Browse entries in the PDBbind-CN Database
HEADER 5D45_COMPLEX COMPND 5D45_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 135 GLY SER HIS MET CYS ASP ALA PHE VAL GLY THR TRP LYS SEQRES 2 A 135 LEU VAL SER SER GLU ASN PHE ASP ASP TYR MET LYS GLU SEQRES 3 A 135 VAL GLY VAL GLY PHE ALA THR ARG LYS VAL ALA GLY MET SEQRES 4 A 135 ALA LYS PRO ASN MET ILE ILE SER VAL ASN GLY ASP VAL SEQRES 5 A 135 ILE THR ILE LYS SER GLU SER THR PHE LYS ASN THR GLU SEQRES 6 A 135 ILE SER PHE ILE LEU GLY GLN GLU PHE ASP GLU VAL THR SEQRES 7 A 135 ALA ASP ASP ARG LYS VAL LYS SER THR ILE THR LEU ASP SEQRES 8 A 135 GLY GLY VAL LEU VAL HIS VAL GLN LYS TRP ASP GLY LYS SEQRES 9 A 135 SER THR THR ILE LYS ARG LYS ARG GLU ASP ASP LYS LEU SEQRES 10 A 135 VAL VAL GLU CYS VAL MET LYS GLY VAL THR SER THR ARG SEQRES 11 A 135 VAL TYR GLU ARG ALA HET UNN A 256 51 ATOM 1 N GLY A -3 -9.003 -23.292 7.270 1.00 46.69 N ATOM 2 CA GLY A -3 -8.815 -21.877 7.711 1.00 44.62 C ATOM 3 C GLY A -3 -8.258 -20.916 6.665 1.00 47.12 C ATOM 4 O GLY A -3 -8.209 -21.233 5.466 1.00 47.92 O ATOM 5 HN3 GLY A -3 -8.087 -23.686 6.975 1.00 0.00 H ATOM 6 HN2 GLY A -3 -9.668 -23.319 6.470 1.00 0.00 H ATOM 7 HN1 GLY A -3 -9.385 -23.852 8.059 1.00 0.00 H ATOM 8 N SER A -2 -7.831 -19.740 7.126 1.00 44.17 N ATOM 9 CA SER A -2 -7.407 -18.664 6.235 1.00 45.08 C ATOM 10 C SER A -2 -6.203 -19.023 5.364 1.00 42.89 C ATOM 11 O SER A -2 -5.482 -19.987 5.609 1.00 43.65 O ATOM 12 CB SER A -2 -7.124 -17.359 7.000 1.00 52.86 C ATOM 13 OG SER A -2 -7.129 -16.241 6.103 1.00 58.63 O ATOM 14 HG SER A -2 -6.430 -16.369 5.414 1.00 0.00 H ATOM 15 H SER A -2 -7.799 -19.584 8.154 1.00 0.00 H ATOM 16 N HIS A -1 -6.011 -18.229 4.321 1.00 35.84 N ATOM 17 CA HIS A -1 -4.915 -18.462 3.394 1.00 32.26 C ATOM 18 C HIS A -1 -4.444 -17.066 3.004 1.00 26.65 C ATOM 19 O HIS A -1 -5.135 -16.038 3.262 1.00 23.89 O ATOM 20 CB HIS A -1 -5.400 -19.580 2.361 1.00 37.15 C ATOM 21 CG HIS A -1 -5.024 -19.431 0.855 1.00 48.39 C ATOM 22 ND1 HIS A -1 -4.042 -18.626 0.369 1.00 49.79 N ATOM 23 CD2 HIS A -1 -5.548 -20.127 -0.284 1.00 46.47 C ATOM 24 CE1 HIS A -1 -3.968 -18.758 -0.989 1.00 43.63 C ATOM 25 NE2 HIS A -1 -4.887 -19.672 -1.382 1.00 42.86 N ATOM 26 H HIS A -1 -6.654 -17.427 4.163 1.00 0.00 H ATOM 27 N MET A 0 -3.193 -16.965 2.539 1.00 25.21 N ATOM 28 CA MET A 0 -2.678 -15.694 2.069 1.00 22.15 C ATOM 29 C MET A 0 -3.630 -15.031 1.045 1.00 23.32 C ATOM 30 O MET A 0 -3.766 -13.804 1.056 1.00 22.92 O ATOM 31 CB MET A 0 -1.271 -15.897 1.464 1.00 23.84 C ATOM 32 CG MET A 0 -0.599 -14.647 0.932 1.00 20.39 C ATOM 33 SD MET A 0 -1.006 -14.263 -0.791 1.00 21.15 S ATOM 34 CE MET A 0 -0.735 -12.505 -0.723 1.00 18.97 C ATOM 35 H MET A 0 -2.584 -17.808 2.515 1.00 0.00 H ATOM 36 N CYS A 1 -4.226 -15.814 0.144 1.00 25.57 N ATOM 37 CA CYS A 1 -5.008 -15.175 -0.916 1.00 29.21 C ATOM 38 C CYS A 1 -6.349 -14.626 -0.412 1.00 29.16 C ATOM 39 O CYS A 1 -6.986 -13.818 -1.105 1.00 25.65 O ATOM 40 CB CYS A 1 -5.125 -16.027 -2.184 1.00 37.45 C ATOM 41 SG CYS A 1 -6.192 -17.425 -1.936 1.00 52.43 S ATOM 42 H CYS A 1 -4.138 -16.849 0.193 1.00 0.00 H ATOM 43 N ASP A 2 -6.744 -14.941 0.827 1.00 27.37 N ATOM 44 CA ASP A 2 -7.871 -14.209 1.414 1.00 26.96 C ATOM 45 C ASP A 2 -7.733 -12.625 1.410 1.00 28.23 C ATOM 46 O ASP A 2 -8.742 -11.954 1.570 1.00 24.34 O ATOM 47 CB ASP A 2 -8.353 -14.859 2.742 1.00 33.63 C ATOM 48 CG ASP A 2 -9.136 -16.206 2.509 1.00 37.30 C ATOM 49 OD1 ASP A 2 -8.865 -16.911 1.510 1.00 40.95 O ATOM 50 OD2 ASP A 2 -10.053 -16.560 3.295 1.00 46.05 O ATOM 51 H ASP A 2 -6.261 -15.690 1.363 1.00 0.00 H ATOM 52 N ALA A 3 -6.521 -12.059 1.123 1.00 25.77 N ATOM 53 CA ALA A 3 -6.242 -10.606 0.951 1.00 24.60 C ATOM 54 C ALA A 3 -6.801 -10.019 -0.401 1.00 21.67 C ATOM 55 O ALA A 3 -6.813 -8.779 -0.678 1.00 22.53 O ATOM 56 CB ALA A 3 -4.780 -10.355 0.984 1.00 28.10 C ATOM 57 H ALA A 3 -5.715 -12.707 1.014 1.00 0.00 H ATOM 58 N PHE A 4 -7.155 -10.935 -1.274 1.00 15.08 N ATOM 59 CA PHE A 4 -7.835 -10.587 -2.543 1.00 13.44 C ATOM 60 C PHE A 4 -9.335 -10.711 -2.364 1.00 13.42 C ATOM 61 O PHE A 4 -10.103 -10.161 -3.160 1.00 11.26 O ATOM 62 CB PHE A 4 -7.424 -11.598 -3.644 1.00 13.88 C ATOM 63 CG PHE A 4 -6.029 -11.425 -4.097 1.00 13.83 C ATOM 64 CD1 PHE A 4 -5.697 -10.332 -4.872 1.00 14.96 C ATOM 65 CD2 PHE A 4 -5.061 -12.322 -3.701 1.00 13.41 C ATOM 66 CE1 PHE A 4 -4.394 -10.124 -5.276 1.00 14.34 C ATOM 67 CE2 PHE A 4 -3.715 -12.129 -4.069 1.00 13.52 C ATOM 68 CZ PHE A 4 -3.410 -11.030 -4.855 1.00 14.26 C ATOM 69 H PHE A 4 -6.952 -11.934 -1.068 1.00 0.00 H ATOM 70 N VAL A 5 -9.786 -11.429 -1.366 1.00 12.80 N ATOM 71 CA VAL A 5 -11.247 -11.749 -1.269 1.00 13.97 C ATOM 72 C VAL A 5 -12.050 -10.486 -0.993 1.00 14.45 C ATOM 73 O VAL A 5 -11.615 -9.644 -0.170 1.00 15.63 O ATOM 74 CB VAL A 5 -11.530 -12.779 -0.174 1.00 14.57 C ATOM 75 CG1 VAL A 5 -13.078 -12.842 0.181 1.00 15.08 C ATOM 76 CG2 VAL A 5 -11.003 -14.161 -0.690 1.00 14.49 C ATOM 77 H VAL A 5 -9.129 -11.778 -0.639 1.00 0.00 H ATOM 78 N GLY A 6 -13.177 -10.305 -1.705 1.00 13.59 N ATOM 79 CA GLY A 6 -14.105 -9.214 -1.383 1.00 14.75 C ATOM 80 C GLY A 6 -14.725 -8.627 -2.615 1.00 14.27 C ATOM 81 O GLY A 6 -14.778 -9.316 -3.655 1.00 14.51 O ATOM 82 H GLY A 6 -13.394 -10.947 -2.494 1.00 0.00 H ATOM 83 N THR A 7 -15.252 -7.400 -2.524 1.00 14.87 N ATOM 84 CA THR A 7 -15.913 -6.724 -3.633 1.00 14.09 C ATOM 85 C THR A 7 -15.166 -5.445 -3.981 1.00 13.96 C ATOM 86 O THR A 7 -14.783 -4.641 -3.077 1.00 15.06 O ATOM 87 CB THR A 7 -17.391 -6.377 -3.302 1.00 16.55 C ATOM 88 OG1 THR A 7 -18.021 -7.560 -2.782 1.00 21.67 O ATOM 89 CG2 THR A 7 -18.091 -6.022 -4.521 1.00 17.00 C ATOM 90 HG1 THR A 7 -18.966 -7.361 -2.564 1.00 0.00 H ATOM 91 H THR A 7 -15.186 -6.902 -1.613 1.00 0.00 H ATOM 92 N TRP A 8 -14.799 -5.316 -5.247 1.00 12.10 N ATOM 93 CA TRP A 8 -13.893 -4.241 -5.647 1.00 11.11 C ATOM 94 C TRP A 8 -14.537 -3.434 -6.771 1.00 11.75 C ATOM 95 O TRP A 8 -15.286 -3.970 -7.547 1.00 12.93 O ATOM 96 CB TRP A 8 -12.565 -4.835 -6.188 1.00 12.05 C ATOM 97 CG TRP A 8 -11.832 -5.682 -5.170 1.00 11.21 C ATOM 98 CD1 TRP A 8 -12.016 -7.064 -4.875 1.00 10.45 C ATOM 99 CD2 TRP A 8 -10.849 -5.203 -4.235 1.00 10.59 C ATOM 100 NE1 TRP A 8 -11.250 -7.444 -3.825 1.00 10.95 N ATOM 101 CE2 TRP A 8 -10.464 -6.370 -3.422 1.00 11.03 C ATOM 102 CE3 TRP A 8 -10.208 -3.954 -4.019 1.00 11.66 C ATOM 103 CZ2 TRP A 8 -9.477 -6.272 -2.429 1.00 11.74 C ATOM 104 CZ3 TRP A 8 -9.254 -3.868 -2.992 1.00 12.24 C ATOM 105 CH2 TRP A 8 -8.913 -5.016 -2.212 1.00 11.99 C ATOM 106 HE1 TRP A 8 -11.250 -8.388 -3.389 1.00 0.00 H ATOM 107 H TRP A 8 -15.157 -5.983 -5.960 1.00 0.00 H ATOM 108 N LYS A 9 -14.201 -2.139 -6.871 1.00 12.46 N ATOM 109 CA LYS A 9 -14.753 -1.289 -7.927 1.00 13.07 C ATOM 110 C LYS A 9 -13.583 -0.607 -8.648 1.00 11.91 C ATOM 111 O LYS A 9 -12.589 -0.164 -8.030 1.00 13.55 O ATOM 112 CB LYS A 9 -15.667 -0.223 -7.378 1.00 15.89 C ATOM 113 CG LYS A 9 -15.031 0.740 -6.428 1.00 21.56 C ATOM 114 CD LYS A 9 -16.207 1.518 -5.843 1.00 28.10 C ATOM 115 CE LYS A 9 -15.706 2.294 -4.648 1.00 32.15 C ATOM 116 NZ LYS A 9 -14.927 3.412 -5.214 1.00 37.03 N ATOM 117 HZ1 LYS A 9 -14.142 3.034 -5.782 1.00 0.00 H ATOM 118 HZ2 LYS A 9 -15.544 3.993 -5.817 1.00 0.00 H ATOM 119 HZ3 LYS A 9 -14.548 3.995 -4.441 1.00 0.00 H ATOM 120 H LYS A 9 -13.535 -1.731 -6.184 1.00 0.00 H ATOM 121 N LEU A 10 -13.701 -0.571 -9.959 1.00 12.13 N ATOM 122 CA LEU A 10 -12.639 0.046 -10.780 1.00 12.96 C ATOM 123 C LEU A 10 -12.603 1.544 -10.563 1.00 14.24 C ATOM 124 O LEU A 10 -13.597 2.257 -10.816 1.00 15.25 O ATOM 125 CB LEU A 10 -12.935 -0.234 -12.272 1.00 13.45 C ATOM 126 CG LEU A 10 -11.798 0.171 -13.228 1.00 13.58 C ATOM 127 CD1 LEU A 10 -10.532 -0.611 -13.075 1.00 13.81 C ATOM 128 CD2 LEU A 10 -12.372 0.084 -14.669 1.00 15.80 C ATOM 129 H LEU A 10 -14.542 -0.977 -10.417 1.00 0.00 H ATOM 130 N VAL A 11 -11.456 2.058 -10.188 1.00 12.81 N ATOM 131 CA VAL A 11 -11.255 3.532 -10.056 1.00 15.45 C ATOM 132 C VAL A 11 -10.256 4.260 -11.005 1.00 19.24 C ATOM 133 O VAL A 11 -10.289 5.520 -11.083 1.00 21.45 O ATOM 134 CB VAL A 11 -10.976 3.882 -8.605 1.00 17.03 C ATOM 135 CG1 VAL A 11 -12.051 3.317 -7.719 1.00 18.39 C ATOM 136 CG2 VAL A 11 -9.568 3.435 -8.158 1.00 17.59 C ATOM 137 H VAL A 11 -10.663 1.420 -9.976 1.00 0.00 H ATOM 138 N SER A 12 -9.438 3.517 -11.733 1.00 16.51 N ATOM 139 CA SER A 12 -8.421 4.069 -12.619 1.00 18.64 C ATOM 140 C SER A 12 -8.175 3.062 -13.741 1.00 17.81 C ATOM 141 O SER A 12 -8.162 1.851 -13.506 1.00 16.35 O ATOM 142 CB SER A 12 -7.090 4.304 -11.863 1.00 18.15 C ATOM 143 OG SER A 12 -6.253 5.031 -12.753 1.00 28.56 O ATOM 144 HG SER A 12 -6.107 4.500 -13.576 1.00 0.00 H ATOM 145 H SER A 12 -9.526 2.483 -11.669 1.00 0.00 H ATOM 146 N SER A 13 -8.070 3.541 -14.976 1.00 17.20 N ATOM 147 CA SER A 13 -7.723 2.633 -16.088 1.00 17.55 C ATOM 148 C SER A 13 -6.737 3.390 -16.968 1.00 19.13 C ATOM 149 O SER A 13 -7.055 4.549 -17.372 1.00 20.23 O ATOM 150 CB SER A 13 -9.001 2.285 -16.851 1.00 17.76 C ATOM 151 OG SER A 13 -8.769 1.454 -17.977 1.00 16.94 O ATOM 152 HG SER A 13 -9.629 1.264 -18.428 1.00 0.00 H ATOM 153 H SER A 13 -8.232 4.552 -15.159 1.00 0.00 H ATOM 154 N GLU A 14 -5.556 2.800 -17.208 1.00 16.43 N ATOM 155 CA GLU A 14 -4.524 3.449 -17.997 1.00 17.86 C ATOM 156 C GLU A 14 -4.123 2.517 -19.138 1.00 15.45 C ATOM 157 O GLU A 14 -3.798 1.349 -18.899 1.00 13.67 O ATOM 158 CB GLU A 14 -3.280 3.782 -17.149 1.00 19.43 C ATOM 159 CG GLU A 14 -3.425 5.092 -16.342 1.00 22.20 C ATOM 160 CD GLU A 14 -3.367 6.425 -17.146 1.00 24.91 C ATOM 161 OE1 GLU A 14 -3.071 6.471 -18.349 1.00 25.10 O ATOM 162 OE2 GLU A 14 -3.635 7.489 -16.549 1.00 27.37 O ATOM 163 H GLU A 14 -5.375 1.853 -16.819 1.00 0.00 H ATOM 164 N ASN A 15 -4.161 3.073 -20.351 1.00 16.03 N ATOM 165 CA ASN A 15 -3.713 2.405 -21.581 1.00 15.93 C ATOM 166 C ASN A 15 -4.477 1.175 -21.912 1.00 13.72 C ATOM 167 O ASN A 15 -3.937 0.308 -22.591 1.00 13.44 O ATOM 168 CB ASN A 15 -2.309 1.942 -21.406 1.00 15.76 C ATOM 169 CG ASN A 15 -1.352 2.890 -21.988 1.00 18.85 C ATOM 170 OD1 ASN A 15 -0.758 3.644 -21.239 1.00 17.62 O ATOM 171 ND2 ASN A 15 -1.279 2.941 -23.334 1.00 16.19 N ATOM 172 HD22 ASN A 15 -1.816 2.262 -23.910 1.00 0.00 H ATOM 173 HD21 ASN A 15 -0.685 3.659 -23.796 1.00 0.00 H ATOM 174 H ASN A 15 -4.532 4.041 -20.431 1.00 0.00 H ATOM 175 N PHE A 16 -5.710 1.056 -21.407 1.00 12.91 N ATOM 176 CA PHE A 16 -6.448 -0.156 -21.705 1.00 13.09 C ATOM 177 C PHE A 16 -6.751 -0.284 -23.198 1.00 13.07 C ATOM 178 O PHE A 16 -6.846 -1.408 -23.723 1.00 11.81 O ATOM 179 CB PHE A 16 -7.752 -0.176 -20.871 1.00 12.70 C ATOM 180 CG PHE A 16 -8.452 -1.572 -20.772 1.00 13.97 C ATOM 181 CD1 PHE A 16 -7.815 -2.654 -20.178 1.00 16.58 C ATOM 182 CD2 PHE A 16 -9.804 -1.715 -21.083 1.00 16.91 C ATOM 183 CE1 PHE A 16 -8.463 -3.913 -20.013 1.00 15.86 C ATOM 184 CE2 PHE A 16 -10.461 -2.956 -20.900 1.00 15.19 C ATOM 185 CZ PHE A 16 -9.783 -4.057 -20.410 1.00 15.48 C ATOM 186 H PHE A 16 -6.125 1.808 -20.820 1.00 0.00 H ATOM 187 N ASP A 17 -7.032 0.856 -23.862 1.00 13.08 N ATOM 188 CA ASP A 17 -7.400 0.736 -25.251 1.00 12.88 C ATOM 189 C ASP A 17 -6.182 0.197 -26.043 1.00 13.09 C ATOM 190 O ASP A 17 -6.391 -0.699 -26.927 1.00 12.72 O ATOM 191 CB ASP A 17 -7.825 2.117 -25.792 1.00 15.45 C ATOM 192 CG ASP A 17 -8.379 2.037 -27.182 1.00 16.76 C ATOM 193 OD1 ASP A 17 -7.766 2.636 -28.127 1.00 22.96 O ATOM 194 OD2 ASP A 17 -9.398 1.348 -27.387 1.00 19.84 O ATOM 195 H ASP A 17 -6.985 1.783 -23.392 1.00 0.00 H ATOM 196 N ASP A 18 -4.957 0.630 -25.735 1.00 14.39 N ATOM 197 CA ASP A 18 -3.788 0.085 -26.454 1.00 14.90 C ATOM 198 C ASP A 18 -3.583 -1.441 -26.109 1.00 14.52 C ATOM 199 O ASP A 18 -3.224 -2.246 -26.992 1.00 11.91 O ATOM 200 CB ASP A 18 -2.481 0.842 -26.139 1.00 19.62 C ATOM 201 CG ASP A 18 -2.270 2.161 -26.998 1.00 27.26 C ATOM 202 OD1 ASP A 18 -1.127 2.431 -27.392 1.00 35.74 O ATOM 203 OD2 ASP A 18 -3.175 2.945 -27.269 1.00 28.95 O ATOM 204 H ASP A 18 -4.827 1.347 -24.993 1.00 0.00 H ATOM 205 N TYR A 19 -3.806 -1.820 -24.834 1.00 13.35 N ATOM 206 CA TYR A 19 -3.789 -3.281 -24.492 1.00 11.84 C ATOM 207 C TYR A 19 -4.774 -4.095 -25.321 1.00 11.68 C ATOM 208 O TYR A 19 -4.421 -5.123 -25.917 1.00 11.20 O ATOM 209 CB TYR A 19 -4.040 -3.468 -23.004 1.00 11.01 C ATOM 210 CG TYR A 19 -4.196 -4.938 -22.606 1.00 10.69 C ATOM 211 CD1 TYR A 19 -3.101 -5.815 -22.525 1.00 11.00 C ATOM 212 CD2 TYR A 19 -5.491 -5.448 -22.369 1.00 11.45 C ATOM 213 CE1 TYR A 19 -3.308 -7.160 -22.162 1.00 9.86 C ATOM 214 CE2 TYR A 19 -5.708 -6.803 -22.070 1.00 11.99 C ATOM 215 CZ TYR A 19 -4.631 -7.657 -21.934 1.00 11.12 C ATOM 216 OH TYR A 19 -4.743 -9.034 -21.657 1.00 10.76 O ATOM 217 HH TYR A 19 -3.839 -9.434 -21.606 1.00 0.00 H ATOM 218 H TYR A 19 -3.987 -1.109 -24.097 1.00 0.00 H ATOM 219 N MET A 20 -6.012 -3.616 -25.386 1.00 11.74 N ATOM 220 CA MET A 20 -7.029 -4.304 -26.140 1.00 12.14 C ATOM 221 C MET A 20 -6.656 -4.356 -27.647 1.00 11.06 C ATOM 222 O MET A 20 -6.916 -5.358 -28.279 1.00 11.23 O ATOM 223 CB MET A 20 -8.394 -3.635 -25.961 1.00 11.24 C ATOM 224 CG MET A 20 -8.970 -3.845 -24.570 1.00 11.75 C ATOM 225 SD MET A 20 -10.721 -3.309 -24.548 1.00 13.33 S ATOM 226 CE MET A 20 -10.478 -1.548 -24.558 1.00 13.18 C ATOM 227 H MET A 20 -6.249 -2.735 -24.887 1.00 0.00 H ATOM 228 N LYS A 21 -6.151 -3.263 -28.211 1.00 13.06 N ATOM 229 CA LYS A 21 -5.599 -3.329 -29.578 1.00 14.40 C ATOM 230 C LYS A 21 -4.560 -4.440 -29.777 1.00 14.89 C ATOM 231 O LYS A 21 -4.691 -5.157 -30.787 1.00 15.17 O ATOM 232 CB LYS A 21 -5.019 -1.982 -30.008 1.00 15.44 C ATOM 233 CG LYS A 21 -6.043 -0.921 -30.313 1.00 14.90 C ATOM 234 CD LYS A 21 -5.343 0.415 -30.659 1.00 19.65 C ATOM 235 CE LYS A 21 -6.358 1.284 -31.376 1.00 21.97 C ATOM 236 NZ LYS A 21 -5.819 2.598 -31.839 1.00 28.21 N ATOM 237 HZ1 LYS A 21 -5.477 3.139 -31.019 1.00 0.00 H ATOM 238 HZ2 LYS A 21 -5.033 2.435 -32.501 1.00 0.00 H ATOM 239 HZ3 LYS A 21 -6.573 3.131 -32.318 1.00 0.00 H ATOM 240 H LYS A 21 -6.145 -2.363 -27.690 1.00 0.00 H ATOM 241 N GLU A 22 -3.597 -4.640 -28.832 1.00 14.58 N ATOM 242 CA GLU A 22 -2.577 -5.698 -28.950 1.00 17.17 C ATOM 243 C GLU A 22 -3.178 -7.116 -28.874 1.00 15.34 C ATOM 244 O GLU A 22 -2.706 -8.073 -29.523 1.00 15.32 O ATOM 245 CB GLU A 22 -1.494 -5.474 -27.877 1.00 17.71 C ATOM 246 CG GLU A 22 -0.092 -5.994 -28.172 1.00 21.60 C ATOM 247 CD GLU A 22 0.560 -5.289 -29.352 1.00 27.37 C ATOM 248 OE1 GLU A 22 0.047 -4.275 -29.849 1.00 27.02 O ATOM 249 OE2 GLU A 22 1.652 -5.717 -29.734 1.00 35.38 O ATOM 250 H GLU A 22 -3.582 -4.022 -27.996 1.00 0.00 H ATOM 251 N VAL A 23 -4.228 -7.258 -28.073 1.00 14.30 N ATOM 252 CA VAL A 23 -4.927 -8.492 -27.909 1.00 14.16 C ATOM 253 C VAL A 23 -5.666 -8.838 -29.203 1.00 15.44 C ATOM 254 O VAL A 23 -5.810 -10.044 -29.525 1.00 16.07 O ATOM 255 CB VAL A 23 -5.878 -8.404 -26.677 1.00 13.61 C ATOM 256 CG1 VAL A 23 -6.977 -9.538 -26.681 1.00 13.35 C ATOM 257 CG2 VAL A 23 -5.030 -8.457 -25.414 1.00 12.78 C ATOM 258 H VAL A 23 -4.557 -6.429 -27.539 1.00 0.00 H ATOM 259 N GLY A 24 -6.127 -7.788 -29.918 1.00 13.54 N ATOM 260 CA GLY A 24 -6.842 -7.992 -31.139 1.00 13.83 C ATOM 261 C GLY A 24 -8.332 -7.714 -31.058 1.00 14.86 C ATOM 262 O GLY A 24 -9.067 -8.155 -31.913 1.00 18.00 O ATOM 263 H GLY A 24 -5.960 -6.820 -29.576 1.00 0.00 H ATOM 264 N VAL A 25 -8.771 -6.939 -30.053 1.00 13.57 N ATOM 265 CA VAL A 25 -10.204 -6.592 -29.870 1.00 12.47 C ATOM 266 C VAL A 25 -10.612 -5.564 -30.936 1.00 13.60 C ATOM 267 O VAL A 25 -9.887 -4.605 -31.150 1.00 13.65 O ATOM 268 CB VAL A 25 -10.464 -5.979 -28.495 1.00 13.65 C ATOM 269 CG1 VAL A 25 -11.969 -5.756 -28.275 1.00 13.49 C ATOM 270 CG2 VAL A 25 -9.849 -6.888 -27.390 1.00 14.00 C ATOM 271 H VAL A 25 -8.078 -6.566 -29.373 1.00 0.00 H ATOM 272 N GLY A 26 -11.751 -5.806 -31.598 1.00 13.97 N ATOM 273 CA GLY A 26 -12.178 -4.871 -32.616 1.00 15.17 C ATOM 274 C GLY A 26 -12.756 -3.570 -32.064 1.00 14.66 C ATOM 275 O GLY A 26 -13.027 -3.422 -30.863 1.00 14.25 O ATOM 276 H GLY A 26 -12.318 -6.651 -31.384 1.00 0.00 H ATOM 277 N PHE A 27 -12.932 -2.617 -32.961 1.00 13.83 N ATOM 278 CA PHE A 27 -13.276 -1.250 -32.580 1.00 13.82 C ATOM 279 C PHE A 27 -14.487 -1.143 -31.657 1.00 13.22 C ATOM 280 O PHE A 27 -14.389 -0.496 -30.578 1.00 13.89 O ATOM 281 CB PHE A 27 -13.552 -0.402 -33.853 1.00 14.70 C ATOM 282 CG PHE A 27 -13.862 1.040 -33.545 1.00 13.59 C ATOM 283 CD1 PHE A 27 -12.866 1.981 -33.427 1.00 14.53 C ATOM 284 CD2 PHE A 27 -15.192 1.435 -33.349 1.00 14.24 C ATOM 285 CE1 PHE A 27 -13.194 3.323 -33.094 1.00 15.83 C ATOM 286 CE2 PHE A 27 -15.532 2.772 -33.033 1.00 14.65 C ATOM 287 CZ PHE A 27 -14.522 3.725 -32.911 1.00 14.67 C ATOM 288 H PHE A 27 -12.822 -2.847 -33.969 1.00 0.00 H ATOM 289 N ALA A 28 -15.632 -1.680 -32.073 1.00 13.23 N ATOM 290 CA ALA A 28 -16.845 -1.399 -31.276 1.00 13.11 C ATOM 291 C ALA A 28 -16.713 -2.038 -29.895 1.00 14.22 C ATOM 292 O ALA A 28 -17.099 -1.440 -28.883 1.00 13.64 O ATOM 293 CB ALA A 28 -18.118 -1.861 -31.947 1.00 13.67 C ATOM 294 H ALA A 28 -15.672 -2.274 -32.926 1.00 0.00 H ATOM 295 N THR A 29 -16.272 -3.304 -29.858 1.00 14.67 N ATOM 296 CA THR A 29 -16.054 -3.935 -28.571 1.00 12.76 C ATOM 297 C THR A 29 -15.039 -3.165 -27.729 1.00 13.33 C ATOM 298 O THR A 29 -15.292 -2.959 -26.488 1.00 13.69 O ATOM 299 CB THR A 29 -15.644 -5.438 -28.785 1.00 13.06 C ATOM 300 OG1 THR A 29 -16.760 -6.078 -29.446 1.00 16.26 O ATOM 301 CG2 THR A 29 -15.418 -6.115 -27.432 1.00 14.46 C ATOM 302 HG1 THR A 29 -16.930 -5.630 -30.312 1.00 0.00 H ATOM 303 H THR A 29 -16.089 -3.825 -30.739 1.00 0.00 H ATOM 304 N ARG A 30 -13.944 -2.631 -28.318 1.00 12.72 N ATOM 305 CA ARG A 30 -13.018 -1.787 -27.499 1.00 14.18 C ATOM 306 C ARG A 30 -13.721 -0.575 -26.906 1.00 14.98 C ATOM 307 O ARG A 30 -13.466 -0.197 -25.758 1.00 14.89 O ATOM 308 CB ARG A 30 -11.785 -1.239 -28.301 1.00 14.55 C ATOM 309 CG ARG A 30 -10.745 -2.313 -28.588 1.00 16.92 C ATOM 310 CD ARG A 30 -9.380 -1.708 -28.882 1.00 13.93 C ATOM 311 NE ARG A 30 -9.470 -0.556 -29.754 1.00 14.83 N ATOM 312 CZ ARG A 30 -9.642 -0.614 -31.074 1.00 15.07 C ATOM 313 NH1 ARG A 30 -9.772 -1.778 -31.728 1.00 14.66 N ATOM 314 NH2 ARG A 30 -9.719 0.557 -31.742 1.00 17.55 N ATOM 315 HE ARG A 30 -9.395 0.385 -29.318 1.00 0.00 H ATOM 316 HH12 ARG A 30 -9.905 -1.783 -32.759 1.00 0.00 H ATOM 317 HH11 ARG A 30 -9.740 -2.676 -31.204 1.00 0.00 H ATOM 318 HH22 ARG A 30 -9.853 0.560 -32.773 1.00 0.00 H ATOM 319 HH21 ARG A 30 -9.644 1.456 -31.225 1.00 0.00 H ATOM 320 H ARG A 30 -13.749 -2.804 -29.325 1.00 0.00 H ATOM 321 N LYS A 31 -14.565 0.086 -27.712 1.00 13.29 N ATOM 322 CA LYS A 31 -15.141 1.345 -27.212 1.00 13.27 C ATOM 323 C LYS A 31 -16.137 1.029 -26.047 1.00 12.99 C ATOM 324 O LYS A 31 -16.153 1.770 -25.026 1.00 15.31 O ATOM 325 CB LYS A 31 -15.972 1.986 -28.311 1.00 14.23 C ATOM 326 CG LYS A 31 -15.131 2.531 -29.414 1.00 19.66 C ATOM 327 CD LYS A 31 -14.251 3.618 -28.869 1.00 21.67 C ATOM 328 CE LYS A 31 -12.906 3.478 -29.530 1.00 25.75 C ATOM 329 NZ LYS A 31 -11.869 4.438 -29.067 1.00 28.61 N ATOM 330 HZ1 LYS A 31 -12.190 5.410 -29.252 1.00 0.00 H ATOM 331 HZ2 LYS A 31 -11.712 4.312 -28.047 1.00 0.00 H ATOM 332 HZ3 LYS A 31 -10.981 4.262 -29.580 1.00 0.00 H ATOM 333 H LYS A 31 -14.804 -0.278 -28.656 1.00 0.00 H ATOM 334 N VAL A 32 -16.948 0.003 -26.230 1.00 12.24 N ATOM 335 CA VAL A 32 -17.974 -0.329 -25.209 1.00 13.04 C ATOM 336 C VAL A 32 -17.287 -0.957 -23.974 1.00 13.70 C ATOM 337 O VAL A 32 -17.663 -0.665 -22.795 1.00 14.60 O ATOM 338 CB VAL A 32 -19.075 -1.250 -25.781 1.00 13.76 C ATOM 339 CG1 VAL A 32 -19.943 -1.827 -24.673 1.00 12.03 C ATOM 340 CG2 VAL A 32 -19.938 -0.450 -26.775 1.00 11.57 C ATOM 341 H VAL A 32 -16.868 -0.574 -27.091 1.00 0.00 H ATOM 342 N ALA A 33 -16.257 -1.802 -24.192 1.00 13.18 N ATOM 343 CA ALA A 33 -15.595 -2.439 -23.025 1.00 13.05 C ATOM 344 C ALA A 33 -14.776 -1.397 -22.295 1.00 14.87 C ATOM 345 O ALA A 33 -14.701 -1.437 -21.064 1.00 13.81 O ATOM 346 CB ALA A 33 -14.710 -3.646 -23.467 1.00 13.14 C ATOM 347 H ALA A 33 -15.933 -2.003 -25.160 1.00 0.00 H ATOM 348 N GLY A 34 -14.149 -0.465 -23.030 1.00 14.40 N ATOM 349 CA GLY A 34 -13.327 0.572 -22.407 1.00 15.52 C ATOM 350 C GLY A 34 -14.096 1.593 -21.571 1.00 15.24 C ATOM 351 O GLY A 34 -13.535 2.236 -20.686 1.00 16.87 O ATOM 352 H GLY A 34 -14.250 -0.481 -24.065 1.00 0.00 H ATOM 353 N MET A 35 -15.399 1.708 -21.844 1.00 14.18 N ATOM 354 CA MET A 35 -16.240 2.567 -21.094 1.00 14.16 C ATOM 355 C MET A 35 -16.623 1.893 -19.770 1.00 13.87 C ATOM 356 O MET A 35 -17.003 2.569 -18.833 1.00 14.66 O ATOM 357 CB MET A 35 -17.571 2.931 -21.865 1.00 15.19 C ATOM 358 CG MET A 35 -17.387 3.962 -22.956 1.00 15.17 C ATOM 359 SD MET A 35 -16.912 5.566 -22.302 1.00 14.42 S ATOM 360 CE MET A 35 -18.379 6.015 -21.443 1.00 17.45 C ATOM 361 H MET A 35 -15.805 1.154 -22.625 1.00 0.00 H ATOM 362 N ALA A 36 -16.618 0.558 -19.762 1.00 13.64 N ATOM 363 CA ALA A 36 -17.133 -0.145 -18.555 1.00 12.32 C ATOM 364 C ALA A 36 -16.342 0.154 -17.271 1.00 13.27 C ATOM 365 O ALA A 36 -15.101 0.337 -17.275 1.00 13.10 O ATOM 366 CB ALA A 36 -17.203 -1.666 -18.815 1.00 12.88 C ATOM 367 H ALA A 36 -16.263 0.022 -20.579 1.00 0.00 H ATOM 368 N LYS A 37 -17.054 0.163 -16.144 1.00 13.75 N ATOM 369 CA LYS A 37 -16.408 0.399 -14.855 1.00 14.28 C ATOM 370 C LYS A 37 -16.812 -0.834 -14.045 1.00 13.45 C ATOM 371 O LYS A 37 -17.685 -0.689 -13.163 1.00 13.71 O ATOM 372 CB LYS A 37 -16.998 1.701 -14.217 1.00 18.28 C ATOM 373 CG LYS A 37 -16.546 2.987 -14.922 1.00 26.64 C ATOM 374 CD LYS A 37 -15.056 3.213 -14.684 1.00 31.89 C ATOM 375 CE LYS A 37 -14.477 4.371 -15.531 1.00 37.72 C ATOM 376 NZ LYS A 37 -13.080 4.131 -16.068 1.00 40.33 N ATOM 377 HZ1 LYS A 37 -12.425 3.984 -15.274 1.00 0.00 H ATOM 378 HZ2 LYS A 37 -13.084 3.287 -16.676 1.00 0.00 H ATOM 379 HZ3 LYS A 37 -12.776 4.957 -16.621 1.00 0.00 H ATOM 380 H LYS A 37 -18.080 0.000 -16.183 1.00 0.00 H ATOM 381 N PRO A 38 -16.270 -2.061 -14.380 1.00 13.26 N ATOM 382 CA PRO A 38 -16.752 -3.253 -13.651 1.00 11.07 C ATOM 383 C PRO A 38 -16.426 -3.261 -12.165 1.00 12.06 C ATOM 384 O PRO A 38 -15.419 -2.700 -11.728 1.00 14.24 O ATOM 385 CB PRO A 38 -16.063 -4.447 -14.328 1.00 11.71 C ATOM 386 CG PRO A 38 -14.817 -3.808 -14.904 1.00 12.03 C ATOM 387 CD PRO A 38 -15.230 -2.421 -15.356 1.00 12.70 C ATOM 388 N ASN A 39 -17.351 -3.843 -11.399 1.00 12.47 N ATOM 389 CA ASN A 39 -16.980 -4.358 -10.085 1.00 13.15 C ATOM 390 C ASN A 39 -16.342 -5.755 -10.271 1.00 13.23 C ATOM 391 O ASN A 39 -16.687 -6.496 -11.203 1.00 14.72 O ATOM 392 CB ASN A 39 -18.227 -4.510 -9.238 1.00 16.12 C ATOM 393 CG ASN A 39 -18.692 -3.181 -8.629 1.00 21.53 C ATOM 394 OD1 ASN A 39 -19.671 -3.164 -7.929 1.00 29.79 O ATOM 395 ND2 ASN A 39 -17.997 -2.113 -8.885 1.00 17.18 N ATOM 396 HD22 ASN A 39 -17.157 -2.173 -9.496 1.00 0.00 H ATOM 397 HD21 ASN A 39 -18.281 -1.198 -8.479 1.00 0.00 H ATOM 398 H ASN A 39 -18.331 -3.929 -11.737 1.00 0.00 H ATOM 399 N MET A 40 -15.441 -6.135 -9.363 1.00 10.56 N ATOM 400 CA MET A 40 -14.816 -7.456 -9.383 1.00 10.68 C ATOM 401 C MET A 40 -15.111 -8.103 -8.043 1.00 10.80 C ATOM 402 O MET A 40 -14.895 -7.486 -7.001 1.00 12.20 O ATOM 403 CB MET A 40 -13.312 -7.288 -9.517 1.00 11.04 C ATOM 404 CG MET A 40 -12.523 -8.597 -9.326 1.00 11.14 C ATOM 405 SD MET A 40 -10.836 -8.564 -9.869 1.00 13.03 S ATOM 406 CE MET A 40 -10.274 -7.040 -9.087 1.00 14.63 C ATOM 407 H MET A 40 -15.173 -5.466 -8.613 1.00 0.00 H ATOM 408 N ILE A 41 -15.608 -9.315 -8.054 1.00 10.22 N ATOM 409 CA ILE A 41 -15.918 -10.024 -6.797 1.00 11.68 C ATOM 410 C ILE A 41 -15.054 -11.295 -6.725 1.00 10.70 C ATOM 411 O ILE A 41 -15.008 -12.075 -7.707 1.00 12.49 O ATOM 412 CB ILE A 41 -17.379 -10.429 -6.744 1.00 14.05 C ATOM 413 CG1 ILE A 41 -18.271 -9.198 -6.829 1.00 17.35 C ATOM 414 CG2 ILE A 41 -17.601 -11.191 -5.430 1.00 15.94 C ATOM 415 CD1 ILE A 41 -18.755 -8.787 -8.216 1.00 24.13 C ATOM 416 H ILE A 41 -15.787 -9.786 -8.964 1.00 0.00 H ATOM 417 N ILE A 42 -14.236 -11.421 -5.663 1.00 10.39 N ATOM 418 CA ILE A 42 -13.269 -12.560 -5.536 1.00 10.46 C ATOM 419 C ILE A 42 -13.672 -13.336 -4.280 1.00 10.60 C ATOM 420 O ILE A 42 -13.829 -12.744 -3.206 1.00 11.25 O ATOM 421 CB ILE A 42 -11.850 -12.037 -5.441 1.00 11.07 C ATOM 422 CG1 ILE A 42 -11.490 -11.300 -6.748 1.00 11.77 C ATOM 423 CG2 ILE A 42 -10.855 -13.227 -5.179 1.00 10.51 C ATOM 424 CD1 ILE A 42 -10.137 -10.610 -6.662 1.00 10.99 C ATOM 425 H ILE A 42 -14.276 -10.707 -4.908 1.00 0.00 H ATOM 426 N SER A 43 -13.870 -14.651 -4.410 1.00 11.60 N ATOM 427 CA SER A 43 -14.176 -15.505 -3.236 1.00 12.61 C ATOM 428 C SER A 43 -13.404 -16.790 -3.280 1.00 12.90 C ATOM 429 O SER A 43 -12.944 -17.233 -4.344 1.00 12.03 O ATOM 430 CB SER A 43 -15.680 -15.789 -3.098 1.00 18.24 C ATOM 431 OG SER A 43 -16.208 -16.281 -4.265 1.00 21.16 O ATOM 432 HG SER A 43 -16.079 -15.619 -4.989 1.00 0.00 H ATOM 433 H SER A 43 -13.808 -15.085 -5.353 1.00 0.00 H ATOM 434 N VAL A 44 -13.249 -17.397 -2.111 1.00 12.89 N ATOM 435 CA VAL A 44 -12.515 -18.700 -2.013 1.00 15.14 C ATOM 436 C VAL A 44 -13.375 -19.708 -1.236 1.00 15.56 C ATOM 437 O VAL A 44 -14.073 -19.356 -0.228 1.00 16.92 O ATOM 438 CB VAL A 44 -11.170 -18.557 -1.323 1.00 15.49 C ATOM 439 CG1 VAL A 44 -10.495 -19.928 -1.260 1.00 19.59 C ATOM 440 CG2 VAL A 44 -10.273 -17.595 -2.097 1.00 16.81 C ATOM 441 H VAL A 44 -13.642 -16.963 -1.251 1.00 0.00 H ATOM 442 N ASN A 45 -13.399 -20.950 -1.734 1.00 13.45 N ATOM 443 CA ASN A 45 -14.167 -22.051 -1.081 1.00 13.09 C ATOM 444 C ASN A 45 -13.311 -23.309 -1.235 1.00 13.42 C ATOM 445 O ASN A 45 -13.171 -23.877 -2.313 1.00 13.01 O ATOM 446 CB ASN A 45 -15.560 -22.180 -1.676 1.00 12.94 C ATOM 447 CG ASN A 45 -16.394 -23.275 -0.995 1.00 13.13 C ATOM 448 OD1 ASN A 45 -15.864 -24.306 -0.617 1.00 14.11 O ATOM 449 ND2 ASN A 45 -17.713 -23.071 -0.922 1.00 12.91 N ATOM 450 HD22 ASN A 45 -18.120 -22.175 -1.257 1.00 0.00 H ATOM 451 HD21 ASN A 45 -18.332 -23.809 -0.530 1.00 0.00 H ATOM 452 H ASN A 45 -12.866 -21.155 -2.603 1.00 0.00 H ATOM 453 N GLY A 46 -12.753 -23.767 -0.124 1.00 15.47 N ATOM 454 CA GLY A 46 -11.648 -24.760 -0.153 1.00 17.37 C ATOM 455 C GLY A 46 -10.531 -24.396 -1.097 1.00 17.26 C ATOM 456 O GLY A 46 -9.827 -23.366 -0.932 1.00 18.54 O ATOM 457 H GLY A 46 -13.098 -23.422 0.794 1.00 0.00 H ATOM 458 N ASP A 47 -10.317 -25.281 -2.067 1.00 17.01 N ATOM 459 CA ASP A 47 -9.243 -25.061 -3.071 1.00 16.22 C ATOM 460 C ASP A 47 -9.708 -24.279 -4.268 1.00 15.13 C ATOM 461 O ASP A 47 -8.905 -24.009 -5.157 1.00 16.19 O ATOM 462 CB ASP A 47 -8.728 -26.415 -3.574 1.00 18.93 C ATOM 463 CG ASP A 47 -8.027 -27.236 -2.471 1.00 25.06 C ATOM 464 OD1 ASP A 47 -7.495 -26.634 -1.518 1.00 26.70 O ATOM 465 OD2 ASP A 47 -7.989 -28.479 -2.604 1.00 34.23 O ATOM 466 H ASP A 47 -10.907 -26.135 -2.123 1.00 0.00 H ATOM 467 N VAL A 48 -10.986 -23.932 -4.298 1.00 12.33 N ATOM 468 CA VAL A 48 -11.577 -23.295 -5.473 1.00 12.01 C ATOM 469 C VAL A 48 -11.681 -21.783 -5.300 1.00 11.75 C ATOM 470 O VAL A 48 -12.368 -21.274 -4.388 1.00 13.33 O ATOM 471 CB VAL A 48 -12.986 -23.869 -5.773 1.00 12.38 C ATOM 472 CG1 VAL A 48 -13.471 -23.236 -7.073 1.00 12.10 C ATOM 473 CG2 VAL A 48 -12.887 -25.396 -5.969 1.00 13.71 C ATOM 474 H VAL A 48 -11.582 -24.117 -3.466 1.00 0.00 H ATOM 475 N ILE A 49 -11.051 -21.036 -6.224 1.00 10.20 N ATOM 476 CA ILE A 49 -11.125 -19.581 -6.192 1.00 10.84 C ATOM 477 C ILE A 49 -12.124 -19.166 -7.285 1.00 10.38 C ATOM 478 O ILE A 49 -12.114 -19.754 -8.358 1.00 11.62 O ATOM 479 CB ILE A 49 -9.741 -18.969 -6.522 1.00 10.78 C ATOM 480 CG1 ILE A 49 -8.726 -19.456 -5.483 1.00 10.80 C ATOM 481 CG2 ILE A 49 -9.777 -17.438 -6.542 1.00 10.16 C ATOM 482 CD1 ILE A 49 -7.282 -19.081 -5.819 1.00 14.29 C ATOM 483 H ILE A 49 -10.502 -21.504 -6.973 1.00 0.00 H ATOM 484 N THR A 50 -12.947 -18.143 -7.020 1.00 9.49 N ATOM 485 CA THR A 50 -13.897 -17.652 -8.032 1.00 10.05 C ATOM 486 C THR A 50 -13.669 -16.144 -8.187 1.00 10.53 C ATOM 487 O THR A 50 -13.512 -15.430 -7.190 1.00 10.47 O ATOM 488 CB THR A 50 -15.393 -17.948 -7.623 1.00 10.80 C ATOM 489 OG1 THR A 50 -15.635 -19.365 -7.531 1.00 11.13 O ATOM 490 CG2 THR A 50 -16.415 -17.300 -8.606 1.00 10.35 C ATOM 491 HG1 THR A 50 -15.457 -19.787 -8.409 1.00 0.00 H ATOM 492 H THR A 50 -12.914 -17.689 -6.085 1.00 0.00 H ATOM 493 N ILE A 51 -13.546 -15.702 -9.443 1.00 9.16 N ATOM 494 CA ILE A 51 -13.398 -14.235 -9.785 1.00 9.46 C ATOM 495 C ILE A 51 -14.539 -13.904 -10.767 1.00 9.64 C ATOM 496 O ILE A 51 -14.644 -14.564 -11.819 1.00 10.38 O ATOM 497 CB ILE A 51 -12.051 -13.912 -10.484 1.00 9.31 C ATOM 498 CG1 ILE A 51 -10.900 -14.264 -9.546 1.00 9.03 C ATOM 499 CG2 ILE A 51 -11.964 -12.437 -10.854 1.00 9.56 C ATOM 500 CD1 ILE A 51 -9.498 -14.096 -10.134 1.00 9.12 C ATOM 501 H ILE A 51 -13.552 -16.396 -10.218 1.00 0.00 H ATOM 502 N LYS A 52 -15.399 -12.963 -10.362 1.00 10.19 N ATOM 503 CA LYS A 52 -16.523 -12.495 -11.163 1.00 11.87 C ATOM 504 C LYS A 52 -16.342 -11.029 -11.527 1.00 11.99 C ATOM 505 O LYS A 52 -15.781 -10.239 -10.770 1.00 10.90 O ATOM 506 CB LYS A 52 -17.813 -12.636 -10.354 1.00 13.20 C ATOM 507 CG LYS A 52 -18.219 -14.022 -9.940 1.00 19.36 C ATOM 508 CD LYS A 52 -19.606 -13.951 -9.223 1.00 25.41 C ATOM 509 CE LYS A 52 -20.307 -15.322 -9.350 1.00 32.35 C ATOM 510 NZ LYS A 52 -21.506 -15.525 -8.460 1.00 36.43 N ATOM 511 HZ1 LYS A 52 -21.217 -15.435 -7.465 1.00 0.00 H ATOM 512 HZ2 LYS A 52 -22.225 -14.807 -8.680 1.00 0.00 H ATOM 513 HZ3 LYS A 52 -21.901 -16.473 -8.623 1.00 0.00 H ATOM 514 H LYS A 52 -15.258 -12.541 -9.422 1.00 0.00 H ATOM 515 N SER A 53 -16.823 -10.657 -12.718 1.00 11.95 N ATOM 516 CA SER A 53 -16.979 -9.219 -13.027 1.00 12.75 C ATOM 517 C SER A 53 -18.469 -8.938 -13.076 1.00 13.16 C ATOM 518 O SER A 53 -19.298 -9.841 -13.372 1.00 15.36 O ATOM 519 CB SER A 53 -16.413 -8.852 -14.378 1.00 12.16 C ATOM 520 OG SER A 53 -17.003 -9.580 -15.449 1.00 12.93 O ATOM 521 HG SER A 53 -16.849 -10.548 -15.312 1.00 0.00 H ATOM 522 H SER A 53 -17.086 -11.375 -13.423 1.00 0.00 H ATOM 523 N GLU A 54 -18.830 -7.705 -12.759 1.00 14.45 N ATOM 524 CA GLU A 54 -20.210 -7.299 -12.936 1.00 17.10 C ATOM 525 C GLU A 54 -20.202 -5.911 -13.586 1.00 15.94 C ATOM 526 O GLU A 54 -19.584 -4.984 -13.022 1.00 14.24 O ATOM 527 CB GLU A 54 -20.876 -7.207 -11.555 1.00 20.24 C ATOM 528 CG GLU A 54 -22.354 -6.990 -11.603 1.00 29.01 C ATOM 529 CD GLU A 54 -22.926 -6.897 -10.193 1.00 35.28 C ATOM 530 OE1 GLU A 54 -23.688 -5.934 -9.935 1.00 44.82 O ATOM 531 OE2 GLU A 54 -22.580 -7.766 -9.354 1.00 33.93 O ATOM 532 H GLU A 54 -18.129 -7.033 -12.386 1.00 0.00 H ATOM 533 N SER A 55 -20.886 -5.746 -14.734 1.00 13.30 N ATOM 534 CA SER A 55 -20.847 -4.415 -15.367 1.00 14.49 C ATOM 535 C SER A 55 -21.993 -4.240 -16.319 1.00 13.84 C ATOM 536 O SER A 55 -22.802 -5.165 -16.490 1.00 13.69 O ATOM 537 CB SER A 55 -19.562 -4.205 -16.150 1.00 13.49 C ATOM 538 OG SER A 55 -19.538 -4.895 -17.373 1.00 15.76 O ATOM 539 HG SER A 55 -19.630 -5.866 -17.204 1.00 0.00 H ATOM 540 H SER A 55 -21.422 -6.529 -15.159 1.00 0.00 H ATOM 541 N THR A 56 -22.080 -3.026 -16.902 1.00 16.00 N ATOM 542 CA THR A 56 -23.118 -2.780 -17.941 1.00 17.93 C ATOM 543 C THR A 56 -22.781 -3.434 -19.258 1.00 17.66 C ATOM 544 O THR A 56 -23.665 -3.593 -20.142 1.00 22.02 O ATOM 545 CB THR A 56 -23.269 -1.258 -18.228 1.00 21.05 C ATOM 546 OG1 THR A 56 -21.964 -0.711 -18.498 1.00 27.40 O ATOM 547 CG2 THR A 56 -23.907 -0.566 -17.018 1.00 21.98 C ATOM 548 HG1 THR A 56 -22.045 0.258 -18.683 1.00 0.00 H ATOM 549 H THR A 56 -21.425 -2.266 -16.627 1.00 0.00 H ATOM 550 N PHE A 57 -21.522 -3.820 -19.419 1.00 16.71 N ATOM 551 CA PHE A 57 -21.090 -4.444 -20.655 1.00 16.86 C ATOM 552 C PHE A 57 -21.288 -5.969 -20.609 1.00 19.29 C ATOM 553 O PHE A 57 -22.237 -6.487 -21.253 1.00 18.36 O ATOM 554 CB PHE A 57 -19.646 -4.045 -20.944 1.00 17.99 C ATOM 555 CG PHE A 57 -19.025 -4.839 -22.030 1.00 21.52 C ATOM 556 CD1 PHE A 57 -19.652 -4.959 -23.279 1.00 21.47 C ATOM 557 CD2 PHE A 57 -17.800 -5.406 -21.842 1.00 18.18 C ATOM 558 CE1 PHE A 57 -19.049 -5.654 -24.306 1.00 23.02 C ATOM 559 CE2 PHE A 57 -17.200 -6.135 -22.841 1.00 22.54 C ATOM 560 CZ PHE A 57 -17.803 -6.242 -24.098 1.00 23.71 C ATOM 561 H PHE A 57 -20.837 -3.674 -18.650 1.00 0.00 H ATOM 562 N LYS A 58 -20.500 -6.651 -19.769 1.00 17.46 N ATOM 563 CA LYS A 58 -20.605 -8.114 -19.579 1.00 16.53 C ATOM 564 C LYS A 58 -20.466 -8.438 -18.096 1.00 14.93 C ATOM 565 O LYS A 58 -19.836 -7.714 -17.329 1.00 13.44 O ATOM 566 CB LYS A 58 -19.532 -8.918 -20.388 1.00 17.61 C ATOM 567 CG LYS A 58 -19.500 -8.683 -21.899 1.00 21.05 C ATOM 568 CD LYS A 58 -20.375 -9.683 -22.618 1.00 30.01 C ATOM 569 CE LYS A 58 -20.279 -9.563 -24.136 1.00 32.43 C ATOM 570 NZ LYS A 58 -21.182 -10.605 -24.730 1.00 38.19 N ATOM 571 HZ1 LYS A 58 -20.872 -11.548 -24.419 1.00 0.00 H ATOM 572 HZ2 LYS A 58 -22.158 -10.437 -24.413 1.00 0.00 H ATOM 573 HZ3 LYS A 58 -21.139 -10.549 -25.768 1.00 0.00 H ATOM 574 H LYS A 58 -19.783 -6.129 -19.226 1.00 0.00 H ATOM 575 N ASN A 59 -21.121 -9.521 -17.670 1.00 14.88 N ATOM 576 CA ASN A 59 -20.790 -10.125 -16.390 1.00 14.92 C ATOM 577 C ASN A 59 -20.026 -11.452 -16.660 1.00 16.25 C ATOM 578 O ASN A 59 -20.497 -12.267 -17.453 1.00 20.30 O ATOM 579 CB ASN A 59 -22.051 -10.444 -15.648 1.00 17.68 C ATOM 580 CG ASN A 59 -22.883 -9.244 -15.343 1.00 21.23 C ATOM 581 OD1 ASN A 59 -22.429 -8.116 -15.182 1.00 19.39 O ATOM 582 ND2 ASN A 59 -24.149 -9.521 -15.149 1.00 24.00 N ATOM 583 HD22 ASN A 59 -24.498 -10.490 -15.296 1.00 0.00 H ATOM 584 HD21 ASN A 59 -24.805 -8.772 -14.848 1.00 0.00 H ATOM 585 H ASN A 59 -21.873 -9.935 -18.258 1.00 0.00 H ATOM 586 N THR A 60 -18.825 -11.633 -16.120 1.00 13.92 N ATOM 587 CA THR A 60 -18.087 -12.864 -16.383 1.00 12.78 C ATOM 588 C THR A 60 -17.831 -13.588 -15.039 1.00 12.55 C ATOM 589 O THR A 60 -17.887 -12.969 -13.988 1.00 12.34 O ATOM 590 CB THR A 60 -16.720 -12.586 -17.007 1.00 12.71 C ATOM 591 OG1 THR A 60 -15.928 -11.838 -16.065 1.00 14.02 O ATOM 592 CG2 THR A 60 -16.882 -11.719 -18.344 1.00 13.17 C ATOM 593 HG1 THR A 60 -16.384 -10.984 -15.857 1.00 0.00 H ATOM 594 H THR A 60 -18.412 -10.898 -15.511 1.00 0.00 H ATOM 595 N GLU A 61 -17.547 -14.902 -15.114 1.00 12.75 N ATOM 596 CA GLU A 61 -17.232 -15.644 -13.921 1.00 13.00 C ATOM 597 C GLU A 61 -16.283 -16.784 -14.232 1.00 11.84 C ATOM 598 O GLU A 61 -16.533 -17.574 -15.187 1.00 13.73 O ATOM 599 CB GLU A 61 -18.520 -16.160 -13.294 1.00 14.98 C ATOM 600 CG GLU A 61 -18.325 -17.146 -12.174 1.00 18.95 C ATOM 601 CD GLU A 61 -19.668 -17.577 -11.602 1.00 25.65 C ATOM 602 OE1 GLU A 61 -19.699 -18.675 -11.033 1.00 28.75 O ATOM 603 OE2 GLU A 61 -20.703 -16.835 -11.753 1.00 29.86 O ATOM 604 H GLU A 61 -17.555 -15.382 -16.036 1.00 0.00 H ATOM 605 N ILE A 62 -15.219 -16.890 -13.429 1.00 10.78 N ATOM 606 CA ILE A 62 -14.336 -18.055 -13.541 1.00 10.17 C ATOM 607 C ILE A 62 -14.109 -18.677 -12.165 1.00 9.30 C ATOM 608 O ILE A 62 -13.927 -17.979 -11.153 1.00 10.50 O ATOM 609 CB ILE A 62 -12.913 -17.727 -14.196 1.00 9.71 C ATOM 610 CG1 ILE A 62 -12.134 -16.600 -13.464 1.00 9.68 C ATOM 611 CG2 ILE A 62 -13.108 -17.407 -15.685 1.00 10.30 C ATOM 612 CD1 ILE A 62 -10.653 -16.458 -13.903 1.00 11.02 C ATOM 613 H ILE A 62 -15.019 -16.149 -12.728 1.00 0.00 H ATOM 614 N SER A 63 -14.106 -20.010 -12.123 1.00 10.13 N ATOM 615 CA SER A 63 -13.739 -20.733 -10.895 1.00 11.19 C ATOM 616 C SER A 63 -12.661 -21.732 -11.260 1.00 11.79 C ATOM 617 O SER A 63 -12.727 -22.363 -12.291 1.00 12.64 O ATOM 618 CB SER A 63 -14.924 -21.503 -10.291 1.00 12.60 C ATOM 619 OG SER A 63 -15.912 -20.612 -9.907 1.00 13.68 O ATOM 620 HG SER A 63 -15.547 -19.987 -9.231 1.00 0.00 H ATOM 621 H SER A 63 -14.368 -20.548 -12.974 1.00 0.00 H ATOM 622 N PHE A 64 -11.682 -21.881 -10.394 1.00 10.25 N ATOM 623 CA PHE A 64 -10.446 -22.602 -10.734 1.00 10.52 C ATOM 624 C PHE A 64 -9.685 -23.006 -9.487 1.00 10.88 C ATOM 625 O PHE A 64 -9.909 -22.463 -8.398 1.00 11.39 O ATOM 626 CB PHE A 64 -9.506 -21.708 -11.621 1.00 10.64 C ATOM 627 CG PHE A 64 -9.138 -20.395 -11.006 1.00 9.83 C ATOM 628 CD1 PHE A 64 -9.963 -19.253 -11.146 1.00 10.32 C ATOM 629 CD2 PHE A 64 -7.969 -20.289 -10.216 1.00 10.43 C ATOM 630 CE1 PHE A 64 -9.670 -18.052 -10.528 1.00 10.93 C ATOM 631 CE2 PHE A 64 -7.652 -19.081 -9.632 1.00 11.48 C ATOM 632 CZ PHE A 64 -8.490 -17.965 -9.803 1.00 10.76 C ATOM 633 H PHE A 64 -11.785 -21.477 -9.441 1.00 0.00 H ATOM 634 N ILE A 65 -8.740 -23.959 -9.681 1.00 10.66 N ATOM 635 CA ILE A 65 -7.812 -24.403 -8.632 1.00 10.57 C ATOM 636 C ILE A 65 -6.419 -23.946 -9.119 1.00 11.05 C ATOM 637 O ILE A 65 -6.137 -24.058 -10.293 1.00 11.14 O ATOM 638 CB ILE A 65 -7.876 -25.983 -8.481 1.00 12.26 C ATOM 639 CG1 ILE A 65 -9.343 -26.354 -8.067 1.00 13.46 C ATOM 640 CG2 ILE A 65 -6.779 -26.466 -7.516 1.00 11.80 C ATOM 641 CD1 ILE A 65 -9.586 -27.858 -7.916 1.00 17.31 C ATOM 642 H ILE A 65 -8.668 -24.398 -10.621 1.00 0.00 H ATOM 643 N LEU A 66 -5.606 -23.389 -8.222 1.00 10.28 N ATOM 644 CA LEU A 66 -4.247 -22.901 -8.634 1.00 11.38 C ATOM 645 C LEU A 66 -3.407 -24.010 -9.280 1.00 12.22 C ATOM 646 O LEU A 66 -3.382 -25.176 -8.838 1.00 13.43 O ATOM 647 CB LEU A 66 -3.483 -22.369 -7.432 1.00 12.05 C ATOM 648 CG LEU A 66 -4.125 -21.140 -6.721 1.00 12.10 C ATOM 649 CD1 LEU A 66 -3.444 -20.938 -5.371 1.00 13.40 C ATOM 650 CD2 LEU A 66 -4.049 -19.855 -7.595 1.00 13.14 C ATOM 651 H LEU A 66 -5.914 -23.292 -7.233 1.00 0.00 H ATOM 652 N GLY A 67 -2.787 -23.648 -10.378 1.00 10.92 N ATOM 653 CA GLY A 67 -1.955 -24.533 -11.146 1.00 12.15 C ATOM 654 C GLY A 67 -2.667 -25.492 -12.074 1.00 13.04 C ATOM 655 O GLY A 67 -1.971 -26.205 -12.814 1.00 13.72 O ATOM 656 H GLY A 67 -2.904 -22.669 -10.710 1.00 0.00 H ATOM 657 N GLN A 68 -4.015 -25.493 -12.112 1.00 13.26 N ATOM 658 CA GLN A 68 -4.819 -26.484 -12.864 1.00 13.05 C ATOM 659 C GLN A 68 -5.512 -25.747 -14.029 1.00 12.43 C ATOM 660 O GLN A 68 -6.363 -24.904 -13.819 1.00 11.12 O ATOM 661 CB GLN A 68 -5.824 -27.256 -11.991 1.00 14.79 C ATOM 662 CG GLN A 68 -5.048 -27.950 -10.853 1.00 15.53 C ATOM 663 CD GLN A 68 -5.847 -28.931 -10.030 1.00 18.44 C ATOM 664 OE1 GLN A 68 -7.040 -29.198 -10.284 1.00 19.04 O ATOM 665 NE2 GLN A 68 -5.159 -29.498 -9.025 1.00 19.31 N ATOM 666 HE22 GLN A 68 -4.166 -29.236 -8.862 1.00 0.00 H ATOM 667 HE21 GLN A 68 -5.619 -30.199 -8.410 1.00 0.00 H ATOM 668 H GLN A 68 -4.520 -24.754 -11.582 1.00 0.00 H ATOM 669 N GLU A 69 -5.131 -26.086 -15.257 1.00 11.30 N ATOM 670 CA GLU A 69 -5.524 -25.371 -16.439 1.00 13.23 C ATOM 671 C GLU A 69 -7.045 -25.580 -16.622 1.00 12.91 C ATOM 672 O GLU A 69 -7.614 -26.692 -16.328 1.00 12.55 O ATOM 673 CB GLU A 69 -4.799 -25.959 -17.657 1.00 14.96 C ATOM 674 CG GLU A 69 -5.237 -25.365 -18.984 1.00 18.67 C ATOM 675 CD GLU A 69 -4.333 -25.860 -20.087 1.00 22.76 C ATOM 676 OE1 GLU A 69 -4.429 -27.044 -20.349 1.00 27.37 O ATOM 677 OE2 GLU A 69 -3.548 -25.069 -20.639 1.00 25.38 O ATOM 678 H GLU A 69 -4.514 -26.916 -15.368 1.00 0.00 H ATOM 679 N PHE A 70 -7.688 -24.550 -17.137 1.00 12.10 N ATOM 680 CA PHE A 70 -9.138 -24.569 -17.395 1.00 12.00 C ATOM 681 C PHE A 70 -9.502 -23.808 -18.694 1.00 14.32 C ATOM 682 O PHE A 70 -8.732 -23.016 -19.208 1.00 12.70 O ATOM 683 CB PHE A 70 -9.969 -24.017 -16.187 1.00 10.82 C ATOM 684 CG PHE A 70 -9.628 -22.563 -15.823 1.00 11.71 C ATOM 685 CD1 PHE A 70 -8.498 -22.271 -15.034 1.00 10.83 C ATOM 686 CD2 PHE A 70 -10.454 -21.504 -16.221 1.00 10.94 C ATOM 687 CE1 PHE A 70 -8.176 -20.939 -14.680 1.00 10.84 C ATOM 688 CE2 PHE A 70 -10.138 -20.194 -15.860 1.00 12.35 C ATOM 689 CZ PHE A 70 -8.995 -19.887 -15.082 1.00 11.26 C ATOM 690 H PHE A 70 -7.150 -23.691 -17.370 1.00 0.00 H ATOM 691 N ASP A 71 -10.755 -24.031 -19.155 1.00 12.69 N ATOM 692 CA ASP A 71 -11.296 -23.263 -20.297 1.00 16.59 C ATOM 693 C ASP A 71 -12.016 -22.036 -19.861 1.00 14.13 C ATOM 694 O ASP A 71 -12.709 -22.057 -18.840 1.00 16.91 O ATOM 695 CB ASP A 71 -12.347 -24.092 -21.048 1.00 19.37 C ATOM 696 CG ASP A 71 -11.774 -25.286 -21.637 1.00 24.29 C ATOM 697 OD1 ASP A 71 -10.731 -25.178 -22.330 1.00 25.92 O ATOM 698 OD2 ASP A 71 -12.387 -26.344 -21.376 1.00 23.17 O ATOM 699 H ASP A 71 -11.347 -24.754 -18.699 1.00 0.00 H ATOM 700 N GLU A 72 -11.760 -20.912 -20.547 1.00 13.30 N ATOM 701 CA GLU A 72 -12.328 -19.604 -20.160 1.00 13.68 C ATOM 702 C GLU A 72 -12.860 -18.941 -21.446 1.00 15.45 C ATOM 703 O GLU A 72 -12.213 -19.017 -22.457 1.00 16.15 O ATOM 704 CB GLU A 72 -11.236 -18.679 -19.530 1.00 12.91 C ATOM 705 CG GLU A 72 -11.805 -17.273 -19.217 1.00 14.23 C ATOM 706 CD GLU A 72 -10.793 -16.380 -18.525 1.00 13.67 C ATOM 707 OE1 GLU A 72 -9.607 -16.758 -18.447 1.00 14.03 O ATOM 708 OE2 GLU A 72 -11.182 -15.270 -18.103 1.00 15.61 O ATOM 709 H GLU A 72 -11.140 -20.963 -21.380 1.00 0.00 H ATOM 710 N VAL A 73 -14.041 -18.349 -21.403 1.00 16.58 N ATOM 711 CA VAL A 73 -14.460 -17.436 -22.509 1.00 17.46 C ATOM 712 C VAL A 73 -14.370 -15.992 -21.928 1.00 16.26 C ATOM 713 O VAL A 73 -15.029 -15.650 -20.914 1.00 17.24 O ATOM 714 CB VAL A 73 -15.902 -17.755 -22.947 1.00 22.02 C ATOM 715 CG1 VAL A 73 -16.456 -16.700 -23.945 1.00 25.34 C ATOM 716 CG2 VAL A 73 -15.999 -19.197 -23.510 1.00 20.47 C ATOM 717 H VAL A 73 -14.679 -18.519 -20.599 1.00 0.00 H ATOM 718 N THR A 74 -13.532 -15.129 -22.524 1.00 13.98 N ATOM 719 CA THR A 74 -13.291 -13.796 -22.000 1.00 14.76 C ATOM 720 C THR A 74 -14.415 -12.775 -22.353 1.00 14.52 C ATOM 721 O THR A 74 -15.324 -13.152 -23.160 1.00 17.39 O ATOM 722 CB THR A 74 -11.937 -13.300 -22.578 1.00 12.88 C ATOM 723 OG1 THR A 74 -12.128 -13.165 -24.007 1.00 14.60 O ATOM 724 CG2 THR A 74 -10.860 -14.383 -22.368 1.00 14.30 C ATOM 725 HG1 THR A 74 -12.850 -12.511 -24.182 1.00 0.00 H ATOM 726 H THR A 74 -13.039 -15.425 -23.390 1.00 0.00 H ATOM 727 N ALA A 75 -14.328 -11.555 -21.838 1.00 16.04 N ATOM 728 CA ALA A 75 -15.421 -10.511 -21.963 1.00 17.72 C ATOM 729 C ALA A 75 -15.538 -10.108 -23.462 1.00 18.51 C ATOM 730 O ALA A 75 -16.637 -9.732 -23.985 1.00 19.75 O ATOM 731 CB ALA A 75 -15.077 -9.279 -21.147 1.00 17.06 C ATOM 732 H ALA A 75 -13.463 -11.301 -21.320 1.00 0.00 H ATOM 733 N ASP A 76 -14.417 -10.211 -24.168 1.00 15.52 N ATOM 734 CA ASP A 76 -14.397 -9.933 -25.647 1.00 15.95 C ATOM 735 C ASP A 76 -14.639 -11.215 -26.501 1.00 19.09 C ATOM 736 O ASP A 76 -14.386 -11.246 -27.719 1.00 20.34 O ATOM 737 CB ASP A 76 -13.077 -9.214 -26.025 1.00 17.36 C ATOM 738 CG ASP A 76 -11.847 -10.059 -25.707 1.00 15.64 C ATOM 739 OD1 ASP A 76 -11.748 -10.500 -24.532 1.00 15.77 O ATOM 740 OD2 ASP A 76 -11.033 -10.324 -26.611 1.00 16.83 O ATOM 741 H ASP A 76 -13.537 -10.489 -23.689 1.00 0.00 H ATOM 742 N ASP A 77 -15.116 -12.284 -25.843 1.00 20.26 N ATOM 743 CA ASP A 77 -15.439 -13.582 -26.515 1.00 22.81 C ATOM 744 C ASP A 77 -14.314 -14.406 -27.136 1.00 22.31 C ATOM 745 O ASP A 77 -14.539 -15.157 -28.084 1.00 23.73 O ATOM 746 CB ASP A 77 -16.598 -13.427 -27.525 1.00 26.84 C ATOM 747 CG ASP A 77 -17.844 -12.931 -26.884 1.00 29.60 C ATOM 748 OD1 ASP A 77 -18.396 -13.624 -26.000 1.00 35.31 O ATOM 749 OD2 ASP A 77 -18.283 -11.839 -27.271 1.00 35.60 O ATOM 750 H ASP A 77 -15.268 -12.206 -24.817 1.00 0.00 H ATOM 751 N ARG A 78 -13.089 -14.271 -26.614 1.00 18.26 N ATOM 752 CA ARG A 78 -12.067 -15.248 -26.921 1.00 17.97 C ATOM 753 C ARG A 78 -12.277 -16.536 -26.086 1.00 17.85 C ATOM 754 O ARG A 78 -12.656 -16.454 -24.911 1.00 17.01 O ATOM 755 CB ARG A 78 -10.676 -14.681 -26.582 1.00 17.79 C ATOM 756 CG ARG A 78 -10.080 -13.670 -27.574 1.00 17.66 C ATOM 757 CD ARG A 78 -8.772 -13.073 -26.997 1.00 15.57 C ATOM 758 NE ARG A 78 -9.084 -12.179 -25.874 1.00 13.35 N ATOM 759 CZ ARG A 78 -8.512 -12.176 -24.676 1.00 13.22 C ATOM 760 NH1 ARG A 78 -7.480 -12.990 -24.401 1.00 11.42 N ATOM 761 NH2 ARG A 78 -8.994 -11.345 -23.748 1.00 13.14 N ATOM 762 HE ARG A 78 -9.832 -11.474 -26.034 1.00 0.00 H ATOM 763 HH12 ARG A 78 -7.043 -12.975 -23.457 1.00 0.00 H ATOM 764 HH11 ARG A 78 -7.118 -13.635 -25.132 1.00 0.00 H ATOM 765 HH22 ARG A 78 -8.567 -11.320 -22.800 1.00 0.00 H ATOM 766 HH21 ARG A 78 -9.797 -10.723 -23.973 1.00 0.00 H ATOM 767 H ARG A 78 -12.873 -13.467 -25.990 1.00 0.00 H ATOM 768 N LYS A 79 -12.013 -17.685 -26.705 1.00 17.68 N ATOM 769 CA LYS A 79 -12.015 -18.987 -26.031 1.00 17.25 C ATOM 770 C LYS A 79 -10.571 -19.295 -25.747 1.00 16.73 C ATOM 771 O LYS A 79 -9.758 -19.520 -26.667 1.00 18.63 O ATOM 772 CB LYS A 79 -12.735 -20.082 -26.887 1.00 20.61 C ATOM 773 CG LYS A 79 -14.270 -20.018 -26.780 1.00 21.33 C ATOM 774 CD LYS A 79 -14.850 -18.750 -27.392 1.00 24.24 C ATOM 775 CE LYS A 79 -16.327 -18.583 -27.066 1.00 24.13 C ATOM 776 NZ LYS A 79 -16.950 -17.503 -27.878 1.00 25.59 N ATOM 777 HZ1 LYS A 79 -16.467 -16.603 -27.684 1.00 0.00 H ATOM 778 HZ2 LYS A 79 -16.861 -17.735 -28.888 1.00 0.00 H ATOM 779 HZ3 LYS A 79 -17.956 -17.419 -27.628 1.00 0.00 H ATOM 780 H LYS A 79 -11.794 -17.657 -27.721 1.00 0.00 H ATOM 781 N VAL A 80 -10.193 -19.212 -24.451 1.00 15.11 N ATOM 782 CA VAL A 80 -8.769 -19.411 -24.101 1.00 13.43 C ATOM 783 C VAL A 80 -8.497 -20.588 -23.163 1.00 13.36 C ATOM 784 O VAL A 80 -9.450 -21.090 -22.531 1.00 16.48 O ATOM 785 CB VAL A 80 -8.195 -18.099 -23.503 1.00 12.48 C ATOM 786 CG1 VAL A 80 -8.486 -16.914 -24.450 1.00 14.15 C ATOM 787 CG2 VAL A 80 -8.815 -17.882 -22.111 1.00 12.79 C ATOM 788 H VAL A 80 -10.894 -19.011 -23.710 1.00 0.00 H ATOM 789 N LYS A 81 -7.226 -21.030 -23.101 1.00 13.53 N ATOM 790 CA LYS A 81 -6.810 -21.972 -22.087 1.00 15.23 C ATOM 791 C LYS A 81 -6.115 -21.142 -21.019 1.00 13.91 C ATOM 792 O LYS A 81 -5.150 -20.462 -21.315 1.00 13.19 O ATOM 793 CB LYS A 81 -5.828 -22.990 -22.663 1.00 19.25 C ATOM 794 CG LYS A 81 -6.468 -23.913 -23.671 1.00 23.95 C ATOM 795 CD LYS A 81 -7.440 -24.860 -23.012 1.00 25.47 C ATOM 796 CE LYS A 81 -7.488 -26.149 -23.834 1.00 31.14 C ATOM 797 NZ LYS A 81 -8.936 -26.452 -24.013 1.00 31.58 N ATOM 798 HZ1 LYS A 81 -9.380 -26.578 -23.081 1.00 0.00 H ATOM 799 HZ2 LYS A 81 -9.395 -25.664 -24.513 1.00 0.00 H ATOM 800 HZ3 LYS A 81 -9.040 -27.325 -24.569 1.00 0.00 H ATOM 801 H LYS A 81 -6.532 -20.687 -23.795 1.00 0.00 H ATOM 802 N SER A 82 -6.628 -21.199 -19.799 1.00 14.09 N ATOM 803 CA SER A 82 -6.068 -20.358 -18.711 1.00 12.25 C ATOM 804 C SER A 82 -5.471 -21.172 -17.603 1.00 11.29 C ATOM 805 O SER A 82 -5.965 -22.234 -17.251 1.00 10.38 O ATOM 806 CB SER A 82 -7.189 -19.537 -18.084 1.00 11.90 C ATOM 807 OG SER A 82 -7.629 -18.521 -19.004 1.00 11.78 O ATOM 808 HG SER A 82 -8.356 -17.994 -18.588 1.00 0.00 H ATOM 809 H SER A 82 -7.427 -21.836 -19.602 1.00 0.00 H ATOM 810 N THR A 83 -4.417 -20.656 -17.002 1.00 9.49 N ATOM 811 CA THR A 83 -3.890 -21.259 -15.807 1.00 10.89 C ATOM 812 C THR A 83 -3.546 -20.092 -14.881 1.00 10.23 C ATOM 813 O THR A 83 -2.859 -19.107 -15.272 1.00 10.88 O ATOM 814 CB THR A 83 -2.576 -22.057 -16.025 1.00 12.90 C ATOM 815 OG1 THR A 83 -2.752 -22.987 -17.106 1.00 15.65 O ATOM 816 CG2 THR A 83 -2.129 -22.879 -14.778 1.00 15.29 C ATOM 817 HG1 THR A 83 -1.913 -23.494 -17.243 1.00 0.00 H ATOM 818 H THR A 83 -3.963 -19.807 -17.395 1.00 0.00 H ATOM 819 N ILE A 84 -3.964 -20.232 -13.639 1.00 9.23 N ATOM 820 CA ILE A 84 -3.672 -19.232 -12.619 1.00 9.97 C ATOM 821 C ILE A 84 -2.882 -19.821 -11.488 1.00 10.75 C ATOM 822 O ILE A 84 -3.166 -20.936 -11.028 1.00 12.13 O ATOM 823 CB ILE A 84 -4.983 -18.615 -12.054 1.00 8.88 C ATOM 824 CG1 ILE A 84 -5.649 -17.919 -13.279 1.00 9.27 C ATOM 825 CG2 ILE A 84 -4.678 -17.581 -10.990 1.00 11.03 C ATOM 826 CD1 ILE A 84 -7.100 -17.390 -13.089 1.00 10.42 C ATOM 827 H ILE A 84 -4.515 -21.075 -13.380 1.00 0.00 H ATOM 828 N THR A 85 -1.808 -19.101 -11.140 1.00 11.20 N ATOM 829 CA THR A 85 -0.922 -19.507 -10.053 1.00 13.10 C ATOM 830 C THR A 85 -0.647 -18.340 -9.161 1.00 13.62 C ATOM 831 O THR A 85 -0.948 -17.165 -9.462 1.00 13.76 O ATOM 832 CB THR A 85 0.447 -20.046 -10.603 1.00 13.46 C ATOM 833 OG1 THR A 85 1.017 -19.049 -11.442 1.00 15.99 O ATOM 834 CG2 THR A 85 0.249 -21.403 -11.415 1.00 16.38 C ATOM 835 HG1 THR A 85 1.882 -19.374 -11.798 1.00 0.00 H ATOM 836 H THR A 85 -1.598 -18.225 -11.660 1.00 0.00 H ATOM 837 N LEU A 86 0.000 -18.653 -8.039 1.00 15.93 N ATOM 838 CA LEU A 86 0.430 -17.630 -7.114 1.00 17.66 C ATOM 839 C LEU A 86 1.946 -17.611 -7.162 1.00 19.78 C ATOM 840 O LEU A 86 2.596 -18.684 -7.024 1.00 23.77 O ATOM 841 CB LEU A 86 -0.072 -17.997 -5.726 1.00 22.32 C ATOM 842 CG LEU A 86 -1.229 -17.245 -5.095 1.00 23.98 C ATOM 843 CD1 LEU A 86 -1.348 -17.815 -3.683 1.00 26.69 C ATOM 844 CD2 LEU A 86 -1.082 -15.689 -5.073 1.00 21.90 C ATOM 845 H LEU A 86 0.199 -19.651 -7.825 1.00 0.00 H ATOM 846 N ASP A 87 2.513 -16.462 -7.415 1.00 18.40 N ATOM 847 CA ASP A 87 3.955 -16.283 -7.442 1.00 20.08 C ATOM 848 C ASP A 87 4.245 -15.233 -6.373 1.00 19.44 C ATOM 849 O ASP A 87 4.059 -14.005 -6.545 1.00 16.40 O ATOM 850 CB ASP A 87 4.414 -15.821 -8.808 1.00 23.81 C ATOM 851 CG ASP A 87 5.949 -15.797 -8.959 1.00 33.42 C ATOM 852 OD1 ASP A 87 6.678 -16.311 -8.067 1.00 34.82 O ATOM 853 OD2 ASP A 87 6.421 -15.257 -9.993 1.00 39.16 O ATOM 854 H ASP A 87 1.906 -15.639 -7.605 1.00 0.00 H ATOM 855 N GLY A 88 4.635 -15.698 -5.200 1.00 21.39 N ATOM 856 CA GLY A 88 4.957 -14.706 -4.176 1.00 20.60 C ATOM 857 C GLY A 88 3.889 -13.704 -3.835 1.00 24.66 C ATOM 858 O GLY A 88 4.122 -12.492 -3.788 1.00 32.42 O ATOM 859 H GLY A 88 4.709 -16.719 -5.014 1.00 0.00 H ATOM 860 N GLY A 89 2.703 -14.114 -3.570 1.00 21.43 N ATOM 861 CA GLY A 89 1.764 -12.939 -3.317 1.00 18.44 C ATOM 862 C GLY A 89 1.051 -12.312 -4.507 1.00 19.08 C ATOM 863 O GLY A 89 0.043 -11.614 -4.331 1.00 17.92 O ATOM 864 H GLY A 89 2.419 -15.114 -3.533 1.00 0.00 H ATOM 865 N VAL A 90 1.534 -12.604 -5.709 1.00 16.34 N ATOM 866 CA VAL A 90 0.893 -12.113 -6.950 1.00 14.13 C ATOM 867 C VAL A 90 0.103 -13.231 -7.638 1.00 12.78 C ATOM 868 O VAL A 90 0.610 -14.317 -7.878 1.00 12.25 O ATOM 869 CB VAL A 90 1.937 -11.606 -7.924 1.00 13.89 C ATOM 870 CG1 VAL A 90 1.302 -10.957 -9.162 1.00 14.11 C ATOM 871 CG2 VAL A 90 2.916 -10.620 -7.249 1.00 15.37 C ATOM 872 H VAL A 90 2.387 -13.195 -5.781 1.00 0.00 H ATOM 873 N LEU A 91 -1.184 -12.982 -7.900 1.00 11.52 N ATOM 874 CA LEU A 91 -1.987 -13.950 -8.706 1.00 13.08 C ATOM 875 C LEU A 91 -1.621 -13.727 -10.157 1.00 11.89 C ATOM 876 O LEU A 91 -1.762 -12.588 -10.676 1.00 11.60 O ATOM 877 CB LEU A 91 -3.496 -13.751 -8.552 1.00 14.86 C ATOM 878 CG LEU A 91 -4.285 -14.466 -7.482 1.00 18.08 C ATOM 879 CD1 LEU A 91 -5.756 -14.005 -7.555 1.00 18.67 C ATOM 880 CD2 LEU A 91 -4.204 -15.962 -7.686 1.00 14.97 C ATOM 881 H LEU A 91 -1.627 -12.112 -7.542 1.00 0.00 H ATOM 882 N VAL A 92 -1.105 -14.770 -10.806 1.00 12.57 N ATOM 883 CA VAL A 92 -0.612 -14.641 -12.214 1.00 11.79 C ATOM 884 C VAL A 92 -1.554 -15.487 -13.079 1.00 11.22 C ATOM 885 O VAL A 92 -1.604 -16.731 -12.901 1.00 10.93 O ATOM 886 CB VAL A 92 0.826 -15.214 -12.319 1.00 12.64 C ATOM 887 CG1 VAL A 92 1.368 -15.133 -13.728 1.00 12.93 C ATOM 888 CG2 VAL A 92 1.781 -14.336 -11.448 1.00 12.83 C ATOM 889 H VAL A 92 -1.044 -15.690 -10.326 1.00 0.00 H ATOM 890 N HIS A 93 -2.218 -14.870 -14.058 1.00 11.12 N ATOM 891 CA HIS A 93 -3.249 -15.528 -14.883 1.00 10.41 C ATOM 892 C HIS A 93 -2.733 -15.479 -16.287 1.00 10.35 C ATOM 893 O HIS A 93 -2.541 -14.383 -16.838 1.00 10.27 O ATOM 894 CB HIS A 93 -4.495 -14.724 -14.701 1.00 9.51 C ATOM 895 CG HIS A 93 -5.726 -15.152 -15.510 1.00 10.59 C ATOM 896 ND1 HIS A 93 -6.937 -14.512 -15.338 1.00 11.95 N ATOM 897 CD2 HIS A 93 -5.945 -16.176 -16.400 1.00 10.83 C ATOM 898 CE1 HIS A 93 -7.827 -15.089 -16.161 1.00 10.38 C ATOM 899 NE2 HIS A 93 -7.252 -16.115 -16.760 1.00 10.72 N ATOM 900 H HIS A 93 -1.997 -13.872 -14.250 1.00 0.00 H ATOM 901 N VAL A 94 -2.355 -16.650 -16.831 1.00 9.30 N ATOM 902 CA VAL A 94 -1.914 -16.726 -18.196 1.00 10.99 C ATOM 903 C VAL A 94 -3.055 -17.284 -19.095 1.00 11.44 C ATOM 904 O VAL A 94 -3.639 -18.327 -18.750 1.00 11.58 O ATOM 905 CB VAL A 94 -0.691 -17.616 -18.328 1.00 11.10 C ATOM 906 CG1 VAL A 94 -0.280 -17.642 -19.792 1.00 12.37 C ATOM 907 CG2 VAL A 94 0.457 -17.081 -17.458 1.00 13.26 C ATOM 908 H VAL A 94 -2.383 -17.515 -16.254 1.00 0.00 H ATOM 909 N GLN A 95 -3.375 -16.567 -20.192 1.00 12.29 N ATOM 910 CA GLN A 95 -4.399 -16.968 -21.159 1.00 12.08 C ATOM 911 C GLN A 95 -3.683 -17.236 -22.470 1.00 12.69 C ATOM 912 O GLN A 95 -2.834 -16.402 -22.898 1.00 13.58 O ATOM 913 CB GLN A 95 -5.430 -15.880 -21.403 1.00 12.01 C ATOM 914 CG GLN A 95 -6.224 -15.504 -20.165 1.00 12.16 C ATOM 915 CD GLN A 95 -7.128 -14.305 -20.448 1.00 12.44 C ATOM 916 OE1 GLN A 95 -6.846 -13.491 -21.338 1.00 14.70 O ATOM 917 NE2 GLN A 95 -8.212 -14.205 -19.725 1.00 12.97 N ATOM 918 HE22 GLN A 95 -8.412 -14.910 -18.987 1.00 0.00 H ATOM 919 HE21 GLN A 95 -8.875 -13.420 -19.887 1.00 0.00 H ATOM 920 H GLN A 95 -2.864 -15.677 -20.361 1.00 0.00 H ATOM 921 N LYS A 96 -3.957 -18.406 -23.075 1.00 14.54 N ATOM 922 CA LYS A 96 -3.359 -18.831 -24.343 1.00 15.32 C ATOM 923 C LYS A 96 -4.455 -19.109 -25.351 1.00 15.39 C ATOM 924 O LYS A 96 -5.461 -19.718 -25.031 1.00 15.62 O ATOM 925 CB LYS A 96 -2.594 -20.194 -24.160 1.00 16.72 C ATOM 926 CG LYS A 96 -1.515 -20.226 -23.114 1.00 24.30 C ATOM 927 CD LYS A 96 -0.291 -19.365 -23.432 1.00 28.84 C ATOM 928 CE LYS A 96 0.905 -19.661 -22.504 1.00 31.27 C ATOM 929 NZ LYS A 96 2.012 -18.659 -22.637 1.00 33.37 N ATOM 930 HZ1 LYS A 96 2.363 -18.660 -23.616 1.00 0.00 H ATOM 931 HZ2 LYS A 96 1.652 -17.713 -22.398 1.00 0.00 H ATOM 932 HZ3 LYS A 96 2.786 -18.911 -21.989 1.00 0.00 H ATOM 933 H LYS A 96 -4.634 -19.047 -22.615 1.00 0.00 H ATOM 934 N TRP A 97 -4.235 -18.696 -26.596 1.00 16.32 N ATOM 935 CA TRP A 97 -5.256 -18.931 -27.658 1.00 17.23 C ATOM 936 C TRP A 97 -4.528 -18.665 -28.969 1.00 21.36 C ATOM 937 O TRP A 97 -3.684 -17.754 -29.063 1.00 20.66 O ATOM 938 CB TRP A 97 -6.521 -18.069 -27.475 1.00 17.52 C ATOM 939 CG TRP A 97 -6.378 -16.614 -27.874 1.00 15.76 C ATOM 940 CD1 TRP A 97 -6.868 -16.003 -29.023 1.00 17.18 C ATOM 941 CD2 TRP A 97 -5.619 -15.560 -27.172 1.00 15.81 C ATOM 942 NE1 TRP A 97 -6.480 -14.668 -29.080 1.00 17.13 N ATOM 943 CE2 TRP A 97 -5.719 -14.355 -27.990 1.00 14.79 C ATOM 944 CE3 TRP A 97 -4.866 -15.515 -25.988 1.00 14.31 C ATOM 945 CZ2 TRP A 97 -5.108 -13.151 -27.607 1.00 14.73 C ATOM 946 CZ3 TRP A 97 -4.317 -14.294 -25.592 1.00 13.70 C ATOM 947 CH2 TRP A 97 -4.388 -13.167 -26.402 1.00 13.45 C ATOM 948 HE1 TRP A 97 -6.732 -14.006 -29.841 1.00 0.00 H ATOM 949 H TRP A 97 -3.347 -18.207 -26.830 1.00 0.00 H ATOM 950 N ASP A 98 -4.771 -19.516 -29.964 1.00 24.55 N ATOM 951 CA ASP A 98 -4.337 -19.200 -31.366 1.00 26.17 C ATOM 952 C ASP A 98 -2.878 -18.818 -31.403 1.00 26.28 C ATOM 953 O ASP A 98 -2.484 -17.873 -32.085 1.00 29.16 O ATOM 954 CB ASP A 98 -5.148 -18.050 -31.960 1.00 26.26 C ATOM 955 CG ASP A 98 -6.639 -18.370 -32.119 1.00 27.45 C ATOM 956 OD1 ASP A 98 -7.032 -19.551 -32.075 1.00 28.26 O ATOM 957 OD2 ASP A 98 -7.419 -17.421 -32.299 1.00 28.04 O ATOM 958 H ASP A 98 -5.267 -20.409 -29.768 1.00 0.00 H ATOM 959 N GLY A 99 -2.069 -19.529 -30.642 1.00 24.51 N ATOM 960 CA GLY A 99 -0.641 -19.254 -30.612 1.00 27.53 C ATOM 961 C GLY A 99 -0.153 -18.033 -29.849 1.00 27.90 C ATOM 962 O GLY A 99 1.062 -17.828 -29.783 1.00 31.19 O ATOM 963 H GLY A 99 -2.457 -20.296 -30.056 1.00 0.00 H ATOM 964 N LYS A 100 -1.072 -17.284 -29.224 1.00 22.87 N ATOM 965 CA LYS A 100 -0.787 -16.003 -28.510 1.00 19.90 C ATOM 966 C LYS A 100 -0.948 -16.238 -27.018 1.00 17.44 C ATOM 967 O LYS A 100 -1.582 -17.209 -26.596 1.00 18.01 O ATOM 968 CB LYS A 100 -1.783 -14.963 -28.961 1.00 21.07 C ATOM 969 CG LYS A 100 -1.486 -14.517 -30.383 1.00 28.17 C ATOM 970 CD LYS A 100 -2.397 -13.436 -30.876 1.00 38.22 C ATOM 971 CE LYS A 100 -3.798 -13.948 -31.136 1.00 42.11 C ATOM 972 NZ LYS A 100 -4.550 -12.910 -31.910 1.00 51.70 N ATOM 973 HZ1 LYS A 100 -4.591 -12.030 -31.358 1.00 0.00 H ATOM 974 HZ2 LYS A 100 -4.064 -12.732 -32.812 1.00 0.00 H ATOM 975 HZ3 LYS A 100 -5.515 -13.249 -32.096 1.00 0.00 H ATOM 976 H LYS A 100 -2.056 -17.619 -29.237 1.00 0.00 H ATOM 977 N SER A 101 -0.345 -15.374 -26.226 1.00 16.03 N ATOM 978 CA SER A 101 -0.660 -15.469 -24.795 1.00 13.94 C ATOM 979 C SER A 101 -0.624 -14.082 -24.217 1.00 14.39 C ATOM 980 O SER A 101 0.070 -13.141 -24.765 1.00 14.12 O ATOM 981 CB SER A 101 0.288 -16.478 -24.126 1.00 18.60 C ATOM 982 OG SER A 101 1.310 -15.911 -23.400 1.00 22.40 O ATOM 983 HG SER A 101 0.929 -15.352 -22.677 1.00 0.00 H ATOM 984 H SER A 101 0.318 -14.663 -26.595 1.00 0.00 H ATOM 985 N THR A 102 -1.404 -13.906 -23.146 1.00 11.53 N ATOM 986 CA THR A 102 -1.413 -12.608 -22.430 1.00 11.78 C ATOM 987 C THR A 102 -1.340 -12.987 -20.955 1.00 11.98 C ATOM 988 O THR A 102 -1.818 -14.073 -20.594 1.00 11.70 O ATOM 989 CB THR A 102 -2.649 -11.742 -22.762 1.00 12.51 C ATOM 990 OG1 THR A 102 -2.551 -10.430 -22.144 1.00 12.25 O ATOM 991 CG2 THR A 102 -3.967 -12.397 -22.359 1.00 11.26 C ATOM 992 HG1 THR A 102 -3.354 -9.898 -22.373 1.00 0.00 H ATOM 993 H THR A 102 -2.008 -14.684 -22.813 1.00 0.00 H ATOM 994 N THR A 103 -0.786 -12.096 -20.134 1.00 11.58 N ATOM 995 CA THR A 103 -0.674 -12.382 -18.685 1.00 12.40 C ATOM 996 C THR A 103 -1.336 -11.209 -17.928 1.00 12.91 C ATOM 997 O THR A 103 -1.052 -10.002 -18.204 1.00 14.28 O ATOM 998 CB THR A 103 0.815 -12.570 -18.267 1.00 13.76 C ATOM 999 OG1 THR A 103 1.343 -13.690 -18.987 1.00 16.90 O ATOM 1000 CG2 THR A 103 0.985 -12.806 -16.795 1.00 13.98 C ATOM 1001 HG1 THR A 103 1.281 -13.515 -19.959 1.00 0.00 H ATOM 1002 H THR A 103 -0.430 -11.195 -20.512 1.00 0.00 H ATOM 1003 N ILE A 104 -2.145 -11.576 -16.914 1.00 11.21 N ATOM 1004 CA ILE A 104 -2.851 -10.575 -16.114 1.00 10.61 C ATOM 1005 C ILE A 104 -2.378 -10.877 -14.706 1.00 10.40 C ATOM 1006 O ILE A 104 -2.447 -12.038 -14.221 1.00 11.11 O ATOM 1007 CB ILE A 104 -4.369 -10.783 -16.182 1.00 11.46 C ATOM 1008 CG1 ILE A 104 -4.835 -10.632 -17.654 1.00 13.03 C ATOM 1009 CG2 ILE A 104 -5.025 -9.805 -15.228 1.00 13.03 C ATOM 1010 CD1 ILE A 104 -6.248 -11.112 -17.888 1.00 16.74 C ATOM 1011 H ILE A 104 -2.269 -12.586 -16.697 1.00 0.00 H ATOM 1012 N LYS A 105 -1.780 -9.875 -14.069 1.00 10.43 N ATOM 1013 CA LYS A 105 -1.233 -10.083 -12.712 1.00 10.73 C ATOM 1014 C LYS A 105 -2.033 -9.201 -11.789 1.00 10.51 C ATOM 1015 O LYS A 105 -2.371 -8.084 -12.143 1.00 11.69 O ATOM 1016 CB LYS A 105 0.245 -9.671 -12.640 1.00 11.76 C ATOM 1017 CG LYS A 105 1.091 -10.581 -13.529 1.00 16.20 C ATOM 1018 CD LYS A 105 2.570 -10.249 -13.369 1.00 18.51 C ATOM 1019 CE LYS A 105 3.375 -10.879 -14.488 1.00 24.61 C ATOM 1020 NZ LYS A 105 4.813 -11.013 -14.047 1.00 25.24 N ATOM 1021 HZ1 LYS A 105 5.196 -10.071 -13.827 1.00 0.00 H ATOM 1022 HZ2 LYS A 105 4.860 -11.614 -13.200 1.00 0.00 H ATOM 1023 HZ3 LYS A 105 5.370 -11.445 -14.812 1.00 0.00 H ATOM 1024 H LYS A 105 -1.697 -8.944 -14.526 1.00 0.00 H ATOM 1025 N ARG A 106 -2.414 -9.744 -10.639 1.00 11.13 N ATOM 1026 CA ARG A 106 -3.224 -9.005 -9.664 1.00 10.89 C ATOM 1027 C ARG A 106 -2.438 -8.997 -8.336 1.00 11.80 C ATOM 1028 O ARG A 106 -2.001 -10.053 -7.884 1.00 10.86 O ATOM 1029 CB ARG A 106 -4.603 -9.683 -9.477 1.00 11.86 C ATOM 1030 CG ARG A 106 -5.429 -9.708 -10.750 1.00 11.27 C ATOM 1031 CD ARG A 106 -6.704 -10.506 -10.576 1.00 12.77 C ATOM 1032 NE ARG A 106 -7.646 -10.356 -11.766 1.00 13.14 N ATOM 1033 CZ ARG A 106 -7.748 -11.221 -12.770 1.00 14.79 C ATOM 1034 NH1 ARG A 106 -6.915 -12.278 -12.924 1.00 14.98 N ATOM 1035 NH2 ARG A 106 -8.694 -11.015 -13.722 1.00 14.09 N ATOM 1036 HE ARG A 106 -8.255 -9.513 -11.794 1.00 0.00 H ATOM 1037 HH12 ARG A 106 -7.039 -12.925 -13.729 1.00 0.00 H ATOM 1038 HH11 ARG A 106 -6.151 -12.443 -12.238 1.00 0.00 H ATOM 1039 HH22 ARG A 106 -8.788 -11.682 -14.515 1.00 0.00 H ATOM 1040 HH21 ARG A 106 -9.325 -10.190 -13.659 1.00 0.00 H ATOM 1041 H ARG A 106 -2.130 -10.721 -10.423 1.00 0.00 H ATOM 1042 N LYS A 107 -2.277 -7.809 -7.733 1.00 12.03 N ATOM 1043 CA LYS A 107 -1.466 -7.762 -6.508 1.00 13.81 C ATOM 1044 C LYS A 107 -2.127 -6.702 -5.644 1.00 15.39 C ATOM 1045 O LYS A 107 -2.713 -5.718 -6.147 1.00 17.52 O ATOM 1046 CB LYS A 107 -0.063 -7.311 -6.862 1.00 15.75 C ATOM 1047 CG LYS A 107 0.138 -5.925 -7.415 1.00 15.97 C ATOM 1048 CD LYS A 107 1.578 -5.785 -7.914 1.00 19.61 C ATOM 1049 CE LYS A 107 1.762 -6.268 -9.349 1.00 20.63 C ATOM 1050 NZ LYS A 107 0.699 -5.785 -10.308 1.00 23.78 N ATOM 1051 HZ1 LYS A 107 -0.232 -6.122 -9.990 1.00 0.00 H ATOM 1052 HZ2 LYS A 107 0.703 -4.745 -10.333 1.00 0.00 H ATOM 1053 HZ3 LYS A 107 0.897 -6.157 -11.259 1.00 0.00 H ATOM 1054 H LYS A 107 -2.713 -6.948 -8.121 1.00 0.00 H ATOM 1055 N ARG A 108 -2.058 -6.879 -4.337 1.00 14.73 N ATOM 1056 CA ARG A 108 -2.467 -5.770 -3.455 1.00 13.76 C ATOM 1057 C ARG A 108 -1.387 -4.747 -3.242 1.00 15.90 C ATOM 1058 O ARG A 108 -0.228 -5.124 -3.035 1.00 16.27 O ATOM 1059 CB ARG A 108 -2.816 -6.355 -2.086 1.00 16.78 C ATOM 1060 CG ARG A 108 -4.081 -7.180 -2.113 1.00 16.17 C ATOM 1061 CD ARG A 108 -5.285 -6.233 -2.240 1.00 17.64 C ATOM 1062 NE ARG A 108 -5.197 -5.123 -1.314 1.00 20.86 N ATOM 1063 CZ ARG A 108 -5.663 -5.130 -0.072 1.00 21.70 C ATOM 1064 NH1 ARG A 108 -6.319 -6.182 0.408 1.00 18.86 N ATOM 1065 NH2 ARG A 108 -5.520 -4.048 0.668 1.00 25.49 N ATOM 1066 HE ARG A 108 -4.733 -4.254 -1.648 1.00 0.00 H ATOM 1067 HH12 ARG A 108 -6.677 -6.170 1.384 1.00 0.00 H ATOM 1068 HH11 ARG A 108 -6.474 -7.017 -0.193 1.00 0.00 H ATOM 1069 HH22 ARG A 108 -5.879 -4.034 1.644 1.00 0.00 H ATOM 1070 HH21 ARG A 108 -5.048 -3.208 0.276 1.00 0.00 H ATOM 1071 H ARG A 108 -1.723 -7.780 -3.939 1.00 0.00 H ATOM 1072 N GLU A 109 -1.771 -3.458 -3.246 1.00 15.57 N ATOM 1073 CA GLU A 109 -0.829 -2.339 -2.956 1.00 17.90 C ATOM 1074 C GLU A 109 -1.583 -1.271 -2.156 1.00 15.91 C ATOM 1075 O GLU A 109 -2.556 -0.656 -2.659 1.00 15.77 O ATOM 1076 CB GLU A 109 -0.228 -1.730 -4.241 1.00 23.45 C ATOM 1077 CG GLU A 109 0.746 -0.581 -3.958 1.00 29.19 C ATOM 1078 CD GLU A 109 2.015 -1.030 -3.227 1.00 36.02 C ATOM 1079 OE1 GLU A 109 2.681 -1.982 -3.713 1.00 39.69 O ATOM 1080 OE2 GLU A 109 2.359 -0.432 -2.170 1.00 39.03 O ATOM 1081 H GLU A 109 -2.764 -3.233 -3.460 1.00 0.00 H ATOM 1082 N ASP A 110 -1.186 -1.068 -0.893 1.00 15.18 N ATOM 1083 CA ASP A 110 -1.984 -0.244 0.001 1.00 15.13 C ATOM 1084 C ASP A 110 -3.393 -0.749 0.014 1.00 13.88 C ATOM 1085 O ASP A 110 -3.594 -1.958 0.144 1.00 12.74 O ATOM 1086 CB ASP A 110 -1.851 1.295 -0.350 1.00 17.34 C ATOM 1087 CG ASP A 110 -0.403 1.765 -0.321 1.00 21.38 C ATOM 1088 OD1 ASP A 110 0.390 1.348 0.545 1.00 23.00 O ATOM 1089 OD2 ASP A 110 -0.006 2.584 -1.159 1.00 25.69 O ATOM 1090 H ASP A 110 -0.305 -1.501 -0.551 1.00 0.00 H ATOM 1091 N ASP A 111 -4.391 0.119 -0.102 1.00 14.38 N ATOM 1092 CA ASP A 111 -5.767 -0.401 -0.052 1.00 14.11 C ATOM 1093 C ASP A 111 -6.369 -0.680 -1.416 1.00 16.19 C ATOM 1094 O ASP A 111 -7.581 -0.853 -1.572 1.00 18.08 O ATOM 1095 CB ASP A 111 -6.684 0.551 0.698 1.00 15.03 C ATOM 1096 CG ASP A 111 -6.412 0.553 2.207 1.00 17.63 C ATOM 1097 OD1 ASP A 111 -6.377 -0.553 2.783 1.00 19.47 O ATOM 1098 OD2 ASP A 111 -6.338 1.697 2.736 1.00 19.82 O ATOM 1099 H ASP A 111 -4.206 1.135 -0.224 1.00 0.00 H ATOM 1100 N LYS A 112 -5.500 -0.792 -2.381 1.00 15.82 N ATOM 1101 CA LYS A 112 -5.903 -0.977 -3.781 1.00 14.38 C ATOM 1102 C LYS A 112 -5.601 -2.400 -4.222 1.00 14.36 C ATOM 1103 O LYS A 112 -4.710 -3.057 -3.695 1.00 14.58 O ATOM 1104 CB LYS A 112 -5.066 -0.003 -4.638 1.00 15.07 C ATOM 1105 CG LYS A 112 -5.411 1.481 -4.397 1.00 15.90 C ATOM 1106 CD LYS A 112 -4.214 2.347 -4.695 1.00 19.69 C ATOM 1107 CE LYS A 112 -4.577 3.822 -4.592 1.00 21.75 C ATOM 1108 NZ LYS A 112 -5.553 4.102 -5.677 1.00 22.23 N ATOM 1109 HZ1 LYS A 112 -5.116 3.893 -6.597 1.00 0.00 H ATOM 1110 HZ2 LYS A 112 -6.394 3.505 -5.547 1.00 0.00 H ATOM 1111 HZ3 LYS A 112 -5.829 5.104 -5.643 1.00 0.00 H ATOM 1112 H LYS A 112 -4.487 -0.749 -2.152 1.00 0.00 H ATOM 1113 N LEU A 113 -6.327 -2.888 -5.220 1.00 12.52 N ATOM 1114 CA LEU A 113 -5.912 -4.141 -5.896 1.00 13.50 C ATOM 1115 C LEU A 113 -5.484 -3.673 -7.285 1.00 13.17 C ATOM 1116 O LEU A 113 -6.261 -3.023 -7.987 1.00 13.42 O ATOM 1117 CB LEU A 113 -7.072 -5.116 -5.917 1.00 13.62 C ATOM 1118 CG LEU A 113 -6.851 -6.549 -6.376 1.00 14.01 C ATOM 1119 CD1 LEU A 113 -7.982 -7.435 -5.928 1.00 16.67 C ATOM 1120 CD2 LEU A 113 -6.708 -6.561 -7.854 1.00 16.63 C ATOM 1121 H LEU A 113 -7.187 -2.392 -5.528 1.00 0.00 H ATOM 1122 N VAL A 114 -4.214 -3.871 -7.614 1.00 11.98 N ATOM 1123 CA VAL A 114 -3.620 -3.307 -8.842 1.00 12.11 C ATOM 1124 C VAL A 114 -3.585 -4.463 -9.838 1.00 12.58 C ATOM 1125 O VAL A 114 -3.037 -5.542 -9.520 1.00 12.90 O ATOM 1126 CB VAL A 114 -2.242 -2.680 -8.560 1.00 14.68 C ATOM 1127 CG1 VAL A 114 -1.462 -2.274 -9.826 1.00 15.14 C ATOM 1128 CG2 VAL A 114 -2.474 -1.470 -7.649 1.00 14.06 C ATOM 1129 H VAL A 114 -3.616 -4.444 -6.985 1.00 0.00 H ATOM 1130 N VAL A 115 -4.173 -4.250 -11.024 1.00 11.26 N ATOM 1131 CA VAL A 115 -4.174 -5.317 -12.043 1.00 10.70 C ATOM 1132 C VAL A 115 -3.382 -4.855 -13.244 1.00 10.87 C ATOM 1133 O VAL A 115 -3.631 -3.792 -13.771 1.00 12.95 O ATOM 1134 CB VAL A 115 -5.611 -5.599 -12.482 1.00 10.36 C ATOM 1135 CG1 VAL A 115 -5.633 -6.783 -13.455 1.00 10.18 C ATOM 1136 CG2 VAL A 115 -6.426 -5.893 -11.241 1.00 11.43 C ATOM 1137 H VAL A 115 -4.627 -3.336 -11.225 1.00 0.00 H ATOM 1138 N GLU A 116 -2.350 -5.625 -13.609 1.00 10.72 N ATOM 1139 CA GLU A 116 -1.493 -5.270 -14.732 1.00 11.31 C ATOM 1140 C GLU A 116 -1.791 -6.311 -15.803 1.00 10.87 C ATOM 1141 O GLU A 116 -1.564 -7.525 -15.630 1.00 12.27 O ATOM 1142 CB GLU A 116 -0.022 -5.409 -14.350 1.00 13.87 C ATOM 1143 CG GLU A 116 0.998 -5.250 -15.475 1.00 15.41 C ATOM 1144 CD GLU A 116 2.360 -5.886 -15.139 1.00 17.49 C ATOM 1145 OE1 GLU A 116 2.491 -7.120 -15.091 1.00 17.97 O ATOM 1146 OE2 GLU A 116 3.317 -5.146 -14.899 1.00 21.37 O ATOM 1147 H GLU A 116 -2.155 -6.498 -13.078 1.00 0.00 H ATOM 1148 N CYS A 117 -2.167 -5.812 -16.955 1.00 11.85 N ATOM 1149 CA CYS A 117 -2.473 -6.671 -18.115 1.00 12.69 C ATOM 1150 C CYS A 117 -1.375 -6.483 -19.178 1.00 12.76 C ATOM 1151 O CYS A 117 -1.124 -5.351 -19.621 1.00 13.35 O ATOM 1152 CB CYS A 117 -3.787 -6.200 -18.714 1.00 12.52 C ATOM 1153 SG CYS A 117 -5.178 -6.345 -17.577 1.00 15.88 S ATOM 1154 H CYS A 117 -2.252 -4.780 -17.054 1.00 0.00 H ATOM 1155 N VAL A 118 -0.673 -7.583 -19.557 1.00 12.81 N ATOM 1156 CA VAL A 118 0.470 -7.457 -20.419 1.00 12.94 C ATOM 1157 C VAL A 118 0.231 -8.269 -21.699 1.00 13.32 C ATOM 1158 O VAL A 118 -0.062 -9.466 -21.670 1.00 12.76 O ATOM 1159 CB VAL A 118 1.767 -7.934 -19.717 1.00 14.55 C ATOM 1160 CG1 VAL A 118 2.923 -7.933 -20.712 1.00 19.18 C ATOM 1161 CG2 VAL A 118 2.088 -7.002 -18.551 1.00 17.40 C ATOM 1162 H VAL A 118 -0.965 -8.523 -19.221 1.00 0.00 H ATOM 1163 N MET A 119 0.450 -7.627 -22.846 1.00 14.06 N ATOM 1164 CA MET A 119 0.437 -8.409 -24.109 1.00 14.51 C ATOM 1165 C MET A 119 1.588 -7.903 -24.957 1.00 16.05 C ATOM 1166 O MET A 119 1.577 -6.691 -25.309 1.00 15.37 O ATOM 1167 CB MET A 119 -0.888 -8.151 -24.810 1.00 16.35 C ATOM 1168 CG MET A 119 -1.120 -8.632 -26.244 1.00 19.38 C ATOM 1169 SD MET A 119 -1.294 -10.413 -26.208 1.00 22.13 S ATOM 1170 CE MET A 119 -1.139 -10.945 -27.932 1.00 21.59 C ATOM 1171 H MET A 119 0.626 -6.602 -22.857 1.00 0.00 H ATOM 1172 N LYS A 120 2.556 -8.796 -25.183 1.00 13.53 N ATOM 1173 CA LYS A 120 3.869 -8.451 -25.702 1.00 14.37 C ATOM 1174 C LYS A 120 4.424 -7.226 -24.930 1.00 12.62 C ATOM 1175 O LYS A 120 4.589 -7.253 -23.728 1.00 15.48 O ATOM 1176 CB LYS A 120 3.722 -8.227 -27.214 1.00 14.45 C ATOM 1177 CG LYS A 120 3.221 -9.446 -27.982 1.00 16.38 C ATOM 1178 CD LYS A 120 2.492 -8.968 -29.209 1.00 18.92 C ATOM 1179 CE LYS A 120 2.619 -9.917 -30.361 1.00 20.35 C ATOM 1180 NZ LYS A 120 1.477 -10.856 -30.325 1.00 23.08 N ATOM 1181 HZ1 LYS A 120 1.491 -11.382 -29.428 1.00 0.00 H ATOM 1182 HZ2 LYS A 120 0.588 -10.322 -30.401 1.00 0.00 H ATOM 1183 HZ3 LYS A 120 1.552 -11.522 -31.120 1.00 0.00 H ATOM 1184 H LYS A 120 2.358 -9.796 -24.976 1.00 0.00 H ATOM 1185 N GLY A 121 4.656 -6.106 -25.577 1.00 12.90 N ATOM 1186 CA GLY A 121 5.219 -4.997 -24.849 1.00 11.35 C ATOM 1187 C GLY A 121 4.259 -3.955 -24.331 1.00 10.59 C ATOM 1188 O GLY A 121 4.667 -2.928 -23.844 1.00 8.53 O ATOM 1189 H GLY A 121 4.438 -6.022 -26.591 1.00 0.00 H ATOM 1190 N VAL A 122 2.954 -4.210 -24.514 1.00 12.51 N ATOM 1191 CA VAL A 122 1.975 -3.227 -24.044 1.00 14.52 C ATOM 1192 C VAL A 122 1.441 -3.617 -22.708 1.00 16.20 C ATOM 1193 O VAL A 122 1.008 -4.793 -22.524 1.00 16.96 O ATOM 1194 CB VAL A 122 0.794 -3.062 -25.032 1.00 14.88 C ATOM 1195 CG1 VAL A 122 -0.279 -2.112 -24.431 1.00 17.80 C ATOM 1196 CG2 VAL A 122 1.331 -2.571 -26.394 1.00 17.31 C ATOM 1197 H VAL A 122 2.644 -5.087 -24.980 1.00 0.00 H ATOM 1198 N THR A 123 1.398 -2.639 -21.793 1.00 15.00 N ATOM 1199 CA THR A 123 0.923 -2.920 -20.423 1.00 15.88 C ATOM 1200 C THR A 123 -0.203 -1.979 -20.131 1.00 18.15 C ATOM 1201 O THR A 123 -0.081 -0.782 -20.445 1.00 21.68 O ATOM 1202 CB THR A 123 2.040 -2.710 -19.390 1.00 17.95 C ATOM 1203 OG1 THR A 123 3.104 -3.603 -19.674 1.00 23.29 O ATOM 1204 CG2 THR A 123 1.547 -2.985 -17.952 1.00 17.53 C ATOM 1205 HG1 THR A 123 3.828 -3.473 -19.012 1.00 0.00 H ATOM 1206 H THR A 123 1.701 -1.677 -22.049 1.00 0.00 H ATOM 1207 N SER A 124 -1.289 -2.503 -19.540 1.00 15.21 N ATOM 1208 CA SER A 124 -2.378 -1.649 -19.066 1.00 12.70 C ATOM 1209 C SER A 124 -2.501 -1.818 -17.560 1.00 12.44 C ATOM 1210 O SER A 124 -2.379 -2.967 -17.064 1.00 14.20 O ATOM 1211 CB SER A 124 -3.725 -2.074 -19.705 1.00 12.76 C ATOM 1212 OG SER A 124 -4.764 -1.307 -19.103 1.00 13.12 O ATOM 1213 HG SER A 124 -4.598 -0.345 -19.265 1.00 0.00 H ATOM 1214 H SER A 124 -1.357 -3.533 -19.417 1.00 0.00 H ATOM 1215 N THR A 125 -2.717 -0.706 -16.820 1.00 11.99 N ATOM 1216 CA THR A 125 -2.894 -0.780 -15.354 1.00 11.88 C ATOM 1217 C THR A 125 -4.327 -0.400 -14.985 1.00 12.85 C ATOM 1218 O THR A 125 -4.841 0.638 -15.427 1.00 12.13 O ATOM 1219 CB THR A 125 -1.913 0.177 -14.627 1.00 14.21 C ATOM 1220 OG1 THR A 125 -0.588 -0.172 -15.046 1.00 15.51 O ATOM 1221 CG2 THR A 125 -1.951 0.000 -13.202 1.00 13.26 C ATOM 1222 HG1 THR A 125 -0.515 -0.066 -16.028 1.00 0.00 H ATOM 1223 H THR A 125 -2.759 0.220 -17.292 1.00 0.00 H ATOM 1224 N ARG A 126 -4.979 -1.298 -14.252 1.00 11.02 N ATOM 1225 CA ARG A 126 -6.389 -1.164 -13.864 1.00 11.12 C ATOM 1226 C ARG A 126 -6.380 -1.212 -12.364 1.00 11.88 C ATOM 1227 O ARG A 126 -5.883 -2.225 -11.807 1.00 13.90 O ATOM 1228 CB ARG A 126 -7.166 -2.344 -14.453 1.00 12.56 C ATOM 1229 CG ARG A 126 -7.034 -2.436 -15.965 1.00 12.93 C ATOM 1230 CD ARG A 126 -8.107 -1.596 -16.611 1.00 14.20 C ATOM 1231 NE ARG A 126 -9.311 -2.421 -16.641 1.00 13.84 N ATOM 1232 CZ ARG A 126 -10.458 -2.060 -17.223 1.00 14.24 C ATOM 1233 NH1 ARG A 126 -10.565 -0.852 -17.779 1.00 14.77 N ATOM 1234 NH2 ARG A 126 -11.475 -2.907 -17.218 1.00 12.82 N ATOM 1235 HE ARG A 126 -9.273 -3.352 -16.178 1.00 0.00 H ATOM 1236 HH12 ARG A 126 -11.456 -0.566 -18.233 1.00 0.00 H ATOM 1237 HH11 ARG A 126 -9.758 -0.197 -17.758 1.00 0.00 H ATOM 1238 HH22 ARG A 126 -12.375 -2.642 -17.667 1.00 0.00 H ATOM 1239 HH21 ARG A 126 -11.374 -3.838 -16.765 1.00 0.00 H ATOM 1240 H ARG A 126 -4.461 -2.143 -13.936 1.00 0.00 H ATOM 1241 N VAL A 127 -6.804 -0.123 -11.707 1.00 10.99 N ATOM 1242 CA VAL A 127 -6.693 -0.035 -10.208 1.00 11.47 C ATOM 1243 C VAL A 127 -8.064 -0.144 -9.634 1.00 11.31 C ATOM 1244 O VAL A 127 -9.001 0.608 -10.077 1.00 13.14 O ATOM 1245 CB VAL A 127 -6.026 1.312 -9.780 1.00 11.33 C ATOM 1246 CG1 VAL A 127 -5.920 1.412 -8.247 1.00 11.69 C ATOM 1247 CG2 VAL A 127 -4.610 1.263 -10.382 1.00 12.32 C ATOM 1248 H VAL A 127 -7.215 0.671 -12.239 1.00 0.00 H ATOM 1249 N TYR A 128 -8.243 -1.044 -8.661 1.00 10.96 N ATOM 1250 CA TYR A 128 -9.577 -1.205 -7.979 1.00 10.03 C ATOM 1251 C TYR A 128 -9.443 -0.792 -6.513 1.00 11.92 C ATOM 1252 O TYR A 128 -8.373 -0.938 -5.915 1.00 11.54 O ATOM 1253 CB TYR A 128 -10.045 -2.682 -7.995 1.00 10.53 C ATOM 1254 CG TYR A 128 -10.319 -3.175 -9.394 1.00 10.27 C ATOM 1255 CD1 TYR A 128 -9.273 -3.486 -10.305 1.00 10.53 C ATOM 1256 CD2 TYR A 128 -11.625 -3.297 -9.809 1.00 9.99 C ATOM 1257 CE1 TYR A 128 -9.581 -3.942 -11.595 1.00 10.27 C ATOM 1258 CE2 TYR A 128 -11.924 -3.744 -11.080 1.00 10.45 C ATOM 1259 CZ TYR A 128 -10.959 -4.079 -11.941 1.00 11.10 C ATOM 1260 OH TYR A 128 -11.390 -4.466 -13.192 1.00 11.77 O ATOM 1261 HH TYR A 128 -10.607 -4.693 -13.754 1.00 0.00 H ATOM 1262 H TYR A 128 -7.446 -1.645 -8.369 1.00 0.00 H ATOM 1263 N GLU A 129 -10.546 -0.295 -5.938 1.00 13.09 N ATOM 1264 CA GLU A 129 -10.562 -0.095 -4.500 1.00 14.84 C ATOM 1265 C GLU A 129 -11.739 -0.842 -3.964 1.00 13.68 C ATOM 1266 O GLU A 129 -12.604 -1.229 -4.700 1.00 15.51 O ATOM 1267 CB GLU A 129 -10.682 1.430 -4.211 1.00 18.13 C ATOM 1268 CG GLU A 129 -9.334 2.113 -4.392 1.00 17.53 C ATOM 1269 CD GLU A 129 -9.322 3.625 -4.284 1.00 19.95 C ATOM 1270 OE1 GLU A 129 -10.387 4.262 -4.097 1.00 20.93 O ATOM 1271 OE2 GLU A 129 -8.187 4.168 -4.369 1.00 22.39 O ATOM 1272 H GLU A 129 -11.379 -0.056 -6.513 1.00 0.00 H ATOM 1273 N ARG A 130 -11.789 -1.055 -2.651 1.00 15.79 N ATOM 1274 CA ARG A 130 -12.971 -1.723 -2.086 1.00 17.32 C ATOM 1275 C ARG A 130 -14.260 -1.013 -2.331 1.00 18.33 C ATOM 1276 O ARG A 130 -14.329 0.244 -2.236 1.00 19.50 O ATOM 1277 CB ARG A 130 -12.760 -1.933 -0.591 1.00 16.93 C ATOM 1278 CG ARG A 130 -11.781 -3.073 -0.339 1.00 20.46 C ATOM 1279 CD ARG A 130 -11.886 -3.765 1.000 1.00 20.92 C ATOM 1280 NE ARG A 130 -10.711 -4.636 1.211 1.00 23.03 N ATOM 1281 CZ ARG A 130 -10.694 -5.947 0.945 1.00 19.05 C ATOM 1282 NH1 ARG A 130 -11.784 -6.570 0.478 1.00 18.74 N ATOM 1283 NH2 ARG A 130 -9.594 -6.654 1.230 1.00 18.08 N ATOM 1284 HE ARG A 130 -9.844 -4.203 1.589 1.00 0.00 H ATOM 1285 HH12 ARG A 130 -11.754 -7.590 0.276 1.00 0.00 H ATOM 1286 HH11 ARG A 130 -12.661 -6.034 0.317 1.00 0.00 H ATOM 1287 HH22 ARG A 130 -9.565 -7.674 1.029 1.00 0.00 H ATOM 1288 HH21 ARG A 130 -8.768 -6.183 1.652 1.00 0.00 H ATOM 1289 H ARG A 130 -11.006 -0.754 -2.036 1.00 0.00 H ATOM 1290 N ALA A 131 -15.301 -1.790 -2.626 1.00 19.55 N ATOM 1291 CA ALA A 131 -16.565 -1.174 -3.019 1.00 24.71 C ATOM 1292 C ALA A 131 -17.309 -0.750 -1.768 1.00 32.83 C ATOM 1293 O ALA A 131 -18.175 0.130 -1.762 1.00 40.65 O ATOM 1294 CB ALA A 131 -17.418 -2.128 -3.877 1.00 24.95 C ATOM 1295 OXT ALA A 131 -17.018 -1.264 -0.704 1.00 34.19 O ATOM 1296 H ALA A 131 -15.214 -2.825 -2.577 1.00 0.00 H TER 1297 ALA A 131 HETATM 1298 O HOH 1 -12.432 -27.972 -20.435 1.00 26.20 O HETATM 1299 O HOH 2 4.611 -8.215 -15.032 1.00 35.94 O HETATM 1300 O HOH 3 -9.812 -0.059 -0.881 1.00 23.07 O HETATM 1301 O HOH 4 3.958 -20.742 -7.393 1.00 34.67 O HETATM 1302 O HOH 5 -5.856 7.083 -15.381 1.00 45.14 O HETATM 1303 O HOH 6 -12.007 -28.499 -22.674 1.00 34.04 O HETATM 1304 O HOH 7 2.611 -4.237 -2.503 1.00 27.17 O HETATM 1305 O HOH 8 -17.914 -20.623 -11.504 1.00 36.13 O HETATM 1306 O HOH 9 -14.278 -19.664 2.307 1.00 45.91 O HETATM 1307 O HOH 10 -21.040 -6.103 -8.158 1.00 32.88 O HETATM 1308 O HOH 11 -9.954 -9.648 1.787 1.00 20.54 O HETATM 1309 O HOH 12 -1.063 6.047 -22.127 1.00 35.51 O HETATM 1310 O HOH 13 -18.086 -13.187 -23.468 1.00 37.97 O HETATM 1311 O HOH 14 0.294 3.303 -29.373 1.00 43.65 O HETATM 1312 O HOH 15 -7.613 7.088 -17.333 1.00 37.42 O HETATM 1313 O HOH 16 -2.247 -27.086 -15.252 1.00 17.63 O HETATM 1314 O HOH 17 -6.448 -14.988 -32.554 1.00 46.07 O HETATM 1315 O HOH 18 -1.393 3.173 -3.322 1.00 44.50 O HETATM 1316 O HOH 19 -6.330 -23.476 -5.372 1.00 13.74 O HETATM 1317 O HOH 20 -1.261 -25.147 -17.399 1.00 29.33 O HETATM 1318 O HOH 21 -16.924 -0.317 -10.499 1.00 22.14 O HETATM 1319 O HOH 22 -11.272 1.907 -25.607 1.00 26.72 O HETATM 1320 O HOH 23 -19.934 0.467 -22.041 1.00 11.86 O HETATM 1321 O HOH 24 -11.478 -22.321 7.470 1.00 65.64 O HETATM 1322 O HOH 25 -9.415 -8.275 -12.802 1.00 14.19 O HETATM 1323 O HOH 26 -8.932 -19.482 2.252 1.00 48.62 O HETATM 1324 O HOH 27 -16.198 -3.688 0.110 1.00 40.45 O HETATM 1325 O HOH 28 -9.319 2.957 -30.297 1.00 25.09 O HETATM 1326 O HOH 29 -13.354 -1.270 -18.729 1.00 17.25 O HETATM 1327 O HOH 30 -4.737 2.974 -13.654 1.00 20.78 O HETATM 1328 O HOH 31 -14.379 -16.336 0.128 1.00 22.57 O HETATM 1329 O HOH 32 -16.192 2.437 -10.010 1.00 32.38 O HETATM 1330 O HOH 33 -23.982 -5.486 -23.105 1.00 44.46 O HETATM 1331 O HOH 34 1.050 -9.113 -16.311 1.00 28.69 O HETATM 1332 O HOH 35 -12.312 -25.901 -17.875 1.00 14.29 O HETATM 1333 O HOH 36 -2.835 -12.079 2.987 1.00 41.87 O HETATM 1334 O HOH 37 1.675 -13.738 -21.747 1.00 26.12 O HETATM 1335 O HOH 38 1.748 -0.358 2.231 1.00 25.64 O HETATM 1336 O HOH 39 -6.629 -10.004 2.976 1.00 46.19 O HETATM 1337 O HOH 40 -9.030 -28.067 -11.845 1.00 21.54 O HETATM 1338 O HOH 41 -14.276 -13.251 -14.346 1.00 15.86 O HETATM 1339 O HOH 42 -7.264 -10.748 -21.425 1.00 12.84 O HETATM 1340 O HOH 43 -4.295 -12.586 -12.046 1.00 10.49 O HETATM 1341 O HOH 44 3.805 -18.981 -11.430 1.00 35.90 O HETATM 1342 O HOH 45 -13.867 -14.593 -18.443 1.00 20.87 O HETATM 1343 O HOH 46 4.343 -5.238 -28.221 1.00 30.10 O HETATM 1344 O HOH 47 -4.767 5.797 -20.655 1.00 31.76 O HETATM 1345 O HOH 48 -15.037 -20.486 -5.023 1.00 16.37 O HETATM 1346 O HOH 49 2.554 -11.315 -23.934 1.00 32.17 O HETATM 1347 O HOH 50 -11.494 -10.229 -29.386 1.00 26.21 O HETATM 1348 O HOH 51 -16.877 5.077 -17.556 1.00 24.39 O HETATM 1349 O HOH 52 -14.433 -5.846 -0.188 1.00 18.44 O HETATM 1350 O HOH 53 -5.678 -22.399 -12.675 1.00 9.16 O HETATM 1351 O HOH 54 -4.021 3.465 -24.606 1.00 49.28 O HETATM 1352 O HOH 55 -0.535 -9.014 -3.224 1.00 22.59 O HETATM 1353 O HOH 56 -3.138 -21.907 -19.716 1.00 28.06 O HETATM 1354 O HOH 57 -15.967 -3.068 -34.544 1.00 25.27 O HETATM 1355 O HOH 58 -13.985 3.597 -24.698 1.00 26.95 O HETATM 1356 O HOH 59 -25.885 -2.264 -21.350 1.00 22.01 O HETATM 1357 O HOH 60 0.669 0.747 -17.440 1.00 30.69 O HETATM 1358 O HOH 61 -11.472 -17.518 -29.513 1.00 31.79 O HETATM 1359 O HOH 62 -8.850 -25.264 -12.435 1.00 14.68 O HETATM 1360 O HOH 63 -10.729 2.074 -20.100 1.00 35.10 O HETATM 1361 O HOH 64 -6.378 -21.660 -2.827 1.00 41.53 O HETATM 1362 O HOH 65 0.013 -19.120 -14.141 1.00 19.21 O HETATM 1363 O HOH 66 -16.655 -14.522 -6.502 1.00 20.68 O HETATM 1364 O HOH 67 -8.893 6.292 -15.305 1.00 26.67 O HETATM 1365 O HOH 68 -20.026 -0.586 -6.669 1.00 46.77 O HETATM 1366 O HOH 69 -11.110 -22.827 -24.141 1.00 33.83 O HETATM 1367 O HOH 70 -11.521 -24.801 -13.279 1.00 12.88 O HETATM 1368 O HOH 71 -11.957 -27.629 -2.535 1.00 17.87 O HETATM 1369 O HOH 72 -9.300 -22.146 1.658 1.00 40.25 O HETATM 1370 O HOH 73 -20.623 -12.401 -12.865 1.00 34.08 O HETATM 1371 O HOH 74 -10.090 -28.049 -15.551 1.00 23.15 O HETATM 1372 O HOH 75 -24.629 -6.341 -14.361 1.00 29.05 O HETATM 1373 O HOH 76 0.234 -21.485 -7.263 1.00 23.41 O HETATM 1374 O HOH 77 -7.344 -12.486 -30.868 1.00 34.24 O HETATM 1375 O HOH 78 -12.275 -10.915 -19.809 1.00 27.19 O HETATM 1376 O HOH 79 -16.800 -19.107 -3.614 1.00 24.20 O HETATM 1377 O HOH 80 -17.972 -16.083 -17.811 1.00 36.19 O HETATM 1378 O HOH 81 -6.939 -21.504 -29.520 1.00 35.55 O HETATM 1379 O HOH 82 -13.749 -15.895 -30.859 1.00 50.25 O HETATM 1380 O HOH 83 5.664 -18.432 -4.601 1.00 39.19 O HETATM 1381 O HOH 84 -1.144 -19.137 -0.134 1.00 39.17 O HETATM 1382 O HOH 85 -22.979 -10.852 -19.597 1.00 24.43 O HETATM 1383 O HOH 86 1.356 -4.119 -12.704 1.00 45.57 O HETATM 1384 O HOH 87 -9.451 -12.015 -16.444 1.00 31.85 O HETATM 1385 O HOH 88 -2.279 -10.241 -31.553 1.00 42.11 O HETATM 1386 O HOH 89 -15.834 -5.258 -32.183 1.00 22.87 O HETATM 1387 O HOH 90 6.324 -12.178 -7.314 1.00 39.80 O HETATM 1388 O HOH 91 -12.582 2.172 -0.716 1.00 39.09 O HETATM 1389 O HOH 92 -13.073 -8.401 -30.784 1.00 33.08 O HETATM 1390 O HOH 93 -7.563 3.205 -20.317 1.00 21.31 O HETATM 1391 O HOH 94 1.679 -13.588 -27.647 1.00 25.90 O HETATM 1392 O HOH 95 3.990 -15.078 -18.333 1.00 35.38 O HETATM 1393 O HOH 96 -11.774 -13.474 -15.679 1.00 33.12 O HETATM 1394 O HOH 97 -9.828 -11.591 -19.620 1.00 24.79 O HETATM 1395 O HOH 98 -17.756 -14.230 -21.169 1.00 42.56 O HETATM 1396 O HOH 99 -0.460 -20.012 -27.284 1.00 30.67 O HETATM 1397 O HOH 100 4.015 -19.924 -4.537 1.00 48.52 O HETATM 1398 O HOH 101 -15.705 -18.927 -18.794 1.00 28.87 O HETATM 1399 O HOH 102 -20.209 -18.271 -7.589 1.00 53.05 O HETATM 1400 O HOH 103 -13.153 -11.683 -17.571 1.00 24.53 O HETATM 1401 O HOH 104 -6.902 3.946 -1.487 1.00 37.28 O HETATM 1402 O HOH 105 -14.889 -9.073 -29.966 1.00 49.90 O HETATM 1403 O HOH 106 -23.138 -2.717 -23.212 1.00 38.36 O HETATM 1404 O HOH 107 1.776 -20.033 -25.562 1.00 43.12 O HETATM 1405 O HOH 108 -7.266 3.915 -22.817 1.00 29.30 O HETATM 1406 O HOH 109 -13.613 -9.628 2.424 1.00 26.00 O HETATM 1407 O HOH 110 -9.528 -18.797 -29.989 1.00 61.03 O HETATM 1408 O HOH 111 -25.817 -7.562 -12.875 1.00 48.44 O HETATM 1409 O HOH 112 -19.535 -14.480 -5.815 1.00 41.16 O HETATM 1410 O HOH 113 -21.063 -2.113 -11.774 1.00 38.97 O HETATM 1411 O HOH 114 -21.633 -14.582 -14.231 1.00 42.15 O HETATM 1412 O HOH 115 -9.666 2.763 -22.344 1.00 48.28 O HETATM 1413 O HOH 116 -8.919 2.978 -0.991 1.00 48.83 O HETATM 1414 O HOH 117 4.363 -6.119 -10.467 1.00 42.57 O HETATM 1415 O HOH 118 -12.453 -12.586 -30.599 1.00 62.80 O HETATM 1416 O HOH 119 -2.176 4.107 -14.265 1.00 43.78 O HETATM 1417 O HOH 120 -4.566 -25.595 -4.631 1.00 34.24 O HETATM 1418 C8 UNN A 121 -11.565 -7.422 -19.097 1.00 -0.02 C HETATM 1419 C7 UNN A 121 -12.496 -7.339 -17.980 1.00 -0.00 C HETATM 1420 C4 UNN A 121 -13.904 -6.828 -18.043 1.00 -0.04 C HETATM 1421 C5 UNN A 121 -14.985 -7.451 -17.402 1.00 -0.06 C HETATM 1422 C6 UNN A 121 -16.260 -6.897 -17.534 1.00 -0.07 C HETATM 1423 C1 UNN A 121 -16.436 -5.655 -18.209 1.00 -0.07 C HETATM 1424 C2 UNN A 121 -15.326 -5.006 -18.805 1.00 -0.07 C HETATM 1425 C3 UNN A 121 -14.028 -5.598 -18.715 1.00 -0.06 C HETATM 1426 H18 UNN A 121 -13.163 -5.113 -19.152 1.00 0.06 H HETATM 1427 H1 UNN A 121 -15.461 -4.065 -19.326 1.00 0.06 H HETATM 1428 H5 UNN A 121 -17.421 -5.205 -18.267 1.00 0.06 H HETATM 1429 H3 UNN A 121 -17.119 -7.414 -17.121 1.00 0.06 H HETATM 1430 H2 UNN A 121 -14.833 -8.348 -16.813 1.00 0.06 H HETATM 1431 C14 UNN A 121 -11.751 -7.843 -16.845 1.00 0.08 C HETATM 1432 N UNN A 121 -10.491 -8.182 -17.212 1.00 -0.26 N HETATM 1433 C21 UNN A 121 -9.359 -8.595 -16.332 1.00 0.06 C HETATM 1434 C22 UNN A 121 -8.539 -7.287 -16.248 1.00 0.03 C HETATM 1435 C23 UNN A 121 -9.245 -6.085 -15.604 1.00 0.04 C HETATM 1436 O1 UNN A 121 -9.894 -5.181 -16.214 1.00 -0.57 O HETATM 1437 O2 UNN A 121 -9.378 -6.080 -14.320 1.00 -0.57 O HETATM 1438 H8 UNN A 121 -8.257 -7.001 -17.272 1.00 0.05 H HETATM 1439 H9 UNN A 121 -7.632 -7.497 -15.662 1.00 0.05 H HETATM 1440 H6 UNN A 121 -9.716 -8.910 -15.340 1.00 0.06 H HETATM 1441 H7 UNN A 121 -8.773 -9.408 -16.786 1.00 0.06 H HETATM 1442 C13 UNN A 121 -10.298 -7.991 -18.539 1.00 0.06 C HETATM 1443 C12 UNN A 121 -9.203 -8.176 -19.382 1.00 -0.05 C HETATM 1444 C11 UNN A 121 -9.396 -7.859 -20.731 1.00 -0.07 C HETATM 1445 C10 UNN A 121 -10.620 -7.355 -21.259 1.00 -0.06 C HETATM 1446 C24 UNN A 121 -10.872 -6.989 -22.728 1.00 -0.01 C HETATM 1447 C25 UNN A 121 -10.719 -8.391 -23.166 1.00 -0.04 C HETATM 1448 C26 UNN A 121 -9.674 -7.378 -23.598 1.00 -0.04 C HETATM 1449 H21 UNN A 121 -8.662 -7.407 -23.169 1.00 0.03 H HETATM 1450 H22 UNN A 121 -9.619 -7.050 -24.646 1.00 0.03 H HETATM 1451 H11 UNN A 121 -11.414 -8.810 -23.909 1.00 0.03 H HETATM 1452 H12 UNN A 121 -10.456 -9.167 -22.432 1.00 0.03 H HETATM 1453 H10 UNN A 121 -11.618 -6.222 -22.982 1.00 0.04 H HETATM 1454 C9 UNN A 121 -11.707 -7.160 -20.435 1.00 -0.07 C HETATM 1455 H19 UNN A 121 -12.651 -6.808 -20.835 1.00 0.05 H HETATM 1456 H4 UNN A 121 -8.567 -8.005 -21.414 1.00 0.05 H HETATM 1457 H20 UNN A 121 -8.253 -8.546 -19.012 1.00 0.05 H HETATM 1458 C15 UNN A 121 -12.291 -7.980 -15.469 1.00 0.01 C HETATM 1459 C16 UNN A 121 -12.306 -9.311 -15.029 1.00 -0.05 C HETATM 1460 C17 UNN A 121 -12.785 -9.622 -13.733 1.00 -0.06 C HETATM 1461 C18 UNN A 121 -13.190 -8.567 -12.892 1.00 -0.06 C HETATM 1462 C19 UNN A 121 -13.204 -7.223 -13.389 1.00 -0.06 C HETATM 1463 C20 UNN A 121 -12.716 -6.926 -14.684 1.00 -0.05 C HETATM 1464 H17 UNN A 121 -12.677 -5.905 -15.047 1.00 0.06 H HETATM 1465 H16 UNN A 121 -13.592 -6.425 -12.766 1.00 0.06 H HETATM 1466 H15 UNN A 121 -13.491 -8.771 -11.871 1.00 0.06 H HETATM 1467 H14 UNN A 121 -12.839 -10.651 -13.395 1.00 0.06 H HETATM 1468 H13 UNN A 121 -11.951 -10.102 -15.680 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1418 1419 1442 1454 CONECT 1419 1418 1420 1431 CONECT 1420 1419 1421 1425 CONECT 1421 1420 1422 1430 CONECT 1422 1421 1423 1429 CONECT 1423 1422 1424 1428 CONECT 1424 1423 1425 1427 CONECT 1425 1420 1424 1426 CONECT 1426 1425 CONECT 1427 1424 CONECT 1428 1423 CONECT 1429 1422 CONECT 1430 1421 CONECT 1431 1419 1432 1458 CONECT 1432 1431 1433 1442 CONECT 1433 1432 1434 1440 1441 CONECT 1434 1433 1435 1438 1439 CONECT 1435 1434 1436 1437 CONECT 1436 1435 CONECT 1437 1435 CONECT 1438 1434 CONECT 1439 1434 CONECT 1440 1433 CONECT 1441 1433 CONECT 1442 1418 1432 1443 CONECT 1443 1442 1444 1457 CONECT 1444 1443 1445 1456 CONECT 1445 1444 1446 1454 CONECT 1446 1445 1447 1448 1453 CONECT 1447 1446 1448 1451 1452 CONECT 1448 1446 1447 1449 1450 CONECT 1449 1448 CONECT 1450 1448 CONECT 1451 1447 CONECT 1452 1447 CONECT 1453 1446 CONECT 1454 1418 1445 1455 CONECT 1455 1454 CONECT 1456 1444 CONECT 1457 1443 CONECT 1458 1431 1459 1463 CONECT 1459 1458 1460 1468 CONECT 1460 1459 1461 1467 CONECT 1461 1460 1462 1466 CONECT 1462 1461 1463 1465 CONECT 1463 1458 1462 1464 CONECT 1464 1463 CONECT 1465 1462 CONECT 1466 1461 CONECT 1467 1460 CONECT 1468 1459 MASTER 0 0 0 0 0 0 0 0 1467 1 55 11 END
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Structure:
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Related entries of code: 5d45
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2hnx
RCSB PDB
PDBbind
136aa, >2HNX_1|Chain... at 100%
5d47
RCSB PDB
PDBbind
152aa, >5D47_1|Chain... at 100%
5d48
RCSB PDB
PDBbind
152aa, >5D48_1|Chain... at 100%
5d4a
RCSB PDB
PDBbind
152aa, >5D4A_1|Chain... at 100%
5hz8
RCSB PDB
PDBbind
135aa, >5HZ8_1|Chain... at 94%
5y0f
RCSB PDB
PDBbind
152aa, >5Y0F_1|Chain... at 100%
5y0g
RCSB PDB
PDBbind
152aa, >5Y0G_1|Chain... at 100%
5y0x
RCSB PDB
PDBbind
152aa, >5Y0X_1|Chain... at 100%
5y12
RCSB PDB
PDBbind
152aa, >5Y12_1|Chain... at 100%
5y13
RCSB PDB
PDBbind
152aa, >5Y13_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5d45
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human Fatty acid-binding protein, adipocyte (FABP4)
Ligand Name
57P
EC.Number
E.C.-.-.-.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Ki=0.12uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Acs Med.Chem.Lett. Vol. 7: pp. 435-439
Ligand Properties
Formula
C
2
6
H
2
3
NO
2
Molecular Weight
381.466
Exact Mass
381.173
No. of atoms
52
No. of bonds
56
Polar Surface Area
42.23
LOGP Value
7.07 (
Computed with XLOGP3
)
6.33 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 5
Canonical SMILES
OC(=O)CCn1c2ccc(cc2c(c1c1ccccc1)c1ccccc1)C1CC1
InChI String
InChI=1S/C26H23NO2/c28-24(29)15-16-27-23-14-13-21(18-11-12-18)17-22(23)25(19-7-3-1-4-8-19)26(27)20-9-5-2-6-10-20/h1-10,13-14,17-18H,11-12,15-16H2,(H,28,29)
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):
P15090
Entrez Gene ID
NCBI Entrez Gene ID:
2167
ASD
Information of known allosteric effects of PDB entries
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