Browse entries in the PDBbind-CN Database
HEADER 6QMT_COMPLEX COMPND 6QMT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 230 ILE LEU GLY GLY ARG GLU ALA GLU ALA HIS ALA ARG PRO SEQRES 2 A 230 TYR MET ALA SER VAL GLN LEU ASN GLY ALA HIS LEU CYS SEQRES 3 A 230 GLY GLY VAL LEU VAL ALA GLU GLN TRP VAL LEU SER ALA SEQRES 4 A 230 ALA HIS CYS LEU GLU ASP ALA ALA ASP GLY LYS VAL GLN SEQRES 5 A 230 VAL LEU LEU GLY ALA HIS SER LEU SER GLN PRO GLU PRO SEQRES 6 A 230 SER LYS ARG LEU TYR ASP VAL LEU ARG ALA VAL PRO HIS SEQRES 7 A 230 PRO ASP SER GLN PRO ASP THR ILE ASP HIS ASP LEU LEU SEQRES 8 A 230 LEU LEU GLN LEU SER GLU LYS ALA THR LEU GLY PRO ALA SEQRES 9 A 230 VAL ARG PRO LEU PRO TRP GLN ARG VAL ASP ARG ASP VAL SEQRES 10 A 230 ALA PRO GLY THR LEU CYS ASP VAL ALA GLY TRP GLY ILE SEQRES 11 A 230 VAL ASN HIS ALA GLY ARG ARG PRO ASP SER LEU GLN HIS SEQRES 12 A 230 VAL LEU LEU PRO VAL LEU ASP ARG ALA THR CYS ASN ARG SEQRES 13 A 230 ARG THR HIS HIS ASP GLY ALA ILE THR GLU ARG LEU MET SEQRES 14 A 230 CYS ALA GLU SER ASN ARG ARG ASP SER CYS LYS GLY ASP SEQRES 15 A 230 SER GLY GLY PRO LEU VAL CYS GLY GLY VAL LEU GLU GLY SEQRES 16 A 230 VAL VAL THR SER GLY SER ARG VAL CYS GLY ASN ARG LYS SEQRES 17 A 230 LYS PRO GLY ILE TYR THR ARG VAL ALA SER TYR ALA ALA SEQRES 18 A 230 TRP ILE ASP SER VAL LEU ALA SER ALA HET J A 7B 47 SSBOND 1 CYS A 42 CYS A 58 SSBOND 2 CYS A 168 CYS A 182 SSBOND 3 CYS A 136 CYS A 201 SSBOND 4 CYS A 191 CYS A 220 ATOM 1 N ILE A 16 -15.624 3.054 9.292 1.00 10.58 N ATOM 2 CA ILE A 16 -15.657 1.717 9.891 1.00 12.24 C ATOM 3 C ILE A 16 -16.603 0.847 9.060 1.00 20.97 C ATOM 4 O ILE A 16 -17.791 1.183 8.934 1.00 19.76 O ATOM 5 CB ILE A 16 -16.165 1.753 11.372 1.00 14.20 C ATOM 6 CG1 ILE A 16 -15.352 2.750 12.302 1.00 14.95 C ATOM 7 CG2 ILE A 16 -16.215 0.346 11.969 1.00 14.85 C ATOM 8 CD1 ILE A 16 -13.897 2.259 12.671 1.00 17.83 C ATOM 9 HN3 ILE A 16 -16.582 3.459 9.298 1.00 0.00 H ATOM 10 HN2 ILE A 16 -15.281 2.985 8.313 1.00 0.00 H ATOM 11 HN1 ILE A 16 -14.986 3.663 9.842 1.00 0.00 H ATOM 12 N LEU A 17 -16.106 -0.283 8.567 1.00 18.10 N ATOM 13 CA LEU A 17 -16.930 -1.249 7.833 1.00 18.38 C ATOM 14 C LEU A 17 -17.418 -2.315 8.796 1.00 21.76 C ATOM 15 O LEU A 17 -16.649 -2.807 9.640 1.00 18.99 O ATOM 16 CB LEU A 17 -16.159 -1.965 6.701 1.00 18.02 C ATOM 17 CG LEU A 17 -15.461 -1.171 5.579 1.00 23.14 C ATOM 18 CD1 LEU A 17 -15.057 -2.101 4.455 1.00 24.17 C ATOM 19 CD2 LEU A 17 -16.341 -0.101 5.020 1.00 24.04 C ATOM 20 H LEU A 17 -15.096 -0.490 8.707 1.00 0.00 H ATOM 21 N GLY A 18 -18.677 -2.704 8.640 1.00 18.76 N ATOM 22 CA GLY A 18 -19.270 -3.773 9.448 1.00 19.18 C ATOM 23 C GLY A 18 -19.400 -3.503 10.936 1.00 23.00 C ATOM 24 O GLY A 18 -19.427 -4.444 11.737 1.00 23.44 O ATOM 25 H GLY A 18 -19.263 -2.234 7.920 1.00 0.00 H ATOM 26 N GLY A 19 -19.425 -2.223 11.300 1.00 20.74 N ATOM 27 CA GLY A 19 -19.548 -1.800 12.681 1.00 18.67 C ATOM 28 C GLY A 19 -20.971 -1.397 13.030 1.00 22.60 C ATOM 29 O GLY A 19 -21.922 -1.732 12.315 1.00 23.91 O ATOM 30 H GLY A 19 -19.353 -1.494 10.561 1.00 0.00 H ATOM 31 N ARG A 20 -21.120 -0.711 14.146 1.00 20.59 N ATOM 32 CA ARG A 20 -22.415 -0.267 14.657 1.00 20.94 C ATOM 33 C ARG A 20 -22.272 1.137 15.121 1.00 22.52 C ATOM 34 O ARG A 20 -21.165 1.550 15.480 1.00 21.84 O ATOM 35 CB ARG A 20 -22.817 -1.167 15.847 1.00 21.97 C ATOM 36 H ARG A 20 -20.268 -0.473 14.693 1.00 0.00 H ATOM 37 N GLU A 21 -23.382 1.888 15.153 1.00 19.28 N ATOM 38 CA GLU A 21 -23.340 3.239 15.666 1.00 19.32 C ATOM 39 C GLU A 21 -23.026 3.133 17.163 1.00 23.08 C ATOM 40 O GLU A 21 -23.626 2.325 17.879 1.00 22.61 O ATOM 41 CB GLU A 21 -24.660 3.988 15.435 1.00 20.02 C ATOM 42 CG GLU A 21 -24.598 5.416 15.972 1.00 24.18 C ATOM 43 CD GLU A 21 -25.834 6.265 15.773 1.00 35.46 C ATOM 44 OE1 GLU A 21 -26.358 6.302 14.640 1.00 38.39 O ATOM 45 OE2 GLU A 21 -26.277 6.904 16.751 1.00 32.83 O ATOM 46 H GLU A 21 -24.280 1.496 14.806 1.00 0.00 H ATOM 47 N ALA A 22 -22.051 3.912 17.608 1.00 18.73 N ATOM 48 CA ALA A 22 -21.642 3.940 19.004 1.00 16.88 C ATOM 49 C ALA A 22 -22.729 4.583 19.847 1.00 21.31 C ATOM 50 O ALA A 22 -23.512 5.396 19.333 1.00 19.32 O ATOM 51 CB ALA A 22 -20.343 4.737 19.153 1.00 17.54 C ATOM 52 H ALA A 22 -21.558 4.529 16.932 1.00 0.00 H ATOM 53 N GLU A 23 -22.774 4.228 21.137 1.00 20.16 N ATOM 54 CA GLU A 23 -23.712 4.865 22.064 1.00 20.08 C ATOM 55 C GLU A 23 -23.228 6.321 22.154 1.00 22.86 C ATOM 56 O GLU A 23 -22.024 6.548 22.319 1.00 22.02 O ATOM 57 CB GLU A 23 -23.654 4.195 23.449 1.00 21.48 C ATOM 58 CG GLU A 23 -24.743 4.679 24.398 1.00 29.13 C ATOM 59 CD GLU A 23 -24.503 4.487 25.885 1.00 50.23 C ATOM 60 OE1 GLU A 23 -23.751 3.561 26.267 1.00 45.67 O ATOM 61 OE2 GLU A 23 -25.089 5.261 26.675 1.00 47.41 O ATOM 62 H GLU A 23 -22.132 3.488 21.487 1.00 0.00 H ATOM 63 N ALA A 24 -24.145 7.298 21.985 1.00 20.92 N ATOM 64 CA ALA A 24 -23.812 8.736 22.000 1.00 21.90 C ATOM 65 C ALA A 24 -22.944 9.158 23.175 1.00 23.73 C ATOM 66 O ALA A 24 -23.351 8.990 24.318 1.00 23.36 O ATOM 67 CB ALA A 24 -25.071 9.600 21.927 1.00 22.52 C ATOM 68 H ALA A 24 -25.137 7.023 21.837 1.00 0.00 H ATOM 69 N HIS A 25 -21.718 9.648 22.876 1.00 20.30 N ATOM 70 CA HIS A 25 -20.728 10.169 23.836 1.00 19.74 C ATOM 71 C HIS A 25 -20.162 9.094 24.789 1.00 21.49 C ATOM 72 O HIS A 25 -19.591 9.444 25.827 1.00 21.99 O ATOM 73 CB HIS A 25 -21.277 11.403 24.625 1.00 20.71 C ATOM 74 CG HIS A 25 -21.962 12.397 23.738 1.00 23.47 C ATOM 75 ND1 HIS A 25 -21.242 13.237 22.914 1.00 24.75 N ATOM 76 CD2 HIS A 25 -23.281 12.591 23.512 1.00 23.91 C ATOM 77 CE1 HIS A 25 -22.136 13.925 22.226 1.00 23.61 C ATOM 78 NE2 HIS A 25 -23.377 13.571 22.545 1.00 23.48 N ATOM 79 H HIS A 25 -21.448 9.658 21.872 1.00 0.00 H ATOM 80 N ALA A 26 -20.249 7.795 24.397 1.00 18.35 N ATOM 81 CA ALA A 26 -19.679 6.677 25.196 1.00 17.27 C ATOM 82 C ALA A 26 -18.181 6.524 24.935 1.00 21.48 C ATOM 83 O ALA A 26 -17.506 5.783 25.661 1.00 21.84 O ATOM 84 CB ALA A 26 -20.370 5.367 24.856 1.00 17.56 C ATOM 85 H ALA A 26 -20.733 7.574 23.503 1.00 0.00 H ATOM 86 N ARG A 27 -17.661 7.195 23.892 1.00 15.81 N ATOM 87 CA ARG A 27 -16.221 7.173 23.588 1.00 15.59 C ATOM 88 C ARG A 27 -15.767 8.652 23.575 1.00 16.14 C ATOM 89 O ARG A 27 -15.486 9.214 22.519 1.00 15.31 O ATOM 90 CB ARG A 27 -15.996 6.444 22.270 1.00 18.67 C ATOM 91 CG ARG A 27 -16.045 4.917 22.525 1.00 24.24 C ATOM 92 CD ARG A 27 -16.443 4.095 21.331 1.00 34.28 C ATOM 93 NE ARG A 27 -16.679 2.718 21.761 1.00 30.15 N ATOM 94 CZ ARG A 27 -17.849 2.254 22.177 1.00 46.74 C ATOM 95 NH1 ARG A 27 -18.923 3.048 22.198 1.00 37.83 N ATOM 96 NH2 ARG A 27 -17.967 0.991 22.558 1.00 27.12 N ATOM 97 HE ARG A 27 -15.875 2.058 21.739 1.00 0.00 H ATOM 98 HH12 ARG A 27 -19.838 2.677 22.526 1.00 0.00 H ATOM 99 HH11 ARG A 27 -18.845 4.037 21.887 1.00 0.00 H ATOM 100 HH22 ARG A 27 -18.886 0.630 22.884 1.00 0.00 H ATOM 101 HH21 ARG A 27 -17.140 0.360 22.531 1.00 0.00 H ATOM 102 H ARG A 27 -18.296 7.747 23.281 1.00 0.00 H ATOM 103 N PRO A 28 -15.752 9.287 24.767 1.00 14.05 N ATOM 104 CA PRO A 28 -15.478 10.735 24.867 1.00 12.78 C ATOM 105 C PRO A 28 -14.082 11.208 24.511 1.00 14.05 C ATOM 106 O PRO A 28 -13.827 12.414 24.527 1.00 13.49 O ATOM 107 CB PRO A 28 -15.783 11.025 26.345 1.00 13.94 C ATOM 108 CG PRO A 28 -15.475 9.751 27.022 1.00 17.88 C ATOM 109 CD PRO A 28 -16.027 8.729 26.111 1.00 14.46 C ATOM 110 N TYR A 29 -13.170 10.278 24.245 1.00 10.74 N ATOM 111 CA TYR A 29 -11.803 10.568 23.834 1.00 9.71 C ATOM 112 C TYR A 29 -11.728 10.805 22.322 1.00 13.58 C ATOM 113 O TYR A 29 -10.681 11.218 21.810 1.00 12.50 O ATOM 114 CB TYR A 29 -10.872 9.398 24.255 1.00 11.06 C ATOM 115 CG TYR A 29 -11.420 8.025 23.918 1.00 11.89 C ATOM 116 CD1 TYR A 29 -11.390 7.539 22.610 1.00 12.00 C ATOM 117 CD2 TYR A 29 -12.012 7.227 24.899 1.00 13.88 C ATOM 118 CE1 TYR A 29 -11.921 6.288 22.288 1.00 12.85 C ATOM 119 CE2 TYR A 29 -12.538 5.975 24.589 1.00 14.73 C ATOM 120 CZ TYR A 29 -12.484 5.505 23.285 1.00 19.07 C ATOM 121 OH TYR A 29 -12.933 4.235 23.003 1.00 16.71 O ATOM 122 HH TYR A 29 -12.826 4.056 22.035 1.00 0.00 H ATOM 123 H TYR A 29 -13.450 9.281 24.336 1.00 0.00 H ATOM 124 N MET A 30 -12.813 10.487 21.585 1.00 9.78 N ATOM 125 CA MET A 30 -12.829 10.620 20.141 1.00 9.88 C ATOM 126 C MET A 30 -12.731 12.047 19.670 1.00 14.76 C ATOM 127 O MET A 30 -13.433 12.917 20.165 1.00 15.44 O ATOM 128 CB MET A 30 -14.078 9.955 19.543 1.00 11.71 C ATOM 129 CG MET A 30 -13.997 8.425 19.521 1.00 13.57 C ATOM 130 SD MET A 30 -12.498 7.785 18.690 1.00 17.07 S ATOM 131 CE MET A 30 -12.643 8.472 17.109 1.00 12.78 C ATOM 132 H MET A 30 -13.664 10.136 22.068 1.00 0.00 H ATOM 133 N ALA A 31 -11.851 12.276 18.703 1.00 12.74 N ATOM 134 CA ALA A 31 -11.654 13.577 18.083 1.00 12.91 C ATOM 135 C ALA A 31 -11.881 13.416 16.564 1.00 16.54 C ATOM 136 O ALA A 31 -11.552 12.376 15.998 1.00 14.00 O ATOM 137 CB ALA A 31 -10.241 14.051 18.345 1.00 12.86 C ATOM 138 H ALA A 31 -11.270 11.481 18.370 1.00 0.00 H ATOM 139 N SER A 32 -12.462 14.446 15.912 1.00 14.24 N ATOM 140 CA SER A 32 -12.602 14.479 14.449 1.00 12.65 C ATOM 141 C SER A 32 -11.594 15.575 14.048 1.00 17.17 C ATOM 142 O SER A 32 -11.669 16.691 14.559 1.00 17.69 O ATOM 143 CB SER A 32 -14.017 14.888 14.033 1.00 15.79 C ATOM 144 OG SER A 32 -14.036 15.220 12.650 1.00 19.16 O ATOM 145 HG SER A 32 -13.753 14.434 12.119 1.00 0.00 H ATOM 146 H SER A 32 -12.825 15.247 16.467 1.00 0.00 H ATOM 147 N VAL A 33 -10.614 15.225 13.230 1.00 15.66 N ATOM 148 CA VAL A 33 -9.561 16.123 12.767 1.00 15.96 C ATOM 149 C VAL A 33 -10.117 16.706 11.474 1.00 21.10 C ATOM 150 O VAL A 33 -10.509 15.968 10.564 1.00 18.37 O ATOM 151 CB VAL A 33 -8.170 15.447 12.618 1.00 18.20 C ATOM 152 CG1 VAL A 33 -7.145 16.410 12.023 1.00 18.49 C ATOM 153 CG2 VAL A 33 -7.663 14.911 13.959 1.00 16.87 C ATOM 154 H VAL A 33 -10.593 14.241 12.894 1.00 0.00 H ATOM 155 N GLN A 34 -10.242 18.036 11.437 1.00 20.55 N ATOM 156 CA GLN A 34 -10.919 18.667 10.316 1.00 20.16 C ATOM 157 C GLN A 34 -10.095 19.720 9.610 1.00 21.41 C ATOM 158 O GLN A 34 -9.218 20.343 10.202 1.00 21.57 O ATOM 159 CB GLN A 34 -12.265 19.264 10.780 1.00 20.99 C ATOM 160 CG GLN A 34 -13.142 18.276 11.599 1.00 24.10 C ATOM 161 CD GLN A 34 -14.621 18.575 11.570 1.00 39.96 C ATOM 162 OE1 GLN A 34 -15.078 19.571 10.997 1.00 40.74 O ATOM 163 NE2 GLN A 34 -15.408 17.705 12.176 1.00 18.66 N ATOM 164 HE22 GLN A 34 -14.998 16.875 12.651 1.00 0.00 H ATOM 165 HE21 GLN A 34 -16.438 17.849 12.179 1.00 0.00 H ATOM 166 H GLN A 34 -9.856 18.618 12.208 1.00 0.00 H ATOM 167 N LEU A 35 -10.388 19.894 8.338 1.00 21.47 N ATOM 168 CA LEU A 35 -9.734 20.884 7.500 1.00 25.05 C ATOM 169 C LEU A 35 -10.839 21.774 6.949 1.00 33.52 C ATOM 170 O LEU A 35 -11.683 21.304 6.179 1.00 32.64 O ATOM 171 CB LEU A 35 -8.929 20.236 6.365 1.00 26.60 C ATOM 172 CG LEU A 35 -8.195 21.252 5.471 1.00 32.04 C ATOM 173 CD1 LEU A 35 -6.980 21.852 6.193 1.00 32.16 C ATOM 174 CD2 LEU A 35 -7.810 20.617 4.153 1.00 37.46 C ATOM 175 H LEU A 35 -11.123 19.294 7.913 1.00 0.00 H ATOM 176 N ASN A 36 -10.878 23.038 7.410 1.00 34.31 N ATOM 177 CA ASN A 36 -11.927 24.001 7.044 1.00 35.43 C ATOM 178 C ASN A 36 -13.328 23.387 7.287 1.00 40.23 C ATOM 179 O ASN A 36 -14.215 23.494 6.436 1.00 39.10 O ATOM 180 CB ASN A 36 -11.744 24.510 5.602 1.00 34.23 C ATOM 181 CG ASN A 36 -10.447 25.254 5.362 1.00 60.01 C ATOM 182 OD1 ASN A 36 -9.943 25.997 6.217 1.00 55.62 O ATOM 183 ND2 ASN A 36 -9.880 25.070 4.179 1.00 50.79 N ATOM 184 HD22 ASN A 36 -10.326 24.441 3.481 1.00 0.00 H ATOM 185 HD21 ASN A 36 -8.989 25.555 3.948 1.00 0.00 H ATOM 186 H ASN A 36 -10.127 23.350 8.059 1.00 0.00 H ATOM 187 N GLY A 38 -13.465 22.682 8.417 1.00 36.51 N ATOM 188 CA GLY A 38 -14.708 22.029 8.820 1.00 35.27 C ATOM 189 C GLY A 38 -15.096 20.737 8.129 1.00 37.11 C ATOM 190 O GLY A 38 -16.222 20.278 8.333 1.00 38.17 O ATOM 191 H GLY A 38 -12.639 22.594 9.043 1.00 0.00 H ATOM 192 N ALA A 39 -14.198 20.122 7.319 1.00 29.72 N ATOM 193 CA ALA A 39 -14.497 18.833 6.673 1.00 27.33 C ATOM 194 C ALA A 39 -13.729 17.724 7.425 1.00 26.24 C ATOM 195 O ALA A 39 -12.531 17.883 7.647 1.00 26.57 O ATOM 196 CB ALA A 39 -14.071 18.854 5.214 1.00 28.45 C ATOM 197 H ALA A 39 -13.276 20.572 7.150 1.00 0.00 H ATOM 198 N HIS A 40 -14.399 16.614 7.786 1.00 20.91 N ATOM 199 CA HIS A 40 -13.738 15.490 8.495 1.00 17.08 C ATOM 200 C HIS A 40 -12.667 14.873 7.617 1.00 19.01 C ATOM 201 O HIS A 40 -12.963 14.409 6.511 1.00 19.22 O ATOM 202 CB HIS A 40 -14.741 14.413 8.924 1.00 15.78 C ATOM 203 CG HIS A 40 -14.085 13.196 9.540 1.00 17.72 C ATOM 204 ND1 HIS A 40 -13.751 13.154 10.888 1.00 18.82 N ATOM 205 CD2 HIS A 40 -13.736 12.020 8.971 1.00 18.43 C ATOM 206 CE1 HIS A 40 -13.182 11.972 11.086 1.00 16.64 C ATOM 207 NE2 HIS A 40 -13.146 11.257 9.961 1.00 17.25 N ATOM 208 H HIS A 40 -15.412 16.542 7.561 1.00 0.00 H ATOM 209 N LEU A 41 -11.427 14.859 8.112 1.00 17.33 N ATOM 210 CA LEU A 41 -10.270 14.314 7.396 1.00 17.35 C ATOM 211 C LEU A 41 -9.870 12.974 7.991 1.00 20.06 C ATOM 212 O LEU A 41 -9.703 12.007 7.254 1.00 18.30 O ATOM 213 CB LEU A 41 -9.102 15.288 7.585 1.00 18.28 C ATOM 214 CG LEU A 41 -7.781 15.203 6.841 1.00 25.81 C ATOM 215 CD1 LEU A 41 -7.938 14.694 5.369 1.00 26.73 C ATOM 216 CD2 LEU A 41 -7.120 16.591 6.892 1.00 31.13 C ATOM 217 H LEU A 41 -11.273 15.258 9.060 1.00 0.00 H ATOM 218 N CYS A 42 -9.738 12.923 9.329 1.00 15.32 N ATOM 219 CA CYS A 42 -9.260 11.735 10.054 1.00 13.39 C ATOM 220 C CYS A 42 -9.829 11.730 11.440 1.00 15.91 C ATOM 221 O CYS A 42 -10.301 12.753 11.925 1.00 14.66 O ATOM 222 CB CYS A 42 -7.742 11.792 10.154 1.00 13.34 C ATOM 223 SG CYS A 42 -6.858 11.293 8.668 1.00 17.74 S ATOM 224 H CYS A 42 -9.987 13.769 9.881 1.00 0.00 H ATOM 225 N GLY A 43 -9.676 10.597 12.112 1.00 12.49 N ATOM 226 CA GLY A 43 -9.970 10.520 13.532 1.00 11.78 C ATOM 227 C GLY A 43 -8.753 11.012 14.299 1.00 13.96 C ATOM 228 O GLY A 43 -7.666 11.238 13.735 1.00 13.28 O ATOM 229 H GLY A 43 -9.340 9.749 11.613 1.00 0.00 H ATOM 230 N GLY A 44 -8.933 11.129 15.589 1.00 12.44 N ATOM 231 CA GLY A 44 -7.909 11.513 16.538 1.00 10.36 C ATOM 232 C GLY A 44 -8.347 11.001 17.894 1.00 12.67 C ATOM 233 O GLY A 44 -9.511 10.663 18.085 1.00 12.88 O ATOM 234 H GLY A 44 -9.884 10.931 15.961 1.00 0.00 H ATOM 235 N VAL A 45 -7.440 10.999 18.848 1.00 11.62 N ATOM 236 CA VAL A 45 -7.753 10.572 20.198 1.00 11.19 C ATOM 237 C VAL A 45 -7.193 11.624 21.182 1.00 12.45 C ATOM 238 O VAL A 45 -6.026 11.975 21.112 1.00 11.63 O ATOM 239 CB VAL A 45 -7.271 9.106 20.504 1.00 15.16 C ATOM 240 CG1 VAL A 45 -5.815 8.887 20.149 1.00 15.79 C ATOM 241 CG2 VAL A 45 -7.519 8.703 21.962 1.00 13.25 C ATOM 242 H VAL A 45 -6.473 11.312 18.628 1.00 0.00 H ATOM 243 N LEU A 46 -8.045 12.110 22.086 1.00 11.83 N ATOM 244 CA LEU A 46 -7.616 13.056 23.108 1.00 10.86 C ATOM 245 C LEU A 46 -6.723 12.279 24.098 1.00 14.41 C ATOM 246 O LEU A 46 -7.117 11.212 24.547 1.00 13.08 O ATOM 247 CB LEU A 46 -8.854 13.662 23.801 1.00 11.67 C ATOM 248 CG LEU A 46 -8.617 14.845 24.720 1.00 16.05 C ATOM 249 CD1 LEU A 46 -8.100 16.084 23.914 1.00 16.22 C ATOM 250 CD2 LEU A 46 -9.929 15.234 25.404 1.00 16.89 C ATOM 251 H LEU A 46 -9.039 11.806 22.061 1.00 0.00 H ATOM 252 N VAL A 47 -5.459 12.735 24.304 1.00 13.84 N ATOM 253 CA VAL A 47 -4.517 12.053 25.216 1.00 13.80 C ATOM 254 C VAL A 47 -4.153 12.925 26.427 1.00 22.05 C ATOM 255 O VAL A 47 -3.555 12.436 27.395 1.00 20.38 O ATOM 256 CB VAL A 47 -3.261 11.480 24.504 1.00 17.68 C ATOM 257 CG1 VAL A 47 -3.649 10.341 23.545 1.00 18.09 C ATOM 258 CG2 VAL A 47 -2.474 12.570 23.789 1.00 16.97 C ATOM 259 H VAL A 47 -5.145 13.591 23.804 1.00 0.00 H ATOM 260 N ALA A 48 -4.495 14.218 26.359 1.00 22.06 N ATOM 261 CA ALA A 48 -4.294 15.182 27.456 1.00 22.67 C ATOM 262 C ALA A 48 -5.282 16.304 27.239 1.00 26.29 C ATOM 263 O ALA A 48 -5.908 16.357 26.180 1.00 26.63 O ATOM 264 CB ALA A 48 -2.861 15.717 27.432 1.00 23.71 C ATOM 265 H ALA A 48 -4.929 14.563 25.479 1.00 0.00 H ATOM 266 N GLU A 49 -5.423 17.229 28.200 1.00 22.40 N ATOM 267 CA GLU A 49 -6.350 18.347 28.029 1.00 21.89 C ATOM 268 C GLU A 49 -6.062 19.214 26.794 1.00 21.64 C ATOM 269 O GLU A 49 -6.988 19.769 26.213 1.00 20.43 O ATOM 270 CB GLU A 49 -6.411 19.204 29.308 1.00 24.17 C ATOM 271 CG GLU A 49 -5.288 20.215 29.496 1.00 31.47 C ATOM 272 CD GLU A 49 -3.911 19.716 29.889 1.00 57.55 C ATOM 273 OE1 GLU A 49 -3.700 18.482 29.971 1.00 57.76 O ATOM 274 OE2 GLU A 49 -3.032 20.578 30.124 1.00 53.11 O ATOM 275 H GLU A 49 -4.867 17.150 29.076 1.00 0.00 H ATOM 276 N GLN A 50 -4.794 19.301 26.382 1.00 19.45 N ATOM 277 CA GLN A 50 -4.402 20.133 25.245 1.00 19.17 C ATOM 278 C GLN A 50 -3.719 19.360 24.096 1.00 23.33 C ATOM 279 O GLN A 50 -3.197 19.994 23.177 1.00 19.91 O ATOM 280 CB GLN A 50 -3.477 21.267 25.733 1.00 20.07 C ATOM 281 CG GLN A 50 -3.791 22.606 25.072 1.00 38.80 C ATOM 282 CD GLN A 50 -2.753 23.669 25.375 1.00 54.95 C ATOM 283 OE1 GLN A 50 -1.838 23.478 26.195 1.00 50.08 O ATOM 284 NE2 GLN A 50 -2.870 24.819 24.705 1.00 39.80 N ATOM 285 HE22 GLN A 50 -3.647 24.948 24.025 1.00 0.00 H ATOM 286 HE21 GLN A 50 -2.184 25.585 24.863 1.00 0.00 H ATOM 287 H GLN A 50 -4.063 18.760 26.886 1.00 0.00 H ATOM 288 N TRP A 51 -3.754 18.007 24.115 1.00 23.03 N ATOM 289 CA TRP A 51 -3.099 17.206 23.067 1.00 22.26 C ATOM 290 C TRP A 51 -3.991 16.127 22.470 1.00 19.70 C ATOM 291 O TRP A 51 -4.662 15.421 23.201 1.00 19.00 O ATOM 292 CB TRP A 51 -1.833 16.541 23.614 1.00 23.14 C ATOM 293 CG TRP A 51 -0.719 17.489 23.929 1.00 25.63 C ATOM 294 CD1 TRP A 51 -0.373 17.980 25.155 1.00 28.92 C ATOM 295 CD2 TRP A 51 0.242 17.997 23.005 1.00 25.80 C ATOM 296 NE1 TRP A 51 0.735 18.795 25.043 1.00 29.27 N ATOM 297 CE2 TRP A 51 1.134 18.817 23.731 1.00 30.56 C ATOM 298 CE3 TRP A 51 0.434 17.847 21.624 1.00 26.65 C ATOM 299 CZ2 TRP A 51 2.204 19.471 23.121 1.00 29.93 C ATOM 300 CZ3 TRP A 51 1.509 18.476 21.029 1.00 28.33 C ATOM 301 CH2 TRP A 51 2.369 19.291 21.772 1.00 28.98 C ATOM 302 HE1 TRP A 51 1.192 19.308 25.824 1.00 0.00 H ATOM 303 H TRP A 51 -4.255 17.522 24.887 1.00 0.00 H ATOM 304 N VAL A 52 -3.961 16.000 21.134 1.00 17.17 N ATOM 305 CA VAL A 52 -4.709 14.979 20.364 1.00 15.01 C ATOM 306 C VAL A 52 -3.689 14.172 19.565 1.00 18.02 C ATOM 307 O VAL A 52 -2.856 14.752 18.884 1.00 16.47 O ATOM 308 CB VAL A 52 -5.820 15.595 19.473 1.00 16.49 C ATOM 309 CG1 VAL A 52 -6.385 14.586 18.467 1.00 16.55 C ATOM 310 CG2 VAL A 52 -6.950 16.154 20.333 1.00 15.36 C ATOM 311 H VAL A 52 -3.369 16.668 20.600 1.00 0.00 H ATOM 312 N LEU A 53 -3.757 12.834 19.644 1.00 14.66 N ATOM 313 CA LEU A 53 -2.876 11.941 18.886 1.00 13.39 C ATOM 314 C LEU A 53 -3.661 11.545 17.644 1.00 14.89 C ATOM 315 O LEU A 53 -4.869 11.318 17.719 1.00 13.27 O ATOM 316 CB LEU A 53 -2.571 10.703 19.730 1.00 13.93 C ATOM 317 CG LEU A 53 -1.511 9.680 19.267 1.00 20.92 C ATOM 318 CD1 LEU A 53 -0.156 10.337 18.991 1.00 21.39 C ATOM 319 CD2 LEU A 53 -1.350 8.580 20.313 1.00 22.91 C ATOM 320 H LEU A 53 -4.469 12.411 20.273 1.00 0.00 H ATOM 321 N SER A 54 -3.004 11.536 16.490 1.00 11.95 N ATOM 322 CA SER A 54 -3.637 11.169 15.216 1.00 10.13 C ATOM 323 C SER A 54 -2.542 10.572 14.303 1.00 14.30 C ATOM 324 O SER A 54 -1.501 10.158 14.811 1.00 13.64 O ATOM 325 CB SER A 54 -4.336 12.390 14.592 1.00 10.34 C ATOM 326 OG SER A 54 -5.089 12.108 13.421 1.00 13.91 O ATOM 327 HG SER A 54 -5.797 11.451 13.636 1.00 0.00 H ATOM 328 H SER A 54 -1.998 11.800 16.488 1.00 0.00 H ATOM 329 N ALA A 55 -2.800 10.483 13.002 1.00 12.46 N ATOM 330 CA ALA A 55 -1.896 9.907 12.016 1.00 11.65 C ATOM 331 C ALA A 55 -1.274 11.015 11.176 1.00 16.94 C ATOM 332 O ALA A 55 -1.980 11.911 10.698 1.00 14.40 O ATOM 333 CB ALA A 55 -2.657 8.922 11.117 1.00 11.60 C ATOM 334 H ALA A 55 -3.712 10.851 12.664 1.00 0.00 H ATOM 335 N ALA A 56 0.043 10.967 11.023 1.00 14.91 N ATOM 336 CA ALA A 56 0.805 11.989 10.292 1.00 15.36 C ATOM 337 C ALA A 56 0.358 12.160 8.853 1.00 15.84 C ATOM 338 O ALA A 56 0.298 13.281 8.385 1.00 15.88 O ATOM 339 CB ALA A 56 2.281 11.649 10.338 1.00 16.25 C ATOM 340 H ALA A 56 0.561 10.168 11.440 1.00 0.00 H ATOM 341 N HIS A 57 -0.031 11.059 8.163 1.00 13.07 N ATOM 342 CA HIS A 57 -0.421 11.174 6.757 1.00 13.20 C ATOM 343 C HIS A 57 -1.690 11.978 6.549 1.00 16.82 C ATOM 344 O HIS A 57 -1.984 12.367 5.417 1.00 17.55 O ATOM 345 CB HIS A 57 -0.507 9.799 6.058 1.00 14.56 C ATOM 346 CG HIS A 57 -1.789 9.076 6.307 1.00 17.15 C ATOM 347 ND1 HIS A 57 -1.863 8.077 7.252 1.00 18.60 N ATOM 348 CD2 HIS A 57 -3.005 9.220 5.724 1.00 18.04 C ATOM 349 CE1 HIS A 57 -3.107 7.640 7.230 1.00 17.70 C ATOM 350 NE2 HIS A 57 -3.834 8.288 6.318 1.00 17.21 N ATOM 351 H HIS A 57 -0.052 10.132 8.634 1.00 0.00 H ATOM 352 N CYS A 58 -2.466 12.207 7.622 1.00 14.28 N ATOM 353 CA CYS A 58 -3.695 12.973 7.543 1.00 14.61 C ATOM 354 C CYS A 58 -3.445 14.385 7.068 1.00 21.49 C ATOM 355 O CYS A 58 -4.314 14.957 6.420 1.00 21.91 O ATOM 356 CB CYS A 58 -4.396 12.971 8.887 1.00 14.00 C ATOM 357 SG CYS A 58 -4.959 11.340 9.395 1.00 17.98 S ATOM 358 H CYS A 58 -2.175 11.821 8.543 1.00 0.00 H ATOM 359 N LEU A 59 -2.271 14.944 7.378 1.00 21.51 N ATOM 360 CA LEU A 59 -2.041 16.342 7.001 1.00 24.30 C ATOM 361 C LEU A 59 -1.488 16.520 5.562 1.00 32.21 C ATOM 362 O LEU A 59 -1.070 17.626 5.199 1.00 31.53 O ATOM 363 CB LEU A 59 -1.238 17.096 8.068 1.00 24.68 C ATOM 364 CG LEU A 59 -1.990 17.252 9.418 1.00 30.94 C ATOM 365 CD1 LEU A 59 -1.263 18.153 10.324 1.00 32.07 C ATOM 366 CD2 LEU A 59 -3.434 17.763 9.254 1.00 32.99 C ATOM 367 H LEU A 59 -1.538 14.400 7.875 1.00 0.00 H ATOM 368 N GLU A 60 -1.668 15.470 4.691 1.00 30.20 N ATOM 369 CA GLU A 60 -1.380 15.499 3.241 1.00 31.32 C ATOM 370 C GLU A 60 -2.426 16.357 2.529 1.00 38.68 C ATOM 371 O GLU A 60 -2.130 16.969 1.506 1.00 37.93 O ATOM 372 CB GLU A 60 -1.550 14.105 2.627 1.00 32.04 C ATOM 373 CG GLU A 60 -0.355 13.206 2.762 1.00 35.68 C ATOM 374 CD GLU A 60 -0.628 11.795 2.292 1.00 34.64 C ATOM 375 OE1 GLU A 60 -1.468 11.597 1.382 1.00 23.51 O ATOM 376 OE2 GLU A 60 0.053 10.885 2.803 1.00 33.31 O ATOM 377 H GLU A 60 -2.038 14.582 5.086 1.00 0.00 H ATOM 378 N ASP A 61 -3.688 16.284 3.000 1.00 38.03 N ATOM 379 CA ASP A 61 -4.782 17.019 2.388 1.00 39.09 C ATOM 380 C ASP A 61 -4.861 18.470 2.885 1.00 46.31 C ATOM 381 O ASP A 61 -5.516 19.287 2.239 1.00 46.44 O ATOM 382 CB ASP A 61 -6.113 16.253 2.565 1.00 40.52 C ATOM 383 CG ASP A 61 -6.159 14.873 1.912 1.00 48.13 C ATOM 384 OD1 ASP A 61 -5.088 14.364 1.506 1.00 48.66 O ATOM 385 OD2 ASP A 61 -7.261 14.306 1.803 1.00 50.89 O ATOM 386 H ASP A 61 -3.884 15.683 3.826 1.00 0.00 H ATOM 387 N ALA A 61A -4.141 18.794 3.985 1.00 45.84 N ATOM 388 CA ALA A 61A -4.128 20.099 4.655 1.00 47.60 C ATOM 389 C ALA A 61A -3.661 21.293 3.793 1.00 56.35 C ATOM 390 O ALA A 61A -4.448 22.228 3.592 1.00 56.85 O ATOM 391 CB ALA A 61A -3.309 20.024 5.935 1.00 48.39 C ATOM 392 H ALA A 61A -3.541 18.048 4.393 1.00 0.00 H ATOM 393 N ALA A 61B -2.392 21.261 3.299 1.00 54.59 N ATOM 394 CA ALA A 61B -1.734 22.310 2.506 1.00 55.33 C ATOM 395 C ALA A 61B -1.782 23.675 3.220 1.00 60.86 C ATOM 396 O ALA A 61B -0.948 23.920 4.096 1.00 60.76 O ATOM 397 CB ALA A 61B -2.317 22.390 1.095 1.00 56.32 C ATOM 398 H ALA A 61B -1.832 20.409 3.503 1.00 0.00 H ATOM 399 N ASP A 61C -2.766 24.539 2.879 1.00 57.90 N ATOM 400 CA ASP A 61C -2.938 25.852 3.502 1.00 57.50 C ATOM 401 C ASP A 61C -4.426 26.131 3.877 1.00 59.05 C ATOM 402 O ASP A 61C -5.068 27.024 3.317 1.00 58.55 O ATOM 403 CB ASP A 61C -2.307 26.963 2.636 1.00 59.72 C ATOM 404 CG ASP A 61C -0.784 26.938 2.614 1.00 74.32 C ATOM 405 OD1 ASP A 61C -0.212 26.086 1.897 1.00 75.10 O ATOM 406 OD2 ASP A 61C -0.166 27.781 3.303 1.00 82.37 O ATOM 407 H ASP A 61C -3.435 24.255 2.135 1.00 0.00 H ATOM 408 N GLY A 62 -4.941 25.335 4.819 1.00 53.58 N ATOM 409 CA GLY A 62 -6.294 25.441 5.371 1.00 52.24 C ATOM 410 C GLY A 62 -6.276 25.331 6.887 1.00 52.22 C ATOM 411 O GLY A 62 -5.298 24.809 7.431 1.00 52.98 O ATOM 412 H GLY A 62 -4.332 24.579 5.191 1.00 0.00 H ATOM 413 N LYS A 63 -7.333 25.828 7.597 1.00 44.94 N ATOM 414 CA LYS A 63 -7.374 25.772 9.065 1.00 43.03 C ATOM 415 C LYS A 63 -7.597 24.341 9.544 1.00 41.98 C ATOM 416 O LYS A 63 -8.641 23.744 9.289 1.00 40.89 O ATOM 417 CB LYS A 63 -8.405 26.751 9.689 1.00 45.95 C ATOM 418 CG LYS A 63 -8.032 27.266 11.097 1.00 57.41 C ATOM 419 CD LYS A 63 -7.218 28.553 11.055 1.00 65.76 C ATOM 420 CE LYS A 63 -6.720 28.961 12.423 1.00 76.87 C ATOM 421 NZ LYS A 63 -7.773 29.639 13.221 1.00 84.99 N ATOM 422 HZ1 LYS A 63 -8.088 30.495 12.721 1.00 0.00 H ATOM 423 HZ2 LYS A 63 -8.579 28.994 13.348 1.00 0.00 H ATOM 424 HZ3 LYS A 63 -7.387 29.901 14.151 1.00 0.00 H ATOM 425 H LYS A 63 -8.130 26.257 7.085 1.00 0.00 H ATOM 426 N VAL A 64 -6.570 23.783 10.172 1.00 35.86 N ATOM 427 CA VAL A 64 -6.606 22.449 10.765 1.00 34.02 C ATOM 428 C VAL A 64 -7.171 22.659 12.169 1.00 31.37 C ATOM 429 O VAL A 64 -6.645 23.456 12.963 1.00 30.66 O ATOM 430 CB VAL A 64 -5.221 21.759 10.769 1.00 38.92 C ATOM 431 CG1 VAL A 64 -5.261 20.454 11.554 1.00 38.86 C ATOM 432 CG2 VAL A 64 -4.749 21.497 9.339 1.00 39.17 C ATOM 433 H VAL A 64 -5.687 24.328 10.246 1.00 0.00 H ATOM 434 N GLN A 65 -8.290 21.987 12.438 1.00 24.96 N ATOM 435 CA GLN A 65 -9.008 22.116 13.709 1.00 22.75 C ATOM 436 C GLN A 65 -9.370 20.739 14.260 1.00 23.79 C ATOM 437 O GLN A 65 -9.293 19.743 13.535 1.00 21.36 O ATOM 438 CB GLN A 65 -10.275 22.957 13.505 1.00 23.93 C ATOM 439 CG GLN A 65 -9.966 24.371 12.984 1.00 39.20 C ATOM 440 CD GLN A 65 -11.196 25.175 12.715 1.00 59.31 C ATOM 441 OE1 GLN A 65 -12.004 24.854 11.850 1.00 56.37 O ATOM 442 NE2 GLN A 65 -11.364 26.255 13.454 1.00 56.48 N ATOM 443 HE22 GLN A 65 -10.662 26.502 14.180 1.00 0.00 H ATOM 444 HE21 GLN A 65 -12.198 26.859 13.310 1.00 0.00 H ATOM 445 H GLN A 65 -8.670 21.343 11.715 1.00 0.00 H ATOM 446 N VAL A 66 -9.722 20.673 15.551 1.00 18.81 N ATOM 447 CA VAL A 66 -10.090 19.389 16.147 1.00 16.77 C ATOM 448 C VAL A 66 -11.458 19.554 16.809 1.00 18.05 C ATOM 449 O VAL A 66 -11.620 20.439 17.645 1.00 18.83 O ATOM 450 CB VAL A 66 -9.026 18.887 17.165 1.00 20.44 C ATOM 451 CG1 VAL A 66 -9.498 17.615 17.874 1.00 19.83 C ATOM 452 CG2 VAL A 66 -7.666 18.659 16.491 1.00 20.17 C ATOM 453 H VAL A 66 -9.734 21.536 16.131 1.00 0.00 H ATOM 454 N LEU A 67 -12.413 18.697 16.452 1.00 14.67 N ATOM 455 CA LEU A 67 -13.744 18.698 17.043 1.00 14.85 C ATOM 456 C LEU A 67 -13.811 17.659 18.170 1.00 18.94 C ATOM 457 O LEU A 67 -13.620 16.459 17.929 1.00 16.63 O ATOM 458 CB LEU A 67 -14.812 18.400 15.966 1.00 14.36 C ATOM 459 CG LEU A 67 -16.258 18.287 16.447 1.00 20.80 C ATOM 460 CD1 LEU A 67 -16.784 19.619 16.999 1.00 21.34 C ATOM 461 CD2 LEU A 67 -17.142 17.744 15.361 1.00 23.65 C ATOM 462 H LEU A 67 -12.198 17.994 15.716 1.00 0.00 H ATOM 463 N LEU A 68 -14.116 18.120 19.385 1.00 16.51 N ATOM 464 CA LEU A 68 -14.264 17.268 20.578 1.00 15.33 C ATOM 465 C LEU A 68 -15.713 17.271 21.050 1.00 18.75 C ATOM 466 O LEU A 68 -16.484 18.165 20.665 1.00 18.85 O ATOM 467 CB LEU A 68 -13.361 17.758 21.716 1.00 14.69 C ATOM 468 CG LEU A 68 -11.840 17.809 21.456 1.00 17.65 C ATOM 469 CD1 LEU A 68 -11.105 18.263 22.710 1.00 17.96 C ATOM 470 CD2 LEU A 68 -11.262 16.461 20.987 1.00 18.59 C ATOM 471 H LEU A 68 -14.258 19.144 19.497 1.00 0.00 H ATOM 472 N GLY A 69 -16.088 16.240 21.812 1.00 12.94 N ATOM 473 CA GLY A 69 -17.420 16.098 22.371 1.00 14.39 C ATOM 474 C GLY A 69 -18.493 15.752 21.366 1.00 18.48 C ATOM 475 O GLY A 69 -19.676 15.846 21.695 1.00 18.81 O ATOM 476 H GLY A 69 -15.388 15.499 22.016 1.00 0.00 H ATOM 477 N ALA A 70 -18.105 15.293 20.158 1.00 14.12 N ATOM 478 CA ALA A 70 -19.069 14.950 19.118 1.00 14.62 C ATOM 479 C ALA A 70 -19.490 13.486 19.038 1.00 19.45 C ATOM 480 O ALA A 70 -18.691 12.562 19.244 1.00 17.46 O ATOM 481 CB ALA A 70 -18.547 15.404 17.753 1.00 15.51 C ATOM 482 H ALA A 70 -17.090 15.180 19.963 1.00 0.00 H ATOM 483 N HIS A 71 -20.767 13.282 18.763 1.00 17.19 N ATOM 484 CA HIS A 71 -21.325 11.994 18.379 1.00 17.91 C ATOM 485 C HIS A 71 -21.553 12.111 16.884 1.00 21.61 C ATOM 486 O HIS A 71 -21.004 11.332 16.102 1.00 20.06 O ATOM 487 CB HIS A 71 -22.628 11.618 19.103 1.00 18.63 C ATOM 488 CG HIS A 71 -23.187 10.323 18.597 1.00 21.28 C ATOM 489 ND1 HIS A 71 -22.459 9.144 18.673 1.00 22.77 N ATOM 490 CD2 HIS A 71 -24.364 10.065 17.981 1.00 22.71 C ATOM 491 CE1 HIS A 71 -23.225 8.212 18.132 1.00 21.32 C ATOM 492 NE2 HIS A 71 -24.376 8.719 17.698 1.00 22.13 N ATOM 493 H HIS A 71 -21.414 14.094 18.825 1.00 0.00 H ATOM 494 N SER A 72 -22.365 13.101 16.503 1.00 17.97 N ATOM 495 CA SER A 72 -22.706 13.472 15.142 1.00 18.65 C ATOM 496 C SER A 72 -21.764 14.553 14.647 1.00 21.79 C ATOM 497 O SER A 72 -21.470 15.496 15.390 1.00 22.21 O ATOM 498 CB SER A 72 -24.108 14.067 15.140 1.00 19.90 C ATOM 499 OG SER A 72 -24.335 14.812 13.967 1.00 30.49 O ATOM 500 HG SER A 72 -24.238 14.221 13.178 1.00 0.00 H ATOM 501 H SER A 72 -22.798 13.665 17.262 1.00 0.00 H ATOM 502 N LEU A 73 -21.378 14.493 13.371 1.00 17.56 N ATOM 503 CA LEU A 73 -20.552 15.584 12.853 1.00 18.10 C ATOM 504 C LEU A 73 -21.365 16.859 12.595 1.00 26.27 C ATOM 505 O LEU A 73 -20.879 17.974 12.866 1.00 25.83 O ATOM 506 CB LEU A 73 -19.838 15.174 11.563 1.00 18.19 C ATOM 507 CG LEU A 73 -18.732 14.122 11.724 1.00 22.93 C ATOM 508 CD1 LEU A 73 -18.305 13.627 10.353 1.00 22.96 C ATOM 509 CD2 LEU A 73 -17.532 14.651 12.530 1.00 23.17 C ATOM 510 H LEU A 73 -21.656 13.696 12.764 1.00 0.00 H ATOM 511 N SER A 74 -22.604 16.694 12.118 1.00 24.04 N ATOM 512 CA SER A 74 -23.424 17.847 11.750 1.00 24.87 C ATOM 513 C SER A 74 -24.503 18.295 12.784 1.00 29.92 C ATOM 514 O SER A 74 -24.824 19.496 12.821 1.00 30.29 O ATOM 515 CB SER A 74 -24.062 17.616 10.383 1.00 29.49 C ATOM 516 OG SER A 74 -24.951 16.513 10.393 1.00 43.50 O ATOM 517 HG SER A 74 -24.456 15.694 10.647 1.00 0.00 H ATOM 518 H SER A 74 -22.988 15.734 12.008 1.00 0.00 H ATOM 519 N GLN A 75 -25.044 17.387 13.608 1.00 23.18 N ATOM 520 CA GLN A 75 -26.100 17.778 14.554 1.00 22.55 C ATOM 521 C GLN A 75 -25.602 18.609 15.741 1.00 24.87 C ATOM 522 O GLN A 75 -24.569 18.300 16.324 1.00 25.25 O ATOM 523 CB GLN A 75 -26.946 16.583 15.032 1.00 24.61 C ATOM 524 CG GLN A 75 -27.948 16.089 13.969 1.00 45.09 C ATOM 525 CD GLN A 75 -28.851 17.133 13.347 1.00 62.08 C ATOM 526 OE1 GLN A 75 -28.559 17.681 12.278 1.00 54.74 O ATOM 527 NE2 GLN A 75 -29.980 17.408 13.985 1.00 55.62 N ATOM 528 HE22 GLN A 75 -30.199 16.931 14.883 1.00 0.00 H ATOM 529 HE21 GLN A 75 -30.646 18.100 13.588 1.00 0.00 H ATOM 530 H GLN A 75 -24.715 16.401 13.578 1.00 0.00 H ATOM 531 N PRO A 76 -26.340 19.687 16.078 1.00 20.77 N ATOM 532 CA PRO A 76 -25.962 20.537 17.222 1.00 20.38 C ATOM 533 C PRO A 76 -26.017 19.767 18.542 1.00 26.31 C ATOM 534 O PRO A 76 -27.083 19.392 18.990 1.00 29.48 O ATOM 535 CB PRO A 76 -27.052 21.629 17.224 1.00 21.77 C ATOM 536 CG PRO A 76 -27.676 21.585 15.921 1.00 25.81 C ATOM 537 CD PRO A 76 -27.593 20.164 15.461 1.00 21.93 C ATOM 538 N GLU A 77 -24.866 19.501 19.137 1.00 21.98 N ATOM 539 CA GLU A 77 -24.790 18.794 20.422 1.00 21.94 C ATOM 540 C GLU A 77 -24.183 19.701 21.443 1.00 23.83 C ATOM 541 O GLU A 77 -23.133 20.275 21.170 1.00 21.59 O ATOM 542 CB GLU A 77 -23.987 17.481 20.313 1.00 23.20 C ATOM 543 CG GLU A 77 -24.616 16.470 19.372 1.00 25.55 C ATOM 544 CD GLU A 77 -23.695 15.363 18.890 1.00 34.47 C ATOM 545 OE1 GLU A 77 -22.513 15.345 19.297 1.00 26.19 O ATOM 546 OE2 GLU A 77 -24.159 14.516 18.096 1.00 25.95 O ATOM 547 H GLU A 77 -23.983 19.803 18.678 1.00 0.00 H ATOM 548 N PRO A 78 -24.774 19.817 22.659 1.00 22.54 N ATOM 549 CA PRO A 78 -24.216 20.751 23.655 1.00 22.06 C ATOM 550 C PRO A 78 -22.763 20.548 24.042 1.00 22.35 C ATOM 551 O PRO A 78 -22.081 21.503 24.404 1.00 20.98 O ATOM 552 CB PRO A 78 -25.139 20.592 24.861 1.00 24.79 C ATOM 553 CG PRO A 78 -26.419 20.078 24.289 1.00 31.42 C ATOM 554 CD PRO A 78 -26.026 19.195 23.142 1.00 26.87 C ATOM 555 N SER A 79 -22.283 19.296 23.970 1.00 17.52 N ATOM 556 CA SER A 79 -20.921 18.966 24.360 1.00 17.19 C ATOM 557 C SER A 79 -19.873 19.281 23.274 1.00 21.23 C ATOM 558 O SER A 79 -18.669 19.277 23.561 1.00 23.51 O ATOM 559 CB SER A 79 -20.870 17.488 24.726 1.00 16.19 C ATOM 560 OG SER A 79 -21.338 16.708 23.634 1.00 15.21 O ATOM 561 HG SER A 79 -20.764 16.871 22.844 1.00 0.00 H ATOM 562 H SER A 79 -22.905 18.538 23.624 1.00 0.00 H ATOM 563 N LYS A 80 -20.312 19.556 22.052 1.00 15.42 N ATOM 564 CA LYS A 80 -19.409 19.860 20.937 1.00 17.62 C ATOM 565 C LYS A 80 -18.587 21.105 21.135 1.00 27.37 C ATOM 566 O LYS A 80 -19.113 22.170 21.486 1.00 26.74 O ATOM 567 CB LYS A 80 -20.140 19.929 19.604 1.00 20.29 C ATOM 568 CG LYS A 80 -20.481 18.567 19.040 1.00 24.44 C ATOM 569 CD LYS A 80 -21.467 18.691 17.903 1.00 32.61 C ATOM 570 CE LYS A 80 -20.861 18.249 16.614 1.00 30.48 C ATOM 571 NZ LYS A 80 -21.868 18.226 15.517 1.00 24.03 N ATOM 572 HZ1 LYS A 80 -22.634 17.567 15.765 1.00 0.00 H ATOM 573 HZ2 LYS A 80 -22.259 19.181 15.387 1.00 0.00 H ATOM 574 HZ3 LYS A 80 -21.412 17.914 14.636 1.00 0.00 H ATOM 575 H LYS A 80 -21.337 19.556 21.878 1.00 0.00 H ATOM 576 N ARG A 81 -17.275 20.965 20.926 1.00 25.16 N ATOM 577 CA ARG A 81 -16.343 22.076 21.038 1.00 26.25 C ATOM 578 C ARG A 81 -15.277 21.957 19.954 1.00 29.58 C ATOM 579 O ARG A 81 -14.717 20.885 19.759 1.00 28.54 O ATOM 580 CB ARG A 81 -15.715 22.128 22.436 1.00 30.64 C ATOM 581 CG ARG A 81 -14.905 23.379 22.660 1.00 51.56 C ATOM 582 CD ARG A 81 -15.654 24.436 23.401 1.00 71.91 C ATOM 583 NE ARG A 81 -14.845 25.642 23.530 1.00 87.12 N ATOM 584 CZ ARG A 81 -15.223 26.706 24.231 1.00104.51 C ATOM 585 NH1 ARG A 81 -16.377 26.702 24.890 1.00 94.03 N ATOM 586 NH2 ARG A 81 -14.444 27.775 24.293 1.00 91.10 N ATOM 587 HE ARG A 81 -13.924 25.671 23.048 1.00 0.00 H ATOM 588 HH12 ARG A 81 -16.667 27.538 25.437 1.00 0.00 H ATOM 589 HH11 ARG A 81 -16.991 25.863 24.859 1.00 0.00 H ATOM 590 HH22 ARG A 81 -14.744 28.606 24.843 1.00 0.00 H ATOM 591 HH21 ARG A 81 -13.533 27.784 23.792 1.00 0.00 H ATOM 592 H ARG A 81 -16.906 20.026 20.674 1.00 0.00 H ATOM 593 N LEU A 82 -15.016 23.054 19.250 1.00 28.91 N ATOM 594 CA LEU A 82 -14.009 23.116 18.194 1.00 28.59 C ATOM 595 C LEU A 82 -12.801 23.907 18.687 1.00 33.50 C ATOM 596 O LEU A 82 -12.940 25.038 19.179 1.00 33.22 O ATOM 597 CB LEU A 82 -14.605 23.744 16.917 1.00 28.62 C ATOM 598 CG LEU A 82 -13.743 23.682 15.645 1.00 32.85 C ATOM 599 CD1 LEU A 82 -13.697 22.266 15.093 1.00 32.42 C ATOM 600 CD2 LEU A 82 -14.254 24.660 14.582 1.00 34.55 C ATOM 601 H LEU A 82 -15.559 23.915 19.463 1.00 0.00 H ATOM 602 N TYR A 83 -11.617 23.300 18.566 1.00 28.67 N ATOM 603 CA TYR A 83 -10.356 23.906 18.947 1.00 29.19 C ATOM 604 C TYR A 83 -9.466 24.064 17.729 1.00 34.00 C ATOM 605 O TYR A 83 -9.444 23.199 16.853 1.00 31.71 O ATOM 606 CB TYR A 83 -9.632 23.043 19.988 1.00 31.12 C ATOM 607 CG TYR A 83 -10.384 22.907 21.291 1.00 33.45 C ATOM 608 CD1 TYR A 83 -11.320 21.900 21.474 1.00 35.30 C ATOM 609 CD2 TYR A 83 -10.166 23.790 22.341 1.00 34.64 C ATOM 610 CE1 TYR A 83 -12.014 21.766 22.676 1.00 36.25 C ATOM 611 CE2 TYR A 83 -10.852 23.662 23.553 1.00 35.32 C ATOM 612 CZ TYR A 83 -11.776 22.647 23.717 1.00 41.87 C ATOM 613 OH TYR A 83 -12.493 22.539 24.893 1.00 39.40 O ATOM 614 HH TYR A 83 -13.103 21.762 24.836 1.00 0.00 H ATOM 615 H TYR A 83 -11.599 22.336 18.176 1.00 0.00 H ATOM 616 N ASP A 84 -8.701 25.154 17.685 1.00 32.34 N ATOM 617 CA ASP A 84 -7.723 25.344 16.622 1.00 32.12 C ATOM 618 C ASP A 84 -6.480 24.584 17.039 1.00 34.54 C ATOM 619 O ASP A 84 -6.308 24.274 18.222 1.00 34.19 O ATOM 620 CB ASP A 84 -7.381 26.832 16.428 1.00 34.76 C ATOM 621 CG ASP A 84 -8.407 27.633 15.666 1.00 49.77 C ATOM 622 OD1 ASP A 84 -8.998 27.089 14.710 1.00 51.31 O ATOM 623 OD2 ASP A 84 -8.601 28.814 16.005 1.00 60.87 O ATOM 624 H ASP A 84 -8.804 25.881 18.422 1.00 0.00 H ATOM 625 N VAL A 85 -5.635 24.247 16.066 1.00 29.42 N ATOM 626 CA VAL A 85 -4.385 23.570 16.333 1.00 28.34 C ATOM 627 C VAL A 85 -3.263 24.626 16.324 1.00 33.26 C ATOM 628 O VAL A 85 -3.110 25.369 15.351 1.00 32.66 O ATOM 629 CB VAL A 85 -4.145 22.396 15.354 1.00 30.78 C ATOM 630 CG1 VAL A 85 -2.724 21.861 15.475 1.00 30.31 C ATOM 631 CG2 VAL A 85 -5.167 21.281 15.600 1.00 30.37 C ATOM 632 H VAL A 85 -5.882 24.478 15.083 1.00 0.00 H ATOM 633 N LEU A 86 -2.522 24.696 17.425 1.00 29.55 N ATOM 634 CA LEU A 86 -1.388 25.598 17.645 1.00 29.55 C ATOM 635 C LEU A 86 -0.111 24.990 17.097 1.00 34.84 C ATOM 636 O LEU A 86 0.846 25.710 16.794 1.00 34.61 O ATOM 637 CB LEU A 86 -1.212 25.752 19.166 1.00 29.70 C ATOM 638 CG LEU A 86 -1.365 27.116 19.839 1.00 35.19 C ATOM 639 CD1 LEU A 86 -2.467 27.986 19.193 1.00 34.84 C ATOM 640 CD2 LEU A 86 -1.609 26.936 21.332 1.00 36.59 C ATOM 641 H LEU A 86 -2.770 24.051 18.202 1.00 0.00 H ATOM 642 N ARG A 87 -0.056 23.647 17.056 1.00 29.92 N ATOM 643 CA ARG A 87 1.144 22.915 16.689 1.00 29.13 C ATOM 644 C ARG A 87 0.805 21.501 16.219 1.00 31.53 C ATOM 645 O ARG A 87 0.103 20.772 16.922 1.00 29.12 O ATOM 646 CB ARG A 87 2.013 22.777 17.944 1.00 28.23 C ATOM 647 CG ARG A 87 3.437 23.173 17.770 1.00 37.78 C ATOM 648 CD ARG A 87 4.326 22.271 18.570 1.00 46.25 C ATOM 649 NE ARG A 87 4.075 22.336 20.008 1.00 56.13 N ATOM 650 CZ ARG A 87 4.794 21.676 20.908 1.00 80.02 C ATOM 651 NH1 ARG A 87 5.818 20.917 20.525 1.00 67.35 N ATOM 652 NH2 ARG A 87 4.498 21.767 22.198 1.00 73.14 N ATOM 653 HE ARG A 87 3.291 22.931 20.344 1.00 0.00 H ATOM 654 HH12 ARG A 87 6.378 20.402 21.234 1.00 0.00 H ATOM 655 HH11 ARG A 87 6.058 20.839 19.516 1.00 0.00 H ATOM 656 HH22 ARG A 87 5.064 21.248 22.899 1.00 0.00 H ATOM 657 HH21 ARG A 87 3.700 22.357 22.508 1.00 0.00 H ATOM 658 H ARG A 87 -0.912 23.108 17.298 1.00 0.00 H ATOM 659 N ALA A 88 1.359 21.110 15.062 1.00 28.52 N ATOM 660 CA ALA A 88 1.220 19.770 14.502 1.00 27.38 C ATOM 661 C ALA A 88 2.617 19.174 14.546 1.00 30.62 C ATOM 662 O ALA A 88 3.559 19.736 13.962 1.00 30.89 O ATOM 663 CB ALA A 88 0.708 19.848 13.074 1.00 28.34 C ATOM 664 H ALA A 88 1.922 21.805 14.531 1.00 0.00 H ATOM 665 N VAL A 89 2.780 18.106 15.337 1.00 23.60 N ATOM 666 CA VAL A 89 4.058 17.438 15.530 1.00 23.44 C ATOM 667 C VAL A 89 3.994 16.029 14.901 1.00 25.41 C ATOM 668 O VAL A 89 3.644 15.062 15.587 1.00 24.21 O ATOM 669 CB VAL A 89 4.503 17.385 17.024 1.00 28.51 C ATOM 670 CG1 VAL A 89 5.947 16.922 17.144 1.00 28.64 C ATOM 671 CG2 VAL A 89 4.303 18.726 17.730 1.00 29.12 C ATOM 672 H VAL A 89 1.949 17.734 15.840 1.00 0.00 H ATOM 673 N PRO A 90 4.315 15.889 13.595 1.00 22.60 N ATOM 674 CA PRO A 90 4.315 14.554 12.992 1.00 21.48 C ATOM 675 C PRO A 90 5.559 13.819 13.464 1.00 26.66 C ATOM 676 O PRO A 90 6.556 14.474 13.786 1.00 25.97 O ATOM 677 CB PRO A 90 4.396 14.836 11.481 1.00 23.76 C ATOM 678 CG PRO A 90 4.314 16.325 11.315 1.00 29.68 C ATOM 679 CD PRO A 90 4.745 16.912 12.618 1.00 26.09 C ATOM 680 N HIS A 91 5.525 12.484 13.512 1.00 24.54 N ATOM 681 CA HIS A 91 6.727 11.744 13.892 1.00 25.59 C ATOM 682 C HIS A 91 7.809 12.061 12.845 1.00 35.11 C ATOM 683 O HIS A 91 7.483 12.157 11.656 1.00 34.07 O ATOM 684 CB HIS A 91 6.485 10.239 14.017 1.00 25.59 C ATOM 685 CG HIS A 91 7.660 9.516 14.603 1.00 28.48 C ATOM 686 ND1 HIS A 91 8.738 9.140 13.819 1.00 29.91 N ATOM 687 CD2 HIS A 91 7.932 9.211 15.892 1.00 29.07 C ATOM 688 CE1 HIS A 91 9.609 8.589 14.654 1.00 28.61 C ATOM 689 NE2 HIS A 91 9.159 8.593 15.903 1.00 28.56 N ATOM 690 H HIS A 91 4.648 11.974 13.280 1.00 0.00 H ATOM 691 N PRO A 92 9.072 12.312 13.272 1.00 35.10 N ATOM 692 CA PRO A 92 10.120 12.689 12.300 1.00 35.60 C ATOM 693 C PRO A 92 10.255 11.813 11.061 1.00 39.00 C ATOM 694 O PRO A 92 10.484 12.343 9.967 1.00 38.55 O ATOM 695 CB PRO A 92 11.401 12.641 13.127 1.00 37.85 C ATOM 696 CG PRO A 92 10.967 12.832 14.517 1.00 41.75 C ATOM 697 CD PRO A 92 9.597 12.287 14.655 1.00 36.74 C ATOM 698 N ASP A 93 10.061 10.498 11.214 1.00 35.42 N ATOM 699 CA ASP A 93 10.198 9.501 10.152 1.00 35.15 C ATOM 700 C ASP A 93 8.888 9.140 9.501 1.00 40.64 C ATOM 701 O ASP A 93 8.776 8.079 8.874 1.00 40.11 O ATOM 702 CB ASP A 93 10.897 8.252 10.689 1.00 36.55 C ATOM 703 CG ASP A 93 12.133 8.602 11.469 1.00 42.28 C ATOM 704 OD1 ASP A 93 11.991 9.164 12.574 1.00 42.17 O ATOM 705 OD2 ASP A 93 13.241 8.321 10.979 1.00 46.15 O ATOM 706 H ASP A 93 9.792 10.159 12.160 1.00 0.00 H ATOM 707 N SER A 94 7.901 10.036 9.605 1.00 38.24 N ATOM 708 CA SER A 94 6.616 9.814 8.967 1.00 40.18 C ATOM 709 C SER A 94 6.729 10.188 7.480 1.00 51.81 C ATOM 710 O SER A 94 6.130 11.165 7.018 1.00 52.49 O ATOM 711 CB SER A 94 5.502 10.570 9.679 1.00 40.46 C ATOM 712 OG SER A 94 5.657 11.975 9.596 1.00 40.49 O ATOM 713 HG SER A 94 6.516 12.236 10.012 1.00 0.00 H ATOM 714 H SER A 94 8.056 10.907 10.152 1.00 0.00 H ATOM 715 N GLN A 95 7.549 9.415 6.750 1.00 53.28 N ATOM 716 CA GLN A 95 7.765 9.564 5.319 1.00 55.23 C ATOM 717 C GLN A 95 6.493 9.049 4.671 1.00 62.10 C ATOM 718 O GLN A 95 5.985 8.004 5.091 1.00 61.96 O ATOM 719 CB GLN A 95 8.994 8.765 4.856 1.00 56.91 C ATOM 720 CG GLN A 95 10.259 9.610 4.699 1.00 78.11 C ATOM 721 CD GLN A 95 10.905 9.997 6.012 1.00106.80 C ATOM 722 OE1 GLN A 95 10.841 11.153 6.445 1.00105.49 O ATOM 723 NE2 GLN A 95 11.552 9.044 6.669 1.00 98.74 N ATOM 724 HE22 GLN A 95 11.590 8.079 6.282 1.00 0.00 H ATOM 725 HE21 GLN A 95 12.021 9.261 7.571 1.00 0.00 H ATOM 726 H GLN A 95 8.065 8.658 7.241 1.00 0.00 H ATOM 727 N PRO A 96 5.886 9.815 3.744 1.00 60.44 N ATOM 728 CA PRO A 96 4.607 9.376 3.172 1.00 60.94 C ATOM 729 C PRO A 96 4.656 8.011 2.499 1.00 67.13 C ATOM 730 O PRO A 96 5.689 7.620 1.942 1.00 67.02 O ATOM 731 CB PRO A 96 4.248 10.495 2.200 1.00 62.53 C ATOM 732 CG PRO A 96 5.062 11.674 2.623 1.00 66.90 C ATOM 733 CD PRO A 96 6.319 11.108 3.178 1.00 62.36 C ATOM 734 N ASP A 97 3.525 7.274 2.581 1.00 64.90 N ATOM 735 CA ASP A 97 3.289 5.931 2.014 1.00 65.42 C ATOM 736 C ASP A 97 4.125 4.829 2.673 1.00 68.94 C ATOM 737 O ASP A 97 3.966 3.659 2.327 1.00 69.19 O ATOM 738 CB ASP A 97 3.428 5.901 0.493 1.00 67.81 C ATOM 739 CG ASP A 97 2.996 7.207 -0.118 1.00 81.92 C ATOM 740 OD1 ASP A 97 1.769 7.439 -0.234 1.00 82.69 O ATOM 741 OD2 ASP A 97 3.875 8.022 -0.427 1.00 88.71 O ATOM 742 H ASP A 97 2.733 7.701 3.102 1.00 0.00 H ATOM 743 N THR A 98 4.981 5.186 3.641 1.00 64.34 N ATOM 744 CA THR A 98 5.702 4.196 4.430 1.00 63.44 C ATOM 745 C THR A 98 4.813 4.042 5.661 1.00 63.78 C ATOM 746 O THR A 98 4.568 5.021 6.377 1.00 63.78 O ATOM 747 CB THR A 98 7.161 4.591 4.728 1.00 76.91 C ATOM 748 OG1 THR A 98 7.207 5.688 5.641 1.00 78.40 O ATOM 749 CG2 THR A 98 7.967 4.895 3.458 1.00 77.21 C ATOM 750 HG1 THR A 98 6.738 6.465 5.246 1.00 0.00 H ATOM 751 H THR A 98 5.134 6.196 3.834 1.00 0.00 H ATOM 752 N ILE A 99 4.256 2.837 5.845 1.00 56.22 N ATOM 753 CA ILE A 99 3.310 2.500 6.913 1.00 53.71 C ATOM 754 C ILE A 99 3.854 2.772 8.323 1.00 52.91 C ATOM 755 O ILE A 99 3.069 2.985 9.248 1.00 52.62 O ATOM 756 CB ILE A 99 2.774 1.053 6.765 1.00 56.40 C ATOM 757 CG1 ILE A 99 3.893 -0.003 6.957 1.00 56.23 C ATOM 758 CG2 ILE A 99 2.043 0.883 5.423 1.00 56.97 C ATOM 759 CD1 ILE A 99 3.413 -1.447 7.005 1.00 62.87 C ATOM 760 H ILE A 99 4.515 2.082 5.178 1.00 0.00 H ATOM 761 N ASP A 100 5.182 2.786 8.467 1.00 45.17 N ATOM 762 CA ASP A 100 5.868 3.016 9.722 1.00 42.87 C ATOM 763 C ASP A 100 5.853 4.482 10.161 1.00 41.01 C ATOM 764 O ASP A 100 5.779 5.384 9.316 1.00 40.78 O ATOM 765 CB ASP A 100 7.311 2.494 9.631 1.00 44.53 C ATOM 766 CG ASP A 100 7.540 1.316 10.533 1.00 57.68 C ATOM 767 OD1 ASP A 100 8.111 1.507 11.626 1.00 58.48 O ATOM 768 OD2 ASP A 100 7.126 0.209 10.167 1.00 67.17 O ATOM 769 H ASP A 100 5.763 2.621 7.620 1.00 0.00 H ATOM 770 N HIS A 101 5.903 4.698 11.499 1.00 32.22 N ATOM 771 CA HIS A 101 6.006 5.994 12.175 1.00 29.55 C ATOM 772 C HIS A 101 4.883 6.977 11.830 1.00 26.13 C ATOM 773 O HIS A 101 5.100 8.175 11.833 1.00 25.66 O ATOM 774 CB HIS A 101 7.397 6.620 11.904 1.00 31.34 C ATOM 775 CG HIS A 101 8.533 5.643 11.988 1.00 35.69 C ATOM 776 ND1 HIS A 101 9.090 5.282 13.201 1.00 38.02 N ATOM 777 CD2 HIS A 101 9.192 4.998 10.998 1.00 37.97 C ATOM 778 CE1 HIS A 101 10.038 4.404 12.912 1.00 37.17 C ATOM 779 NE2 HIS A 101 10.141 4.211 11.601 1.00 37.53 N ATOM 780 H HIS A 101 5.864 3.856 12.109 1.00 0.00 H ATOM 781 N ASP A 102 3.676 6.481 11.551 1.00 20.38 N ATOM 782 CA ASP A 102 2.560 7.338 11.143 1.00 18.78 C ATOM 783 C ASP A 102 1.808 7.975 12.339 1.00 24.86 C ATOM 784 O ASP A 102 0.585 7.849 12.458 1.00 25.79 O ATOM 785 CB ASP A 102 1.607 6.551 10.223 1.00 19.11 C ATOM 786 CG ASP A 102 0.627 7.451 9.493 1.00 21.07 C ATOM 787 OD1 ASP A 102 0.916 8.655 9.341 1.00 18.96 O ATOM 788 OD2 ASP A 102 -0.416 6.957 9.083 1.00 20.44 O ATOM 789 H ASP A 102 3.523 5.455 11.625 1.00 0.00 H ATOM 790 N LEU A 103 2.542 8.678 13.200 1.00 19.62 N ATOM 791 CA LEU A 103 1.984 9.311 14.389 1.00 20.45 C ATOM 792 C LEU A 103 2.069 10.819 14.250 1.00 21.16 C ATOM 793 O LEU A 103 3.009 11.329 13.640 1.00 20.57 O ATOM 794 CB LEU A 103 2.774 8.887 15.641 1.00 22.01 C ATOM 795 CG LEU A 103 2.273 7.735 16.476 1.00 27.13 C ATOM 796 CD1 LEU A 103 2.904 7.789 17.859 1.00 27.12 C ATOM 797 CD2 LEU A 103 0.714 7.712 16.579 1.00 28.22 C ATOM 798 H LEU A 103 3.560 8.780 13.016 1.00 0.00 H ATOM 799 N LEU A 104 1.086 11.520 14.815 1.00 16.81 N ATOM 800 CA LEU A 104 0.981 12.971 14.788 1.00 16.06 C ATOM 801 C LEU A 104 0.422 13.461 16.110 1.00 20.64 C ATOM 802 O LEU A 104 -0.586 12.934 16.592 1.00 17.88 O ATOM 803 CB LEU A 104 0.057 13.397 13.619 1.00 16.32 C ATOM 804 CG LEU A 104 -0.363 14.853 13.477 1.00 20.05 C ATOM 805 CD1 LEU A 104 0.777 15.717 12.952 1.00 20.63 C ATOM 806 CD2 LEU A 104 -1.526 14.971 12.476 1.00 19.64 C ATOM 807 H LEU A 104 0.340 10.992 15.311 1.00 0.00 H ATOM 808 N LEU A 105 1.067 14.474 16.702 1.00 16.58 N ATOM 809 CA LEU A 105 0.538 15.062 17.932 1.00 16.64 C ATOM 810 C LEU A 105 0.031 16.460 17.599 1.00 21.85 C ATOM 811 O LEU A 105 0.686 17.218 16.879 1.00 22.68 O ATOM 812 CB LEU A 105 1.565 15.036 19.098 1.00 16.62 C ATOM 813 CG LEU A 105 1.573 13.740 19.949 1.00 19.39 C ATOM 814 CD1 LEU A 105 2.825 13.613 20.766 1.00 21.75 C ATOM 815 CD2 LEU A 105 0.367 13.681 20.904 1.00 18.48 C ATOM 816 H LEU A 105 1.946 14.843 16.286 1.00 0.00 H ATOM 817 N LEU A 106 -1.180 16.775 18.042 1.00 17.56 N ATOM 818 CA LEU A 106 -1.778 18.078 17.758 1.00 17.68 C ATOM 819 C LEU A 106 -1.973 18.825 19.062 1.00 22.72 C ATOM 820 O LEU A 106 -2.637 18.317 19.953 1.00 19.92 O ATOM 821 CB LEU A 106 -3.117 17.954 17.021 1.00 17.79 C ATOM 822 CG LEU A 106 -3.093 17.231 15.674 1.00 23.75 C ATOM 823 CD1 LEU A 106 -4.498 16.844 15.246 1.00 23.39 C ATOM 824 CD2 LEU A 106 -2.361 18.050 14.615 1.00 24.44 C ATOM 825 H LEU A 106 -1.714 16.081 18.602 1.00 0.00 H ATOM 826 N GLN A 107 -1.392 20.028 19.185 1.00 20.29 N ATOM 827 CA GLN A 107 -1.594 20.817 20.384 1.00 21.10 C ATOM 828 C GLN A 107 -2.740 21.761 20.123 1.00 24.81 C ATOM 829 O GLN A 107 -2.720 22.506 19.139 1.00 24.31 O ATOM 830 CB GLN A 107 -0.335 21.583 20.794 1.00 23.00 C ATOM 831 CG GLN A 107 -0.452 22.155 22.191 1.00 22.35 C ATOM 832 CD GLN A 107 0.768 22.926 22.587 1.00 32.65 C ATOM 833 OE1 GLN A 107 1.771 22.967 21.871 1.00 25.96 O ATOM 834 NE2 GLN A 107 0.713 23.551 23.757 1.00 28.99 N ATOM 835 HE22 GLN A 107 -0.149 23.496 24.336 1.00 0.00 H ATOM 836 HE21 GLN A 107 1.532 24.096 24.094 1.00 0.00 H ATOM 837 H GLN A 107 -0.795 20.396 18.417 1.00 0.00 H ATOM 838 N LEU A 108 -3.762 21.703 20.994 1.00 21.18 N ATOM 839 CA LEU A 108 -4.972 22.510 20.868 1.00 19.99 C ATOM 840 C LEU A 108 -4.678 23.965 21.302 1.00 24.53 C ATOM 841 O LEU A 108 -3.741 24.175 22.083 1.00 25.51 O ATOM 842 CB LEU A 108 -6.083 21.912 21.743 1.00 20.16 C ATOM 843 CG LEU A 108 -6.494 20.442 21.501 1.00 22.93 C ATOM 844 CD1 LEU A 108 -7.751 20.133 22.267 1.00 23.50 C ATOM 845 CD2 LEU A 108 -6.767 20.160 20.017 1.00 22.01 C ATOM 846 H LEU A 108 -3.687 21.049 21.799 1.00 0.00 H ATOM 847 N SER A 109 -5.485 24.925 20.794 1.00 23.27 N ATOM 848 CA SER A 109 -5.385 26.366 21.083 1.00 23.77 C ATOM 849 C SER A 109 -5.582 26.702 22.569 1.00 31.26 C ATOM 850 O SER A 109 -5.039 27.700 23.060 1.00 32.01 O ATOM 851 CB SER A 109 -6.353 27.170 20.220 1.00 25.24 C ATOM 852 OG SER A 109 -7.689 26.701 20.312 1.00 24.93 O ATOM 853 HG SER A 109 -8.272 27.255 19.735 1.00 0.00 H ATOM 854 H SER A 109 -6.239 24.620 20.145 1.00 0.00 H ATOM 855 N GLU A 110 -6.364 25.889 23.278 1.00 29.69 N ATOM 856 CA GLU A 110 -6.609 26.066 24.708 1.00 29.79 C ATOM 857 C GLU A 110 -6.815 24.719 25.373 1.00 33.09 C ATOM 858 O GLU A 110 -7.080 23.725 24.685 1.00 32.51 O ATOM 859 CB GLU A 110 -7.781 27.040 24.991 1.00 32.03 C ATOM 860 CG GLU A 110 -9.099 26.714 24.314 1.00 47.79 C ATOM 861 CD GLU A 110 -10.289 27.568 24.716 1.00 81.20 C ATOM 862 OE1 GLU A 110 -10.267 28.162 25.820 1.00 84.99 O ATOM 863 OE2 GLU A 110 -11.253 27.637 23.919 1.00 76.20 O ATOM 864 H GLU A 110 -6.821 25.092 22.791 1.00 0.00 H ATOM 865 N LYS A 111 -6.639 24.667 26.697 1.00 29.06 N ATOM 866 CA LYS A 111 -6.866 23.452 27.471 1.00 29.41 C ATOM 867 C LYS A 111 -8.360 23.148 27.356 1.00 33.77 C ATOM 868 O LYS A 111 -9.184 24.050 27.526 1.00 34.09 O ATOM 869 CB LYS A 111 -6.464 23.653 28.941 1.00 32.10 C ATOM 870 CG LYS A 111 -5.003 24.021 29.146 1.00 48.10 C ATOM 871 CD LYS A 111 -4.613 24.054 30.610 1.00 57.46 C ATOM 872 CE LYS A 111 -3.179 24.495 30.764 1.00 72.51 C ATOM 873 NZ LYS A 111 -2.796 24.677 32.192 1.00 82.07 N ATOM 874 HZ1 LYS A 111 -3.405 25.401 32.623 1.00 0.00 H ATOM 875 HZ2 LYS A 111 -2.914 23.776 32.699 1.00 0.00 H ATOM 876 HZ3 LYS A 111 -1.803 24.980 32.247 1.00 0.00 H ATOM 877 H LYS A 111 -6.328 25.526 27.194 1.00 0.00 H ATOM 878 N ALA A 112 -8.713 21.907 26.979 1.00 28.95 N ATOM 879 CA ALA A 112 -10.112 21.524 26.845 1.00 26.52 C ATOM 880 C ALA A 112 -10.719 21.310 28.213 1.00 27.95 C ATOM 881 O ALA A 112 -10.045 20.787 29.112 1.00 26.84 O ATOM 882 CB ALA A 112 -10.227 20.235 26.037 1.00 26.98 C ATOM 883 H ALA A 112 -7.972 21.206 26.779 1.00 0.00 H ATOM 884 N THR A 113 -11.988 21.700 28.383 1.00 25.62 N ATOM 885 CA THR A 113 -12.701 21.448 29.647 1.00 25.48 C ATOM 886 C THR A 113 -13.183 19.999 29.559 1.00 24.69 C ATOM 887 O THR A 113 -13.821 19.612 28.580 1.00 23.91 O ATOM 888 CB THR A 113 -13.865 22.432 29.853 1.00 42.20 C ATOM 889 OG1 THR A 113 -13.340 23.761 29.884 1.00 45.94 O ATOM 890 CG2 THR A 113 -14.627 22.165 31.150 1.00 41.70 C ATOM 891 HG1 THR A 113 -14.081 24.404 30.016 1.00 0.00 H ATOM 892 H THR A 113 -12.480 22.190 27.608 1.00 0.00 H ATOM 893 N LEU A 114 -12.839 19.196 30.544 1.00 21.50 N ATOM 894 CA LEU A 114 -13.219 17.796 30.476 1.00 19.84 C ATOM 895 C LEU A 114 -14.557 17.547 31.122 1.00 26.44 C ATOM 896 O LEU A 114 -14.975 18.323 31.987 1.00 27.49 O ATOM 897 CB LEU A 114 -12.113 16.886 31.037 1.00 19.47 C ATOM 898 CG LEU A 114 -10.657 17.182 30.625 1.00 22.12 C ATOM 899 CD1 LEU A 114 -9.712 16.246 31.330 1.00 22.39 C ATOM 900 CD2 LEU A 114 -10.445 17.143 29.102 1.00 19.83 C ATOM 901 H LEU A 114 -12.303 19.559 31.358 1.00 0.00 H ATOM 902 N GLY A 115 -15.233 16.499 30.664 1.00 21.57 N ATOM 903 CA GLY A 115 -16.532 16.092 31.171 1.00 21.70 C ATOM 904 C GLY A 115 -16.953 14.739 30.636 1.00 22.29 C ATOM 905 O GLY A 115 -16.145 14.045 29.994 1.00 18.67 O ATOM 906 H GLY A 115 -14.808 15.938 29.899 1.00 0.00 H ATOM 907 N PRO A 118 -18.233 14.352 30.858 1.00 19.67 N ATOM 908 CA PRO A 118 -18.684 13.036 30.385 1.00 19.05 C ATOM 909 C PRO A 118 -18.569 12.841 28.878 1.00 20.51 C ATOM 910 O PRO A 118 -18.416 11.702 28.447 1.00 19.46 O ATOM 911 CB PRO A 118 -20.128 12.933 30.892 1.00 21.45 C ATOM 912 CG PRO A 118 -20.537 14.320 31.171 1.00 25.86 C ATOM 913 CD PRO A 118 -19.306 15.049 31.596 1.00 21.75 C ATOM 914 N ALA A 119 -18.562 13.939 28.085 1.00 16.09 N ATOM 915 CA ALA A 119 -18.445 13.823 26.627 1.00 15.28 C ATOM 916 C ALA A 119 -17.064 14.170 26.073 1.00 15.46 C ATOM 917 O ALA A 119 -16.857 14.019 24.863 1.00 14.85 O ATOM 918 CB ALA A 119 -19.501 14.695 25.950 1.00 15.62 C ATOM 919 H ALA A 119 -18.641 14.882 28.517 1.00 0.00 H ATOM 920 N VAL A 120 -16.135 14.661 26.928 1.00 13.42 N ATOM 921 CA VAL A 120 -14.766 15.076 26.522 1.00 12.99 C ATOM 922 C VAL A 120 -13.818 14.600 27.596 1.00 16.91 C ATOM 923 O VAL A 120 -13.718 15.230 28.657 1.00 15.85 O ATOM 924 CB VAL A 120 -14.647 16.627 26.305 1.00 15.85 C ATOM 925 CG1 VAL A 120 -13.222 17.020 25.913 1.00 15.64 C ATOM 926 CG2 VAL A 120 -15.620 17.115 25.251 1.00 15.97 C ATOM 927 H VAL A 120 -16.395 14.753 27.931 1.00 0.00 H ATOM 928 N ARG A 121 -13.062 13.543 27.312 1.00 16.34 N ATOM 929 CA ARG A 121 -12.152 12.978 28.306 1.00 16.62 C ATOM 930 C ARG A 121 -10.986 12.290 27.598 1.00 16.47 C ATOM 931 O ARG A 121 -11.230 11.550 26.652 1.00 13.66 O ATOM 932 CB ARG A 121 -12.953 11.949 29.115 1.00 20.76 C ATOM 933 CG ARG A 121 -12.257 11.341 30.284 1.00 27.49 C ATOM 934 CD ARG A 121 -13.237 10.425 30.977 1.00 36.39 C ATOM 935 NE ARG A 121 -13.448 9.159 30.265 1.00 35.66 N ATOM 936 CZ ARG A 121 -14.634 8.588 30.081 1.00 44.30 C ATOM 937 NH1 ARG A 121 -15.737 9.170 30.530 1.00 29.47 N ATOM 938 NH2 ARG A 121 -14.728 7.443 29.425 1.00 36.30 N ATOM 939 HE ARG A 121 -12.612 8.676 29.878 1.00 0.00 H ATOM 940 HH12 ARG A 121 -16.661 8.717 30.382 1.00 0.00 H ATOM 941 HH11 ARG A 121 -15.678 10.080 31.030 1.00 0.00 H ATOM 942 HH22 ARG A 121 -15.658 7.000 29.283 1.00 0.00 H ATOM 943 HH21 ARG A 121 -13.872 6.986 29.051 1.00 0.00 H ATOM 944 H ARG A 121 -13.120 13.112 26.367 1.00 0.00 H ATOM 945 N PRO A 122 -9.740 12.523 28.026 1.00 14.01 N ATOM 946 CA PRO A 122 -8.598 11.843 27.386 1.00 13.77 C ATOM 947 C PRO A 122 -8.557 10.363 27.713 1.00 17.02 C ATOM 948 O PRO A 122 -9.192 9.896 28.653 1.00 16.14 O ATOM 949 CB PRO A 122 -7.362 12.535 27.997 1.00 16.04 C ATOM 950 CG PRO A 122 -7.880 13.686 28.774 1.00 20.37 C ATOM 951 CD PRO A 122 -9.289 13.391 29.129 1.00 17.06 C ATOM 952 N LEU A 123 -7.760 9.630 26.935 1.00 14.55 N ATOM 953 CA LEU A 123 -7.614 8.195 27.097 1.00 14.19 C ATOM 954 C LEU A 123 -6.173 7.925 27.480 1.00 20.29 C ATOM 955 O LEU A 123 -5.270 8.341 26.748 1.00 18.95 O ATOM 956 CB LEU A 123 -7.962 7.502 25.733 1.00 13.97 C ATOM 957 CG LEU A 123 -8.174 5.990 25.721 1.00 18.45 C ATOM 958 CD1 LEU A 123 -9.239 5.562 26.701 1.00 18.64 C ATOM 959 CD2 LEU A 123 -8.531 5.524 24.325 1.00 20.21 C ATOM 960 H LEU A 123 -7.222 10.105 26.183 1.00 0.00 H ATOM 961 N PRO A 124 -5.929 7.205 28.603 1.00 18.84 N ATOM 962 CA PRO A 124 -4.545 6.828 28.930 1.00 19.12 C ATOM 963 C PRO A 124 -4.041 5.844 27.893 1.00 21.02 C ATOM 964 O PRO A 124 -4.793 5.020 27.369 1.00 19.40 O ATOM 965 CB PRO A 124 -4.676 6.149 30.294 1.00 21.02 C ATOM 966 CG PRO A 124 -6.038 5.569 30.285 1.00 26.75 C ATOM 967 CD PRO A 124 -6.888 6.602 29.556 1.00 22.75 C ATOM 968 N TRP A 124A -2.770 5.949 27.609 1.00 20.76 N ATOM 969 CA TRP A 124A -2.111 5.135 26.621 1.00 22.15 C ATOM 970 C TRP A 124A -1.081 4.243 27.286 1.00 20.44 C ATOM 971 O TRP A 124A -0.579 4.573 28.358 1.00 17.78 O ATOM 972 CB TRP A 124A -1.487 6.029 25.549 1.00 23.59 C ATOM 973 CG TRP A 124A -0.731 7.216 26.090 1.00 27.11 C ATOM 974 CD1 TRP A 124A -1.264 8.370 26.601 1.00 30.46 C ATOM 975 CD2 TRP A 124A 0.690 7.399 26.080 1.00 28.02 C ATOM 976 NE1 TRP A 124A -0.253 9.229 26.977 1.00 31.64 N ATOM 977 CE2 TRP A 124A 0.955 8.664 26.655 1.00 32.84 C ATOM 978 CE3 TRP A 124A 1.772 6.599 25.676 1.00 30.07 C ATOM 979 CZ2 TRP A 124A 2.259 9.158 26.810 1.00 33.54 C ATOM 980 CZ3 TRP A 124A 3.060 7.105 25.786 1.00 32.52 C ATOM 981 CH2 TRP A 124A 3.303 8.350 26.382 1.00 33.77 C ATOM 982 HE1 TRP A 124A -0.385 10.155 27.431 1.00 0.00 H ATOM 983 H TRP A 124A -2.206 6.656 28.122 1.00 0.00 H ATOM 984 N GLN A 125 -0.794 3.103 26.663 1.00 16.92 N ATOM 985 CA GLN A 125 0.174 2.149 27.190 1.00 17.00 C ATOM 986 C GLN A 125 1.592 2.715 27.035 1.00 22.64 C ATOM 987 O GLN A 125 1.971 3.150 25.936 1.00 20.46 O ATOM 988 CB GLN A 125 0.028 0.801 26.449 1.00 18.03 C ATOM 989 CG GLN A 125 0.878 -0.305 27.043 1.00 20.64 C ATOM 990 CD GLN A 125 0.258 -0.815 28.318 1.00 29.01 C ATOM 991 OE1 GLN A 125 0.710 -0.497 29.418 1.00 24.82 O ATOM 992 NE2 GLN A 125 -0.793 -1.606 28.193 1.00 17.74 N ATOM 993 HE22 GLN A 125 -1.148 -1.854 27.247 1.00 0.00 H ATOM 994 HE21 GLN A 125 -1.265 -1.981 29.040 1.00 0.00 H ATOM 995 H GLN A 125 -1.277 2.885 25.768 1.00 0.00 H ATOM 996 N ARG A 126 2.377 2.708 28.143 1.00 19.61 N ATOM 997 CA ARG A 126 3.759 3.214 28.117 1.00 19.16 C ATOM 998 C ARG A 126 4.782 2.082 28.126 1.00 24.90 C ATOM 999 O ARG A 126 5.832 2.202 27.484 1.00 26.65 O ATOM 1000 CB ARG A 126 4.037 4.199 29.264 1.00 17.08 C ATOM 1001 CG ARG A 126 3.821 5.665 28.893 1.00 15.12 C ATOM 1002 CD ARG A 126 2.743 6.265 29.775 1.00 30.91 C ATOM 1003 NE ARG A 126 2.521 7.705 29.596 1.00 44.49 N ATOM 1004 CZ ARG A 126 3.303 8.678 30.068 1.00 54.39 C ATOM 1005 NH1 ARG A 126 4.433 8.386 30.700 1.00 41.15 N ATOM 1006 NH2 ARG A 126 2.983 9.949 29.869 1.00 36.32 N ATOM 1007 HE ARG A 126 1.681 7.992 29.054 1.00 0.00 H ATOM 1008 HH12 ARG A 126 5.037 9.150 31.065 1.00 0.00 H ATOM 1009 HH11 ARG A 126 4.714 7.393 30.830 1.00 0.00 H ATOM 1010 HH22 ARG A 126 3.596 10.704 30.239 1.00 0.00 H ATOM 1011 HH21 ARG A 126 2.119 10.192 29.343 1.00 0.00 H ATOM 1012 H ARG A 126 1.991 2.335 29.034 1.00 0.00 H ATOM 1013 N VAL A 127 4.478 0.968 28.826 1.00 21.29 N ATOM 1014 CA VAL A 127 5.353 -0.214 28.901 1.00 20.41 C ATOM 1015 C VAL A 127 5.405 -0.852 27.503 1.00 23.73 C ATOM 1016 O VAL A 127 4.354 -1.102 26.892 1.00 20.09 O ATOM 1017 CB VAL A 127 4.872 -1.196 29.997 1.00 24.86 C ATOM 1018 CG1 VAL A 127 5.497 -2.583 29.845 1.00 24.93 C ATOM 1019 CG2 VAL A 127 5.154 -0.622 31.389 1.00 24.98 C ATOM 1020 H VAL A 127 3.575 0.943 29.341 1.00 0.00 H ATOM 1021 N ASP A 128 6.634 -1.061 26.980 1.00 20.85 N ATOM 1022 CA ASP A 128 6.826 -1.602 25.636 1.00 21.70 C ATOM 1023 C ASP A 128 6.617 -3.106 25.643 1.00 30.17 C ATOM 1024 O ASP A 128 7.572 -3.886 25.717 1.00 30.90 O ATOM 1025 CB ASP A 128 8.210 -1.200 25.101 1.00 23.18 C ATOM 1026 CG ASP A 128 8.425 -1.433 23.621 1.00 33.13 C ATOM 1027 OD1 ASP A 128 7.600 -2.146 23.003 1.00 32.19 O ATOM 1028 OD2 ASP A 128 9.425 -0.915 23.083 1.00 37.62 O ATOM 1029 H ASP A 128 7.470 -0.829 27.553 1.00 0.00 H ATOM 1030 N ARG A 129 5.344 -3.506 25.579 1.00 27.71 N ATOM 1031 CA ARG A 129 4.895 -4.897 25.585 1.00 28.11 C ATOM 1032 C ARG A 129 3.786 -5.050 24.554 1.00 29.84 C ATOM 1033 O ARG A 129 2.913 -4.185 24.463 1.00 26.87 O ATOM 1034 CB ARG A 129 4.361 -5.256 26.972 1.00 31.74 C ATOM 1035 CG ARG A 129 4.745 -6.641 27.443 1.00 49.32 C ATOM 1036 CD ARG A 129 3.456 -7.359 27.796 1.00 66.82 C ATOM 1037 NE ARG A 129 3.389 -7.852 29.179 1.00 80.91 N ATOM 1038 CZ ARG A 129 3.532 -7.131 30.294 1.00 97.34 C ATOM 1039 NH1 ARG A 129 3.873 -5.850 30.229 1.00 88.42 N ATOM 1040 NH2 ARG A 129 3.395 -7.703 31.481 1.00 81.36 N ATOM 1041 HE ARG A 129 3.212 -8.869 29.302 1.00 0.00 H ATOM 1042 HH12 ARG A 129 3.982 -5.296 31.102 1.00 0.00 H ATOM 1043 HH11 ARG A 129 4.031 -5.400 29.305 1.00 0.00 H ATOM 1044 HH22 ARG A 129 3.507 -7.138 32.347 1.00 0.00 H ATOM 1045 HH21 ARG A 129 3.175 -8.717 31.547 1.00 0.00 H ATOM 1046 H ARG A 129 4.613 -2.768 25.520 1.00 0.00 H ATOM 1047 N ASP A 129A 3.849 -6.109 23.742 1.00 27.83 N ATOM 1048 CA ASP A 129A 2.837 -6.368 22.718 1.00 27.41 C ATOM 1049 C ASP A 129A 1.525 -6.755 23.376 1.00 27.24 C ATOM 1050 O ASP A 129A 1.529 -7.475 24.371 1.00 29.69 O ATOM 1051 CB ASP A 129A 3.299 -7.503 21.771 1.00 30.38 C ATOM 1052 CG ASP A 129A 4.379 -7.131 20.767 1.00 47.24 C ATOM 1053 OD1 ASP A 129A 4.581 -5.924 20.530 1.00 49.31 O ATOM 1054 OD2 ASP A 129A 5.001 -8.050 20.198 1.00 54.15 O ATOM 1055 H ASP A 129A 4.644 -6.772 23.841 1.00 0.00 H ATOM 1056 N VAL A 130 0.397 -6.297 22.815 1.00 20.54 N ATOM 1057 CA VAL A 130 -0.936 -6.658 23.295 1.00 20.26 C ATOM 1058 C VAL A 130 -1.100 -8.117 22.899 1.00 24.78 C ATOM 1059 O VAL A 130 -0.815 -8.455 21.745 1.00 23.89 O ATOM 1060 CB VAL A 130 -2.037 -5.803 22.594 1.00 23.97 C ATOM 1061 CG1 VAL A 130 -3.445 -6.253 23.002 1.00 23.41 C ATOM 1062 CG2 VAL A 130 -1.835 -4.342 22.906 1.00 24.15 C ATOM 1063 H VAL A 130 0.474 -5.655 22.000 1.00 0.00 H ATOM 1064 N ALA A 131 -1.515 -8.966 23.848 1.00 23.64 N ATOM 1065 CA ALA A 131 -1.686 -10.400 23.607 1.00 24.39 C ATOM 1066 C ALA A 131 -2.589 -10.631 22.381 1.00 26.55 C ATOM 1067 O ALA A 131 -3.702 -10.099 22.374 1.00 25.27 O ATOM 1068 CB ALA A 131 -2.307 -11.060 24.828 1.00 25.22 C ATOM 1069 H ALA A 131 -1.724 -8.591 24.795 1.00 0.00 H ATOM 1070 N PRO A 132 -2.155 -11.386 21.334 1.00 20.53 N ATOM 1071 CA PRO A 132 -3.070 -11.669 20.207 1.00 19.58 C ATOM 1072 C PRO A 132 -4.391 -12.262 20.677 1.00 21.76 C ATOM 1073 O PRO A 132 -4.428 -12.968 21.678 1.00 22.73 O ATOM 1074 CB PRO A 132 -2.277 -12.669 19.357 1.00 20.85 C ATOM 1075 CG PRO A 132 -0.834 -12.318 19.657 1.00 25.66 C ATOM 1076 CD PRO A 132 -0.851 -12.055 21.130 1.00 21.79 C ATOM 1077 N GLY A 133 -5.468 -11.918 19.987 1.00 18.18 N ATOM 1078 CA GLY A 133 -6.810 -12.361 20.325 1.00 18.81 C ATOM 1079 C GLY A 133 -7.523 -11.410 21.262 1.00 22.76 C ATOM 1080 O GLY A 133 -8.732 -11.546 21.439 1.00 24.02 O ATOM 1081 H GLY A 133 -5.347 -11.299 19.160 1.00 0.00 H ATOM 1082 N THR A 134 -6.792 -10.440 21.873 1.00 17.50 N ATOM 1083 CA THR A 134 -7.418 -9.449 22.758 1.00 15.94 C ATOM 1084 C THR A 134 -8.401 -8.641 21.925 1.00 20.17 C ATOM 1085 O THR A 134 -8.060 -8.231 20.812 1.00 17.18 O ATOM 1086 CB THR A 134 -6.350 -8.529 23.397 1.00 24.26 C ATOM 1087 OG1 THR A 134 -5.465 -9.327 24.178 1.00 22.04 O ATOM 1088 CG2 THR A 134 -6.951 -7.416 24.287 1.00 23.36 C ATOM 1089 HG1 THR A 134 -5.027 -9.997 23.596 1.00 0.00 H ATOM 1090 H THR A 134 -5.766 -10.399 21.710 1.00 0.00 H ATOM 1091 N LEU A 135 -9.637 -8.490 22.429 1.00 19.72 N ATOM 1092 CA LEU A 135 -10.670 -7.703 21.750 1.00 21.35 C ATOM 1093 C LEU A 135 -10.430 -6.200 21.981 1.00 21.47 C ATOM 1094 O LEU A 135 -10.385 -5.735 23.124 1.00 21.73 O ATOM 1095 CB LEU A 135 -12.062 -8.072 22.248 1.00 22.81 C ATOM 1096 CG LEU A 135 -12.849 -9.084 21.432 1.00 29.93 C ATOM 1097 CD1 LEU A 135 -14.095 -9.471 22.152 1.00 30.96 C ATOM 1098 CD2 LEU A 135 -13.221 -8.537 20.070 1.00 34.95 C ATOM 1099 H LEU A 135 -9.869 -8.948 23.333 1.00 0.00 H ATOM 1100 N CYS A 136 -10.291 -5.444 20.881 1.00 15.71 N ATOM 1101 CA CYS A 136 -10.055 -4.018 20.987 1.00 15.75 C ATOM 1102 C CYS A 136 -11.084 -3.274 20.188 1.00 17.24 C ATOM 1103 O CYS A 136 -11.556 -3.773 19.176 1.00 18.08 O ATOM 1104 CB CYS A 136 -8.639 -3.671 20.550 1.00 16.58 C ATOM 1105 SG CYS A 136 -7.379 -4.649 21.415 1.00 21.15 S ATOM 1106 H CYS A 136 -10.353 -5.886 19.942 1.00 0.00 H ATOM 1107 N ASP A 137 -11.440 -2.105 20.657 1.00 14.37 N ATOM 1108 CA ASP A 137 -12.488 -1.291 20.066 1.00 13.34 C ATOM 1109 C ASP A 137 -11.850 -0.219 19.204 1.00 15.67 C ATOM 1110 O ASP A 137 -10.978 0.530 19.696 1.00 14.54 O ATOM 1111 CB ASP A 137 -13.330 -0.641 21.200 1.00 14.35 C ATOM 1112 CG ASP A 137 -14.598 0.055 20.768 1.00 26.78 C ATOM 1113 OD1 ASP A 137 -14.506 1.188 20.218 1.00 26.97 O ATOM 1114 OD2 ASP A 137 -15.680 -0.511 20.997 1.00 31.75 O ATOM 1115 H ASP A 137 -10.947 -1.740 21.497 1.00 0.00 H ATOM 1116 N VAL A 138 -12.283 -0.162 17.932 1.00 10.58 N ATOM 1117 CA VAL A 138 -11.864 0.886 16.997 1.00 10.80 C ATOM 1118 C VAL A 138 -13.084 1.710 16.621 1.00 13.29 C ATOM 1119 O VAL A 138 -14.133 1.160 16.306 1.00 11.90 O ATOM 1120 CB VAL A 138 -11.011 0.418 15.781 1.00 14.97 C ATOM 1121 CG1 VAL A 138 -11.756 -0.573 14.900 1.00 14.89 C ATOM 1122 CG2 VAL A 138 -10.531 1.610 14.951 1.00 14.03 C ATOM 1123 H VAL A 138 -12.943 -0.893 17.598 1.00 0.00 H ATOM 1124 N ALA A 139 -12.948 3.042 16.689 1.00 11.30 N ATOM 1125 CA ALA A 139 -14.072 3.920 16.410 1.00 11.82 C ATOM 1126 C ALA A 139 -13.696 5.027 15.430 1.00 13.92 C ATOM 1127 O ALA A 139 -12.530 5.405 15.315 1.00 11.06 O ATOM 1128 CB ALA A 139 -14.595 4.518 17.710 1.00 12.46 C ATOM 1129 H ALA A 139 -12.027 3.452 16.944 1.00 0.00 H ATOM 1130 N GLY A 140 -14.676 5.477 14.668 1.00 10.45 N ATOM 1131 CA GLY A 140 -14.420 6.545 13.723 1.00 10.24 C ATOM 1132 C GLY A 140 -15.622 6.929 12.890 1.00 12.57 C ATOM 1133 O GLY A 140 -16.683 6.291 12.962 1.00 12.41 O ATOM 1134 H GLY A 140 -15.628 5.066 14.746 1.00 0.00 H ATOM 1135 N TRP A 141 -15.435 7.994 12.130 1.00 9.81 N ATOM 1136 CA TRP A 141 -16.418 8.582 11.202 1.00 11.89 C ATOM 1137 C TRP A 141 -16.015 8.264 9.767 1.00 16.59 C ATOM 1138 O TRP A 141 -16.438 8.944 8.824 1.00 15.92 O ATOM 1139 CB TRP A 141 -16.495 10.101 11.422 1.00 10.70 C ATOM 1140 CG TRP A 141 -17.163 10.523 12.697 1.00 11.96 C ATOM 1141 CD1 TRP A 141 -18.507 10.639 12.918 1.00 14.88 C ATOM 1142 CD2 TRP A 141 -16.521 10.876 13.929 1.00 11.77 C ATOM 1143 NE1 TRP A 141 -18.739 11.097 14.193 1.00 14.90 N ATOM 1144 CE2 TRP A 141 -17.544 11.207 14.852 1.00 16.14 C ATOM 1145 CE3 TRP A 141 -15.181 10.934 14.346 1.00 14.61 C ATOM 1146 CZ2 TRP A 141 -17.269 11.672 16.125 1.00 15.86 C ATOM 1147 CZ3 TRP A 141 -14.909 11.396 15.618 1.00 16.41 C ATOM 1148 CH2 TRP A 141 -15.946 11.761 16.491 1.00 17.21 C ATOM 1149 HE1 TRP A 141 -19.672 11.324 14.593 1.00 0.00 H ATOM 1150 H TRP A 141 -14.508 8.461 12.192 1.00 0.00 H ATOM 1151 N GLY A 142 -15.175 7.244 9.611 1.00 11.98 N ATOM 1152 CA GLY A 142 -14.726 6.782 8.304 1.00 12.65 C ATOM 1153 C GLY A 142 -15.843 6.109 7.529 1.00 15.25 C ATOM 1154 O GLY A 142 -16.924 5.885 8.060 1.00 12.90 O ATOM 1155 H GLY A 142 -14.824 6.755 10.459 1.00 0.00 H ATOM 1156 N ILE A 143 -15.589 5.791 6.262 1.00 15.13 N ATOM 1157 CA ILE A 143 -16.607 5.221 5.397 1.00 15.33 C ATOM 1158 C ILE A 143 -17.161 3.904 5.928 1.00 19.16 C ATOM 1159 O ILE A 143 -16.460 3.149 6.619 1.00 19.62 O ATOM 1160 CB ILE A 143 -16.084 5.141 3.931 1.00 16.79 C ATOM 1161 CG1 ILE A 143 -14.970 4.056 3.769 1.00 17.63 C ATOM 1162 CG2 ILE A 143 -15.629 6.563 3.440 1.00 15.07 C ATOM 1163 CD1 ILE A 143 -14.519 3.813 2.239 1.00 18.27 C ATOM 1164 H ILE A 143 -14.635 5.955 5.881 1.00 0.00 H ATOM 1165 N VAL A 144 -18.463 3.676 5.672 1.00 16.66 N ATOM 1166 CA VAL A 144 -19.196 2.506 6.175 1.00 17.41 C ATOM 1167 C VAL A 144 -19.484 1.438 5.102 1.00 20.33 C ATOM 1168 O VAL A 144 -20.055 0.408 5.415 1.00 20.71 O ATOM 1169 CB VAL A 144 -20.479 2.901 6.949 1.00 22.53 C ATOM 1170 CG1 VAL A 144 -20.124 3.713 8.199 1.00 21.18 C ATOM 1171 CG2 VAL A 144 -21.456 3.652 6.026 1.00 22.65 C ATOM 1172 H VAL A 144 -18.978 4.365 5.087 1.00 0.00 H ATOM 1173 N ASN A 145 -19.051 1.677 3.864 1.00 18.29 N ATOM 1174 CA ASN A 145 -19.111 0.708 2.768 1.00 18.81 C ATOM 1175 C ASN A 145 -17.967 1.001 1.790 1.00 22.55 C ATOM 1176 O ASN A 145 -17.317 2.036 1.925 1.00 20.32 O ATOM 1177 CB ASN A 145 -20.497 0.626 2.114 1.00 19.90 C ATOM 1178 CG ASN A 145 -20.906 1.815 1.296 1.00 27.15 C ATOM 1179 OD1 ASN A 145 -20.089 2.610 0.825 1.00 20.42 O ATOM 1180 ND2 ASN A 145 -22.214 1.968 1.094 1.00 21.26 N ATOM 1181 HD22 ASN A 145 -22.886 1.286 1.500 1.00 0.00 H ATOM 1182 HD21 ASN A 145 -22.563 2.769 0.530 1.00 0.00 H ATOM 1183 H ASN A 145 -18.644 2.613 3.664 1.00 0.00 H ATOM 1184 N HIS A 146 -17.720 0.116 0.823 1.00 20.95 N ATOM 1185 CA HIS A 146 -16.604 0.263 -0.107 1.00 21.27 C ATOM 1186 C HIS A 146 -16.768 1.415 -1.081 1.00 24.99 C ATOM 1187 O HIS A 146 -15.748 1.967 -1.539 1.00 25.24 O ATOM 1188 CB HIS A 146 -16.334 -1.071 -0.819 1.00 22.25 C ATOM 1189 CG HIS A 146 -15.804 -2.118 0.095 1.00 25.46 C ATOM 1190 ND1 HIS A 146 -14.458 -2.270 0.280 1.00 27.53 N ATOM 1191 CD2 HIS A 146 -16.453 -3.012 0.872 1.00 27.30 C ATOM 1192 CE1 HIS A 146 -14.317 -3.255 1.145 1.00 26.73 C ATOM 1193 NE2 HIS A 146 -15.487 -3.724 1.544 1.00 27.36 N ATOM 1194 H HIS A 146 -18.346 -0.709 0.728 1.00 0.00 H ATOM 1195 N ALA A 147 -18.029 1.833 -1.357 1.00 20.89 N ATOM 1196 CA ALA A 147 -18.304 2.960 -2.238 1.00 20.42 C ATOM 1197 C ALA A 147 -17.889 4.303 -1.643 1.00 22.40 C ATOM 1198 O ALA A 147 -17.603 5.245 -2.365 1.00 22.84 O ATOM 1199 CB ALA A 147 -19.777 2.977 -2.625 1.00 21.14 C ATOM 1200 H ALA A 147 -18.829 1.330 -0.923 1.00 0.00 H ATOM 1201 N GLY A 149 -17.779 4.379 -0.334 1.00 18.00 N ATOM 1202 CA GLY A 149 -17.388 5.651 0.254 1.00 17.44 C ATOM 1203 C GLY A 149 -18.496 6.387 0.974 1.00 22.12 C ATOM 1204 O GLY A 149 -18.337 7.576 1.272 1.00 21.98 O ATOM 1205 H GLY A 149 -17.967 3.550 0.266 1.00 0.00 H ATOM 1206 N ARG A 150 -19.604 5.695 1.296 1.00 16.79 N ATOM 1207 CA ARG A 150 -20.705 6.299 2.063 1.00 18.35 C ATOM 1208 C ARG A 150 -20.179 6.726 3.441 1.00 21.02 C ATOM 1209 O ARG A 150 -19.596 5.916 4.149 1.00 18.47 O ATOM 1210 CB ARG A 150 -21.844 5.278 2.272 1.00 21.87 C ATOM 1211 CG ARG A 150 -23.186 5.915 2.637 1.00 36.72 C ATOM 1212 CD ARG A 150 -23.930 5.171 3.720 1.00 55.07 C ATOM 1213 NE ARG A 150 -24.704 4.021 3.243 1.00 59.26 N ATOM 1214 CZ ARG A 150 -25.210 3.086 4.039 1.00 72.89 C ATOM 1215 NH1 ARG A 150 -25.038 3.158 5.354 1.00 54.41 N ATOM 1216 NH2 ARG A 150 -25.889 2.069 3.528 1.00 64.88 N ATOM 1217 HE ARG A 150 -24.867 3.932 2.220 1.00 0.00 H ATOM 1218 HH12 ARG A 150 -25.437 2.422 5.972 1.00 0.00 H ATOM 1219 HH11 ARG A 150 -24.504 3.950 5.766 1.00 0.00 H ATOM 1220 HH22 ARG A 150 -26.283 1.339 4.155 1.00 0.00 H ATOM 1221 HH21 ARG A 150 -26.028 2.001 2.500 1.00 0.00 H ATOM 1222 H ARG A 150 -19.685 4.703 0.994 1.00 0.00 H ATOM 1223 N ARG A 151 -20.377 7.996 3.789 1.00 19.96 N ATOM 1224 CA ARG A 151 -19.899 8.542 5.050 1.00 19.74 C ATOM 1225 C ARG A 151 -21.010 8.595 6.092 1.00 21.15 C ATOM 1226 O ARG A 151 -22.090 9.125 5.811 1.00 21.60 O ATOM 1227 CB ARG A 151 -19.320 9.940 4.845 1.00 22.58 C ATOM 1228 CG ARG A 151 -18.119 10.023 3.895 1.00 31.07 C ATOM 1229 CD ARG A 151 -17.092 10.995 4.426 1.00 49.76 C ATOM 1230 NE ARG A 151 -16.639 11.938 3.415 1.00 66.20 N ATOM 1231 CZ ARG A 151 -17.084 13.186 3.325 1.00 91.02 C ATOM 1232 NH1 ARG A 151 -18.039 13.618 4.141 1.00 84.25 N ATOM 1233 NH2 ARG A 151 -16.608 14.001 2.393 1.00 80.53 N ATOM 1234 HE ARG A 151 -15.929 11.618 2.726 1.00 0.00 H ATOM 1235 HH12 ARG A 151 -18.384 14.596 4.066 1.00 0.00 H ATOM 1236 HH11 ARG A 151 -18.442 12.978 4.855 1.00 0.00 H ATOM 1237 HH22 ARG A 151 -16.960 14.977 2.327 1.00 0.00 H ATOM 1238 HH21 ARG A 151 -15.883 13.664 1.728 1.00 0.00 H ATOM 1239 H ARG A 151 -20.892 8.620 3.136 1.00 0.00 H ATOM 1240 N PRO A 152 -20.763 8.095 7.320 1.00 16.08 N ATOM 1241 CA PRO A 152 -21.773 8.230 8.364 1.00 16.48 C ATOM 1242 C PRO A 152 -21.708 9.622 8.968 1.00 22.02 C ATOM 1243 O PRO A 152 -20.671 10.284 8.900 1.00 22.74 O ATOM 1244 CB PRO A 152 -21.347 7.180 9.391 1.00 17.28 C ATOM 1245 CG PRO A 152 -19.825 7.187 9.309 1.00 21.04 C ATOM 1246 CD PRO A 152 -19.516 7.478 7.848 1.00 17.29 C ATOM 1247 N ASP A 153 -22.795 10.063 9.597 1.00 18.78 N ATOM 1248 CA ASP A 153 -22.738 11.340 10.291 1.00 18.91 C ATOM 1249 C ASP A 153 -22.380 11.057 11.745 1.00 20.67 C ATOM 1250 O ASP A 153 -21.696 11.858 12.375 1.00 22.76 O ATOM 1251 CB ASP A 153 -24.077 12.085 10.218 1.00 21.19 C ATOM 1252 CG ASP A 153 -23.891 13.590 10.317 1.00 38.72 C ATOM 1253 OD1 ASP A 153 -23.847 14.256 9.256 1.00 43.42 O ATOM 1254 OD2 ASP A 153 -23.773 14.099 11.445 1.00 39.70 O ATOM 1255 H ASP A 153 -23.671 9.503 9.592 1.00 0.00 H ATOM 1256 N SER A 154 -22.840 9.920 12.276 1.00 16.60 N ATOM 1257 CA SER A 154 -22.568 9.569 13.676 1.00 16.13 C ATOM 1258 C SER A 154 -21.386 8.628 13.825 1.00 17.04 C ATOM 1259 O SER A 154 -21.070 7.855 12.913 1.00 17.57 O ATOM 1260 CB SER A 154 -23.781 8.919 14.322 1.00 21.04 C ATOM 1261 OG SER A 154 -24.005 7.665 13.706 1.00 33.77 O ATOM 1262 HG SER A 154 -24.794 7.232 14.119 1.00 0.00 H ATOM 1263 H SER A 154 -23.401 9.272 11.687 1.00 0.00 H ATOM 1264 N LEU A 155 -20.771 8.673 14.985 1.00 12.99 N ATOM 1265 CA LEU A 155 -19.620 7.829 15.285 1.00 12.02 C ATOM 1266 C LEU A 155 -19.994 6.353 15.197 1.00 15.55 C ATOM 1267 O LEU A 155 -21.024 5.923 15.749 1.00 15.88 O ATOM 1268 CB LEU A 155 -19.086 8.195 16.687 1.00 12.24 C ATOM 1269 CG LEU A 155 -17.855 7.441 17.181 1.00 15.43 C ATOM 1270 CD1 LEU A 155 -16.618 7.810 16.372 1.00 15.14 C ATOM 1271 CD2 LEU A 155 -17.619 7.726 18.635 1.00 15.05 C ATOM 1272 H LEU A 155 -21.116 9.331 15.712 1.00 0.00 H ATOM 1273 N GLN A 156 -19.134 5.570 14.533 1.00 13.24 N ATOM 1274 CA GLN A 156 -19.279 4.126 14.407 1.00 11.34 C ATOM 1275 C GLN A 156 -18.148 3.466 15.173 1.00 15.55 C ATOM 1276 O GLN A 156 -17.111 4.099 15.423 1.00 12.12 O ATOM 1277 CB GLN A 156 -19.220 3.673 12.935 1.00 11.72 C ATOM 1278 CG GLN A 156 -20.179 4.434 12.010 1.00 12.43 C ATOM 1279 CD GLN A 156 -21.617 4.026 12.183 1.00 22.87 C ATOM 1280 OE1 GLN A 156 -21.986 2.843 12.123 1.00 24.25 O ATOM 1281 NE2 GLN A 156 -22.442 5.012 12.404 1.00 15.63 N ATOM 1282 HE22 GLN A 156 -22.086 5.988 12.446 1.00 0.00 H ATOM 1283 HE21 GLN A 156 -23.456 4.822 12.538 1.00 0.00 H ATOM 1284 H GLN A 156 -18.313 6.020 14.080 1.00 0.00 H ATOM 1285 N HIS A 157 -18.345 2.197 15.542 1.00 12.15 N ATOM 1286 CA HIS A 157 -17.297 1.442 16.211 1.00 13.19 C ATOM 1287 C HIS A 157 -17.382 -0.030 15.913 1.00 16.94 C ATOM 1288 O HIS A 157 -18.419 -0.528 15.478 1.00 16.80 O ATOM 1289 CB HIS A 157 -17.282 1.721 17.724 1.00 13.56 C ATOM 1290 CG HIS A 157 -18.287 0.919 18.488 1.00 17.49 C ATOM 1291 ND1 HIS A 157 -17.901 -0.089 19.339 1.00 19.86 N ATOM 1292 CD2 HIS A 157 -19.640 0.949 18.426 1.00 20.16 C ATOM 1293 CE1 HIS A 157 -19.021 -0.613 19.808 1.00 20.00 C ATOM 1294 NE2 HIS A 157 -20.095 -0.007 19.291 1.00 20.25 N ATOM 1295 H HIS A 157 -19.260 1.743 15.348 1.00 0.00 H ATOM 1296 N VAL A 158 -16.279 -0.735 16.157 1.00 14.09 N ATOM 1297 CA VAL A 158 -16.243 -2.170 15.946 1.00 14.44 C ATOM 1298 C VAL A 158 -15.226 -2.763 16.892 1.00 16.89 C ATOM 1299 O VAL A 158 -14.236 -2.130 17.231 1.00 12.70 O ATOM 1300 CB VAL A 158 -16.043 -2.573 14.453 1.00 19.26 C ATOM 1301 CG1 VAL A 158 -14.620 -2.299 13.952 1.00 18.87 C ATOM 1302 CG2 VAL A 158 -16.485 -4.012 14.178 1.00 19.42 C ATOM 1303 H VAL A 158 -15.428 -0.248 16.505 1.00 0.00 H ATOM 1304 N LEU A 159 -15.471 -3.985 17.307 1.00 14.94 N ATOM 1305 CA LEU A 159 -14.560 -4.691 18.190 1.00 15.85 C ATOM 1306 C LEU A 159 -13.795 -5.672 17.311 1.00 20.79 C ATOM 1307 O LEU A 159 -14.402 -6.416 16.533 1.00 21.97 O ATOM 1308 CB LEU A 159 -15.356 -5.395 19.301 1.00 16.86 C ATOM 1309 CG LEU A 159 -15.750 -4.519 20.492 1.00 22.94 C ATOM 1310 CD1 LEU A 159 -16.894 -5.126 21.270 1.00 25.22 C ATOM 1311 CD2 LEU A 159 -14.595 -4.332 21.444 1.00 24.06 C ATOM 1312 H LEU A 159 -16.342 -4.460 16.994 1.00 0.00 H ATOM 1313 N LEU A 160 -12.468 -5.588 17.341 1.00 16.05 N ATOM 1314 CA LEU A 160 -11.580 -6.383 16.504 1.00 15.57 C ATOM 1315 C LEU A 160 -10.534 -7.075 17.339 1.00 19.33 C ATOM 1316 O LEU A 160 -9.958 -6.455 18.236 1.00 19.14 O ATOM 1317 CB LEU A 160 -10.859 -5.519 15.456 1.00 15.40 C ATOM 1318 CG LEU A 160 -11.681 -4.711 14.446 1.00 19.56 C ATOM 1319 CD1 LEU A 160 -10.750 -3.822 13.637 1.00 18.68 C ATOM 1320 CD2 LEU A 160 -12.462 -5.614 13.486 1.00 23.34 C ATOM 1321 H LEU A 160 -12.037 -4.912 18.004 1.00 0.00 H ATOM 1322 N PRO A 161 -10.240 -8.367 17.061 1.00 17.30 N ATOM 1323 CA PRO A 161 -9.178 -9.024 17.820 1.00 16.75 C ATOM 1324 C PRO A 161 -7.811 -8.692 17.228 1.00 17.87 C ATOM 1325 O PRO A 161 -7.649 -8.577 16.004 1.00 16.73 O ATOM 1326 CB PRO A 161 -9.535 -10.521 17.711 1.00 19.65 C ATOM 1327 CG PRO A 161 -10.280 -10.635 16.442 1.00 23.88 C ATOM 1328 CD PRO A 161 -10.834 -9.276 16.054 1.00 19.11 C ATOM 1329 N VAL A 162 -6.814 -8.545 18.110 1.00 16.39 N ATOM 1330 CA VAL A 162 -5.430 -8.268 17.750 1.00 17.13 C ATOM 1331 C VAL A 162 -4.821 -9.519 17.101 1.00 21.97 C ATOM 1332 O VAL A 162 -5.018 -10.626 17.604 1.00 23.00 O ATOM 1333 CB VAL A 162 -4.626 -7.821 19.022 1.00 21.28 C ATOM 1334 CG1 VAL A 162 -3.112 -7.793 18.776 1.00 21.34 C ATOM 1335 CG2 VAL A 162 -5.103 -6.462 19.501 1.00 21.33 C ATOM 1336 H VAL A 162 -7.043 -8.635 19.120 1.00 0.00 H ATOM 1337 N LEU A 163 -4.102 -9.337 15.976 1.00 18.60 N ATOM 1338 CA LEU A 163 -3.399 -10.398 15.220 1.00 20.17 C ATOM 1339 C LEU A 163 -1.896 -10.355 15.562 1.00 25.52 C ATOM 1340 O LEU A 163 -1.337 -9.250 15.630 1.00 25.93 O ATOM 1341 CB LEU A 163 -3.608 -10.136 13.712 1.00 20.42 C ATOM 1342 CG LEU A 163 -3.205 -11.207 12.703 1.00 24.58 C ATOM 1343 CD1 LEU A 163 -4.196 -12.368 12.694 1.00 24.61 C ATOM 1344 CD2 LEU A 163 -3.161 -10.614 11.323 1.00 27.11 C ATOM 1345 H LEU A 163 -4.035 -8.367 15.607 1.00 0.00 H ATOM 1346 N ASP A 164 -1.230 -11.547 15.733 1.00 21.49 N ATOM 1347 CA ASP A 164 0.195 -11.661 16.072 1.00 21.12 C ATOM 1348 C ASP A 164 0.964 -11.011 14.928 1.00 22.92 C ATOM 1349 O ASP A 164 0.507 -11.069 13.787 1.00 22.89 O ATOM 1350 CB ASP A 164 0.633 -13.142 16.329 1.00 22.37 C ATOM 1351 CG ASP A 164 0.924 -13.963 15.076 1.00 28.29 C ATOM 1352 OD1 ASP A 164 1.981 -13.747 14.455 1.00 30.58 O ATOM 1353 OD2 ASP A 164 0.098 -14.800 14.716 1.00 30.56 O ATOM 1354 H ASP A 164 -1.772 -12.427 15.614 1.00 0.00 H ATOM 1355 N ARG A 165 2.069 -10.342 15.232 1.00 22.30 N ATOM 1356 CA ARG A 165 2.841 -9.603 14.239 1.00 24.83 C ATOM 1357 C ARG A 165 3.319 -10.445 13.051 1.00 32.47 C ATOM 1358 O ARG A 165 3.262 -9.978 11.921 1.00 32.88 O ATOM 1359 CB ARG A 165 4.004 -8.873 14.903 1.00 29.88 C ATOM 1360 CG ARG A 165 4.651 -7.839 14.000 1.00 42.45 C ATOM 1361 CD ARG A 165 5.605 -6.952 14.755 1.00 52.04 C ATOM 1362 NE ARG A 165 4.904 -6.104 15.719 1.00 63.67 N ATOM 1363 CZ ARG A 165 4.862 -6.331 17.029 1.00 76.09 C ATOM 1364 NH1 ARG A 165 5.516 -7.360 17.553 1.00 63.88 N ATOM 1365 NH2 ARG A 165 4.173 -5.525 17.825 1.00 58.90 N ATOM 1366 HE ARG A 165 4.405 -5.267 15.356 1.00 0.00 H ATOM 1367 HH12 ARG A 165 5.479 -7.532 18.578 1.00 0.00 H ATOM 1368 HH11 ARG A 165 6.065 -7.994 16.939 1.00 0.00 H ATOM 1369 HH22 ARG A 165 4.143 -5.706 18.849 1.00 0.00 H ATOM 1370 HH21 ARG A 165 3.663 -4.712 17.426 1.00 0.00 H ATOM 1371 H ARG A 165 2.398 -10.345 16.219 1.00 0.00 H ATOM 1372 N ALA A 166 3.762 -11.674 13.304 1.00 31.20 N ATOM 1373 CA ALA A 166 4.273 -12.533 12.248 1.00 31.03 C ATOM 1374 C ALA A 166 3.224 -12.798 11.157 1.00 33.75 C ATOM 1375 O ALA A 166 3.529 -12.589 9.985 1.00 30.76 O ATOM 1376 CB ALA A 166 4.806 -13.831 12.835 1.00 32.08 C ATOM 1377 H ALA A 166 3.742 -12.029 14.281 1.00 0.00 H ATOM 1378 N THR A 167 1.980 -13.167 11.546 1.00 32.24 N ATOM 1379 CA THR A 167 0.868 -13.417 10.617 1.00 33.16 C ATOM 1380 C THR A 167 0.546 -12.171 9.799 1.00 40.05 C ATOM 1381 O THR A 167 0.222 -12.259 8.616 1.00 41.38 O ATOM 1382 CB THR A 167 -0.360 -13.865 11.404 1.00 34.27 C ATOM 1383 OG1 THR A 167 0.001 -15.062 12.069 1.00 27.73 O ATOM 1384 CG2 THR A 167 -1.593 -14.101 10.508 1.00 31.26 C ATOM 1385 HG1 THR A 167 0.764 -14.885 12.675 1.00 0.00 H ATOM 1386 H THR A 167 1.800 -13.280 12.564 1.00 0.00 H ATOM 1387 N CYS A 168 0.629 -11.015 10.435 1.00 35.86 N ATOM 1388 CA CYS A 168 0.347 -9.796 9.731 1.00 34.78 C ATOM 1389 C CYS A 168 1.480 -9.447 8.782 1.00 45.01 C ATOM 1390 O CYS A 168 1.228 -8.903 7.705 1.00 46.26 O ATOM 1391 CB CYS A 168 0.071 -8.680 10.714 1.00 31.80 C ATOM 1392 SG CYS A 168 -0.547 -7.192 9.931 1.00 33.63 S ATOM 1393 H CYS A 168 0.897 -10.989 11.440 1.00 0.00 H ATOM 1394 N ASN A 169 2.726 -9.775 9.175 1.00 43.93 N ATOM 1395 CA ASN A 169 3.897 -9.561 8.337 1.00 44.66 C ATOM 1396 C ASN A 169 3.812 -10.475 7.113 1.00 51.57 C ATOM 1397 O ASN A 169 3.992 -9.975 6.015 1.00 51.64 O ATOM 1398 CB ASN A 169 5.190 -9.802 9.125 1.00 45.28 C ATOM 1399 CG ASN A 169 6.345 -8.939 8.707 1.00 76.14 C ATOM 1400 OD1 ASN A 169 6.350 -8.342 7.626 1.00 74.31 O ATOM 1401 ND2 ASN A 169 7.355 -8.849 9.565 1.00 69.32 N ATOM 1402 HD22 ASN A 169 7.319 -9.365 10.467 1.00 0.00 H ATOM 1403 HD21 ASN A 169 8.182 -8.262 9.335 1.00 0.00 H ATOM 1404 H ASN A 169 2.857 -10.199 10.116 1.00 0.00 H ATOM 1405 N ARG A 170 3.479 -11.784 7.296 1.00 50.02 N ATOM 1406 CA ARG A 170 3.348 -12.874 6.303 1.00 51.20 C ATOM 1407 C ARG A 170 3.053 -12.440 4.846 1.00 58.95 C ATOM 1408 O ARG A 170 2.261 -11.535 4.631 1.00 58.13 O ATOM 1409 CB ARG A 170 2.284 -13.885 6.769 1.00 51.53 C ATOM 1410 CG ARG A 170 2.544 -15.336 6.373 1.00 58.66 C ATOM 1411 CD ARG A 170 2.099 -16.285 7.476 1.00 60.52 C ATOM 1412 NE ARG A 170 1.240 -17.365 6.983 1.00 69.64 N ATOM 1413 CZ ARG A 170 1.538 -18.663 7.046 1.00 82.07 C ATOM 1414 NH1 ARG A 170 2.688 -19.066 7.577 1.00 68.06 N ATOM 1415 NH2 ARG A 170 0.689 -19.568 6.575 1.00 63.25 N ATOM 1416 HE ARG A 170 0.331 -17.100 6.552 1.00 0.00 H ATOM 1417 HH12 ARG A 170 2.913 -20.080 7.622 1.00 0.00 H ATOM 1418 HH11 ARG A 170 3.363 -18.367 7.947 1.00 0.00 H ATOM 1419 HH22 ARG A 170 0.926 -20.579 6.626 1.00 0.00 H ATOM 1420 HH21 ARG A 170 -0.213 -19.266 6.155 1.00 0.00 H ATOM 1421 H ARG A 170 3.288 -12.058 8.281 1.00 0.00 H ATOM 1422 N ARG A 170A 3.682 -13.128 3.856 1.00 59.20 N ATOM 1423 CA ARG A 170A 3.598 -12.898 2.397 1.00 60.02 C ATOM 1424 C ARG A 170A 2.190 -12.571 1.859 1.00 66.03 C ATOM 1425 O ARG A 170A 2.050 -11.665 1.033 1.00 65.77 O ATOM 1426 CB ARG A 170A 4.191 -14.090 1.632 1.00 60.31 C ATOM 1427 H ARG A 170A 4.296 -13.910 4.161 1.00 0.00 H ATOM 1428 N THR A 170B 1.162 -13.303 2.335 1.00 63.87 N ATOM 1429 CA THR A 170B -0.247 -13.129 1.956 1.00 64.30 C ATOM 1430 C THR A 170B -0.793 -11.804 2.508 1.00 69.47 C ATOM 1431 O THR A 170B -1.633 -11.164 1.869 1.00 69.08 O ATOM 1432 CB THR A 170B -1.093 -14.296 2.491 1.00 72.50 C ATOM 1433 OG1 THR A 170B -0.277 -15.452 2.677 1.00 72.53 O ATOM 1434 CG2 THR A 170B -2.277 -14.616 1.596 1.00 71.33 C ATOM 1435 HG1 THR A 170B -0.833 -16.195 3.021 1.00 0.00 H ATOM 1436 H THR A 170B 1.384 -14.049 3.024 1.00 0.00 H ATOM 1437 N HIS A 171 -0.323 -11.420 3.708 1.00 66.42 N ATOM 1438 CA HIS A 171 -0.718 -10.208 4.403 1.00 66.24 C ATOM 1439 C HIS A 171 0.100 -8.989 3.929 1.00 69.27 C ATOM 1440 O HIS A 171 -0.239 -8.440 2.881 1.00 69.67 O ATOM 1441 CB HIS A 171 -0.685 -10.431 5.918 1.00 67.10 C ATOM 1442 H HIS A 171 0.374 -12.036 4.172 1.00 0.00 H ATOM 1443 N HIS A 172 1.164 -8.574 4.652 1.00 64.64 N ATOM 1444 CA HIS A 172 1.977 -7.412 4.259 1.00 64.14 C ATOM 1445 C HIS A 172 3.499 -7.681 4.341 1.00 67.31 C ATOM 1446 O HIS A 172 4.204 -7.090 5.173 1.00 67.19 O ATOM 1447 CB HIS A 172 1.562 -6.165 5.064 1.00 64.76 C ATOM 1448 H HIS A 172 1.417 -9.094 5.516 1.00 0.00 H ATOM 1449 N ASP A 173 3.987 -8.596 3.468 1.00 62.69 N ATOM 1450 CA ASP A 173 5.372 -9.086 3.350 1.00 61.92 C ATOM 1451 C ASP A 173 6.489 -8.067 3.697 1.00 63.78 C ATOM 1452 O ASP A 173 6.646 -7.049 3.011 1.00 63.97 O ATOM 1453 CB ASP A 173 5.618 -9.680 1.952 1.00 63.95 C ATOM 1454 H ASP A 173 3.301 -9.002 2.800 1.00 0.00 H ATOM 1455 N GLY A 174 7.219 -8.364 4.783 1.00 57.56 N ATOM 1456 CA GLY A 174 8.380 -7.619 5.280 1.00 55.59 C ATOM 1457 C GLY A 174 8.208 -6.239 5.894 1.00 54.85 C ATOM 1458 O GLY A 174 9.136 -5.743 6.544 1.00 54.23 O ATOM 1459 H GLY A 174 6.934 -9.204 5.325 1.00 0.00 H ATOM 1460 N ALA A 175 7.051 -5.592 5.683 1.00 47.57 N ATOM 1461 CA ALA A 175 6.796 -4.216 6.131 1.00 45.90 C ATOM 1462 C ALA A 175 6.277 -3.997 7.589 1.00 45.50 C ATOM 1463 O ALA A 175 6.308 -2.850 8.052 1.00 45.89 O ATOM 1464 CB ALA A 175 5.848 -3.548 5.156 1.00 46.57 C ATOM 1465 H ALA A 175 6.294 -6.092 5.175 1.00 0.00 H ATOM 1466 N ILE A 176 5.818 -5.049 8.301 1.00 37.44 N ATOM 1467 CA ILE A 176 5.277 -4.911 9.672 1.00 35.35 C ATOM 1468 C ILE A 176 6.383 -5.017 10.715 1.00 37.26 C ATOM 1469 O ILE A 176 6.762 -6.121 11.111 1.00 37.74 O ATOM 1470 CB ILE A 176 4.074 -5.862 9.964 1.00 37.96 C ATOM 1471 CG1 ILE A 176 3.051 -5.908 8.785 1.00 38.25 C ATOM 1472 CG2 ILE A 176 3.382 -5.541 11.310 1.00 39.10 C ATOM 1473 CD1 ILE A 176 2.310 -4.657 8.442 1.00 41.19 C ATOM 1474 H ILE A 176 5.846 -5.994 7.868 1.00 0.00 H ATOM 1475 N THR A 177 6.886 -3.862 11.166 1.00 31.25 N ATOM 1476 CA THR A 177 7.951 -3.754 12.174 1.00 29.14 C ATOM 1477 C THR A 177 7.388 -3.919 13.589 1.00 29.71 C ATOM 1478 O THR A 177 6.157 -4.000 13.765 1.00 26.07 O ATOM 1479 CB THR A 177 8.669 -2.397 12.043 1.00 40.44 C ATOM 1480 OG1 THR A 177 7.742 -1.343 12.336 1.00 45.52 O ATOM 1481 CG2 THR A 177 9.304 -2.192 10.671 1.00 37.68 C ATOM 1482 HG1 THR A 177 8.200 -0.469 12.253 1.00 0.00 H ATOM 1483 H THR A 177 6.497 -2.980 10.777 1.00 0.00 H ATOM 1484 N GLU A 178 8.292 -3.892 14.603 1.00 25.00 N ATOM 1485 CA GLU A 178 7.976 -3.977 16.043 1.00 24.89 C ATOM 1486 C GLU A 178 7.108 -2.800 16.502 1.00 27.81 C ATOM 1487 O GLU A 178 6.472 -2.896 17.553 1.00 29.40 O ATOM 1488 CB GLU A 178 9.267 -4.048 16.902 1.00 26.19 C ATOM 1489 CG GLU A 178 10.267 -2.930 16.625 1.00 35.94 C ATOM 1490 CD GLU A 178 11.591 -3.012 17.362 1.00 61.33 C ATOM 1491 OE1 GLU A 178 12.641 -3.172 16.698 1.00 67.21 O ATOM 1492 OE2 GLU A 178 11.582 -2.898 18.609 1.00 56.31 O ATOM 1493 H GLU A 178 9.295 -3.804 14.342 1.00 0.00 H ATOM 1494 N ARG A 179 7.097 -1.694 15.724 1.00 24.65 N ATOM 1495 CA ARG A 179 6.354 -0.456 16.024 1.00 24.03 C ATOM 1496 C ARG A 179 4.935 -0.477 15.450 1.00 28.22 C ATOM 1497 O ARG A 179 4.206 0.538 15.495 1.00 27.63 O ATOM 1498 CB ARG A 179 7.116 0.761 15.522 1.00 23.89 C ATOM 1499 CG ARG A 179 8.631 0.601 15.672 1.00 39.96 C ATOM 1500 CD ARG A 179 9.334 1.921 15.668 1.00 51.72 C ATOM 1501 NE ARG A 179 9.566 2.383 17.033 1.00 64.59 N ATOM 1502 CZ ARG A 179 9.922 3.622 17.340 1.00 78.39 C ATOM 1503 NH1 ARG A 179 10.069 4.531 16.387 1.00 65.06 N ATOM 1504 NH2 ARG A 179 10.120 3.967 18.604 1.00 63.97 N ATOM 1505 HE ARG A 179 9.445 1.701 17.809 1.00 0.00 H ATOM 1506 HH12 ARG A 179 10.349 5.502 16.633 1.00 0.00 H ATOM 1507 HH11 ARG A 179 9.905 4.273 15.393 1.00 0.00 H ATOM 1508 HH22 ARG A 179 10.399 4.941 18.840 1.00 0.00 H ATOM 1509 HH21 ARG A 179 9.996 3.264 19.360 1.00 0.00 H ATOM 1510 H ARG A 179 7.655 -1.718 14.847 1.00 0.00 H ATOM 1511 N LEU A 180 4.536 -1.640 14.933 1.00 23.26 N ATOM 1512 CA LEU A 180 3.187 -1.818 14.420 1.00 24.57 C ATOM 1513 C LEU A 180 2.494 -3.015 15.048 1.00 24.76 C ATOM 1514 O LEU A 180 3.126 -3.930 15.577 1.00 24.04 O ATOM 1515 CB LEU A 180 3.171 -1.946 12.882 1.00 24.94 C ATOM 1516 CG LEU A 180 3.726 -0.769 12.085 1.00 30.08 C ATOM 1517 CD1 LEU A 180 4.085 -1.198 10.682 1.00 31.30 C ATOM 1518 CD2 LEU A 180 2.746 0.393 12.054 1.00 32.53 C ATOM 1519 H LEU A 180 5.204 -2.436 14.896 1.00 0.00 H ATOM 1520 N MET A 181 1.172 -2.969 15.037 1.00 19.41 N ATOM 1521 CA MET A 181 0.335 -4.054 15.476 1.00 18.45 C ATOM 1522 C MET A 181 -0.780 -4.231 14.441 1.00 22.18 C ATOM 1523 O MET A 181 -0.999 -3.346 13.601 1.00 20.38 O ATOM 1524 CB MET A 181 -0.174 -3.865 16.910 1.00 20.16 C ATOM 1525 CG MET A 181 -1.115 -2.696 17.107 1.00 23.81 C ATOM 1526 SD MET A 181 -1.598 -2.460 18.832 1.00 26.76 S ATOM 1527 CE MET A 181 -2.490 -3.924 19.132 1.00 24.06 C ATOM 1528 H MET A 181 0.713 -2.102 14.692 1.00 0.00 H ATOM 1529 N CYS A 182 -1.428 -5.379 14.465 1.00 20.74 N ATOM 1530 CA CYS A 182 -2.487 -5.633 13.497 1.00 22.44 C ATOM 1531 C CYS A 182 -3.712 -6.156 14.139 1.00 20.41 C ATOM 1532 O CYS A 182 -3.659 -6.611 15.273 1.00 18.88 O ATOM 1533 CB CYS A 182 -1.999 -6.566 12.400 1.00 25.95 C ATOM 1534 SG CYS A 182 -0.579 -5.924 11.500 1.00 32.26 S ATOM 1535 H CYS A 182 -1.184 -6.101 15.173 1.00 0.00 H ATOM 1536 N ALA A 183 -4.845 -6.025 13.445 1.00 14.63 N ATOM 1537 CA ALA A 183 -6.107 -6.561 13.940 1.00 14.09 C ATOM 1538 C ALA A 183 -6.811 -7.183 12.776 1.00 18.15 C ATOM 1539 O ALA A 183 -6.516 -6.838 11.622 1.00 16.03 O ATOM 1540 CB ALA A 183 -6.966 -5.471 14.578 1.00 14.51 C ATOM 1541 H ALA A 183 -4.827 -5.529 12.531 1.00 0.00 H ATOM 1542 N GLU A 184 -7.746 -8.087 13.061 1.00 19.35 N ATOM 1543 CA GLU A 184 -8.525 -8.780 12.016 1.00 20.28 C ATOM 1544 C GLU A 184 -9.313 -7.785 11.173 1.00 22.40 C ATOM 1545 O GLU A 184 -9.691 -6.740 11.678 1.00 22.94 O ATOM 1546 CB GLU A 184 -9.416 -9.869 12.626 1.00 23.12 C ATOM 1547 CG GLU A 184 -8.596 -11.039 13.165 1.00 36.51 C ATOM 1548 CD GLU A 184 -9.205 -12.417 13.012 1.00 58.43 C ATOM 1549 OE1 GLU A 184 -9.441 -12.841 11.858 1.00 65.22 O ATOM 1550 OE2 GLU A 184 -9.414 -13.089 14.045 1.00 46.86 O ATOM 1551 H GLU A 184 -7.935 -8.314 14.058 1.00 0.00 H ATOM 1552 N SER A 185 -9.420 -8.044 9.848 1.00 17.43 N ATOM 1553 CA SER A 185 -10.075 -7.195 8.852 1.00 17.55 C ATOM 1554 C SER A 185 -11.120 -7.983 8.031 1.00 27.48 C ATOM 1555 O SER A 185 -11.523 -7.518 6.975 1.00 29.79 O ATOM 1556 CB SER A 185 -9.028 -6.631 7.889 1.00 19.39 C ATOM 1557 OG SER A 185 -8.206 -7.688 7.401 1.00 25.23 O ATOM 1558 HG SER A 185 -7.530 -7.319 6.779 1.00 0.00 H ATOM 1559 H SER A 185 -8.997 -8.930 9.506 1.00 0.00 H ATOM 1560 N ASN A 186 -11.552 -9.147 8.499 1.00 25.21 N ATOM 1561 CA ASN A 186 -12.532 -9.944 7.746 1.00 25.78 C ATOM 1562 C ASN A 186 -13.937 -9.396 7.939 1.00 29.79 C ATOM 1563 O ASN A 186 -14.532 -9.577 9.014 1.00 29.56 O ATOM 1564 CB ASN A 186 -12.409 -11.429 8.103 1.00 28.79 C ATOM 1565 CG ASN A 186 -13.399 -12.326 7.396 1.00 53.11 C ATOM 1566 OD1 ASN A 186 -14.196 -13.019 8.029 1.00 49.36 O ATOM 1567 ND2 ASN A 186 -13.371 -12.337 6.074 1.00 46.87 N ATOM 1568 HD22 ASN A 186 -12.688 -11.742 5.563 1.00 0.00 H ATOM 1569 HD21 ASN A 186 -14.032 -12.941 5.545 1.00 0.00 H ATOM 1570 H ASN A 186 -11.193 -9.500 9.409 1.00 0.00 H ATOM 1571 N ARG A 187 -14.428 -8.645 6.910 1.00 24.31 N ATOM 1572 CA ARG A 187 -15.728 -7.959 6.814 1.00 25.25 C ATOM 1573 C ARG A 187 -15.798 -6.692 7.675 1.00 29.98 C ATOM 1574 O ARG A 187 -16.323 -5.664 7.230 1.00 33.30 O ATOM 1575 CB ARG A 187 -16.922 -8.898 7.099 1.00 27.95 C ATOM 1576 H ARG A 187 -13.802 -8.544 6.086 1.00 0.00 H ATOM 1577 N ARG A 188 -15.280 -6.773 8.898 1.00 22.40 N ATOM 1578 CA ARG A 188 -15.238 -5.677 9.864 1.00 21.72 C ATOM 1579 C ARG A 188 -13.854 -5.066 9.791 1.00 21.93 C ATOM 1580 O ARG A 188 -12.877 -5.819 9.870 1.00 21.32 O ATOM 1581 CB ARG A 188 -15.523 -6.208 11.280 1.00 23.27 C ATOM 1582 CG ARG A 188 -16.929 -6.805 11.439 1.00 34.14 C ATOM 1583 CD ARG A 188 -16.969 -8.018 12.353 1.00 47.07 C ATOM 1584 NE ARG A 188 -16.498 -9.224 11.663 1.00 65.01 N ATOM 1585 CZ ARG A 188 -16.863 -10.470 11.962 1.00 73.83 C ATOM 1586 NH1 ARG A 188 -17.727 -10.701 12.945 1.00 53.14 N ATOM 1587 NH2 ARG A 188 -16.371 -11.494 11.277 1.00 60.60 N ATOM 1588 HE ARG A 188 -15.827 -9.096 10.879 1.00 0.00 H ATOM 1589 HH12 ARG A 188 -18.007 -11.676 13.173 1.00 0.00 H ATOM 1590 HH11 ARG A 188 -18.123 -9.906 13.487 1.00 0.00 H ATOM 1591 HH22 ARG A 188 -16.659 -12.465 11.514 1.00 0.00 H ATOM 1592 HH21 ARG A 188 -15.697 -11.326 10.503 1.00 0.00 H ATOM 1593 H ARG A 188 -14.874 -7.685 9.189 1.00 0.00 H ATOM 1594 N ASP A 189 -13.750 -3.727 9.616 1.00 17.24 N ATOM 1595 CA ASP A 189 -12.447 -3.080 9.493 1.00 17.04 C ATOM 1596 C ASP A 189 -12.513 -1.570 9.654 1.00 19.43 C ATOM 1597 O ASP A 189 -13.563 -0.953 9.462 1.00 18.25 O ATOM 1598 CB ASP A 189 -11.865 -3.381 8.082 1.00 18.05 C ATOM 1599 CG ASP A 189 -10.351 -3.285 7.890 1.00 15.95 C ATOM 1600 OD1 ASP A 189 -9.634 -3.050 8.888 1.00 14.56 O ATOM 1601 OD2 ASP A 189 -9.894 -3.460 6.734 1.00 17.05 O ATOM 1602 H ASP A 189 -14.614 -3.149 9.568 1.00 0.00 H ATOM 1603 N SER A 190 -11.346 -0.968 9.903 1.00 13.90 N ATOM 1604 CA SER A 190 -11.210 0.478 9.842 1.00 14.09 C ATOM 1605 C SER A 190 -11.073 0.787 8.329 1.00 17.49 C ATOM 1606 O SER A 190 -10.628 -0.071 7.542 1.00 17.35 O ATOM 1607 CB SER A 190 -9.940 0.910 10.566 1.00 14.17 C ATOM 1608 OG SER A 190 -8.838 0.147 10.090 1.00 16.99 O ATOM 1609 HG SER A 190 -8.015 0.429 10.561 1.00 0.00 H ATOM 1610 H SER A 190 -10.517 -1.547 10.146 1.00 0.00 H ATOM 1611 N CYS A 191 -11.472 1.980 7.902 1.00 14.13 N ATOM 1612 CA CYS A 191 -11.368 2.321 6.476 1.00 13.95 C ATOM 1613 C CYS A 191 -11.163 3.817 6.305 1.00 14.18 C ATOM 1614 O CYS A 191 -10.919 4.485 7.293 1.00 12.56 O ATOM 1615 CB CYS A 191 -12.555 1.784 5.681 1.00 15.02 C ATOM 1616 SG CYS A 191 -12.229 1.610 3.904 1.00 19.83 S ATOM 1617 H CYS A 191 -11.858 2.672 8.576 1.00 0.00 H ATOM 1618 N LYS A 192 -11.178 4.353 5.062 1.00 12.91 N ATOM 1619 CA LYS A 192 -10.907 5.773 4.806 1.00 12.75 C ATOM 1620 C LYS A 192 -11.696 6.703 5.721 1.00 15.48 C ATOM 1621 O LYS A 192 -12.925 6.620 5.775 1.00 15.20 O ATOM 1622 CB LYS A 192 -11.174 6.120 3.322 1.00 15.06 C ATOM 1623 CG LYS A 192 -10.810 7.574 2.989 1.00 14.56 C ATOM 1624 CD LYS A 192 -10.972 7.906 1.507 1.00 24.43 C ATOM 1625 CE LYS A 192 -10.694 9.380 1.354 1.00 27.47 C ATOM 1626 NZ LYS A 192 -10.192 9.712 0.004 1.00 33.93 N ATOM 1627 HZ1 LYS A 192 -9.308 9.194 -0.173 1.00 0.00 H ATOM 1628 HZ2 LYS A 192 -10.902 9.440 -0.705 1.00 0.00 H ATOM 1629 HZ3 LYS A 192 -10.014 10.735 -0.057 1.00 0.00 H ATOM 1630 H LYS A 192 -11.390 3.733 4.255 1.00 0.00 H ATOM 1631 N GLY A 193 -10.988 7.600 6.378 1.00 13.62 N ATOM 1632 CA GLY A 193 -11.562 8.542 7.324 1.00 13.91 C ATOM 1633 C GLY A 193 -11.386 8.106 8.768 1.00 13.14 C ATOM 1634 O GLY A 193 -11.601 8.912 9.681 1.00 12.30 O ATOM 1635 H GLY A 193 -9.962 7.636 6.210 1.00 0.00 H ATOM 1636 N ASP A 194 -10.959 6.846 8.983 1.00 10.40 N ATOM 1637 CA ASP A 194 -10.705 6.315 10.328 1.00 7.94 C ATOM 1638 C ASP A 194 -9.270 6.444 10.758 1.00 11.19 C ATOM 1639 O ASP A 194 -9.027 6.298 11.961 1.00 10.60 O ATOM 1640 CB ASP A 194 -11.118 4.827 10.458 1.00 8.74 C ATOM 1641 CG ASP A 194 -12.612 4.594 10.292 1.00 10.80 C ATOM 1642 OD1 ASP A 194 -13.398 5.376 10.840 1.00 13.82 O ATOM 1643 OD2 ASP A 194 -12.988 3.591 9.675 1.00 16.02 O ATOM 1644 H ASP A 194 -10.803 6.225 8.163 1.00 0.00 H ATOM 1645 N SER A 195 -8.296 6.720 9.830 1.00 9.94 N ATOM 1646 CA SER A 195 -6.906 6.849 10.303 1.00 8.92 C ATOM 1647 C SER A 195 -6.790 7.915 11.381 1.00 13.29 C ATOM 1648 O SER A 195 -7.530 8.886 11.370 1.00 14.07 O ATOM 1649 CB SER A 195 -5.933 7.148 9.167 1.00 8.30 C ATOM 1650 OG SER A 195 -5.862 6.119 8.196 1.00 3.00 O ATOM 1651 HG SER A 195 -6.756 5.985 7.793 1.00 0.00 H ATOM 1652 H SER A 195 -8.532 6.835 8.824 1.00 0.00 H ATOM 1653 N GLY A 196 -5.919 7.686 12.336 1.00 9.78 N ATOM 1654 CA GLY A 196 -5.687 8.614 13.438 1.00 9.28 C ATOM 1655 C GLY A 196 -6.563 8.328 14.631 1.00 11.93 C ATOM 1656 O GLY A 196 -6.281 8.770 15.753 1.00 10.39 O ATOM 1657 H GLY A 196 -5.370 6.803 12.306 1.00 0.00 H ATOM 1658 N GLY A 197 -7.592 7.537 14.405 1.00 10.09 N ATOM 1659 CA GLY A 197 -8.480 7.140 15.480 1.00 9.97 C ATOM 1660 C GLY A 197 -7.837 6.070 16.350 1.00 13.72 C ATOM 1661 O GLY A 197 -6.751 5.559 16.065 1.00 14.49 O ATOM 1662 H GLY A 197 -7.770 7.192 13.440 1.00 0.00 H ATOM 1663 N PRO A 198 -8.489 5.694 17.425 1.00 11.21 N ATOM 1664 CA PRO A 198 -7.830 4.791 18.374 1.00 11.37 C ATOM 1665 C PRO A 198 -8.197 3.317 18.271 1.00 13.56 C ATOM 1666 O PRO A 198 -9.284 2.970 17.847 1.00 11.24 O ATOM 1667 CB PRO A 198 -8.263 5.363 19.710 1.00 13.44 C ATOM 1668 CG PRO A 198 -9.649 5.869 19.462 1.00 17.61 C ATOM 1669 CD PRO A 198 -9.732 6.242 17.981 1.00 13.26 C ATOM 1670 N LEU A 199 -7.261 2.459 18.665 1.00 11.40 N ATOM 1671 CA LEU A 199 -7.487 1.026 18.861 1.00 12.68 C ATOM 1672 C LEU A 199 -7.373 0.900 20.378 1.00 14.50 C ATOM 1673 O LEU A 199 -6.293 1.123 20.933 1.00 14.31 O ATOM 1674 CB LEU A 199 -6.418 0.200 18.115 1.00 13.72 C ATOM 1675 CG LEU A 199 -6.374 -1.313 18.392 1.00 20.24 C ATOM 1676 CD1 LEU A 199 -7.350 -2.057 17.536 1.00 20.76 C ATOM 1677 CD2 LEU A 199 -5.026 -1.852 18.022 1.00 26.02 C ATOM 1678 H LEU A 199 -6.306 2.830 18.846 1.00 0.00 H ATOM 1679 N VAL A 200 -8.497 0.638 21.055 1.00 10.76 N ATOM 1680 CA VAL A 200 -8.597 0.696 22.517 1.00 10.75 C ATOM 1681 C VAL A 200 -8.798 -0.717 23.037 1.00 17.94 C ATOM 1682 O VAL A 200 -9.818 -1.333 22.748 1.00 15.87 O ATOM 1683 CB VAL A 200 -9.783 1.661 22.925 1.00 13.48 C ATOM 1684 CG1 VAL A 200 -9.857 1.887 24.433 1.00 11.96 C ATOM 1685 CG2 VAL A 200 -9.703 3.003 22.213 1.00 13.56 C ATOM 1686 H VAL A 200 -9.347 0.379 20.514 1.00 0.00 H ATOM 1687 N CYS A 201 -7.872 -1.191 23.887 1.00 16.09 N ATOM 1688 CA CYS A 201 -7.982 -2.551 24.436 1.00 16.82 C ATOM 1689 C CYS A 201 -8.167 -2.442 25.928 1.00 20.96 C ATOM 1690 O CYS A 201 -7.259 -1.955 26.624 1.00 17.32 O ATOM 1691 CB CYS A 201 -6.742 -3.369 24.096 1.00 17.69 C ATOM 1692 SG CYS A 201 -6.242 -3.254 22.367 1.00 21.45 S ATOM 1693 H CYS A 201 -7.069 -0.590 24.160 1.00 0.00 H ATOM 1694 N GLY A 202 -9.348 -2.848 26.394 1.00 20.37 N ATOM 1695 CA GLY A 202 -9.720 -2.788 27.809 1.00 21.10 C ATOM 1696 C GLY A 202 -9.672 -1.380 28.363 1.00 24.49 C ATOM 1697 O GLY A 202 -9.218 -1.163 29.487 1.00 25.97 O ATOM 1698 H GLY A 202 -10.041 -3.227 25.718 1.00 0.00 H ATOM 1699 N GLY A 207 -10.084 -0.416 27.545 1.00 17.37 N ATOM 1700 CA GLY A 207 -10.046 0.990 27.923 1.00 17.23 C ATOM 1701 C GLY A 207 -8.691 1.658 27.836 1.00 17.76 C ATOM 1702 O GLY A 207 -8.563 2.824 28.227 1.00 16.62 O ATOM 1703 H GLY A 207 -10.445 -0.674 26.605 1.00 0.00 H ATOM 1704 N VAL A 208 -7.654 0.958 27.284 1.00 12.58 N ATOM 1705 CA VAL A 208 -6.313 1.576 27.194 1.00 11.42 C ATOM 1706 C VAL A 208 -6.000 1.823 25.736 1.00 14.03 C ATOM 1707 O VAL A 208 -6.178 0.909 24.921 1.00 14.38 O ATOM 1708 CB VAL A 208 -5.218 0.639 27.797 1.00 15.51 C ATOM 1709 CG1 VAL A 208 -3.825 1.263 27.670 1.00 14.10 C ATOM 1710 CG2 VAL A 208 -5.539 0.288 29.253 1.00 16.03 C ATOM 1711 H VAL A 208 -7.808 -0.007 26.928 1.00 0.00 H ATOM 1712 N LEU A 209 -5.496 3.034 25.404 1.00 11.63 N ATOM 1713 CA LEU A 209 -5.107 3.281 24.019 1.00 11.34 C ATOM 1714 C LEU A 209 -3.866 2.432 23.701 1.00 13.87 C ATOM 1715 O LEU A 209 -2.845 2.589 24.364 1.00 14.44 O ATOM 1716 CB LEU A 209 -4.811 4.765 23.794 1.00 11.31 C ATOM 1717 CG LEU A 209 -4.289 5.115 22.393 1.00 14.92 C ATOM 1718 CD1 LEU A 209 -5.371 4.882 21.347 1.00 14.54 C ATOM 1719 CD2 LEU A 209 -3.805 6.524 22.333 1.00 14.23 C ATOM 1720 H LEU A 209 -5.388 3.777 26.124 1.00 0.00 H ATOM 1721 N GLU A 210 -3.966 1.524 22.708 1.00 12.51 N ATOM 1722 CA GLU A 210 -2.845 0.653 22.332 1.00 12.28 C ATOM 1723 C GLU A 210 -2.350 0.916 20.941 1.00 14.61 C ATOM 1724 O GLU A 210 -1.192 0.653 20.640 1.00 15.90 O ATOM 1725 CB GLU A 210 -3.221 -0.830 22.500 1.00 14.01 C ATOM 1726 CG GLU A 210 -3.461 -1.197 23.951 1.00 14.97 C ATOM 1727 CD GLU A 210 -2.239 -1.515 24.804 1.00 29.33 C ATOM 1728 OE1 GLU A 210 -1.087 -1.351 24.333 1.00 21.17 O ATOM 1729 OE2 GLU A 210 -2.443 -1.943 25.961 1.00 28.58 O ATOM 1730 H GLU A 210 -4.865 1.438 22.193 1.00 0.00 H ATOM 1731 N GLY A 211 -3.244 1.381 20.081 1.00 11.05 N ATOM 1732 CA GLY A 211 -2.877 1.642 18.707 1.00 10.58 C ATOM 1733 C GLY A 211 -3.565 2.854 18.121 1.00 12.66 C ATOM 1734 O GLY A 211 -4.583 3.332 18.640 1.00 11.01 O ATOM 1735 H GLY A 211 -4.219 1.560 20.397 1.00 0.00 H ATOM 1736 N VAL A 212 -3.015 3.329 17.028 1.00 9.58 N ATOM 1737 CA VAL A 212 -3.599 4.445 16.276 1.00 9.93 C ATOM 1738 C VAL A 212 -3.810 3.906 14.888 1.00 11.42 C ATOM 1739 O VAL A 212 -2.858 3.407 14.270 1.00 11.59 O ATOM 1740 CB VAL A 212 -2.718 5.735 16.278 1.00 12.76 C ATOM 1741 CG1 VAL A 212 -3.299 6.809 15.356 1.00 12.11 C ATOM 1742 CG2 VAL A 212 -2.539 6.280 17.693 1.00 13.38 C ATOM 1743 H VAL A 212 -2.133 2.899 16.683 1.00 0.00 H ATOM 1744 N VAL A 213 -5.038 4.024 14.380 1.00 8.93 N ATOM 1745 CA VAL A 213 -5.348 3.554 13.028 1.00 8.62 C ATOM 1746 C VAL A 213 -4.403 4.132 11.993 1.00 12.63 C ATOM 1747 O VAL A 213 -4.152 5.338 11.967 1.00 12.25 O ATOM 1748 CB VAL A 213 -6.814 3.896 12.620 1.00 10.78 C ATOM 1749 CG1 VAL A 213 -7.161 3.289 11.263 1.00 11.04 C ATOM 1750 CG2 VAL A 213 -7.807 3.426 13.661 1.00 11.46 C ATOM 1751 H VAL A 213 -5.789 4.458 14.954 1.00 0.00 H ATOM 1752 N THR A 214 -3.943 3.276 11.094 1.00 11.10 N ATOM 1753 CA THR A 214 -3.240 3.724 9.907 1.00 10.88 C ATOM 1754 C THR A 214 -3.860 3.030 8.701 1.00 15.50 C ATOM 1755 O THR A 214 -4.633 2.084 8.855 1.00 16.27 O ATOM 1756 CB THR A 214 -1.722 3.597 9.982 1.00 24.22 C ATOM 1757 OG1 THR A 214 -1.214 3.903 11.274 1.00 42.12 O ATOM 1758 CG2 THR A 214 -1.076 4.385 8.949 1.00 16.54 C ATOM 1759 HG1 THR A 214 -1.455 4.834 11.510 1.00 0.00 H ATOM 1760 H THR A 214 -4.089 2.257 11.243 1.00 0.00 H ATOM 1761 N SER A 215 -3.558 3.502 7.503 1.00 14.88 N ATOM 1762 CA SER A 215 -4.241 2.996 6.311 1.00 15.60 C ATOM 1763 C SER A 215 -3.634 1.731 5.702 1.00 21.12 C ATOM 1764 O SER A 215 -4.347 0.999 5.009 1.00 20.70 O ATOM 1765 CB SER A 215 -4.343 4.108 5.279 1.00 17.68 C ATOM 1766 OG SER A 215 -3.086 4.767 5.185 1.00 22.65 O ATOM 1767 HG SER A 215 -2.393 4.116 4.909 1.00 0.00 H ATOM 1768 H SER A 215 -2.830 4.238 7.407 1.00 0.00 H ATOM 1769 N GLY A 216 -2.346 1.473 5.965 1.00 21.02 N ATOM 1770 CA GLY A 216 -1.652 0.283 5.467 1.00 20.09 C ATOM 1771 C GLY A 216 -1.767 0.117 3.959 1.00 21.70 C ATOM 1772 O GLY A 216 -1.497 1.067 3.221 1.00 21.20 O ATOM 1773 H GLY A 216 -1.814 2.149 6.550 1.00 0.00 H ATOM 1774 N SER A 217 -2.243 -1.057 3.472 1.00 18.04 N ATOM 1775 CA SER A 217 -2.391 -1.213 2.007 1.00 17.54 C ATOM 1776 C SER A 217 -3.577 -0.430 1.413 1.00 22.48 C ATOM 1777 O SER A 217 -3.680 -0.301 0.193 1.00 23.39 O ATOM 1778 CB SER A 217 -2.513 -2.678 1.622 1.00 23.84 C ATOM 1779 OG SER A 217 -3.698 -3.215 2.178 1.00 31.51 O ATOM 1780 HG SER A 217 -3.665 -3.134 3.164 1.00 0.00 H ATOM 1781 H SER A 217 -2.499 -1.833 4.116 1.00 0.00 H ATOM 1782 N ARG A 218 -4.466 0.083 2.275 1.00 18.86 N ATOM 1783 CA ARG A 218 -5.664 0.888 1.944 1.00 18.54 C ATOM 1784 C ARG A 218 -6.842 0.048 1.436 1.00 24.29 C ATOM 1785 O ARG A 218 -7.901 0.594 1.124 1.00 23.17 O ATOM 1786 CB ARG A 218 -5.365 2.076 1.003 1.00 17.88 C ATOM 1787 CG ARG A 218 -4.454 3.085 1.627 1.00 21.57 C ATOM 1788 CD ARG A 218 -4.329 4.353 0.840 1.00 20.51 C ATOM 1789 NE ARG A 218 -3.271 5.181 1.437 1.00 24.70 N ATOM 1790 CZ ARG A 218 -2.985 6.422 1.067 1.00 35.39 C ATOM 1791 NH1 ARG A 218 -3.705 7.023 0.132 1.00 25.77 N ATOM 1792 NH2 ARG A 218 -1.988 7.078 1.645 1.00 25.42 N ATOM 1793 HE ARG A 218 -2.706 4.764 2.204 1.00 0.00 H ATOM 1794 HH12 ARG A 218 -3.477 7.996 -0.155 1.00 0.00 H ATOM 1795 HH11 ARG A 218 -4.499 6.522 -0.316 1.00 0.00 H ATOM 1796 HH22 ARG A 218 -1.767 8.051 1.352 1.00 0.00 H ATOM 1797 HH21 ARG A 218 -1.427 6.619 2.391 1.00 0.00 H ATOM 1798 H ARG A 218 -4.296 -0.104 3.284 1.00 0.00 H ATOM 1799 N VAL A 219 -6.682 -1.279 1.411 1.00 20.77 N ATOM 1800 CA VAL A 219 -7.767 -2.209 1.101 1.00 21.00 C ATOM 1801 C VAL A 219 -8.565 -2.423 2.433 1.00 23.74 C ATOM 1802 O VAL A 219 -7.980 -2.511 3.518 1.00 24.68 O ATOM 1803 CB VAL A 219 -7.251 -3.526 0.486 1.00 24.76 C ATOM 1804 CG1 VAL A 219 -6.578 -3.283 -0.857 1.00 23.20 C ATOM 1805 CG2 VAL A 219 -6.300 -4.199 1.411 1.00 25.77 C ATOM 1806 H VAL A 219 -5.741 -1.668 1.622 1.00 0.00 H ATOM 1807 N CYS A 220 -9.889 -2.423 2.370 1.00 18.76 N ATOM 1808 CA CYS A 220 -10.709 -2.544 3.599 1.00 18.07 C ATOM 1809 C CYS A 220 -11.543 -3.810 3.606 1.00 24.03 C ATOM 1810 O CYS A 220 -12.115 -4.173 2.578 1.00 23.18 O ATOM 1811 CB CYS A 220 -11.603 -1.320 3.780 1.00 17.71 C ATOM 1812 SG CYS A 220 -10.726 0.257 3.719 1.00 20.22 S ATOM 1813 H CYS A 220 -10.359 -2.337 1.446 1.00 0.00 H ATOM 1814 N GLY A 221 -11.689 -4.426 4.768 1.00 22.29 N ATOM 1815 CA GLY A 221 -12.530 -5.619 4.893 1.00 24.55 C ATOM 1816 C GLY A 221 -12.048 -6.902 4.228 1.00 31.34 C ATOM 1817 O GLY A 221 -12.818 -7.863 4.141 1.00 34.31 O ATOM 1818 H GLY A 221 -11.198 -4.057 5.607 1.00 0.00 H ATOM 1819 N ASN A 222 -10.776 -6.965 3.813 1.00 25.44 N ATOM 1820 CA ASN A 222 -10.180 -8.157 3.210 1.00 25.64 C ATOM 1821 C ASN A 222 -9.353 -8.850 4.280 1.00 28.91 C ATOM 1822 O ASN A 222 -8.388 -8.272 4.799 1.00 25.42 O ATOM 1823 CB ASN A 222 -9.274 -7.789 2.014 1.00 25.06 C ATOM 1824 CG ASN A 222 -8.708 -8.943 1.204 1.00 49.87 C ATOM 1825 OD1 ASN A 222 -8.268 -9.983 1.716 1.00 39.59 O ATOM 1826 ND2 ASN A 222 -8.674 -8.761 -0.102 1.00 43.35 N ATOM 1827 HD22 ASN A 222 -9.048 -7.882 -0.514 1.00 0.00 H ATOM 1828 HD21 ASN A 222 -8.274 -9.496 -0.719 1.00 0.00 H ATOM 1829 H ASN A 222 -10.180 -6.120 3.926 1.00 0.00 H ATOM 1830 N ARG A 223 -9.718 -10.109 4.576 1.00 26.34 N ATOM 1831 CA ARG A 223 -9.061 -10.981 5.553 1.00 25.88 C ATOM 1832 C ARG A 223 -7.568 -11.132 5.283 1.00 28.38 C ATOM 1833 O ARG A 223 -6.778 -11.175 6.219 1.00 28.27 O ATOM 1834 CB ARG A 223 -9.775 -12.341 5.592 1.00 26.18 C ATOM 1835 CG ARG A 223 -9.211 -13.376 6.581 1.00 44.39 C ATOM 1836 CD ARG A 223 -10.021 -14.672 6.605 1.00 58.18 C ATOM 1837 NE ARG A 223 -10.191 -15.266 5.273 1.00 72.66 N ATOM 1838 CZ ARG A 223 -9.613 -16.392 4.864 1.00 91.27 C ATOM 1839 NH1 ARG A 223 -9.828 -16.848 3.637 1.00 75.68 N ATOM 1840 NH2 ARG A 223 -8.813 -17.070 5.677 1.00 85.23 N ATOM 1841 HE ARG A 223 -10.809 -14.770 4.600 1.00 0.00 H ATOM 1842 HH12 ARG A 223 -9.373 -17.729 3.323 1.00 0.00 H ATOM 1843 HH11 ARG A 223 -10.451 -16.325 2.989 1.00 0.00 H ATOM 1844 HH22 ARG A 223 -8.364 -17.950 5.351 1.00 0.00 H ATOM 1845 HH21 ARG A 223 -8.635 -16.722 6.641 1.00 0.00 H ATOM 1846 H ARG A 223 -10.538 -10.498 4.068 1.00 0.00 H ATOM 1847 N LYS A 223A -7.178 -11.176 4.010 1.00 24.73 N ATOM 1848 CA LYS A 223A -5.775 -11.315 3.627 1.00 25.66 C ATOM 1849 C LYS A 223A -4.976 -10.016 3.805 1.00 28.86 C ATOM 1850 O LYS A 223A -3.754 -10.029 3.692 1.00 30.06 O ATOM 1851 CB LYS A 223A -5.635 -11.852 2.181 1.00 28.55 C ATOM 1852 CG LYS A 223A -6.546 -13.041 1.819 1.00 48.15 C ATOM 1853 CD LYS A 223A -6.018 -14.434 2.230 1.00 60.79 C ATOM 1854 CE LYS A 223A -6.662 -14.922 3.510 1.00 75.43 C ATOM 1855 NZ LYS A 223A -6.304 -16.329 3.814 1.00 85.77 N ATOM 1856 HZ1 LYS A 223A -6.622 -16.942 3.037 1.00 0.00 H ATOM 1857 HZ2 LYS A 223A -5.272 -16.408 3.919 1.00 0.00 H ATOM 1858 HZ3 LYS A 223A -6.767 -16.620 4.698 1.00 0.00 H ATOM 1859 H LYS A 223A -7.898 -11.109 3.262 1.00 0.00 H ATOM 1860 N LYS A 224 -5.654 -8.893 4.028 1.00 22.79 N ATOM 1861 CA LYS A 224 -4.998 -7.587 4.177 1.00 21.04 C ATOM 1862 C LYS A 224 -5.417 -6.978 5.533 1.00 20.44 C ATOM 1863 O LYS A 224 -6.374 -6.195 5.607 1.00 18.59 O ATOM 1864 CB LYS A 224 -5.344 -6.676 2.983 1.00 22.24 C ATOM 1865 CG LYS A 224 -4.694 -7.112 1.654 1.00 42.60 C ATOM 1866 CD LYS A 224 -3.280 -6.575 1.506 1.00 58.79 C ATOM 1867 CE LYS A 224 -2.543 -7.096 0.286 1.00 75.28 C ATOM 1868 NZ LYS A 224 -1.865 -8.377 0.585 1.00 82.38 N ATOM 1869 HZ1 LYS A 224 -1.180 -8.234 1.354 1.00 0.00 H ATOM 1870 HZ2 LYS A 224 -2.572 -9.082 0.876 1.00 0.00 H ATOM 1871 HZ3 LYS A 224 -1.369 -8.712 -0.265 1.00 0.00 H ATOM 1872 H LYS A 224 -6.690 -8.942 4.100 1.00 0.00 H ATOM 1873 N PRO A 225 -4.754 -7.409 6.633 1.00 16.60 N ATOM 1874 CA PRO A 225 -5.201 -6.986 7.973 1.00 15.02 C ATOM 1875 C PRO A 225 -4.991 -5.520 8.217 1.00 16.17 C ATOM 1876 O PRO A 225 -4.091 -4.915 7.608 1.00 15.29 O ATOM 1877 CB PRO A 225 -4.346 -7.822 8.939 1.00 16.79 C ATOM 1878 CG PRO A 225 -3.714 -8.871 8.124 1.00 22.33 C ATOM 1879 CD PRO A 225 -3.628 -8.360 6.720 1.00 17.82 C ATOM 1880 N GLY A 226 -5.829 -4.974 9.079 1.00 13.18 N ATOM 1881 CA GLY A 226 -5.730 -3.566 9.468 1.00 14.31 C ATOM 1882 C GLY A 226 -4.452 -3.362 10.259 1.00 16.59 C ATOM 1883 O GLY A 226 -4.104 -4.182 11.114 1.00 16.39 O ATOM 1884 H GLY A 226 -6.581 -5.561 9.494 1.00 0.00 H ATOM 1885 N ILE A 227 -3.738 -2.279 9.969 1.00 14.39 N ATOM 1886 CA ILE A 227 -2.465 -1.958 10.608 1.00 14.23 C ATOM 1887 C ILE A 227 -2.699 -0.771 11.510 1.00 13.85 C ATOM 1888 O ILE A 227 -3.424 0.162 11.129 1.00 11.84 O ATOM 1889 CB ILE A 227 -1.387 -1.693 9.512 1.00 17.63 C ATOM 1890 CG1 ILE A 227 -1.101 -3.004 8.717 1.00 19.83 C ATOM 1891 CG2 ILE A 227 -0.081 -1.163 10.148 1.00 19.70 C ATOM 1892 CD1 ILE A 227 -0.719 -2.820 7.289 1.00 31.42 C ATOM 1893 H ILE A 227 -4.106 -1.625 9.248 1.00 0.00 H ATOM 1894 N TYR A 228 -2.056 -0.792 12.684 1.00 10.25 N ATOM 1895 CA TYR A 228 -2.205 0.234 13.713 1.00 9.66 C ATOM 1896 C TYR A 228 -0.834 0.566 14.282 1.00 16.39 C ATOM 1897 O TYR A 228 -0.054 -0.353 14.578 1.00 14.89 O ATOM 1898 CB TYR A 228 -3.136 -0.263 14.848 1.00 10.23 C ATOM 1899 CG TYR A 228 -4.515 -0.670 14.366 1.00 11.69 C ATOM 1900 CD1 TYR A 228 -4.737 -1.926 13.802 1.00 13.53 C ATOM 1901 CD2 TYR A 228 -5.586 0.218 14.424 1.00 11.72 C ATOM 1902 CE1 TYR A 228 -5.971 -2.259 13.243 1.00 16.10 C ATOM 1903 CE2 TYR A 228 -6.845 -0.130 13.926 1.00 12.51 C ATOM 1904 CZ TYR A 228 -7.033 -1.373 13.338 1.00 18.33 C ATOM 1905 OH TYR A 228 -8.251 -1.716 12.801 1.00 19.61 O ATOM 1906 HH TYR A 228 -8.200 -2.632 12.429 1.00 0.00 H ATOM 1907 H TYR A 228 -1.412 -1.586 12.875 1.00 0.00 H ATOM 1908 N THR A 229 -0.535 1.869 14.426 1.00 14.91 N ATOM 1909 CA THR A 229 0.738 2.299 14.999 1.00 14.83 C ATOM 1910 C THR A 229 0.747 1.899 16.469 1.00 15.53 C ATOM 1911 O THR A 229 -0.207 2.203 17.164 1.00 14.05 O ATOM 1912 CB THR A 229 0.950 3.786 14.765 1.00 20.31 C ATOM 1913 OG1 THR A 229 0.768 4.044 13.364 1.00 19.06 O ATOM 1914 CG2 THR A 229 2.355 4.235 15.213 1.00 17.34 C ATOM 1915 HG1 THR A 229 -0.149 3.782 13.098 1.00 0.00 H ATOM 1916 H THR A 229 -1.225 2.586 14.123 1.00 0.00 H ATOM 1917 N ARG A 230 1.775 1.140 16.921 1.00 12.79 N ATOM 1918 CA ARG A 230 1.816 0.610 18.283 1.00 13.32 C ATOM 1919 C ARG A 230 2.283 1.721 19.203 1.00 18.66 C ATOM 1920 O ARG A 230 3.453 2.114 19.137 1.00 19.29 O ATOM 1921 CB ARG A 230 2.714 -0.650 18.348 1.00 18.98 C ATOM 1922 CG ARG A 230 2.137 -1.749 19.208 1.00 27.62 C ATOM 1923 CD ARG A 230 3.129 -2.874 19.408 1.00 30.02 C ATOM 1924 NE ARG A 230 3.502 -2.979 20.815 1.00 49.74 N ATOM 1925 CZ ARG A 230 4.725 -2.779 21.288 1.00 55.89 C ATOM 1926 NH1 ARG A 230 5.722 -2.501 20.467 1.00 28.32 N ATOM 1927 NH2 ARG A 230 4.964 -2.889 22.583 1.00 57.68 N ATOM 1928 HE ARG A 230 2.756 -3.228 21.495 1.00 0.00 H ATOM 1929 HH12 ARG A 230 6.678 -2.345 20.844 1.00 0.00 H ATOM 1930 HH11 ARG A 230 5.550 -2.438 19.443 1.00 0.00 H ATOM 1931 HH22 ARG A 230 5.924 -2.731 22.950 1.00 0.00 H ATOM 1932 HH21 ARG A 230 4.192 -3.133 23.235 1.00 0.00 H ATOM 1933 H ARG A 230 2.563 0.927 16.276 1.00 0.00 H ATOM 1934 N VAL A 231 1.346 2.315 19.979 1.00 16.52 N ATOM 1935 CA VAL A 231 1.633 3.504 20.777 1.00 17.11 C ATOM 1936 C VAL A 231 2.719 3.247 21.844 1.00 19.76 C ATOM 1937 O VAL A 231 3.532 4.136 22.064 1.00 18.13 O ATOM 1938 CB VAL A 231 0.388 4.243 21.370 1.00 23.57 C ATOM 1939 CG1 VAL A 231 -0.733 4.375 20.335 1.00 23.45 C ATOM 1940 CG2 VAL A 231 -0.134 3.573 22.622 1.00 23.96 C ATOM 1941 H VAL A 231 0.388 1.910 20.008 1.00 0.00 H ATOM 1942 N ALA A 232 2.764 2.042 22.445 1.00 18.36 N ATOM 1943 CA ALA A 232 3.766 1.680 23.464 1.00 19.42 C ATOM 1944 C ALA A 232 5.208 1.812 22.920 1.00 24.52 C ATOM 1945 O ALA A 232 6.103 2.160 23.685 1.00 25.10 O ATOM 1946 CB ALA A 232 3.511 0.276 23.979 1.00 20.19 C ATOM 1947 H ALA A 232 2.055 1.330 22.176 1.00 0.00 H ATOM 1948 N SER A 233 5.405 1.578 21.606 1.00 21.41 N ATOM 1949 CA SER A 233 6.706 1.689 20.930 1.00 21.13 C ATOM 1950 C SER A 233 7.200 3.150 20.869 1.00 24.89 C ATOM 1951 O SER A 233 8.407 3.388 20.745 1.00 25.20 O ATOM 1952 CB SER A 233 6.619 1.108 19.520 1.00 23.62 C ATOM 1953 OG SER A 233 7.907 0.953 18.950 1.00 29.99 O ATOM 1954 HG SER A 233 8.354 1.835 18.902 1.00 0.00 H ATOM 1955 H SER A 233 4.582 1.301 21.033 1.00 0.00 H ATOM 1956 N TYR A 234 6.269 4.117 20.984 1.00 20.77 N ATOM 1957 CA TYR A 234 6.532 5.555 20.915 1.00 20.75 C ATOM 1958 C TYR A 234 6.438 6.311 22.247 1.00 24.11 C ATOM 1959 O TYR A 234 6.430 7.552 22.235 1.00 22.07 O ATOM 1960 CB TYR A 234 5.582 6.170 19.869 1.00 20.72 C ATOM 1961 CG TYR A 234 5.898 5.689 18.471 1.00 21.70 C ATOM 1962 CD1 TYR A 234 6.951 6.233 17.756 1.00 25.43 C ATOM 1963 CD2 TYR A 234 5.243 4.587 17.924 1.00 21.27 C ATOM 1964 CE1 TYR A 234 7.264 5.786 16.481 1.00 27.48 C ATOM 1965 CE2 TYR A 234 5.566 4.113 16.656 1.00 20.92 C ATOM 1966 CZ TYR A 234 6.560 4.734 15.929 1.00 32.14 C ATOM 1967 OH TYR A 234 6.897 4.274 14.688 1.00 40.94 O ATOM 1968 HH TYR A 234 7.623 4.835 14.316 1.00 0.00 H ATOM 1969 H TYR A 234 5.284 3.818 21.134 1.00 0.00 H ATOM 1970 N ALA A 235 6.407 5.586 23.377 1.00 22.52 N ATOM 1971 CA ALA A 235 6.291 6.182 24.715 1.00 22.95 C ATOM 1972 C ALA A 235 7.274 7.333 24.966 1.00 24.33 C ATOM 1973 O ALA A 235 6.817 8.435 25.262 1.00 24.43 O ATOM 1974 CB ALA A 235 6.422 5.116 25.789 1.00 24.26 C ATOM 1975 H ALA A 235 6.468 4.551 23.301 1.00 0.00 H ATOM 1976 N ALA A 236 8.604 7.101 24.786 1.00 21.51 N ATOM 1977 CA ALA A 236 9.605 8.167 25.004 1.00 21.31 C ATOM 1978 C ALA A 236 9.407 9.334 24.052 1.00 26.39 C ATOM 1979 O ALA A 236 9.530 10.481 24.487 1.00 25.68 O ATOM 1980 CB ALA A 236 11.020 7.625 24.901 1.00 22.09 C ATOM 1981 H ALA A 236 8.921 6.156 24.490 1.00 0.00 H ATOM 1982 N TRP A 237 9.037 9.060 22.769 1.00 24.26 N ATOM 1983 CA TRP A 237 8.758 10.122 21.797 1.00 25.94 C ATOM 1984 C TRP A 237 7.543 10.944 22.225 1.00 28.46 C ATOM 1985 O TRP A 237 7.607 12.172 22.169 1.00 28.10 O ATOM 1986 CB TRP A 237 8.576 9.578 20.367 1.00 25.74 C ATOM 1987 CG TRP A 237 8.216 10.647 19.363 1.00 27.57 C ATOM 1988 CD1 TRP A 237 9.076 11.481 18.707 1.00 30.98 C ATOM 1989 CD2 TRP A 237 6.895 10.985 18.896 1.00 27.10 C ATOM 1990 NE1 TRP A 237 8.371 12.333 17.877 1.00 30.55 N ATOM 1991 CE2 TRP A 237 7.032 12.054 17.981 1.00 31.16 C ATOM 1992 CE3 TRP A 237 5.603 10.512 19.187 1.00 28.17 C ATOM 1993 CZ2 TRP A 237 5.924 12.646 17.344 1.00 29.99 C ATOM 1994 CZ3 TRP A 237 4.511 11.094 18.553 1.00 29.38 C ATOM 1995 CH2 TRP A 237 4.675 12.145 17.644 1.00 30.19 C ATOM 1996 HE1 TRP A 237 8.789 13.068 17.271 1.00 0.00 H ATOM 1997 H TRP A 237 8.950 8.068 22.470 1.00 0.00 H ATOM 1998 N ILE A 238 6.433 10.280 22.638 1.00 23.04 N ATOM 1999 CA ILE A 238 5.220 10.984 23.072 1.00 22.63 C ATOM 2000 C ILE A 238 5.515 11.880 24.294 1.00 28.63 C ATOM 2001 O ILE A 238 5.147 13.061 24.296 1.00 26.24 O ATOM 2002 CB ILE A 238 3.989 10.052 23.286 1.00 25.98 C ATOM 2003 CG1 ILE A 238 3.619 9.308 21.965 1.00 26.75 C ATOM 2004 CG2 ILE A 238 2.770 10.853 23.808 1.00 26.09 C ATOM 2005 CD1 ILE A 238 2.740 8.008 22.137 1.00 27.46 C ATOM 2006 H ILE A 238 6.442 9.240 22.647 1.00 0.00 H ATOM 2007 N ASP A 239 6.191 11.309 25.308 1.00 28.27 N ATOM 2008 CA ASP A 239 6.603 12.003 26.536 1.00 28.74 C ATOM 2009 C ASP A 239 7.461 13.236 26.224 1.00 34.05 C ATOM 2010 O ASP A 239 7.235 14.283 26.807 1.00 35.19 O ATOM 2011 CB ASP A 239 7.353 11.033 27.472 1.00 29.90 C ATOM 2012 CG ASP A 239 6.468 10.080 28.251 1.00 36.76 C ATOM 2013 OD1 ASP A 239 5.222 10.261 28.225 1.00 33.30 O ATOM 2014 OD2 ASP A 239 7.017 9.158 28.898 1.00 44.87 O ATOM 2015 H ASP A 239 6.440 10.303 25.216 1.00 0.00 H ATOM 2016 N SER A 240 8.400 13.112 25.271 1.00 32.61 N ATOM 2017 CA SER A 240 9.295 14.183 24.816 1.00 33.17 C ATOM 2018 C SER A 240 8.521 15.372 24.241 1.00 37.83 C ATOM 2019 O SER A 240 8.928 16.515 24.456 1.00 36.61 O ATOM 2020 CB SER A 240 10.275 13.641 23.780 1.00 37.88 C ATOM 2021 OG SER A 240 10.895 14.658 23.012 1.00 54.61 O ATOM 2022 HG SER A 240 11.516 14.246 22.361 1.00 0.00 H ATOM 2023 H SER A 240 8.501 12.181 24.819 1.00 0.00 H ATOM 2024 N VAL A 241 7.418 15.106 23.494 1.00 35.35 N ATOM 2025 CA VAL A 241 6.584 16.157 22.888 1.00 34.83 C ATOM 2026 C VAL A 241 5.641 16.768 23.937 1.00 41.68 C ATOM 2027 O VAL A 241 5.512 17.992 24.005 1.00 42.33 O ATOM 2028 CB VAL A 241 5.821 15.657 21.629 1.00 37.92 C ATOM 2029 CG1 VAL A 241 4.881 16.731 21.073 1.00 37.24 C ATOM 2030 CG2 VAL A 241 6.788 15.172 20.543 1.00 37.52 C ATOM 2031 H VAL A 241 7.150 14.113 23.343 1.00 0.00 H ATOM 2032 N LEU A 242 5.000 15.920 24.757 1.00 39.54 N ATOM 2033 CA LEU A 242 4.043 16.333 25.790 1.00 40.30 C ATOM 2034 C LEU A 242 4.673 17.188 26.914 1.00 48.12 C ATOM 2035 O LEU A 242 3.937 17.848 27.650 1.00 48.35 O ATOM 2036 CB LEU A 242 3.293 15.108 26.350 1.00 40.44 C ATOM 2037 CG LEU A 242 1.863 14.875 25.831 1.00 45.24 C ATOM 2038 CD1 LEU A 242 1.826 14.745 24.313 1.00 45.18 C ATOM 2039 CD2 LEU A 242 1.268 13.623 26.437 1.00 48.48 C ATOM 2040 H LEU A 242 5.194 14.904 24.653 1.00 0.00 H ATOM 2041 N ALA A 243 6.026 17.269 26.962 1.00 46.77 N ATOM 2042 CA ALA A 243 6.776 18.099 27.920 1.00 47.33 C ATOM 2043 C ALA A 243 7.145 19.467 27.312 1.00 52.86 C ATOM 2044 O ALA A 243 7.374 20.421 28.061 1.00 53.31 O ATOM 2045 CB ALA A 243 8.029 17.373 28.388 1.00 48.14 C ATOM 2046 H ALA A 243 6.570 16.707 26.276 1.00 0.00 H ATOM 2047 N SER A 244 7.159 19.571 25.960 1.00 49.56 N ATOM 2048 CA SER A 244 7.454 20.809 25.226 1.00 49.10 C ATOM 2049 C SER A 244 6.283 21.816 25.254 1.00 51.45 C ATOM 2050 O SER A 244 6.340 22.853 24.577 1.00 50.41 O ATOM 2051 CB SER A 244 7.889 20.501 23.794 1.00 53.30 C ATOM 2052 OG SER A 244 6.802 20.102 22.978 1.00 60.79 O ATOM 2053 HG SER A 244 6.389 19.286 23.357 1.00 0.00 H ATOM 2054 H SER A 244 6.947 18.717 25.406 1.00 0.00 H ATOM 2055 N ALA A 245 5.236 21.514 26.058 1.00 47.08 N ATOM 2056 CA ALA A 245 4.048 22.349 26.250 1.00 69.96 C ATOM 2057 C ALA A 245 4.105 23.050 27.605 1.00102.48 C ATOM 2058 O ALA A 245 4.857 24.005 27.779 1.00 65.26 O ATOM 2059 CB ALA A 245 2.794 21.497 26.167 1.00 70.64 C ATOM 2060 H ALA A 245 5.279 20.616 26.582 1.00 0.00 H TER 2061 ALA A 245 HETATM 2062 O HOH 1 -2.372 -14.106 14.723 1.00 24.44 O HETATM 2063 O HOH 2 2.168 11.365 4.295 1.00 34.55 O HETATM 2064 O HOH 3 2.925 3.762 11.761 1.00 21.87 O HETATM 2065 O HOH 4 -18.371 10.095 0.444 1.00 30.67 O HETATM 2066 O HOH 5 -1.110 5.902 13.073 1.00 26.33 O HETATM 2067 O HOH 6 -17.343 4.938 10.510 1.00 13.93 O HETATM 2068 O HOH 7 -16.963 11.852 21.145 1.00 21.70 O HETATM 2069 O HOH 8 4.984 2.925 13.406 1.00 30.01 O HETATM 2070 O HOH 9 -5.428 -2.862 4.237 1.00 35.51 O HETATM 2071 O HOH 10 0.683 -0.192 22.352 1.00 21.53 O HETATM 2072 O HOH 11 -12.551 3.008 20.422 1.00 23.62 O HETATM 2073 O HOH 12 -25.103 5.590 12.375 1.00 32.41 O HETATM 2074 O HOH 13 -19.869 0.625 10.550 1.00 29.95 O HETATM 2075 O HOH 14 -11.128 22.937 10.175 1.00 27.73 O HETATM 2076 O HOH 15 -18.526 12.737 23.179 1.00 16.73 O HETATM 2077 O HOH 16 2.758 -16.037 13.253 1.00 30.68 O HETATM 2078 O HOH 17 -8.496 -3.996 11.147 1.00 15.35 O HETATM 2079 O HOH 18 -1.156 3.907 3.503 1.00 27.61 O HETATM 2080 O HOH 19 -7.219 -3.694 6.425 1.00 22.18 O HETATM 2081 O HOH 20 -14.744 13.794 22.363 1.00 22.64 O HETATM 2082 O HOH 21 -4.694 -3.002 27.031 1.00 25.07 O HETATM 2083 O HOH 22 -1.603 9.294 -0.041 1.00 39.19 O HETATM 2084 O HOH 23 -8.530 -5.332 4.208 1.00 24.39 O HETATM 2085 O HOH 24 -18.061 10.991 8.054 1.00 20.44 O HETATM 2086 O HOH 25 -6.086 0.050 10.526 1.00 31.77 O HETATM 2087 O HOH 26 -11.101 7.043 13.658 1.00 10.86 O HETATM 2088 O HOH 27 -10.747 8.013 29.890 1.00 35.54 O HETATM 2089 O HOH 28 -4.996 -0.519 8.068 1.00 21.77 O HETATM 2090 O HOH 29 2.231 1.390 30.738 1.00 22.70 O HETATM 2091 O HOH 30 -2.179 1.235 -1.555 1.00 32.30 O HETATM 2092 O HOH 31 -12.622 8.967 12.283 1.00 11.03 O HETATM 2093 O HOH 32 -24.262 0.307 2.086 1.00 43.94 O HETATM 2094 O HOH 33 -12.868 28.479 14.272 1.00 42.90 O HETATM 2095 O HOH 34 -16.561 19.003 28.286 1.00 33.80 O HETATM 2096 O HOH 35 -12.342 7.704 32.424 1.00 32.08 O HETATM 2097 O HOH 36 -11.690 -0.897 25.260 1.00 22.15 O HETATM 2098 O HOH 37 -22.807 0.004 20.149 1.00 40.19 O HETATM 2099 O HOH 38 -15.476 14.523 18.886 1.00 16.46 O HETATM 2100 O HOH 39 -1.938 18.996 27.762 1.00 33.22 O HETATM 2101 O HOH 40 -0.009 3.015 6.631 1.00 34.28 O HETATM 2102 O HOH 41 -3.971 -2.298 6.311 1.00 26.74 O HETATM 2103 O HOH 42 -10.806 4.430 29.316 1.00 36.13 O HETATM 2104 O HOH 43 -18.386 9.047 21.682 1.00 9.59 O HETATM 2105 O HOH 44 -2.544 8.753 31.073 1.00 32.43 O HETATM 2106 O HOH 45 3.240 -10.550 18.071 1.00 38.35 O HETATM 2107 O HOH 46 -18.355 16.984 28.608 1.00 21.06 O HETATM 2108 O HOH 47 7.049 21.365 17.639 1.00 23.93 O HETATM 2109 O HOH 48 -19.230 -2.635 1.580 1.00 33.44 O HETATM 2110 C1 J A 7 -7.475 6.002 2.226 1.00 0.06 C HETATM 2111 C2 J A 7 -7.370 5.284 3.445 1.00 -0.03 C HETATM 2112 C3 J A 7 -7.874 3.982 3.582 1.00 -0.01 C HETATM 2113 C19 J A 7 -7.828 3.266 4.903 1.00 -0.02 C HETATM 2114 C21 J A 7 -7.797 1.853 4.958 1.00 -0.05 C HETATM 2115 C22 J A 7 -7.813 1.137 6.169 1.00 0.00 C HETATM 2116 C23 J A 7 -7.815 1.860 7.367 1.00 -0.06 C HETATM 2117 C24 J A 7 -7.837 3.273 7.354 1.00 -0.07 C HETATM 2118 C25 J A 7 -7.890 3.981 6.132 1.00 -0.06 C HETATM 2119 H11 J A 7 -7.977 5.061 6.131 1.00 0.06 H HETATM 2120 H10 J A 7 -7.813 3.819 8.290 1.00 0.06 H HETATM 2121 H9 J A 7 -7.800 1.332 8.313 1.00 0.06 H HETATM 2122 C26 J A 7 -7.733 -0.409 6.147 1.00 -0.00 C HETATM 2123 N27 J A 7 -7.752 -0.992 7.522 1.00 0.23 N HETATM 2124 H18 J A 7 -7.698 -1.997 7.462 1.00 0.20 H HETATM 2125 H19 J A 7 -8.607 -0.729 7.987 1.00 0.20 H HETATM 2126 H20 J A 7 -6.964 -0.644 8.045 1.00 0.20 H HETATM 2127 H12 J A 7 -6.800 -0.709 5.647 1.00 0.10 H HETATM 2128 H13 J A 7 -8.593 -0.801 5.584 1.00 0.10 H HETATM 2129 H8 J A 7 -7.759 1.298 4.027 1.00 0.06 H HETATM 2130 C4 J A 7 -8.495 3.396 2.465 1.00 -0.05 C HETATM 2131 C5 J A 7 -8.554 4.061 1.217 1.00 -0.06 C HETATM 2132 C6 J A 7 -8.044 5.368 1.097 1.00 -0.04 C HETATM 2133 H16 J A 7 -8.087 5.885 0.145 1.00 0.07 H HETATM 2134 H15 J A 7 -8.990 3.566 0.357 1.00 0.06 H HETATM 2135 H14 J A 7 -8.939 2.412 2.562 1.00 0.07 H HETATM 2136 H1 J A 7 -6.887 5.754 4.294 1.00 0.07 H HETATM 2137 C7 J A 7 -6.957 7.422 2.183 1.00 0.23 C HETATM 2138 N8 J A 7 -6.563 7.995 3.335 1.00 -0.24 N HETATM 2139 C9 J A 7 -6.122 9.326 3.575 1.00 0.07 C HETATM 2140 C14 J A 7 -5.110 9.925 2.790 1.00 -0.05 C HETATM 2141 C13 J A 7 -4.674 11.237 3.089 1.00 -0.08 C HETATM 2142 C12 J A 7 -5.240 11.945 4.168 1.00 -0.08 C HETATM 2143 C11 J A 7 -6.250 11.339 4.946 1.00 -0.07 C HETATM 2144 C10 J A 7 -6.656 10.021 4.679 1.00 -0.01 C HETATM 2145 C15 J A 7 -7.802 9.442 5.534 1.00 0.03 C HETATM 2146 C16 J A 7 -7.443 8.120 6.164 1.00 0.04 C HETATM 2147 O17 J A 7 -6.398 7.526 5.992 1.00 -0.57 O HETATM 2148 O18 J A 7 -8.355 7.606 6.971 1.00 -0.57 O HETATM 2149 H6 J A 7 -8.043 10.159 6.332 1.00 0.06 H HETATM 2150 H7 J A 7 -8.683 9.299 4.892 1.00 0.06 H HETATM 2151 H2 J A 7 -6.715 11.893 5.753 1.00 0.05 H HETATM 2152 H3 J A 7 -4.902 12.949 4.399 1.00 0.05 H HETATM 2153 H4 J A 7 -3.901 11.700 2.486 1.00 0.05 H HETATM 2154 H5 J A 7 -4.670 9.381 1.962 1.00 0.05 H HETATM 2155 H17 J A 7 -6.583 7.399 4.138 1.00 0.22 H HETATM 2156 O20 J A 7 -6.933 8.026 1.120 1.00 -0.37 O CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 223 222 357 CONECT 357 223 356 CONECT 1105 1104 1692 CONECT 1392 1391 1534 CONECT 1534 1392 1533 CONECT 1616 1615 1812 CONECT 1692 1105 1691 CONECT 1812 1616 1811 CONECT 2110 2111 2132 2137 CONECT 2111 2110 2112 2136 CONECT 2112 2111 2113 2130 CONECT 2113 2112 2114 2118 CONECT 2114 2113 2115 2129 CONECT 2115 2114 2116 2122 CONECT 2116 2115 2117 2121 CONECT 2117 2116 2118 2120 CONECT 2118 2113 2117 2119 CONECT 2119 2118 CONECT 2120 2117 CONECT 2121 2116 CONECT 2122 2115 2123 2127 2128 CONECT 2123 2122 2124 2125 2126 CONECT 2124 2123 CONECT 2125 2123 CONECT 2126 2123 CONECT 2127 2122 CONECT 2128 2122 CONECT 2129 2114 CONECT 2130 2112 2131 2135 CONECT 2131 2130 2132 2134 CONECT 2132 2110 2131 2133 CONECT 2133 2132 CONECT 2134 2131 CONECT 2135 2130 CONECT 2136 2111 CONECT 2137 2110 2138 2156 CONECT 2138 2137 2139 2155 CONECT 2139 2138 2140 2144 CONECT 2140 2139 2141 2154 CONECT 2141 2140 2142 2153 CONECT 2142 2141 2143 2152 CONECT 2143 2142 2144 2151 CONECT 2144 2139 2143 2145 CONECT 2145 2144 2146 2149 2150 CONECT 2146 2145 2147 2148 CONECT 2147 2146 CONECT 2148 2146 CONECT 2149 2145 CONECT 2150 2145 CONECT 2151 2143 CONECT 2152 2142 CONECT 2153 2141 CONECT 2154 2140 CONECT 2155 2138 CONECT 2156 2137 MASTER 0 0 0 0 0 0 0 0 2155 1 59 18 END
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Related entries of code: 6qmt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1bio
RCSB PDB
PDBbind
228aa, >1BIO_1|Chain... at 100%
5fbe
RCSB PDB
PDBbind
232aa, >5FBE_1|Chain... at 99%
5fbi
RCSB PDB
PDBbind
232aa, >5FBI_1|Chain... at 99%
5fck
RCSB PDB
PDBbind
232aa, >5FCK_1|Chain... at 99%
5mt0
RCSB PDB
PDBbind
232aa, >5MT0_1|Chain... at 99%
5mt4
RCSB PDB
PDBbind
232aa, >5MT4_1|Chain... at 99%
5nar
RCSB PDB
PDBbind
232aa, >5NAR_1|Chain... at 99%
5naw
RCSB PDB
PDBbind
232aa, >5NAW_1|Chain... at 99%
5nb6
RCSB PDB
PDBbind
232aa, >5NB6_1|Chain... at 99%
5nb7
RCSB PDB
PDBbind
230aa, >5NB7_1|Chain... at 100%
5nba
RCSB PDB
PDBbind
230aa, >5NBA_1|Chain... at 100%
5tca
RCSB PDB
PDBbind
228aa, >5TCA_1|Chains... at 100%
5tcc
RCSB PDB
PDBbind
228aa, >5TCC_1|Chains... at 100%
6fty
RCSB PDB
PDBbind
232aa, >6FTY_1|Chain... at 99%
6ftz
RCSB PDB
PDBbind
232aa, >6FTZ_1|Chain... at 99%
6fug
RCSB PDB
PDBbind
232aa, >6FUG_1|Chains... at 99%
6fuh
RCSB PDB
PDBbind
232aa, >6FUH_1|Chain... at 99%
6fui
RCSB PDB
PDBbind
232aa, >6FUI_1|Chain... at 99%
6fuj
RCSB PDB
PDBbind
232aa, >6FUJ_1|Chains... at 99%
6fut
RCSB PDB
PDBbind
232aa, >6FUT_1|Chain... at 99%
6qmr
RCSB PDB
PDBbind
254aa, >6QMR_1|Chains... *
5nat
RCSB PDB
PDBbind
232aa, >5NAT_1|Chain... at 99%
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
6qmt
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Complement factor D
Ligand Name
J7B
EC.Number
E.C.3.4.21.46
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=0.120uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 4656-4668
Ligand Properties
Formula
C
2
2
H
2
1
N
2
O
3
Molecular Weight
361.414
Exact Mass
361.155
No. of atoms
48
No. of bonds
50
Polar Surface Area
94.04
LOGP Value
1.87 (
Computed with XLOGP3
)
3.05 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
[NH3+]Cc1cccc(c1)c1cccc(c1)C(=O)Nc1ccccc1CC(=O)O
InChI String
InChI=1S/C22H20N2O3/c23-14-15-5-3-7-16(11-15)17-8-4-9-19(12-17)22(27)24-20-10-2-1-6-18(20)13-21(25)26/h1-12H,13-14,23H2,(H,24,27)(H,25,26)/p+1
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):
P00746
Entrez Gene ID
NCBI Entrez Gene ID:
1675
ASD
Information of known allosteric effects of PDB entries
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