PHE A 117 6.059 -38.840 38.218 1.00 0.00 H ATOM 867 N ASP A 118 6.524 -38.068 35.457 1.00 28.73 N ATOM 868 CA ASP A 118 6.787 -37.068 34.440 1.00 28.50 C ATOM 869 C ASP A 118 5.555 -36.753 33.598 1.00 28.08 C ATOM 870 O ASP A 118 5.418 -37.217 32.468 1.00 24.66 O ATOM 871 CB ASP A 118 7.952 -37.502 33.557 1.00 29.43 C ATOM 872 CG ASP A 118 8.325 -36.415 32.531 1.00 30.03 C ATOM 873 OD1 ASP A 118 7.832 -35.279 32.693 1.00 31.12 O ATOM 874 OD2 ASP A 118 9.018 -36.724 31.556 1.00 29.93 O ATOM 875 H ASP A 118 6.730 -37.818 36.445 1.00 0.00 H ATOM 876 N PHE A 119 4.678 -35.918 34.143 1.00 28.53 N ATOM 877 CA PHE A 119 3.386 -35.655 33.519 1.00 28.78 C ATOM 878 C PHE A 119 3.437 -34.569 32.440 1.00 29.41 C ATOM 879 O PHE A 119 2.598 -34.549 31.555 1.00 29.39 O ATOM 880 CB PHE A 119 2.306 -35.326 34.583 1.00 30.17 C ATOM 881 CG PHE A 119 2.587 -34.073 35.399 1.00 32.56 C ATOM 882 CD1 PHE A 119 2.260 -32.818 34.917 1.00 33.48 C ATOM 883 CD2 PHE A 119 3.173 -34.159 36.655 1.00 33.92 C ATOM 884 CE1 PHE A 119 2.512 -31.647 35.670 1.00 36.46 C ATOM 885 CE2 PHE A 119 3.419 -32.991 37.417 1.00 35.84 C ATOM 886 CZ PHE A 119 3.094 -31.741 36.920 1.00 36.44 C ATOM 887 H PHE A 119 4.918 -35.441 35.035 1.00 0.00 H ATOM 888 N ASN A 120 4.432 -33.692 32.489 1.00 30.31 N ATOM 889 CA ASN A 120 4.637 -32.685 31.427 1.00 31.59 C ATOM 890 C ASN A 120 5.480 -33.158 30.245 1.00 29.24 C ATOM 891 O ASN A 120 5.365 -32.608 29.169 1.00 30.75 O ATOM 892 CB ASN A 120 5.284 -31.424 32.012 1.00 34.42 C ATOM 893 CG ASN A 120 4.287 -30.569 32.728 1.00 37.64 C ATOM 894 OD1 ASN A 120 3.092 -30.628 32.435 1.00 43.84 O ATOM 895 ND2 ASN A 120 4.741 -29.821 33.683 1.00 38.58 N ATOM 896 HD22 ASN A 120 5.760 -29.806 33.892 1.00 0.00 H ATOM 897 HD21 ASN A 120 4.087 -29.236 34.241 1.00 0.00 H ATOM 898 H ASN A 120 5.086 -33.714 33.298 1.00 0.00 H ATOM 899 N GLY A 121 6.339 -34.148 30.453 1.00 27.78 N ATOM 900 CA GLY A 121 7.067 -34.745 29.339 1.00 27.90 C ATOM 901 C GLY A 121 6.109 -35.328 28.292 1.00 26.08 C ATOM 902 O GLY A 121 4.946 -35.639 28.582 1.00 24.76 O ATOM 903 H GLY A 121 6.494 -34.501 31.419 1.00 0.00 H ATOM 904 N LYS A 122 6.581 -35.440 27.061 1.00 23.89 N ATOM 905 CA LYS A 122 5.751 -35.858 25.974 1.00 22.33 C ATOM 906 C LYS A 122 5.777 -37.372 25.903 1.00 19.61 C ATOM 907 O LYS A 122 6.760 -38.052 26.227 1.00 19.54 O ATOM 908 CB LYS A 122 6.254 -35.310 24.609 1.00 24.05 C ATOM 909 CG LYS A 122 6.549 -33.830 24.558 1.00 27.29 C ATOM 910 CD LYS A 122 5.304 -32.994 24.831 1.00 30.23 C ATOM 911 CE LYS A 122 5.694 -31.551 24.553 1.00 33.75 C ATOM 912 NZ LYS A 122 4.907 -30.652 25.362 1.00 36.33 N ATOM 913 HZ1 LYS A 122 3.899 -30.780 25.140 1.00 0.00 H ATOM 914 HZ2 LYS A 122 5.070 -30.860 26.368 1.00 0.00 H ATOM 915 HZ3 LYS A 122 5.186 -29.671 25.160 1.00 0.00 H ATOM 916 H LYS A 122 7.581 -35.218 26.879 1.00 0.00 H ATOM 917 N ILE A 123 4.637 -37.890 25.487 1.00 18.11 N ATOM 918 CA ILE A 123 4.431 -39.331 25.329 1.00 16.29 C ATOM 919 C ILE A 123 5.230 -39.732 24.079 1.00 15.60 C ATOM 920 O ILE A 123 5.086 -39.115 23.021 1.00 15.99 O ATOM 921 CB ILE A 123 2.885 -39.684 25.293 1.00 15.88 C ATOM 922 CG1 ILE A 123 2.680 -41.199 25.407 1.00 16.00 C ATOM 923 CG2 ILE A 123 2.183 -39.216 24.027 1.00 15.82 C ATOM 924 CD1 ILE A 123 2.932 -41.711 26.782 1.00 16.76 C ATOM 925 H ILE A 123 3.851 -37.247 25.262 1.00 0.00 H ATOM 926 N THR A 124 6.075 -40.739 24.180 1.00 15.11 N ATOM 927 CA THR A 124 6.800 -41.238 23.021 1.00 14.27 C ATOM 928 C THR A 124 6.056 -42.362 22.355 1.00 14.13 C ATOM 929 O THR A 124 5.144 -42.944 22.941 1.00 13.38 O ATOM 930 CB THR A 124 8.198 -41.699 23.432 1.00 14.74 C ATOM 931 OG1 THR A 124 8.100 -42.829 24.294 1.00 14.46 O ATOM 932 CG2 THR A 124 8.960 -40.557 24.123 1.00 15.23 C ATOM 933 HG1 THR A 124 9.008 -43.122 24.556 1.00 0.00 H ATOM 934 H THR A 124 6.227 -41.186 25.107 1.00 0.00 H ATOM 935 N VAL A 125 6.441 -42.743 21.135 1.00 14.40 N ATOM 936 CA VAL A 125 5.762 -43.895 20.467 1.00 14.27 C ATOM 937 C VAL A 125 5.887 -45.171 21.243 1.00 14.97 C ATOM 938 O VAL A 125 4.893 -45.913 21.316 1.00 14.49 O ATOM 939 CB VAL A 125 5.928 -43.992 18.916 1.00 15.19 C ATOM 940 CG1 VAL A 125 6.520 -42.754 18.310 1.00 14.89 C ATOM 941 CG2 VAL A 125 6.396 -45.329 18.332 1.00 15.59 C ATOM 942 H VAL A 125 7.211 -42.240 20.650 1.00 0.00 H ATOM 943 N GLU A 126 7.071 -45.429 21.839 1.00 15.32 N ATOM 944 CA GLU A 126 7.270 -46.656 22.548 1.00 16.56 C ATOM 945 C GLU A 126 6.528 -46.645 23.884 1.00 16.72 C ATOM 946 O GLU A 126 6.024 -47.693 24.320 1.00 16.78 O ATOM 947 CB GLU A 126 8.734 -46.978 22.770 1.00 18.04 C ATOM 948 CG GLU A 126 9.542 -45.979 23.554 1.00 18.58 C ATOM 949 CD GLU A 126 11.033 -46.314 23.546 1.00 20.40 C ATOM 950 OE1 GLU A 126 11.502 -47.153 22.756 1.00 19.85 O ATOM 951 OE2 GLU A 126 11.737 -45.679 24.335 1.00 21.85 O ATOM 952 H GLU A 126 7.842 -44.733 21.782 1.00 0.00 H ATOM 953 N GLU A 127 6.419 -45.474 24.526 1.00 16.09 N ATOM 954 CA GLU A 127 5.606 -45.395 25.730 1.00 16.67 C ATOM 955 C GLU A 127 4.135 -45.707 25.413 1.00 16.55 C ATOM 956 O GLU A 127 3.472 -46.536 26.074 1.00 16.89 O ATOM 957 CB GLU A 127 5.724 -44.020 26.362 1.00 17.22 C ATOM 958 CG GLU A 127 7.057 -43.807 27.071 1.00 17.87 C ATOM 959 CD GLU A 127 7.258 -42.358 27.495 1.00 18.46 C ATOM 960 OE1 GLU A 127 6.392 -41.498 27.176 1.00 17.96 O ATOM 961 OE2 GLU A 127 8.265 -42.076 28.185 1.00 20.11 O ATOM 962 H GLU A 127 6.910 -44.630 24.167 1.00 0.00 H ATOM 963 N ALA A 128 3.632 -45.067 24.385 1.00 15.78 N ATOM 964 CA ALA A 128 2.222 -45.245 23.980 1.00 15.90 C ATOM 965 C ALA A 128 2.005 -46.675 23.612 1.00 16.85 C ATOM 966 O ALA A 128 0.934 -47.249 23.904 1.00 16.94 O ATOM 967 CB ALA A 128 1.875 -44.327 22.830 1.00 15.76 C ATOM 968 H ALA A 128 4.239 -44.420 23.843 1.00 0.00 H ATOM 969 N SER A 129 3.021 -47.272 22.968 1.00 16.46 N ATOM 970 CA SER A 129 2.941 -48.671 22.557 1.00 17.24 C ATOM 971 C SER A 129 2.697 -49.615 23.769 1.00 18.59 C ATOM 972 O SER A 129 1.810 -50.501 23.766 1.00 19.25 O ATOM 973 CB SER A 129 4.232 -49.067 21.831 1.00 17.06 C ATOM 974 OG SER A 129 4.358 -48.421 20.561 1.00 16.19 O ATOM 975 HG SER A 129 4.366 -47.440 20.691 1.00 0.00 H ATOM 976 H SER A 129 3.882 -46.727 22.758 1.00 0.00 H ATOM 977 N LYS A 130 3.463 -49.389 24.820 1.00 19.49 N ATOM 978 CA LYS A 130 3.290 -50.140 26.051 1.00 20.95 C ATOM 979 C LYS A 130 1.887 -50.001 26.594 1.00 20.76 C ATOM 980 O LYS A 130 1.257 -50.989 26.950 1.00 22.28 O ATOM 981 CB LYS A 130 4.236 -49.625 27.107 1.00 22.68 C ATOM 982 CG LYS A 130 3.780 -50.024 28.518 1.00 25.12 C ATOM 983 CD LYS A 130 4.945 -50.317 29.396 1.00 27.64 C ATOM 984 CE LYS A 130 5.045 -49.345 30.504 1.00 29.84 C ATOM 985 NZ LYS A 130 4.300 -49.701 31.734 1.00 29.54 N ATOM 986 HZ1 LYS A 130 3.288 -49.790 31.511 1.00 0.00 H ATOM 987 HZ2 LYS A 130 4.656 -50.606 32.104 1.00 0.00 H ATOM 988 HZ3 LYS A 130 4.435 -48.956 32.447 1.00 0.00 H ATOM 989 H LYS A 130 4.203 -48.661 24.766 1.00 0.00 H ATOM 990 N THR A 131 1.392 -48.764 26.678 1.00 19.26 N ATOM 991 CA THR A 131 0.092 -48.552 27.280 1.00 19.15 C ATOM 992 C THR A 131 -0.998 -49.296 26.525 1.00 19.12 C ATOM 993 O THR A 131 -1.882 -49.871 27.120 1.00 18.67 O ATOM 994 CB THR A 131 -0.296 -47.061 27.450 1.00 17.93 C ATOM 995 OG1 THR A 131 -0.571 -46.473 26.168 1.00 18.05 O ATOM 996 CG2 THR A 131 0.777 -46.304 28.167 1.00 17.70 C ATOM 997 HG1 THR A 131 0.235 -46.536 25.597 1.00 0.00 H ATOM 998 H THR A 131 1.937 -47.957 26.313 1.00 0.00 H ATOM 999 N LEU A 132 -0.938 -49.297 25.205 1.00 19.26 N ATOM 1000 CA LEU A 132 -2.033 -49.858 24.409 1.00 20.18 C ATOM 1001 C LEU A 132 -1.923 -51.368 24.311 1.00 22.32 C ATOM 1002 O LEU A 132 -2.920 -52.085 24.411 1.00 23.52 O ATOM 1003 CB LEU A 132 -2.091 -49.217 23.004 1.00 19.79 C ATOM 1004 CG LEU A 132 -2.286 -47.748 22.950 1.00 18.74 C ATOM 1005 CD1 LEU A 132 -1.921 -47.205 21.557 1.00 18.83 C ATOM 1006 CD2 LEU A 132 -3.710 -47.408 23.283 1.00 19.56 C ATOM 1007 H LEU A 132 -0.106 -48.896 24.727 1.00 0.00 H ATOM 1008 N VAL A 133 -0.711 -51.852 24.135 1.00 22.81 N ATOM 1009 CA VAL A 133 -0.446 -53.269 24.166 1.00 24.83 C ATOM 1010 C VAL A 133 -0.968 -53.874 25.496 1.00 26.42 C ATOM 1011 O VAL A 133 -1.612 -54.923 25.521 1.00 27.16 O ATOM 1012 CB VAL A 133 1.071 -53.520 24.019 1.00 25.77 C ATOM 1013 CG1 VAL A 133 1.451 -54.882 24.528 1.00 29.57 C ATOM 1014 CG2 VAL A 133 1.490 -53.408 22.550 1.00 26.50 C ATOM 1015 H VAL A 133 0.077 -51.194 23.969 1.00 0.00 H ATOM 1016 N THR A 134 -0.744 -53.164 26.582 1.00 25.87 N ATOM 1017 CA THR A 134 -1.217 -53.639 27.881 1.00 25.99 C ATOM 1018 C THR A 134 -2.733 -53.589 27.976 1.00 27.73 C ATOM 1019 O THR A 134 -3.373 -54.543 28.426 1.00 29.97 O ATOM 1020 CB THR A 134 -0.558 -52.839 29.023 1.00 24.65 C ATOM 1021 OG1 THR A 134 0.865 -52.899 28.867 1.00 23.08 O ATOM 1022 CG2 THR A 134 -0.961 -53.410 30.416 1.00 25.85 C ATOM 1023 HG1 THR A 134 1.117 -52.507 27.993 1.00 0.00 H ATOM 1024 H THR A 134 -0.229 -52.263 26.515 1.00 0.00 H ATOM 1025 N ALA A 135 -3.318 -52.483 27.563 1.00 27.46 N ATOM 1026 CA ALA A 135 -4.761 -52.333 27.589 1.00 29.06 C ATOM 1027 C ALA A 135 -5.443 -53.419 26.785 1.00 31.42 C ATOM 1028 O ALA A 135 -6.492 -53.910 27.196 1.00 34.94 O ATOM 1029 CB ALA A 135 -5.156 -50.990 27.050 1.00 27.95 C ATOM 1030 H ALA A 135 -2.732 -51.700 27.210 1.00 0.00 H ATOM 1031 N LEU A 136 -4.842 -53.780 25.654 1.00 30.67 N ATOM 1032 CA LEU A 136 -5.407 -54.728 24.710 1.00 31.81 C ATOM 1033 C LEU A 136 -5.046 -56.149 25.031 1.00 34.32 C ATOM 1034 O LEU A 136 -5.372 -57.078 24.266 1.00 33.35 O ATOM 1035 CB LEU A 136 -4.903 -54.412 23.302 1.00 30.63 C ATOM 1036 CG LEU A 136 -5.496 -53.120 22.760 1.00 28.46 C ATOM 1037 CD1 LEU A 136 -4.695 -52.639 21.555 1.00 27.24 C ATOM 1038 CD2 LEU A 136 -6.960 -53.300 22.412 1.00 29.26 C ATOM 1039 H LEU A 136 -3.916 -53.360 25.434 1.00 0.00 H ATOM 1040 N LYS A 137 -4.334 -56.322 26.143 1.00 35.82 N ATOM 1041 CA LYS A 137 -3.821 -57.635 26.564 1.00 39.47 C ATOM 1042 C LYS A 137 -3.115 -58.384 25.460 1.00 38.18 C ATOM 1043 O LYS A 137 -3.302 -59.566 25.313 1.00 39.10 O ATOM 1044 CB LYS A 137 -4.944 -58.478 27.160 1.00 42.72 C ATOM 1045 CG LYS A 137 -5.592 -57.739 28.309 1.00 45.15 C ATOM 1046 CD LYS A 137 -6.564 -58.613 29.076 1.00 51.53 C ATOM 1047 CE LYS A 137 -7.738 -57.780 29.572 1.00 53.39 C ATOM 1048 NZ LYS A 137 -7.291 -56.582 30.326 1.00 52.96 N ATOM 1049 HZ1 LYS A 137 -6.733 -56.881 31.151 1.00 0.00 H ATOM 1050 HZ2 LYS A 137 -6.706 -55.984 29.709 1.00 0.00 H ATOM 1051 HZ3 LYS A 137 -8.122 -56.044 30.645 1.00 0.00 H ATOM 1052 H LYS A 137 -4.132 -55.494 26.739 1.00 0.00 H ATOM 1053 N LEU A 138 -2.287 -57.678 24.703 1.00 36.46 N ATOM 1054 CA LEU A 138 -1.387 -58.312 23.750 1.00 36.74 C ATOM 1055 C LEU A 138 -0.097 -58.591 24.499 1.00 37.73 C ATOM 1056 O LEU A 138 0.247 -57.897 25.471 1.00 39.13 O ATOM 1057 CB LEU A 138 -1.122 -57.398 22.545 1.00 36.19 C ATOM 1058 CG LEU A 138 -2.353 -57.030 21.715 1.00 36.39 C ATOM 1059 CD1 LEU A 138 -2.061 -55.877 20.800 1.00 35.55 C ATOM 1060 CD2 LEU A 138 -2.834 -58.233 20.907 1.00 38.86 C ATOM 1061 H LEU A 138 -2.280 -56.642 24.792 1.00 0.00 H ATOM 1062 N GLU A 139 0.623 -59.608 24.073 1.00 38.11 N ATOM 1063 CA GLU A 139 1.774 -60.035 24.824 1.00 38.44 C ATOM 1064 C GLU A 139 3.000 -59.375 24.224 1.00 34.35 C ATOM 1065 O GLU A 139 3.198 -59.442 23.044 1.00 32.60 O ATOM 1066 CB GLU A 139 1.911 -61.566 24.806 1.00 42.34 C ATOM 1067 CG GLU A 139 2.916 -62.091 25.808 1.00 44.53 C ATOM 1068 CD GLU A 139 2.467 -61.930 27.289 1.00 47.25 C ATOM 1069 OE1 GLU A 139 1.264 -61.692 27.554 1.00 50.74 O ATOM 1070 OE2 GLU A 139 3.325 -62.037 28.188 1.00 45.94 O ATOM 1071 H GLU A 139 0.360 -60.101 23.196 1.00 0.00 H ATOM 1072 N PRO A 140 3.825 -58.717 25.069 1.00 33.86 N ATOM 1073 CA PRO A 140 5.042 -58.085 24.545 1.00 32.96 C ATOM 1074 C PRO A 140 5.892 -59.147 23.904 1.00 33.92 C ATOM 1075 O PRO A 140 5.930 -60.252 24.405 1.00 34.34 O ATOM 1076 CB PRO A 140 5.732 -57.521 25.786 1.00 32.49 C ATOM 1077 CG PRO A 140 4.677 -57.412 26.799 1.00 33.75 C ATOM 1078 CD PRO A 140 3.599 -58.407 26.489 1.00 33.88 C ATOM 1079 N VAL A 141 6.537 -58.831 22.798 1.00 34.45 N ATOM 1080 CA VAL A 141 7.388 -59.782 22.132 1.00 37.47 C ATOM 1081 C VAL A 141 8.715 -59.814 22.889 1.00 39.43 C ATOM 1082 O VAL A 141 9.572 -58.965 22.788 1.00 35.57 O ATOM 1083 CB VAL A 141 7.591 -59.473 20.622 1.00 36.01 C ATOM 1084 CG1 VAL A 141 8.408 -60.577 19.954 1.00 39.28 C ATOM 1085 CG2 VAL A 141 6.263 -59.317 19.909 1.00 35.09 C ATOM 1086 H VAL A 141 6.429 -57.877 22.399 1.00 0.00 H ATOM 1087 N LYS A 142 8.904 -60.847 23.661 1.00 45.82 N ATOM 1088 CA LYS A 142 10.238 -61.094 24.134 1.00 50.82 C ATOM 1089 C LYS A 142 11.095 -61.597 22.877 1.00 52.81 C ATOM 1090 O LYS A 142 10.588 -62.287 21.956 1.00 57.92 O ATOM 1091 CB LYS A 142 10.150 -61.959 25.390 1.00 53.82 C ATOM 1092 CG LYS A 142 11.332 -62.834 25.621 1.00 58.41 C ATOM 1093 CD LYS A 142 11.383 -63.265 27.058 1.00 59.08 C ATOM 1094 CE LYS A 142 12.488 -64.217 27.279 1.00 62.28 C ATOM 1095 NZ LYS A 142 13.862 -63.797 26.914 1.00 62.47 N ATOM 1096 HZ1 LYS A 142 13.898 -63.577 25.898 1.00 0.00 H ATOM 1097 HZ2 LYS A 142 14.122 -62.953 27.462 1.00 0.00 H ATOM 1098 HZ3 LYS A 142 14.527 -64.568 27.126 1.00 0.00 H ATOM 1099 H LYS A 142 8.116 -61.472 23.926 1.00 0.00 H ATOM 1100 N ASP A 143 12.352 -61.164 22.835 1.00 51.69 N ATOM 1101 CA ASP A 143 13.313 -61.347 21.709 1.00 52.55 C ATOM 1102 C ASP A 143 13.154 -60.412 20.563 1.00 51.32 C ATOM 1103 O ASP A 143 13.773 -60.631 19.505 1.00 51.88 O ATOM 1104 CB ASP A 143 13.355 -62.759 21.085 1.00 57.79 C ATOM 1105 CG ASP A 143 13.548 -63.827 22.091 1.00 60.59 C ATOM 1106 OD1 ASP A 143 13.855 -63.460 23.259 1.00 60.29 O ATOM 1107 OD2 ASP A 143 13.396 -65.017 21.701 1.00 62.54 O ATOM 1108 H ASP A 143 12.699 -60.648 23.669 1.00 0.00 H ATOM 1109 N ALA A 144 12.322 -59.379 20.725 1.00 48.79 N ATOM 1110 CA ALA A 144 12.075 -58.477 19.626 1.00 47.61 C ATOM 1111 C ALA A 144 13.376 -57.727 19.295 1.00 46.68 C ATOM 1112 O ALA A 144 14.080 -57.297 20.216 1.00 44.50 O ATOM 1113 CB ALA A 144 10.927 -57.500 19.960 1.00 45.85 C ATOM 1114 H ALA A 144 11.854 -59.225 21.641 1.00 0.00 H ATOM 1115 N GLN A 145 13.618 -57.528 17.993 1.00 46.72 N ATOM 1116 CA GLN A 145 14.793 -56.859 17.430 1.00 48.63 C ATOM 1117 C GLN A 145 14.320 -55.561 16.784 1.00 44.69 C ATOM 1118 O GLN A 145 13.624 -55.617 15.765 1.00 43.06 O ATOM 1119 CB GLN A 145 15.404 -57.738 16.340 1.00 54.52 C ATOM 1120 CG GLN A 145 15.929 -59.081 16.841 1.00 61.61 C ATOM 1121 CD GLN A 145 17.284 -58.958 17.514 1.00 68.25 C ATOM 1122 OE1 GLN A 145 18.313 -58.766 16.851 1.00 72.04 O ATOM 1123 NE2 GLN A 145 17.296 -59.066 18.837 1.00 71.09 N ATOM 1124 HE22 GLN A 145 16.408 -59.227 19.354 1.00 0.00 H ATOM 1125 HE21 GLN A 145 18.193 -58.990 19.357 1.00 0.00 H ATOM 1126 H GLN A 145 12.907 -57.880 17.321 1.00 0.00 H ATOM 1127 N ASN A 146 14.630 -54.395 17.371 1.00 41.16 N ATOM 1128 CA ASN A 146 14.163 -53.100 16.801 1.00 36.83 C ATOM 1129 C ASN A 146 14.886 -51.935 17.460 1.00 35.69 C ATOM 1130 O ASN A 146 15.706 -52.166 18.330 1.00 34.66 O ATOM 1131 CB ASN A 146 12.630 -52.941 16.920 1.00 34.27 C ATOM 1132 CG ASN A 146 12.115 -53.084 18.361 1.00 32.29 C ATOM 1133 OD1 ASN A 146 12.605 -52.432 19.280 1.00 30.45 O ATOM 1134 ND2 ASN A 146 11.067 -53.880 18.544 1.00 32.46 N ATOM 1135 HD22 ASN A 146 10.677 -54.418 17.744 1.00 0.00 H ATOM 1136 HD21 ASN A 146 10.637 -53.965 19.487 1.00 0.00 H ATOM 1137 H ASN A 146 15.205 -54.395 18.237 1.00 0.00 H ATOM 1138 N LYS A 147 14.580 -50.700 17.050 1.00 34.59 N ATOM 1139 CA LYS A 147 15.305 -49.514 17.545 1.00 35.63 C ATOM 1140 C LYS A 147 14.814 -48.953 18.884 1.00 33.41 C ATOM 1141 O LYS A 147 15.308 -47.929 19.344 1.00 33.74 O ATOM 1142 CB LYS A 147 15.278 -48.402 16.490 1.00 37.37 C ATOM 1143 CG LYS A 147 16.076 -48.738 15.224 1.00 41.74 C ATOM 1144 CD LYS A 147 16.074 -47.542 14.268 1.00 43.78 C ATOM 1145 CE LYS A 147 16.494 -47.892 12.854 1.00 48.26 C ATOM 1146 NZ LYS A 147 17.802 -48.605 12.810 1.00 52.64 N ATOM 1147 HZ1 LYS A 147 18.539 -48.000 13.224 1.00 0.00 H ATOM 1148 HZ2 LYS A 147 17.732 -49.489 13.353 1.00 0.00 H ATOM 1149 HZ3 LYS A 147 18.044 -48.822 11.822 1.00 0.00 H ATOM 1150 H LYS A 147 13.810 -50.572 16.363 1.00 0.00 H ATOM 1151 N ALA A 148 13.875 -49.635 19.531 1.00 31.72 N ATOM 1152 CA ALA A 148 13.326 -49.158 20.797 1.00 29.70 C ATOM 1153 C ALA A 148 14.348 -49.235 21.940 1.00 29.42 C ATOM 1154 O ALA A 148 15.291 -50.020 21.887 1.00 30.56 O ATOM 1155 CB ALA A 148 12.067 -49.936 21.152 1.00 28.19 C ATOM 1156 H ALA A 148 13.524 -50.527 19.127 1.00 0.00 H ATOM 1157 N THR A 149 14.131 -48.410 22.962 1.00 27.47 N ATOM 1158 CA THR A 149 14.838 -48.499 24.194 1.00 27.91 C ATOM 1159 C THR A 149 14.617 -49.939 24.739 1.00 28.98 C ATOM 1160 O THR A 149 13.570 -50.559 24.538 1.00 28.90 O ATOM 1161 CB THR A 149 14.330 -47.468 25.205 1.00 27.62 C ATOM 1162 OG1 THR A 149 14.156 -46.204 24.579 1.00 26.71 O ATOM 1163 CG2 THR A 149 15.298 -47.322 26.396 1.00 29.04 C ATOM 1164 HG1 THR A 149 13.497 -46.288 23.845 1.00 0.00 H ATOM 1165 H THR A 149 13.412 -47.666 22.855 1.00 0.00 H ATOM 1166 N ASP A 150 15.625 -50.455 25.419 1.00 29.65 N ATOM 1167 CA ASP A 150 15.619 -51.821 25.965 1.00 30.29 C ATOM 1168 C ASP A 150 14.306 -52.224 26.624 1.00 28.49 C ATOM 1169 O ASP A 150 13.741 -53.220 26.243 1.00 27.64 O ATOM 1170 CB ASP A 150 16.802 -52.006 26.937 1.00 31.38 C ATOM 1171 CG ASP A 150 18.112 -52.270 26.210 1.00 32.71 C ATOM 1172 OD1 ASP A 150 18.064 -52.550 25.010 1.00 32.33 O ATOM 1173 OD2 ASP A 150 19.196 -52.253 26.862 1.00 34.38 O ATOM 1174 H ASP A 150 16.467 -49.865 25.577 1.00 0.00 H ATOM 1175 N TRP A 151 13.813 -51.418 27.570 1.00 27.92 N ATOM 1176 CA TRP A 151 12.627 -51.812 28.318 1.00 27.62 C ATOM 1177 C TRP A 151 11.425 -51.977 27.395 1.00 26.56 C ATOM 1178 O TRP A 151 10.504 -52.703 27.721 1.00 26.20 O ATOM 1179 CB TRP A 151 12.320 -50.840 29.473 1.00 27.86 C ATOM 1180 CG TRP A 151 11.969 -49.445 28.973 1.00 26.43 C ATOM 1181 CD1 TRP A 151 12.810 -48.379 28.844 1.00 26.05 C ATOM 1182 CD2 TRP A 151 10.686 -49.010 28.483 1.00 25.12 C ATOM 1183 NE1 TRP A 151 12.127 -47.290 28.352 1.00 24.29 N ATOM 1184 CE2 TRP A 151 10.833 -47.655 28.084 1.00 23.87 C ATOM 1185 CE3 TRP A 151 9.428 -49.633 28.346 1.00 23.63 C ATOM 1186 CZ2 TRP A 151 9.778 -46.914 27.576 1.00 22.44 C ATOM 1187 CZ3 TRP A 151 8.385 -48.889 27.839 1.00 22.06 C ATOM 1188 CH2 TRP A 151 8.569 -47.541 27.464 1.00 21.60 C ATOM 1189 HE1 TRP A 151 12.528 -46.342 28.207 1.00 0.00 H ATOM 1190 H TRP A 151 14.277 -50.509 27.772 1.00 0.00 H ATOM 1191 N ALA A 152 11.467 -51.342 26.228 1.00 25.36 N ATOM 1192 CA ALA A 152 10.283 -51.167 25.348 1.00 24.48 C ATOM 1193 C ALA A 152 10.299 -52.021 24.123 1.00 24.29 C ATOM 1194 O ALA A 152 9.314 -52.045 23.382 1.00 24.67 O ATOM 1195 CB ALA A 152 10.197 -49.727 24.882 1.00 23.45 C ATOM 1196 H ALA A 152 12.377 -50.947 25.915 1.00 0.00 H ATOM 1197 N LYS A 153 11.416 -52.686 23.850 1.00 25.40 N ATOM 1198 CA LYS A 153 11.527 -53.434 22.644 1.00 26.55 C ATOM 1199 C LYS A 153 10.334 -54.336 22.392 1.00 26.33 C ATOM 1200 O LYS A 153 9.787 -54.352 21.284 1.00 26.99 O ATOM 1201 CB LYS A 153 12.816 -54.231 22.630 1.00 29.68 C ATOM 1202 CG LYS A 153 14.030 -53.385 22.233 1.00 30.89 C ATOM 1203 CD LYS A 153 15.249 -54.280 22.040 1.00 33.27 C ATOM 1204 CE LYS A 153 16.547 -53.503 22.209 1.00 34.28 C ATOM 1205 NZ LYS A 153 16.706 -52.497 21.132 1.00 34.06 N ATOM 1206 HZ1 LYS A 153 16.721 -52.978 20.210 1.00 0.00 H ATOM 1207 HZ2 LYS A 153 15.910 -51.829 21.163 1.00 0.00 H ATOM 1208 HZ3 LYS A 153 17.598 -51.981 21.270 1.00 0.00 H ATOM 1209 H LYS A 153 12.212 -52.660 24.519 1.00 0.00 H ATOM 1210 N GLY A 154 9.941 -55.118 23.382 1.00 26.50 N ATOM 1211 CA GLY A 154 8.812 -56.049 23.209 1.00 27.06 C ATOM 1212 C GLY A 154 7.460 -55.366 23.034 1.00 26.02 C ATOM 1213 O GLY A 154 6.620 -55.819 22.279 1.00 25.30 O ATOM 1214 H GLY A 154 10.435 -55.076 24.296 1.00 0.00 H ATOM 1215 N TYR A 155 7.237 -54.285 23.780 1.00 25.90 N ATOM 1216 CA TYR A 155 5.998 -53.518 23.611 1.00 24.99 C ATOM 1217 C TYR A 155 5.889 -52.879 22.241 1.00 23.81 C ATOM 1218 O TYR A 155 4.816 -52.920 21.602 1.00 22.50 O ATOM 1219 CB TYR A 155 5.909 -52.439 24.664 1.00 25.26 C ATOM 1220 CG TYR A 155 5.762 -52.930 26.098 1.00 26.19 C ATOM 1221 CD1 TYR A 155 4.593 -53.622 26.514 1.00 26.98 C ATOM 1222 CD2 TYR A 155 6.742 -52.637 27.055 1.00 28.00 C ATOM 1223 CE1 TYR A 155 4.435 -54.029 27.840 1.00 28.37 C ATOM 1224 CE2 TYR A 155 6.604 -53.049 28.390 1.00 29.50 C ATOM 1225 CZ TYR A 155 5.441 -53.730 28.763 1.00 29.57 C ATOM 1226 OH TYR A 155 5.302 -54.110 30.051 1.00 32.04 O ATOM 1227 HH TYR A 155 4.437 -54.577 30.164 1.00 0.00 H ATOM 1228 H TYR A 155 7.942 -53.985 24.483 1.00 0.00 H ATOM 1229 N PHE A 156 7.008 -52.329 21.767 1.00 23.49 N ATOM 1230 CA PHE A 156 7.009 -51.665 20.465 1.00 22.98 C ATOM 1231 C PHE A 156 6.798 -52.686 19.361 1.00 22.58 C ATOM 1232 O PHE A 156 5.956 -52.495 18.499 1.00 21.22 O ATOM 1233 CB PHE A 156 8.289 -50.822 20.265 1.00 24.01 C ATOM 1234 CG PHE A 156 8.347 -50.102 18.921 1.00 23.55 C ATOM 1235 CD1 PHE A 156 7.324 -49.218 18.560 1.00 21.96 C ATOM 1236 CD2 PHE A 156 9.347 -50.383 17.999 1.00 24.27 C ATOM 1237 CE1 PHE A 156 7.333 -48.561 17.319 1.00 21.30 C ATOM 1238 CE2 PHE A 156 9.365 -49.721 16.771 1.00 25.15 C ATOM 1239 CZ PHE A 156 8.342 -48.819 16.425 1.00 22.70 C ATOM 1240 H PHE A 156 7.884 -52.373 22.326 1.00 0.00 H ATOM 1241 N GLU A 157 7.464 -53.840 19.444 1.00 24.08 N ATOM 1242 CA GLU A 157 7.261 -54.858 18.424 1.00 24.95 C ATOM 1243 C GLU A 157 5.812 -55.347 18.378 1.00 23.62 C ATOM 1244 O GLU A 157 5.244 -55.522 17.320 1.00 23.34 O ATOM 1245 CB GLU A 157 8.216 -56.020 18.627 1.00 27.94 C ATOM 1246 CG GLU A 157 8.354 -56.917 17.400 1.00 31.53 C ATOM 1247 CD GLU A 157 9.279 -56.369 16.299 1.00 33.30 C ATOM 1248 OE1 GLU A 157 9.907 -55.305 16.447 1.00 31.11 O ATOM 1249 OE2 GLU A 157 9.475 -57.104 15.285 1.00 38.16 O ATOM 1250 H GLU A 157 8.122 -54.010 20.231 1.00 0.00 H ATOM 1251 N ALA A 158 5.208 -55.553 19.534 1.00 22.81 N ATOM 1252 CA ALA A 158 3.827 -56.013 19.584 1.00 22.92 C ATOM 1253 C ALA A 158 2.890 -54.968 18.998 1.00 21.87 C ATOM 1254 O ALA A 158 1.902 -55.264 18.338 1.00 21.65 O ATOM 1255 CB ALA A 158 3.421 -56.345 21.017 1.00 22.78 C ATOM 1256 H ALA A 158 5.725 -55.385 20.420 1.00 0.00 H ATOM 1257 N ALA A 159 3.192 -53.717 19.286 1.00 21.14 N ATOM 1258 CA ALA A 159 2.347 -52.629 18.759 1.00 20.23 C ATOM 1259 C ALA A 159 2.483 -52.554 17.259 1.00 20.45 C ATOM 1260 O ALA A 159 1.487 -52.335 16.525 1.00 19.50 O ATOM 1261 CB ALA A 159 2.726 -51.306 19.430 1.00 19.24 C ATOM 1262 H ALA A 159 4.018 -53.500 19.879 1.00 0.00 H ATOM 1263 N VAL A 160 3.692 -52.729 16.761 1.00 20.93 N ATOM 1264 CA VAL A 160 3.896 -52.744 15.317 1.00 21.56 C ATOM 1265 C VAL A 160 3.138 -53.914 14.695 1.00 23.25 C ATOM 1266 O VAL A 160 2.344 -53.718 13.775 1.00 22.36 O ATOM 1267 CB VAL A 160 5.410 -52.815 14.976 1.00 22.67 C ATOM 1268 CG1 VAL A 160 5.674 -53.210 13.559 1.00 24.38 C ATOM 1269 CG2 VAL A 160 6.071 -51.503 15.324 1.00 21.31 C ATOM 1270 H VAL A 160 4.502 -52.857 17.400 1.00 0.00 H ATOM 1271 N ASN A 161 3.348 -55.118 15.240 1.00 25.19 N ATOM 1272 CA ASN A 161 2.743 -56.280 14.706 1.00 27.08 C ATOM 1273 C ASN A 161 1.237 -56.131 14.699 1.00 27.52 C ATOM 1274 O ASN A 161 0.571 -56.710 13.819 1.00 27.75 O ATOM 1275 CB ASN A 161 3.127 -57.521 15.518 1.00 29.79 C ATOM 1276 CG ASN A 161 4.551 -57.980 15.255 1.00 31.02 C ATOM 1277 OD1 ASN A 161 5.208 -57.525 14.322 1.00 31.06 O ATOM 1278 ND2 ASN A 161 5.025 -58.892 16.074 1.00 32.02 N ATOM 1279 HD22 ASN A 161 4.434 -59.250 16.851 1.00 0.00 H ATOM 1280 HD21 ASN A 161 5.991 -59.256 15.945 1.00 0.00 H ATOM 1281 H ASN A 161 3.967 -55.201 16.071 1.00 0.00 H ATOM 1282 N ALA A 162 0.668 -55.440 15.689 1.00 25.81 N ATOM 1283 CA ALA A 162 -0.808 -55.288 15.730 1.00 26.28 C ATOM 1284 C ALA A 162 -1.306 -54.123 14.885 1.00 25.00 C ATOM 1285 O ALA A 162 -2.474 -53.816 14.922 1.00 27.21 O ATOM 1286 CB ALA A 162 -1.301 -55.145 17.170 1.00 26.24 C ATOM 1287 H ALA A 162 1.257 -55.009 16.430 1.00 0.00 H ATOM 1288 N GLY A 163 -0.399 -53.427 14.207 1.00 23.59 N ATOM 1289 CA GLY A 163 -0.737 -52.282 13.365 1.00 23.13 C ATOM 1290 C GLY A 163 -1.081 -51.005 14.117 1.00 21.91 C ATOM 1291 O GLY A 163 -1.724 -50.108 13.582 1.00 20.50 O ATOM 1292 H GLY A 163 0.599 -53.711 14.279 1.00 0.00 H ATOM 1293 N LEU A 164 -0.682 -50.911 15.376 1.00 20.54 N ATOM 1294 CA LEU A 164 -0.933 -49.675 16.125 1.00 19.91 C ATOM 1295 C LEU A 164 -0.076 -48.512 15.648 1.00 18.47 C ATOM 1296 O LEU A 164 -0.530 -47.348 15.664 1.00 18.72 O ATOM 1297 CB LEU A 164 -0.770 -49.911 17.630 1.00 19.36 C ATOM 1298 CG LEU A 164 -1.760 -50.940 18.220 1.00 20.74 C ATOM 1299 CD1 LEU A 164 -1.515 -51.099 19.702 1.00 21.40 C ATOM 1300 CD2 LEU A 164 -3.230 -50.586 18.009 1.00 21.70 C ATOM 1301 H LEU A 164 -0.194 -51.709 15.831 1.00 0.00 H ATOM 1302 N PHE A 165 1.176 -48.820 15.308 1.00 18.21 N ATOM 1303 CA PHE A 165 2.178 -47.877 14.773 1.00 18.34 C ATOM 1304 C PHE A 165 2.853 -48.535 13.606 1.00 20.23 C ATOM 1305 O PHE A 165 3.017 -49.747 13.638 1.00 19.23 O ATOM 1306 CB PHE A 165 3.257 -47.532 15.829 1.00 17.72 C ATOM 1307 CG PHE A 165 2.717 -46.767 17.016 1.00 17.34 C ATOM 1308 CD1 PHE A 165 2.468 -45.410 16.933 1.00 16.44 C ATOM 1309 CD2 PHE A 165 2.406 -47.410 18.193 1.00 16.80 C ATOM 1310 CE1 PHE A 165 1.945 -44.702 18.027 1.00 16.52 C ATOM 1311 CE2 PHE A 165 1.900 -46.706 19.284 1.00 16.59 C ATOM 1312 CZ PHE A 165 1.662 -45.379 19.211 1.00 16.15 C ATOM 1313 H PHE A 165 1.472 -49.809 15.430 1.00 0.00 H ATOM 1314 N SER A 166 3.234 -47.755 12.579 1.00 22.01 N ATOM 1315 CA SER A 166 4.017 -48.287 11.430 1.00 25.39 C ATOM 1316 C SER A 166 5.380 -48.764 11.879 1.00 24.68 C ATOM 1317 O SER A 166 5.988 -48.210 12.802 1.00 24.38 O ATOM 1318 CB SER A 166 4.221 -47.203 10.332 1.00 27.42 C ATOM 1319 OG SER A 166 3.540 -46.020 10.641 1.00 30.79 O ATOM 1320 HG SER A 166 3.877 -45.662 11.500 1.00 0.00 H ATOM 1321 H SER A 166 2.973 -46.748 12.588 1.00 0.00 H ATOM 1322 N LYS A 167 5.912 -49.753 11.192 1.00 27.46 N ATOM 1323 CA LYS A 167 7.237 -50.271 11.516 1.00 28.92 C ATOM 1324 C LYS A 167 8.346 -49.279 11.365 1.00 27.76 C ATOM 1325 O LYS A 167 9.406 -49.441 11.969 1.00 27.70 O ATOM 1326 CB LYS A 167 7.572 -51.494 10.637 1.00 34.73 C ATOM 1327 CG LYS A 167 7.641 -51.196 9.156 1.00 37.02 C ATOM 1328 CD LYS A 167 7.386 -52.452 8.349 1.00 41.57 C ATOM 1329 CE LYS A 167 7.185 -52.129 6.876 1.00 46.09 C ATOM 1330 NZ LYS A 167 8.492 -51.861 6.220 1.00 48.62 N ATOM 1331 HZ1 LYS A 167 8.952 -51.052 6.685 1.00 0.00 H ATOM 1332 HZ2 LYS A 167 9.099 -52.701 6.303 1.00 0.00 H ATOM 1333 HZ3 LYS A 167 8.336 -51.642 5.215 1.00 0.00 H ATOM 1334 H LYS A 167 5.378 -50.173 10.404 1.00 0.00 H ATOM 1335 N ASP A 168 8.129 -48.262 10.535 1.00 27.01 N ATOM 1336 CA ASP A 168 9.116 -47.243 10.365 1.00 28.33 C ATOM 1337 C ASP A 168 8.928 -46.062 11.307 1.00 25.55 C ATOM 1338 O ASP A 168 9.653 -45.090 11.224 1.00 26.33 O ATOM 1339 CB ASP A 168 9.135 -46.792 8.898 1.00 31.45 C ATOM 1340 CG ASP A 168 9.446 -47.942 7.958 1.00 36.03 C ATOM 1341 OD1 ASP A 168 10.507 -48.570 8.128 1.00 38.39 O ATOM 1342 OD2 ASP A 168 8.595 -48.248 7.104 1.00 37.30 O ATOM 1343 H ASP A 168 7.235 -48.208 10.006 1.00 0.00 H ATOM 1344 N ALA A 169 7.968 -46.122 12.210 1.00 22.53 N ATOM 1345 CA ALA A 169 7.863 -45.073 13.204 1.00 21.46 C ATOM 1346 C ALA A 169 9.143 -45.160 14.048 1.00 21.75 C ATOM 1347 O ALA A 169 9.724 -46.243 14.167 1.00 21.37 O ATOM 1348 CB ALA A 169 6.626 -45.294 14.056 1.00 19.96 C ATOM 1349 H ALA A 169 7.294 -46.914 12.208 1.00 0.00 H ATOM 1350 N ASN A 170 9.556 -44.048 14.633 1.00 21.12 N ATOM 1351 CA ASN A 170 10.676 -44.047 15.569 1.00 22.20 C ATOM 1352 C ASN A 170 10.194 -44.216 17.017 1.00 19.93 C ATOM 1353 O ASN A 170 9.534 -43.318 17.544 1.00 17.91 O ATOM 1354 CB ASN A 170 11.435 -42.748 15.446 1.00 24.17 C ATOM 1355 CG ASN A 170 12.646 -42.709 16.357 1.00 27.43 C ATOM 1356 OD1 ASN A 170 12.833 -43.559 17.239 1.00 27.01 O ATOM 1357 ND2 ASN A 170 13.493 -41.718 16.138 1.00 31.07 N ATOM 1358 HD22 ASN A 170 13.299 -41.025 15.387 1.00 0.00 H ATOM 1359 HD21 ASN A 170 14.353 -41.632 16.716 1.00 0.00 H ATOM 1360 H ASN A 170 9.071 -43.153 14.421 1.00 0.00 H ATOM 1361 N PRO A 171 10.485 -45.383 17.627 1.00 19.93 N ATOM 1362 CA PRO A 171 9.998 -45.735 18.950 1.00 19.16 C ATOM 1363 C PRO A 171 10.390 -44.694 19.946 1.00 19.37 C ATOM 1364 O PRO A 171 9.589 -44.394 20.825 1.00 18.07 O ATOM 1365 CB PRO A 171 10.704 -47.066 19.270 1.00 19.71 C ATOM 1366 CG PRO A 171 11.861 -47.111 18.318 1.00 21.09 C ATOM 1367 CD PRO A 171 11.325 -46.472 17.070 1.00 20.77 C ATOM 1368 N LYS A 172 11.580 -44.109 19.782 1.00 20.03 N ATOM 1369 CA LYS A 172 12.055 -43.098 20.743 1.00 20.91 C ATOM 1370 C LYS A 172 11.548 -41.715 20.561 1.00 19.75 C ATOM 1371 O LYS A 172 11.699 -40.892 21.456 1.00 20.48 O ATOM 1372 CB LYS A 172 13.557 -43.060 20.783 1.00 23.93 C ATOM 1373 CG LYS A 172 14.139 -44.413 21.164 1.00 25.93 C ATOM 1374 CD LYS A 172 15.645 -44.328 21.277 1.00 28.23 C ATOM 1375 CE LYS A 172 16.222 -45.728 21.236 1.00 30.83 C ATOM 1376 NZ LYS A 172 17.335 -45.876 22.195 1.00 33.46 N ATOM 1377 HZ1 LYS A 172 18.088 -45.199 21.957 1.00 0.00 H ATOM 1378 HZ2 LYS A 172 16.989 -45.687 23.157 1.00 0.00 H ATOM 1379 HZ3 LYS A 172 17.709 -46.845 22.143 1.00 0.00 H ATOM 1380 H LYS A 172 12.175 -44.369 18.970 1.00 0.00 H ATOM 1381 N ALA A 173 10.948 -41.387 19.428 1.00 19.44 N ATOM 1382 CA ALA A 173 10.496 -40.004 19.224 1.00 18.97 C ATOM 1383 C ALA A 173 9.219 -39.773 20.005 1.00 18.20 C ATOM 1384 O ALA A 173 8.462 -40.728 20.289 1.00 16.52 O ATOM 1385 CB ALA A 173 10.222 -39.720 17.735 1.00 19.58 C ATOM 1386 H ALA A 173 10.798 -42.102 18.688 1.00 0.00 H ATOM 1387 N ASN A 174 8.947 -38.511 20.264 1.00 17.64 N ATOM 1388 CA ASN A 174 7.654 -38.088 20.755 1.00 17.45 C ATOM 1389 C ASN A 174 6.611 -38.428 19.724 1.00 16.33 C ATOM 1390 O ASN A 174 6.799 -38.181 18.534 1.00 15.38 O ATOM 1391 CB ASN A 174 7.627 -36.576 21.001 1.00 18.29 C ATOM 1392 CG ASN A 174 8.587 -36.121 22.108 1.00 19.56 C ATOM 1393 OD1 ASN A 174 9.171 -36.908 22.839 1.00 18.99 O ATOM 1394 ND2 ASN A 174 8.753 -34.802 22.209 1.00 20.91 N ATOM 1395 HD22 ASN A 174 8.239 -34.163 21.570 1.00 0.00 H ATOM 1396 HD21 ASN A 174 9.396 -34.412 22.927 1.00 0.00 H ATOM 1397 H ASN A 174 9.686 -37.795 20.111 1.00 0.00 H ATOM 1398 N ALA A 175 5.504 -39.046 20.166 1.00 15.39 N ATOM 1399 CA ALA A 175 4.480 -39.428 19.216 1.00 15.35 C ATOM 1400 C ALA A 175 3.751 -38.161 18.754 1.00 16.34 C ATOM 1401 O ALA A 175 3.405 -37.324 19.557 1.00 17.73 O ATOM 1402 CB ALA A 175 3.515 -40.395 19.842 1.00 15.46 C ATOM 1403 H ALA A 175 5.383 -39.248 21.179 1.00 0.00 H ATOM 1404 N THR A 176 3.497 -38.031 17.462 1.00 15.84 N ATOM 1405 CA THR A 176 2.609 -36.998 17.006 1.00 15.73 C ATOM 1406 C THR A 176 1.162 -37.349 17.299 1.00 16.06 C ATOM 1407 O THR A 176 0.815 -38.522 17.537 1.00 15.43 O ATOM 1408 CB THR A 176 2.701 -36.767 15.520 1.00 15.60 C ATOM 1409 OG1 THR A 176 2.197 -37.913 14.777 1.00 14.28 O ATOM 1410 CG2 THR A 176 4.200 -36.451 15.142 1.00 16.15 C ATOM 1411 HG1 THR A 176 2.270 -37.733 13.806 1.00 0.00 H ATOM 1412 H THR A 176 3.940 -38.676 16.777 1.00 0.00 H ATOM 1413 N ARG A 177 0.333 -36.311 17.353 1.00 16.16 N ATOM 1414 CA ARG A 177 -1.066 -36.512 17.580 1.00 16.05 C ATOM 1415 C ARG A 177 -1.677 -37.370 16.466 1.00 15.69 C ATOM 1416 O ARG A 177 -2.556 -38.181 16.711 1.00 14.81 O ATOM 1417 CB ARG A 177 -1.768 -35.140 17.740 1.00 17.69 C ATOM 1418 CG ARG A 177 -1.465 -34.433 19.062 1.00 18.53 C ATOM 1419 CD ARG A 177 -1.817 -32.934 19.099 1.00 20.39 C ATOM 1420 NE ARG A 177 -3.202 -32.679 18.713 1.00 21.62 N ATOM 1421 CZ ARG A 177 -4.260 -32.767 19.542 1.00 23.64 C ATOM 1422 NH1 ARG A 177 -4.110 -33.107 20.814 1.00 23.35 N ATOM 1423 NH2 ARG A 177 -5.484 -32.470 19.106 1.00 25.41 N ATOM 1424 HE ARG A 177 -3.385 -32.410 17.725 1.00 0.00 H ATOM 1425 HH12 ARG A 177 -4.940 -33.169 21.437 1.00 0.00 H ATOM 1426 HH11 ARG A 177 -3.162 -33.312 21.189 1.00 0.00 H ATOM 1427 HH22 ARG A 177 -6.297 -32.540 19.751 1.00 0.00 H ATOM 1428 HH21 ARG A 177 -5.626 -32.168 18.121 1.00 0.00 H ATOM 1429 H ARG A 177 0.703 -35.347 17.230 1.00 0.00 H ATOM 1430 N ALA A 178 -1.201 -37.209 15.240 1.00 14.96 N ATOM 1431 CA ALA A 178 -1.631 -38.121 14.169 1.00 15.31 C ATOM 1432 C ALA A 178 -1.365 -39.576 14.517 1.00 14.72 C ATOM 1433 O ALA A 178 -2.216 -40.413 14.316 1.00 15.58 O ATOM 1434 CB ALA A 178 -0.911 -37.798 12.860 1.00 15.44 C ATOM 1435 H ALA A 178 -0.528 -36.443 15.036 1.00 0.00 H ATOM 1436 N GLN A 179 -0.138 -39.892 14.911 1.00 14.17 N ATOM 1437 CA GLN A 179 0.215 -41.229 15.284 1.00 13.79 C ATOM 1438 C GLN A 179 -0.669 -41.716 16.446 1.00 14.03 C ATOM 1439 O GLN A 179 -1.007 -42.909 16.474 1.00 13.65 O ATOM 1440 CB GLN A 179 1.667 -41.323 15.694 1.00 13.69 C ATOM 1441 CG GLN A 179 2.613 -41.260 14.490 1.00 14.65 C ATOM 1442 CD GLN A 179 4.059 -41.182 14.921 1.00 15.05 C ATOM 1443 OE1 GLN A 179 4.435 -40.337 15.719 1.00 15.85 O ATOM 1444 NE2 GLN A 179 4.867 -42.053 14.395 1.00 16.91 N ATOM 1445 HE22 GLN A 179 4.505 -42.756 13.719 1.00 0.00 H ATOM 1446 HE21 GLN A 179 5.875 -42.047 14.650 1.00 0.00 H ATOM 1447 H GLN A 179 0.588 -39.148 14.950 1.00 0.00 H ATOM 1448 N LEU A 180 -1.041 -40.808 17.341 1.00 14.01 N ATOM 1449 CA LEU A 180 -1.780 -41.226 18.539 1.00 14.64 C ATOM 1450 C LEU A 180 -3.205 -41.437 18.132 1.00 15.99 C ATOM 1451 O LEU A 180 -3.816 -42.366 18.612 1.00 18.01 O ATOM 1452 CB LEU A 180 -1.619 -40.234 19.671 1.00 14.31 C ATOM 1453 CG LEU A 180 -0.225 -40.027 20.235 1.00 13.77 C ATOM 1454 CD1 LEU A 180 -0.094 -38.777 21.085 1.00 14.30 C ATOM 1455 CD2 LEU A 180 0.278 -41.262 21.003 1.00 13.87 C ATOM 1456 H LEU A 180 -0.810 -39.805 17.194 1.00 0.00 H ATOM 1457 N VAL A 181 -3.717 -40.628 17.215 1.00 17.07 N ATOM 1458 CA VAL A 181 -5.076 -40.794 16.675 1.00 18.29 C ATOM 1459 C VAL A 181 -5.182 -42.104 15.955 1.00 19.25 C ATOM 1460 O VAL A 181 -6.104 -42.905 16.246 1.00 22.04 O ATOM 1461 CB VAL A 181 -5.488 -39.624 15.769 1.00 18.86 C ATOM 1462 CG1 VAL A 181 -6.693 -39.987 14.922 1.00 19.97 C ATOM 1463 CG2 VAL A 181 -5.784 -38.400 16.610 1.00 19.57 C ATOM 1464 H VAL A 181 -3.134 -39.843 16.862 1.00 0.00 H ATOM 1465 N GLU A 182 -4.208 -42.417 15.085 1.00 18.05 N ATOM 1466 CA GLU A 182 -4.210 -43.725 14.403 1.00 18.19 C ATOM 1467 C GLU A 182 -4.117 -44.914 15.376 1.00 17.51 C ATOM 1468 O GLU A 182 -4.786 -45.915 15.170 1.00 17.56 O ATOM 1469 CB GLU A 182 -3.088 -43.795 13.329 1.00 17.62 C ATOM 1470 CG GLU A 182 -3.283 -42.765 12.204 1.00 18.15 C ATOM 1471 CD GLU A 182 -4.389 -43.110 11.244 1.00 18.95 C ATOM 1472 OE1 GLU A 182 -4.594 -44.301 11.023 1.00 20.35 O ATOM 1473 OE2 GLU A 182 -5.000 -42.219 10.655 1.00 19.80 O ATOM 1474 H GLU A 182 -3.448 -41.734 14.891 1.00 0.00 H ATOM 1475 N ALA A 183 -3.269 -44.818 16.412 1.00 16.79 N ATOM 1476 CA ALA A 183 -3.082 -45.898 17.301 1.00 16.80 C ATOM 1477 C ALA A 183 -4.364 -46.083 18.153 1.00 17.96 C ATOM 1478 O ALA A 183 -4.810 -47.190 18.314 1.00 19.77 O ATOM 1479 CB ALA A 183 -1.864 -45.691 18.166 1.00 16.20 C ATOM 1480 H ALA A 183 -2.742 -43.934 16.562 1.00 0.00 H ATOM 1481 N ALA A 184 -4.951 -44.978 18.634 1.00 18.58 N ATOM 1482 CA ALA A 184 -6.120 -45.018 19.503 1.00 20.34 C ATOM 1483 C ALA A 184 -7.313 -45.541 18.715 1.00 22.60 C ATOM 1484 O ALA A 184 -8.069 -46.354 19.208 1.00 22.54 O ATOM 1485 CB ALA A 184 -6.427 -43.628 20.053 1.00 20.51 C ATOM 1486 H ALA A 184 -4.555 -44.052 18.376 1.00 0.00 H ATOM 1487 N PHE A 185 -7.465 -45.083 17.461 1.00 23.03 N ATOM 1488 CA PHE A 185 -8.545 -45.562 16.624 1.00 24.63 C ATOM 1489 C PHE A 185 -8.446 -47.067 16.373 1.00 24.93 C ATOM 1490 O PHE A 185 -9.441 -47.800 16.499 1.00 27.74 O ATOM 1491 CB PHE A 185 -8.539 -44.808 15.311 1.00 24.76 C ATOM 1492 CG PHE A 185 -9.763 -45.006 14.491 1.00 26.31 C ATOM 1493 CD1 PHE A 185 -10.873 -44.180 14.666 1.00 27.11 C ATOM 1494 CD2 PHE A 185 -9.814 -46.022 13.536 1.00 27.08 C ATOM 1495 CE1 PHE A 185 -12.013 -44.348 13.887 1.00 29.09 C ATOM 1496 CE2 PHE A 185 -10.958 -46.186 12.743 1.00 29.08 C ATOM 1497 CZ PHE A 185 -12.048 -45.352 12.922 1.00 29.69 C ATOM 1498 H PHE A 185 -6.799 -44.377 17.087 1.00 0.00 H ATOM 1499 N ALA A 186 -7.254 -47.552 16.056 1.00 23.99 N ATOM 1500 CA ALA A 186 -7.053 -48.997 15.841 1.00 24.38 C ATOM 1501 C ALA A 186 -7.319 -49.780 17.100 1.00 27.21 C ATOM 1502 O ALA A 186 -7.905 -50.853 17.058 1.00 29.08 O ATOM 1503 CB ALA A 186 -5.626 -49.276 15.347 1.00 23.29 C ATOM 1504 H ALA A 186 -6.447 -46.903 15.957 1.00 0.00 H ATOM 1505 N ALA A 187 -6.810 -49.290 18.242 1.00 27.58 N ATOM 1506 CA ALA A 187 -7.068 -49.951 19.534 1.00 28.12 C ATOM 1507 C ALA A 187 -8.571 -50.012 19.850 1.00 30.62 C ATOM 1508 O ALA A 187 -9.051 -51.024 20.291 1.00 31.38 O ATOM 1509 CB ALA A 187 -6.324 -49.247 20.659 1.00 26.51 C ATOM 1510 H ALA A 187 -6.225 -48.431 18.214 1.00 0.00 H ATOM 1511 N ASP A 188 -9.300 -48.919 19.621 1.00 32.93 N ATOM 1512 CA ASP A 188 -10.744 -48.888 19.846 1.00 36.14 C ATOM 1513 C ASP A 188 -11.432 -49.963 19.012 1.00 40.64 C ATOM 1514 O ASP A 188 -12.255 -50.723 19.518 1.00 40.56 O ATOM 1515 CB ASP A 188 -11.316 -47.507 19.534 1.00 36.77 C ATOM 1516 CG ASP A 188 -12.809 -47.400 19.819 1.00 38.80 C ATOM 1517 OD1 ASP A 188 -13.202 -47.335 20.977 1.00 36.55 O ATOM 1518 OD2 ASP A 188 -13.598 -47.395 18.867 1.00 42.19 O ATOM 1519 H ASP A 188 -8.826 -48.062 19.271 1.00 0.00 H ATOM 1520 N GLU A 189 -11.049 -50.077 17.746 1.00 44.52 N ATOM 1521 CA GLU A 189 -11.663 -51.083 16.891 1.00 48.76 C ATOM 1522 C GLU A 189 -11.398 -52.476 17.389 1.00 49.72 C ATOM 1523 O GLU A 189 -12.294 -53.283 17.329 1.00 50.15 O ATOM 1524 CB GLU A 189 -11.233 -50.929 15.437 1.00 53.89 C ATOM 1525 CG GLU A 189 -11.734 -49.613 14.851 1.00 59.14 C ATOM 1526 CD GLU A 189 -11.924 -49.612 13.340 1.00 64.14 C ATOM 1527 OE1 GLU A 189 -11.013 -50.076 12.608 1.00 68.60 O ATOM 1528 OE2 GLU A 189 -12.973 -49.094 12.887 1.00 64.73 O ATOM 1529 H GLU A 189 -10.312 -49.449 17.366 1.00 0.00 H ATOM 1530 N MET A 190 -10.189 -52.765 17.876 1.00 50.27 N ATOM 1531 CA MET A 190 -9.902 -54.088 18.454 1.00 52.61 C ATOM 1532 C MET A 190 -10.664 -54.441 19.725 1.00 54.58 C ATOM 1533 O MET A 190 -10.900 -55.600 19.959 1.00 55.94 O ATOM 1534 CB MET A 190 -8.453 -54.263 18.771 1.00 52.09 C ATOM 1535 CG MET A 190 -7.569 -54.298 17.567 1.00 52.86 C ATOM 1536 SD MET A 190 -5.894 -54.520 18.173 1.00 57.25 S ATOM 1537 CE MET A 190 -5.049 -53.512 16.984 1.00 56.23 C ATOM 1538 H MET A 190 -9.439 -52.045 17.847 1.00 0.00 H ATOM 1539 N SER A 191 -11.021 -53.474 20.561 1.00 58.00 N ATOM 1540 CA SER A 191 -11.962 -53.754 21.667 1.00 61.66 C ATOM 1541 C SER A 191 -13.387 -53.863 21.125 1.00 66.68 C ATOM 1542 O SER A 191 -14.205 -54.576 21.659 1.00 71.36 O ATOM 1543 CB SER A 191 -11.874 -52.668 22.720 1.00 59.48 C ATOM 1544 OG SER A 191 -10.535 -52.413 23.002 1.00 54.55 O ATOM 1545 HG SER A 191 -10.076 -52.115 22.177 1.00 0.00 H ATOM 1546 H SER A 191 -10.637 -52.515 20.438 1.00 0.00 H ATOM 1547 N LYS A 192 -13.647 -53.141 20.040 1.00 71.43 N ATOM 1548 CA LYS A 192 -14.942 -53.091 19.361 1.00 73.74 C ATOM 1549 C LYS A 192 -15.918 -52.304 20.196 1.00 74.36 C ATOM 1550 O LYS A 192 -15.591 -51.196 20.617 1.00 72.40 O ATOM 1551 CB LYS A 192 -15.473 -54.478 19.027 1.00 77.96 C ATOM 1552 CG LYS A 192 -14.512 -55.293 18.176 1.00 78.38 C ATOM 1553 CD LYS A 192 -15.195 -56.501 17.548 1.00 85.74 C ATOM 1554 CE LYS A 192 -15.916 -57.369 18.575 1.00 88.43 C ATOM 1555 NZ LYS A 192 -15.045 -57.648 19.753 1.00 87.22 N ATOM 1556 HZ1 LYS A 192 -14.189 -58.147 19.439 1.00 0.00 H ATOM 1557 HZ2 LYS A 192 -14.778 -56.750 20.206 1.00 0.00 H ATOM 1558 HZ3 LYS A 192 -15.563 -58.240 20.433 1.00 0.00 H ATOM 1559 H LYS A 192 -12.873 -52.570 19.645 1.00 0.00 H TER 1560 LYS A 192 HETATM 1561 O HOH 1 -6.231 -32.652 22.786 1.00 33.37 O HETATM 1562 O HOH 2 6.771 -35.713 17.426 1.00 29.62 O HETATM 1563 O HOH 3 0.576 -30.913 24.429 1.00 37.74 O HETATM 1564 O HOH 4 -6.266 -43.127 8.846 1.00 35.74 O HETATM 1565 O HOH 5 8.789 -51.001 31.569 1.00 22.21 O HETATM 1566 O HOH 6 7.174 -30.800 21.823 1.00 37.01 O HETATM 1567 O HOH 7 -5.934 -35.775 26.488 1.00 31.73 O HETATM 1568 O HOH 8 -9.333 -33.228 36.540 1.00 30.42 O HETATM 1569 O HOH 9 5.333 -33.192 13.577 1.00 27.27 O HETATM 1570 O HOH 10 6.786 -39.567 16.130 1.00 14.17 O HETATM 1571 O HOH 11 5.432 -32.672 16.883 1.00 28.84 O HETATM 1572 O HOH 12 10.366 -43.502 25.168 1.00 28.45 O HETATM 1573 O HOH 13 -10.668 -36.186 5.751 1.00 40.95 O HETATM 1574 O HOH 14 0.837 -48.616 37.427 1.00 36.60 O HETATM 1575 O HOH 15 9.132 -54.321 26.321 1.00 34.04 O HETATM 1576 O HOH 16 9.567 -53.670 14.516 1.00 42.34 O HETATM 1577 O HOH 17 -0.177 -44.885 14.991 1.00 25.01 O HETATM 1578 O HOH 18 -6.644 -32.128 8.716 1.00 42.56 O HETATM 1579 O HOH 19 8.363 -39.407 27.733 1.00 24.02 O HETATM 1580 O HOH 20 3.222 -50.160 34.046 1.00 30.58 O HETATM 1581 O HOH 21 9.521 -37.172 25.397 1.00 44.15 O HETATM 1582 O HOH 22 10.439 -43.520 28.068 1.00 29.40 O HETATM 1583 O HOH 23 4.686 -51.748 10.008 1.00 40.49 O HETATM 1584 O HOH 24 2.537 -51.717 11.960 1.00 19.74 O HETATM 1585 O HOH 25 7.235 -44.064 38.622 1.00 32.68 O HETATM 1586 O HOH 26 -8.851 -43.887 45.867 1.00 22.94 O HETATM 1587 O HOH 27 13.881 -39.545 38.706 1.00 42.91 O HETATM 1588 O HOH 28 10.549 -42.604 11.323 1.00 34.27 O HETATM 1589 O HOH 29 -4.192 -47.119 46.226 1.00 31.34 O HETATM 1590 O HOH 30 3.177 -38.129 12.320 1.00 15.04 O HETATM 1591 O HOH 31 -8.354 -27.668 18.225 1.00 34.77 O HETATM 1592 O HOH 32 2.618 -36.247 45.992 1.00 34.75 O HETATM 1593 O HOH 33 -3.111 -46.496 10.618 1.00 17.97 O HETATM 1594 O HOH 34 -5.683 -54.428 30.399 1.00 39.71 O HETATM 1595 O HOH 35 3.409 -44.474 12.846 1.00 7.20 O HETATM 1596 O HOH 36 13.325 -44.882 28.126 1.00 29.35 O HETATM 1597 O HOH 37 12.009 -41.443 24.081 1.00 31.45 O HETATM 1598 O HOH 38 -6.223 -46.270 12.897 1.00 30.49 O HETATM 1599 O HOH 39 11.472 -38.284 22.385 1.00 27.53 O HETATM 1600 O HOH 40 4.945 -50.364 38.943 1.00 31.85 O HETATM 1601 O HOH 41 -6.284 -37.639 42.136 1.00 28.51 O HETATM 1602 O HOH 42 9.115 -34.456 26.711 1.00 29.11 O HETATM 1603 O HOH 43 12.525 -47.132 38.579 1.00 34.57 O HETATM 1604 O HOH 44 0.908 -57.732 19.009 1.00 23.25 O HETATM 1605 O HOH 45 4.187 -36.569 22.081 1.00 10.59 O HETATM 1606 O HOH 46 -3.997 -56.073 15.320 1.00 40.00 O HETATM 1607 O HOH 47 -0.439 -31.450 34.829 1.00 35.85 O HETATM 1608 O HOH 48 -15.233 -38.384 11.018 1.00 38.64 O HETATM 1609 O HOH 49 4.191 -29.870 19.730 1.00 33.85 O HETATM 1610 O HOH 50 9.508 -33.407 31.503 1.00 47.63 O HETATM 1611 O HOH 51 -7.781 -35.170 42.636 1.00 41.92 O HETATM 1612 O HOH 52 7.707 -63.345 23.977 1.00 37.44 O HETATM 1613 O HOH 53 -1.668 -32.627 22.281 1.00 17.30 O HETATM 1614 O HOH 54 18.013 -48.994 25.551 1.00 38.51 O HETATM 1615 O HOH 55 -10.359 -30.490 13.810 1.00 33.18 O HETATM 1616 O HOH 56 10.698 -36.563 19.245 1.00 27.18 O HETATM 1617 O HOH 57 -6.496 -36.354 7.406 1.00 23.54 O HETATM 1618 O HOH 58 12.584 -39.240 15.155 1.00 36.05 O HETATM 1619 O HOH 59 17.040 -54.765 18.793 1.00 40.61 O HETATM 1620 O HOH 60 -2.035 -56.695 29.686 1.00 35.82 O HETATM 1621 O HOH 61 10.754 -35.230 29.891 1.00 34.45 O HETATM 1622 O HOH 62 5.934 -33.546 35.058 1.00 30.69 O HETATM 1623 O HOH 63 12.713 -50.299 14.947 1.00 29.27 O HETATM 1624 O HOH 64 3.761 -46.299 39.688 1.00 35.18 O HETATM 1625 O HOH 65 -12.398 -46.948 16.296 1.00 33.87 O HETATM 1626 O HOH 66 1.946 -59.692 20.449 1.00 28.57 O HETATM 1627 O HOH 67 -3.488 -30.893 11.750 1.00 25.16 O HETATM 1628 O HOH 68 2.137 -29.301 13.611 1.00 33.30 O HETATM 1629 O HOH 69 7.837 -41.711 14.620 1.00 13.09 O HETATM 1630 O HOH 70 -3.015 -32.625 47.103 1.00 35.46 O HETATM 1631 O HOH 71 15.839 -41.375 17.849 1.00 45.52 O HETATM 1632 O HOH 72 10.381 -51.538 13.791 1.00 35.43 O HETATM 1633 O HOH 73 -4.644 -27.628 23.110 1.00 46.74 O HETATM 1634 O HOH 74 10.946 -66.008 23.016 1.00 37.68 O HETATM 1635 O HOH 75 7.764 -59.981 15.867 1.00 21.23 O HETATM 1636 O HOH 76 15.993 -50.078 29.098 1.00 34.48 O HETATM 1637 O HOH 77 -0.221 -57.077 28.312 1.00 29.75 O HETATM 1638 O HOH 78 -15.191 -37.449 37.263 1.00 51.92 O HETATM 1639 O HOH 79 12.510 -47.319 13.846 1.00 31.11 O HETATM 1640 O HOH 80 -10.521 -21.978 14.633 1.00 48.41 O HETATM 1641 O HOH 81 -6.608 -35.035 23.218 1.00 33.99 O HETATM 1642 O HOH 82 -8.490 -47.906 36.937 1.00 40.68 O HETATM 1643 O HOH 83 0.405 -48.683 11.638 1.00 27.37 O HETATM 1644 O HOH 84 0.037 -29.466 13.246 1.00 17.82 O HETATM 1645 O HOH 85 -9.921 -29.619 17.443 1.00 38.33 O HETATM 1646 O HOH 86 -5.795 -45.444 7.452 1.00 29.38 O HETATM 1647 O HOH 87 1.060 -45.196 12.918 1.00 19.85 O HETATM 1648 O HOH 88 -17.432 -37.584 14.104 1.00 44.88 O HETATM 1649 O HOH 89 -11.063 -49.146 35.979 1.00 32.23 O HETATM 1650 O HOH 90 11.149 -38.928 26.698 1.00 35.13 O HETATM 1651 O HOH 91 0.996 -50.518 10.297 1.00 33.22 O HETATM 1652 O HOH 92 11.262 -37.970 34.629 1.00 37.67 O HETATM 1653 O HOH 93 9.152 -40.590 12.610 1.00 26.62 O HETATM 1654 O HOH 94 3.940 -33.918 11.380 1.00 24.72 O HETATM 1655 O HOH 95 2.633 -46.497 46.588 1.00 34.71 O HETATM 1656 O HOH 96 8.692 -56.782 27.136 1.00 31.87 O HETATM 1657 O HOH 97 12.716 -34.140 23.899 1.00 38.13 O HETATM 1658 C8 UNN A 98 9.927 -47.478 35.885 1.00 0.03 C HETATM 1659 C7 UNN A 98 10.211 -47.877 34.463 1.00 0.17 C HETATM 1660 O7 UNN A 98 10.930 -48.829 34.246 1.00 -0.40 O HETATM 1661 N2 UNN A 98 9.550 -47.194 33.517 1.00 -0.28 N HETATM 1662 C2 UNN A 98 9.718 -47.411 32.041 1.00 0.12 C HETATM 1663 C3 UNN A 98 8.391 -47.727 31.329 1.00 0.11 C HETATM 1664 O3 UNN A 98 7.798 -48.854 31.984 1.00 -0.39 O HETATM 1665 H7 UNN A 98 8.387 -49.597 31.928 1.00 0.21 H HETATM 1666 C4 UNN A 98 7.494 -46.562 31.404 1.00 0.12 C HETATM 1667 O4 UNN A 98 6.319 -46.743 30.606 1.00 -0.34 O HETATM 1668 CAB UNN A 98 5.475 -45.700 30.608 1.00 0.22 C HETATM 1669 CAK UNN A 98 4.369 -46.020 29.617 1.00 -0.00 C HETATM 1670 H9 UNN A 98 3.651 -45.187 29.587 1.00 0.03 H HETATM 1671 H10 UNN A 98 3.851 -46.939 29.929 1.00 0.03 H HETATM 1672 H11 UNN A 98 4.803 -46.166 28.617 1.00 0.03 H HETATM 1673 CAL UNN A 98 4.843 -45.577 32.019 1.00 0.10 C HETATM 1674 OAN UNN A 98 4.469 -44.471 32.482 1.00 -0.54 O HETATM 1675 OAM UNN A 98 4.685 -46.640 32.561 1.00 -0.54 O HETATM 1676 O6 UNN A 98 6.161 -44.481 30.161 1.00 -0.34 O HETATM 1677 C6 UNN A 98 7.234 -44.158 31.006 1.00 0.08 C HETATM 1678 C5 UNN A 98 8.193 -45.322 30.828 1.00 0.11 C HETATM 1679 O5 UNN A 98 9.335 -45.047 31.634 1.00 -0.34 O HETATM 1680 C1 UNN A 98 10.256 -46.112 31.461 1.00 0.18 C HETATM 1681 O1 UNN A 98 11.404 -45.776 32.241 1.00 -0.35 O HETATM 1682 CAU UNN A 98 12.118 -44.626 31.672 1.00 0.04 C HETATM 1683 H16 UNN A 98 12.995 -44.394 32.295 1.00 0.05 H HETATM 1684 H17 UNN A 98 11.447 -43.755 31.644 1.00 0.05 H HETATM 1685 H18 UNN A 98 12.448 -44.868 30.651 1.00 0.05 H HETATM 1686 H15 UNN A 98 10.509 -46.237 30.398 1.00 0.09 H HETATM 1687 H14 UNN A 98 8.469 -45.466 29.773 1.00 0.06 H HETATM 1688 H12 UNN A 98 6.901 -44.080 32.051 1.00 0.06 H HETATM 1689 H13 UNN A 98 7.704 -43.212 30.700 1.00 0.06 H HETATM 1690 H8 UNN A 98 7.213 -46.391 32.454 1.00 0.06 H HETATM 1691 H6 UNN A 98 8.583 -47.971 30.274 1.00 0.06 H HETATM 1692 H5 UNN A 98 10.428 -48.233 31.869 1.00 0.06 H HETATM 1693 H4 UNN A 98 8.902 -46.493 33.815 1.00 0.19 H HETATM 1694 H1 UNN A 98 9.262 -46.601 35.894 1.00 0.05 H HETATM 1695 H2 UNN A 98 10.871 -47.228 36.391 1.00 0.05 H HETATM 1696 H3 UNN A 98 9.440 -48.313 36.410 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1658 1659 1694 1695 1696 CONECT 1659 1658 1660 1661 CONECT 1660 1659 CONECT 1661 1659 1662 1693 CONECT 1662 1661 1663 1680 1692 CONECT 1663 1662 1664 1666 1691 CONECT 1664 1663 1665 CONECT 1665 1664 CONECT 1666 1663 1667 1678 1690 CONECT 1667 1666 1668 CONECT 1668 1667 1669 1673 1676 CONECT 1669 1668 1670 1671 1672 CONECT 1670 1669 CONECT 1671 1669 CONECT 1672 1669 CONECT 1673 1668 1674 1675 CONECT 1674 1673 CONECT 1675 1673 CONECT 1676 1668 1677 CONECT 1677 1676 1678 1688 1689 CONECT 1678 1666 1677 1679 1687 CONECT 1679 1678 1680 CONECT 1680 1662 1679 1681 1686 CONECT 1681 1680 1682 CONECT 1682 1681 1683 1684 1685 CONECT 1683 1682 CONECT 1684 1682 CONECT 1685 1682 CONECT 1686 1680 CONECT 1687 1678 CONECT 1688 1677 CONECT 1689 1677 CONECT 1690 1666 CONECT 1691 1663 CONECT 1692 1662 CONECT 1693 1661 CONECT 1694 1658 CONECT 1695 1658 CONECT 1696 1658 MASTER 0 0 0 0 0 0 0 0 1695 1 43 13 END
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Structure:
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Related entries of code: 6cwh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6cwf
RCSB PDB
PDBbind
182aa, >6CWF_1|Chains... *
6cwi
RCSB PDB
PDBbind
182aa, >6CWI_1|Chains... at 100%
6cwn
RCSB PDB
PDBbind
182aa, >6CWN_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6cwf
RCSB PDB
PDBbind
6LA
6cwi
RCSB PDB
PDBbind
6LA
6cwn
RCSB PDB
PDBbind
6LA
Entry Information
PDB ID
6cwh
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Surface (S-) layer glycoprotein
Ligand Name
6LA
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=29nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 3120-3120
Ligand Properties
Formula
C
1
2
H
1
9
NO
8
Molecular Weight
305.281
Exact Mass
305.111
No. of atoms
40
No. of bonds
41
Polar Surface Area
123.55
LOGP Value
-0.96 (
Computed with XLOGP3
)
-1.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 2
Canonical SMILES
CO[C@@H]1O[C@@H]2CO[C@](O[C@H]2[C@@H]([C@@H]1NC(=O)C)O)(C)C(=O)O
InChI String
InChI=1S/C12H19NO8/c1-5(14)13-7-8(15)9-6(20-10(7)18-3)4-19-12(2,21-9)11(16)17/h6-10,15H,4H2,1-3H3,(H,13,14)(H,16,17)/t6-,7+,8-,9-,10-,12+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
C1JZ07
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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