Browse entries in the PDBbind-CN Database
HEADER 5X9P_COMPLEX COMPND 5X9P_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 131 ASN LEU TYR PHE GLN GLY ALA ASP SER CYS ILE GLN PHE SEQRES 2 A 131 THR ARG HIS ALA SER ASP VAL LEU LEU ASN LEU ASN ARG SEQRES 3 A 131 LEU ARG SER ARG ASP ILE LEU THR ASP VAL VAL ILE VAL SEQRES 4 A 131 VAL SER ARG GLU GLN PHE ARG ALA HIS LYS THR VAL LEU SEQRES 5 A 131 MET ALA CYS SER GLY LEU PHE TYR SER ILE PHE THR ASP SEQRES 6 A 131 GLN LEU LYS CYS ASN LEU SER VAL ILE ASN LEU ASP PRO SEQRES 7 A 131 GLU ILE ASN PRO GLU GLY PHE CYS ILE LEU LEU ASP PHE SEQRES 8 A 131 MET TYR THR SER ARG LEU ASN LEU ARG GLU GLY ASN ILE SEQRES 9 A 131 MET ALA VAL MET ALA THR ALA MET TYR LEU GLN MET GLU SEQRES 10 A 131 HIS VAL VAL ASP THR CYS ARG LYS PHE ILE LYS ALA SER SEQRES 11 A 131 GLU HET UNN A 188 40 ATOM 1 N ASN A -1 51.754 -17.505 -17.907 1.00 65.97 N ATOM 2 CA ASN A -1 52.078 -18.927 -18.204 1.00 65.04 C ATOM 3 C ASN A -1 51.046 -19.556 -19.155 1.00 61.56 C ATOM 4 O ASN A -1 49.830 -19.567 -18.882 1.00 59.12 O ATOM 5 CB ASN A -1 52.166 -19.761 -16.921 1.00 68.16 C ATOM 6 CG ASN A -1 52.983 -21.038 -17.109 1.00 70.23 C ATOM 7 OD1 ASN A -1 54.158 -20.987 -17.504 1.00 74.50 O ATOM 8 ND2 ASN A -1 52.368 -22.189 -16.832 1.00 64.72 N ATOM 9 HD22 ASN A -1 51.381 -22.185 -16.503 1.00 0.00 H ATOM 10 HD21 ASN A -1 52.875 -23.090 -16.945 1.00 0.00 H ATOM 11 HN3 ASN A -1 50.817 -17.451 -17.458 1.00 0.00 H ATOM 12 HN2 ASN A -1 51.748 -16.960 -18.793 1.00 0.00 H ATOM 13 HN1 ASN A -1 52.471 -17.114 -17.263 1.00 0.00 H ATOM 14 N LEU A 0 51.555 -20.091 -20.259 1.00 55.46 N ATOM 15 CA LEU A 0 50.736 -20.727 -21.274 1.00 53.36 C ATOM 16 C LEU A 0 51.463 -21.967 -21.772 1.00 50.88 C ATOM 17 O LEU A 0 52.669 -22.106 -21.549 1.00 50.96 O ATOM 18 CB LEU A 0 50.412 -19.743 -22.402 1.00 54.65 C ATOM 19 CG LEU A 0 51.621 -19.176 -23.165 1.00 58.53 C ATOM 20 CD1 LEU A 0 51.887 -19.935 -24.465 1.00 60.32 C ATOM 21 CD2 LEU A 0 51.460 -17.697 -23.470 1.00 59.26 C ATOM 22 H LEU A 0 52.584 -20.052 -20.402 1.00 0.00 H ATOM 23 N TYR A 1 50.724 -22.894 -22.382 1.00 46.21 N ATOM 24 CA TYR A 1 51.313 -24.112 -22.960 1.00 46.58 C ATOM 25 C TYR A 1 50.428 -24.638 -24.083 1.00 46.14 C ATOM 26 O TYR A 1 49.307 -24.154 -24.248 1.00 41.20 O ATOM 27 CB TYR A 1 51.529 -25.192 -21.878 1.00 45.76 C ATOM 28 CG TYR A 1 50.262 -25.741 -21.277 1.00 43.41 C ATOM 29 CD1 TYR A 1 49.610 -26.835 -21.847 1.00 42.70 C ATOM 30 CD2 TYR A 1 49.718 -25.175 -20.124 1.00 43.00 C ATOM 31 CE1 TYR A 1 48.439 -27.342 -21.296 1.00 44.43 C ATOM 32 CE2 TYR A 1 48.546 -25.675 -19.555 1.00 43.59 C ATOM 33 CZ TYR A 1 47.912 -26.760 -20.143 1.00 44.49 C ATOM 34 OH TYR A 1 46.749 -27.273 -19.587 1.00 48.68 O ATOM 35 HH TYR A 1 46.053 -26.569 -19.573 1.00 0.00 H ATOM 36 H TYR A 1 49.696 -22.751 -22.452 1.00 0.00 H ATOM 37 N PHE A 2 50.943 -25.587 -24.872 1.00 46.62 N ATOM 38 CA PHE A 2 50.175 -26.236 -25.976 1.00 49.01 C ATOM 39 C PHE A 2 49.544 -27.561 -25.603 1.00 52.03 C ATOM 40 O PHE A 2 50.122 -28.286 -24.805 1.00 49.30 O ATOM 41 CB PHE A 2 51.097 -26.473 -27.170 1.00 50.50 C ATOM 42 CG PHE A 2 51.660 -25.214 -27.698 1.00 52.27 C ATOM 43 CD1 PHE A 2 50.882 -24.396 -28.488 1.00 51.13 C ATOM 44 CD2 PHE A 2 52.914 -24.787 -27.315 1.00 53.27 C ATOM 45 CE1 PHE A 2 51.355 -23.185 -28.933 1.00 53.18 C ATOM 46 CE2 PHE A 2 53.399 -23.571 -27.770 1.00 55.47 C ATOM 47 CZ PHE A 2 52.619 -22.772 -28.575 1.00 54.38 C ATOM 48 H PHE A 2 51.925 -25.887 -24.709 1.00 0.00 H ATOM 49 N GLN A 3 48.403 -27.905 -26.233 1.00 55.61 N ATOM 50 CA GLN A 3 47.727 -29.212 -26.022 1.00 58.51 C ATOM 51 C GLN A 3 46.719 -29.614 -27.117 1.00 60.95 C ATOM 52 O GLN A 3 46.162 -28.763 -27.816 1.00 63.11 O ATOM 53 CB GLN A 3 46.999 -29.196 -24.671 1.00 59.98 C ATOM 54 CG GLN A 3 46.681 -30.566 -24.071 1.00 62.86 C ATOM 55 CD GLN A 3 46.386 -30.489 -22.569 1.00 64.25 C ATOM 56 OE1 GLN A 3 46.870 -31.303 -21.751 1.00 66.36 O ATOM 57 NE2 GLN A 3 45.607 -29.493 -22.193 1.00 65.63 N ATOM 58 HE22 GLN A 3 45.223 -28.836 -22.903 1.00 0.00 H ATOM 59 HE21 GLN A 3 45.376 -29.364 -21.187 1.00 0.00 H ATOM 60 H GLN A 3 47.977 -27.226 -26.896 1.00 0.00 H ATOM 61 N GLY A 4 46.470 -30.919 -27.234 1.00 65.90 N ATOM 62 CA GLY A 4 45.503 -31.464 -28.193 1.00 69.86 C ATOM 63 C GLY A 4 46.023 -31.552 -29.623 1.00 73.14 C ATOM 64 O GLY A 4 47.064 -30.970 -29.954 1.00 72.45 O ATOM 65 H GLY A 4 46.985 -31.580 -26.618 1.00 0.00 H ATOM 66 N ALA A 5 45.296 -32.272 -30.481 1.00 76.58 N ATOM 67 CA ALA A 5 45.615 -32.338 -31.924 1.00 79.70 C ATOM 68 C ALA A 5 45.493 -30.962 -32.596 1.00 80.54 C ATOM 69 O ALA A 5 46.094 -30.715 -33.642 1.00 82.45 O ATOM 70 CB ALA A 5 44.724 -33.357 -32.626 1.00 80.81 C ATOM 71 H ALA A 5 44.478 -32.804 -30.123 1.00 0.00 H ATOM 72 N ASP A 6 44.677 -30.098 -31.988 1.00 80.97 N ATOM 73 CA ASP A 6 44.705 -28.640 -32.188 1.00 79.84 C ATOM 74 C ASP A 6 46.092 -27.989 -32.058 1.00 74.56 C ATOM 75 O ASP A 6 46.395 -27.036 -32.769 1.00 70.46 O ATOM 76 CB ASP A 6 43.824 -27.961 -31.117 1.00 80.84 C ATOM 77 CG ASP A 6 42.352 -27.978 -31.454 1.00 82.95 C ATOM 78 OD1 ASP A 6 41.918 -27.103 -32.231 1.00 81.94 O ATOM 79 OD2 ASP A 6 41.624 -28.836 -30.909 1.00 85.93 O ATOM 80 H ASP A 6 43.972 -30.482 -31.327 1.00 0.00 H ATOM 81 N SER A 7 46.900 -28.484 -31.117 1.00 70.22 N ATOM 82 CA SER A 7 47.961 -27.697 -30.467 1.00 65.86 C ATOM 83 C SER A 7 47.445 -26.293 -30.070 1.00 61.55 C ATOM 84 O SER A 7 48.096 -25.274 -30.322 1.00 61.44 O ATOM 85 CB SER A 7 49.253 -27.656 -31.305 1.00 63.43 C ATOM 86 OG SER A 7 49.150 -26.853 -32.466 1.00 61.96 O ATOM 87 HG SER A 7 48.431 -27.206 -33.047 1.00 0.00 H ATOM 88 H SER A 7 46.773 -29.475 -30.829 1.00 0.00 H ATOM 89 N CYS A 8 46.269 -26.279 -29.432 1.00 58.84 N ATOM 90 CA CYS A 8 45.633 -25.056 -28.921 1.00 54.56 C ATOM 91 C CYS A 8 46.410 -24.463 -27.741 1.00 48.83 C ATOM 92 O CYS A 8 46.945 -25.215 -26.930 1.00 47.67 O ATOM 93 CB CYS A 8 44.228 -25.391 -28.446 1.00 58.51 C ATOM 94 SG CYS A 8 43.181 -23.950 -28.358 1.00 61.97 S ATOM 95 H CYS A 8 45.777 -27.184 -29.290 1.00 0.00 H ATOM 96 N ILE A 9 46.447 -23.135 -27.622 1.00 42.39 N ATOM 97 CA ILE A 9 47.156 -22.498 -26.521 1.00 41.79 C ATOM 98 C ILE A 9 46.257 -22.596 -25.270 1.00 40.33 C ATOM 99 O ILE A 9 45.088 -22.221 -25.338 1.00 38.76 O ATOM 100 CB ILE A 9 47.489 -21.021 -26.821 1.00 42.05 C ATOM 101 CG1 ILE A 9 48.385 -20.923 -28.071 1.00 45.66 C ATOM 102 CG2 ILE A 9 48.213 -20.389 -25.630 1.00 42.45 C ATOM 103 CD1 ILE A 9 48.591 -19.516 -28.572 1.00 47.60 C ATOM 104 H ILE A 9 45.961 -22.545 -28.327 1.00 0.00 H ATOM 105 N GLN A 10 46.782 -23.138 -24.173 1.00 40.54 N ATOM 106 CA GLN A 10 46.069 -23.135 -22.889 1.00 41.86 C ATOM 107 C GLN A 10 46.764 -22.229 -21.902 1.00 40.12 C ATOM 108 O GLN A 10 47.996 -22.220 -21.825 1.00 38.39 O ATOM 109 CB GLN A 10 46.005 -24.516 -22.282 1.00 45.86 C ATOM 110 CG GLN A 10 45.326 -25.538 -23.168 1.00 50.71 C ATOM 111 CD GLN A 10 44.312 -26.360 -22.410 1.00 54.80 C ATOM 112 OE1 GLN A 10 43.292 -26.748 -22.967 1.00 63.62 O ATOM 113 NE2 GLN A 10 44.563 -26.596 -21.127 1.00 55.10 N ATOM 114 HE22 GLN A 10 45.443 -26.247 -20.696 1.00 0.00 H ATOM 115 HE21 GLN A 10 43.880 -27.130 -20.553 1.00 0.00 H ATOM 116 H GLN A 10 47.724 -23.576 -24.227 1.00 0.00 H ATOM 117 N PHE A 11 45.960 -21.480 -21.140 1.00 38.19 N ATOM 118 CA PHE A 11 46.472 -20.588 -20.106 1.00 38.92 C ATOM 119 C PHE A 11 46.348 -21.301 -18.767 1.00 37.86 C ATOM 120 O PHE A 11 45.236 -21.556 -18.288 1.00 36.36 O ATOM 121 CB PHE A 11 45.702 -19.268 -20.110 1.00 39.92 C ATOM 122 CG PHE A 11 46.116 -18.334 -21.207 1.00 41.88 C ATOM 123 CD1 PHE A 11 45.979 -18.696 -22.538 1.00 42.22 C ATOM 124 CD2 PHE A 11 46.642 -17.095 -20.910 1.00 44.65 C ATOM 125 CE1 PHE A 11 46.358 -17.835 -23.551 1.00 42.84 C ATOM 126 CE2 PHE A 11 47.019 -16.221 -21.922 1.00 45.61 C ATOM 127 CZ PHE A 11 46.877 -16.594 -23.241 1.00 44.21 C ATOM 128 H PHE A 11 44.932 -21.536 -21.290 1.00 0.00 H ATOM 129 N THR A 12 47.496 -21.637 -18.180 1.00 38.99 N ATOM 130 CA THR A 12 47.577 -22.428 -16.965 1.00 40.24 C ATOM 131 C THR A 12 46.748 -21.890 -15.799 1.00 40.03 C ATOM 132 O THR A 12 46.085 -22.663 -15.108 1.00 38.91 O ATOM 133 CB THR A 12 49.049 -22.541 -16.503 1.00 43.23 C ATOM 134 OG1 THR A 12 49.828 -23.049 -17.585 1.00 44.74 O ATOM 135 CG2 THR A 12 49.185 -23.472 -15.315 1.00 45.47 C ATOM 136 HG1 THR A 12 50.773 -23.126 -17.302 1.00 0.00 H ATOM 137 H THR A 12 48.383 -21.315 -18.616 1.00 0.00 H ATOM 138 N ARG A 13 46.800 -20.580 -15.580 1.00 37.94 N ATOM 139 CA ARG A 13 46.183 -19.977 -14.401 1.00 39.41 C ATOM 140 C ARG A 13 44.792 -19.393 -14.694 1.00 36.56 C ATOM 141 O ARG A 13 44.212 -18.802 -13.789 1.00 35.94 O ATOM 142 CB ARG A 13 47.080 -18.874 -13.804 1.00 42.92 C ATOM 143 CG ARG A 13 48.416 -19.342 -13.249 1.00 47.93 C ATOM 144 CD ARG A 13 48.332 -19.976 -11.875 1.00 50.99 C ATOM 145 NE ARG A 13 49.636 -20.581 -11.598 1.00 55.86 N ATOM 146 CZ ARG A 13 49.940 -21.883 -11.609 1.00 56.52 C ATOM 147 NH1 ARG A 13 49.030 -22.828 -11.819 1.00 54.27 N ATOM 148 NH2 ARG A 13 51.203 -22.239 -11.384 1.00 60.45 N ATOM 149 HE ARG A 13 50.411 -19.926 -11.367 1.00 0.00 H ATOM 150 HH12 ARG A 13 49.311 -23.829 -11.819 1.00 0.00 H ATOM 151 HH11 ARG A 13 48.037 -22.566 -11.983 1.00 0.00 H ATOM 152 HH22 ARG A 13 51.468 -23.245 -11.387 1.00 0.00 H ATOM 153 HH21 ARG A 13 51.924 -21.511 -11.206 1.00 0.00 H ATOM 154 H ARG A 13 47.291 -19.970 -16.264 1.00 0.00 H ATOM 155 N HIS A 14 44.265 -19.563 -15.912 1.00 34.51 N ATOM 156 CA HIS A 14 43.047 -18.887 -16.297 1.00 33.33 C ATOM 157 C HIS A 14 41.882 -19.335 -15.426 1.00 32.39 C ATOM 158 O HIS A 14 41.198 -18.479 -14.874 1.00 31.07 O ATOM 159 CB HIS A 14 42.687 -19.070 -17.763 1.00 33.51 C ATOM 160 CG HIS A 14 41.380 -18.443 -18.128 1.00 32.93 C ATOM 161 ND1 HIS A 14 41.221 -17.075 -18.269 1.00 32.24 N ATOM 162 CD2 HIS A 14 40.161 -18.993 -18.354 1.00 32.40 C ATOM 163 CE1 HIS A 14 39.962 -16.820 -18.583 1.00 33.00 C ATOM 164 NE2 HIS A 14 39.296 -17.963 -18.640 1.00 31.93 N ATOM 165 H HIS A 14 44.739 -20.191 -16.592 1.00 0.00 H ATOM 166 N ALA A 15 41.682 -20.651 -15.259 1.00 31.66 N ATOM 167 CA ALA A 15 40.511 -21.111 -14.510 1.00 31.52 C ATOM 168 C ALA A 15 40.547 -20.665 -13.041 1.00 31.21 C ATOM 169 O ALA A 15 39.524 -20.213 -12.493 1.00 29.95 O ATOM 170 CB ALA A 15 40.328 -22.634 -14.644 1.00 31.56 C ATOM 171 H ALA A 15 42.353 -21.338 -15.658 1.00 0.00 H ATOM 172 N SER A 16 41.711 -20.770 -12.408 1.00 31.86 N ATOM 173 CA SER A 16 41.884 -20.316 -11.032 1.00 33.64 C ATOM 174 C SER A 16 41.786 -18.795 -10.916 1.00 33.16 C ATOM 175 O SER A 16 41.260 -18.303 -9.935 1.00 32.08 O ATOM 176 CB SER A 16 43.190 -20.847 -10.391 1.00 36.15 C ATOM 177 OG SER A 16 44.330 -20.400 -11.078 1.00 38.51 O ATOM 178 HG SER A 16 44.356 -19.410 -11.062 1.00 0.00 H ATOM 179 H SER A 16 42.522 -21.188 -12.908 1.00 0.00 H ATOM 180 N ASP A 17 42.255 -18.069 -11.923 1.00 33.63 N ATOM 181 CA ASP A 17 42.111 -16.590 -11.954 1.00 35.39 C ATOM 182 C ASP A 17 40.641 -16.155 -12.071 1.00 33.32 C ATOM 183 O ASP A 17 40.202 -15.204 -11.387 1.00 33.29 O ATOM 184 CB ASP A 17 42.952 -15.963 -13.069 1.00 37.04 C ATOM 185 CG ASP A 17 44.454 -15.865 -12.715 1.00 41.35 C ATOM 186 OD1 ASP A 17 44.877 -16.062 -11.545 1.00 42.09 O ATOM 187 OD2 ASP A 17 45.211 -15.569 -13.647 1.00 42.61 O ATOM 188 H ASP A 17 42.736 -18.548 -12.711 1.00 0.00 H ATOM 189 N VAL A 18 39.861 -16.884 -12.863 1.00 32.39 N ATOM 190 CA VAL A 18 38.426 -16.632 -12.959 1.00 31.73 C ATOM 191 C VAL A 18 37.774 -16.843 -11.595 1.00 31.28 C ATOM 192 O VAL A 18 37.015 -15.972 -11.125 1.00 28.83 O ATOM 193 CB VAL A 18 37.741 -17.494 -14.039 1.00 31.98 C ATOM 194 CG1 VAL A 18 36.227 -17.425 -13.926 1.00 32.28 C ATOM 195 CG2 VAL A 18 38.211 -17.109 -15.436 1.00 32.10 C ATOM 196 H VAL A 18 40.282 -17.650 -13.426 1.00 0.00 H ATOM 197 N LEU A 19 38.073 -17.961 -10.933 1.00 30.80 N ATOM 198 CA LEU A 19 37.515 -18.157 -9.590 1.00 32.60 C ATOM 199 C LEU A 19 37.930 -17.082 -8.602 1.00 31.87 C ATOM 200 O LEU A 19 37.115 -16.632 -7.812 1.00 30.27 O ATOM 201 CB LEU A 19 37.890 -19.502 -8.979 1.00 35.15 C ATOM 202 CG LEU A 19 36.840 -20.573 -8.983 1.00 39.42 C ATOM 203 CD1 LEU A 19 36.556 -20.942 -10.422 1.00 42.60 C ATOM 204 CD2 LEU A 19 37.349 -21.769 -8.178 1.00 39.18 C ATOM 205 H LEU A 19 38.690 -18.681 -11.360 1.00 0.00 H ATOM 206 N LEU A 20 39.207 -16.718 -8.619 1.00 32.90 N ATOM 207 CA LEU A 20 39.725 -15.627 -7.763 1.00 34.24 C ATOM 208 C LEU A 20 38.895 -14.364 -7.976 1.00 32.30 C ATOM 209 O LEU A 20 38.437 -13.736 -7.013 1.00 31.71 O ATOM 210 CB LEU A 20 41.209 -15.377 -8.053 1.00 37.22 C ATOM 211 CG LEU A 20 42.179 -14.916 -6.974 1.00 43.40 C ATOM 212 CD1 LEU A 20 42.255 -15.862 -5.788 1.00 43.77 C ATOM 213 CD2 LEU A 20 43.569 -14.732 -7.616 1.00 45.15 C ATOM 214 H LEU A 20 39.864 -17.215 -9.254 1.00 0.00 H ATOM 215 N ASN A 21 38.662 -14.017 -9.232 1.00 31.69 N ATOM 216 CA ASN A 21 37.844 -12.834 -9.553 1.00 32.19 C ATOM 217 C ASN A 21 36.367 -12.960 -9.158 1.00 30.98 C ATOM 218 O ASN A 21 35.765 -11.995 -8.653 1.00 28.48 O ATOM 219 CB ASN A 21 38.051 -12.386 -11.011 1.00 32.36 C ATOM 220 CG ASN A 21 39.452 -11.832 -11.257 1.00 35.48 C ATOM 221 OD1 ASN A 21 40.128 -11.444 -10.323 1.00 36.73 O ATOM 222 ND2 ASN A 21 39.891 -11.810 -12.506 1.00 35.85 N ATOM 223 HD22 ASN A 21 39.282 -12.151 -13.277 1.00 0.00 H ATOM 224 HD21 ASN A 21 40.845 -11.452 -12.716 1.00 0.00 H ATOM 225 H ASN A 21 39.062 -14.588 -10.004 1.00 0.00 H ATOM 226 N LEU A 22 35.789 -14.146 -9.320 1.00 29.84 N ATOM 227 CA LEU A 22 34.421 -14.399 -8.857 1.00 29.34 C ATOM 228 C LEU A 22 34.328 -14.254 -7.351 1.00 29.81 C ATOM 229 O LEU A 22 33.356 -13.673 -6.835 1.00 29.33 O ATOM 230 CB LEU A 22 33.945 -15.796 -9.300 1.00 29.75 C ATOM 231 CG LEU A 22 33.728 -15.917 -10.841 1.00 29.63 C ATOM 232 CD1 LEU A 22 33.371 -17.360 -11.205 1.00 30.12 C ATOM 233 CD2 LEU A 22 32.642 -14.994 -11.328 1.00 30.91 C ATOM 234 H LEU A 22 36.318 -14.911 -9.785 1.00 0.00 H ATOM 235 N ASN A 23 35.333 -14.753 -6.642 1.00 29.30 N ATOM 236 CA ASN A 23 35.337 -14.626 -5.190 1.00 31.89 C ATOM 237 C ASN A 23 35.483 -13.161 -4.746 1.00 33.66 C ATOM 238 O ASN A 23 34.874 -12.750 -3.749 1.00 33.97 O ATOM 239 CB ASN A 23 36.423 -15.497 -4.548 1.00 32.69 C ATOM 240 CG ASN A 23 36.104 -15.853 -3.121 1.00 33.49 C ATOM 241 OD1 ASN A 23 34.932 -15.960 -2.739 1.00 32.78 O ATOM 242 ND2 ASN A 23 37.140 -16.062 -2.316 1.00 34.81 N ATOM 243 HD22 ASN A 23 38.109 -15.961 -2.679 1.00 0.00 H ATOM 244 HD21 ASN A 23 36.982 -16.327 -1.323 1.00 0.00 H ATOM 245 H ASN A 23 36.119 -15.235 -7.123 1.00 0.00 H ATOM 246 N ARG A 24 36.248 -12.383 -5.502 1.00 35.87 N ATOM 247 CA ARG A 24 36.345 -10.932 -5.269 1.00 38.97 C ATOM 248 C ARG A 24 34.993 -10.239 -5.440 1.00 37.04 C ATOM 249 O ARG A 24 34.641 -9.379 -4.643 1.00 37.59 O ATOM 250 CB ARG A 24 37.358 -10.277 -6.214 1.00 42.76 C ATOM 251 CG ARG A 24 38.792 -10.655 -5.943 1.00 47.21 C ATOM 252 CD ARG A 24 39.750 -9.871 -6.830 1.00 53.63 C ATOM 253 NE ARG A 24 41.094 -10.437 -6.760 1.00 57.66 N ATOM 254 CZ ARG A 24 42.197 -9.864 -7.236 1.00 62.77 C ATOM 255 NH1 ARG A 24 43.360 -10.502 -7.101 1.00 64.15 N ATOM 256 NH2 ARG A 24 42.161 -8.659 -7.824 1.00 63.85 N ATOM 257 HE ARG A 24 41.198 -11.364 -6.300 1.00 0.00 H ATOM 258 HH12 ARG A 24 44.234 -10.072 -7.466 1.00 0.00 H ATOM 259 HH11 ARG A 24 43.393 -11.429 -6.631 1.00 0.00 H ATOM 260 HH22 ARG A 24 43.036 -8.232 -8.188 1.00 0.00 H ATOM 261 HH21 ARG A 24 41.258 -8.152 -7.916 1.00 0.00 H ATOM 262 H ARG A 24 36.793 -12.809 -6.279 1.00 0.00 H ATOM 263 N LEU A 25 34.243 -10.622 -6.482 1.00 34.21 N ATOM 264 CA LEU A 25 32.896 -10.110 -6.681 1.00 33.62 C ATOM 265 C LEU A 25 32.010 -10.465 -5.495 1.00 33.66 C ATOM 266 O LEU A 25 31.248 -9.615 -5.031 1.00 33.97 O ATOM 267 CB LEU A 25 32.252 -10.626 -7.976 1.00 32.99 C ATOM 268 CG LEU A 25 32.920 -10.307 -9.313 1.00 33.58 C ATOM 269 CD1 LEU A 25 32.089 -10.892 -10.450 1.00 33.47 C ATOM 270 CD2 LEU A 25 33.025 -8.816 -9.518 1.00 34.93 C ATOM 271 H LEU A 25 34.633 -11.302 -7.165 1.00 0.00 H ATOM 272 N ARG A 26 32.095 -11.701 -5.013 1.00 32.62 N ATOM 273 CA ARG A 26 31.302 -12.105 -3.872 1.00 33.48 C ATOM 274 C ARG A 26 31.678 -11.274 -2.630 1.00 36.03 C ATOM 275 O ARG A 26 30.790 -10.783 -1.950 1.00 37.15 O ATOM 276 CB ARG A 26 31.448 -13.576 -3.571 1.00 34.33 C ATOM 277 CG ARG A 26 30.658 -14.039 -2.361 1.00 33.62 C ATOM 278 CD ARG A 26 30.636 -15.539 -2.230 1.00 35.26 C ATOM 279 NE ARG A 26 31.932 -16.118 -1.858 1.00 36.38 N ATOM 280 CZ ARG A 26 32.258 -16.648 -0.678 1.00 37.32 C ATOM 281 NH1 ARG A 26 31.407 -16.678 0.336 1.00 37.17 N ATOM 282 NH2 ARG A 26 33.471 -17.172 -0.514 1.00 39.19 N ATOM 283 HE ARG A 26 32.672 -16.115 -2.589 1.00 0.00 H ATOM 284 HH12 ARG A 26 31.693 -17.099 1.243 1.00 0.00 H ATOM 285 HH11 ARG A 26 30.452 -16.281 0.226 1.00 0.00 H ATOM 286 HH22 ARG A 26 33.738 -17.588 0.401 1.00 0.00 H ATOM 287 HH21 ARG A 26 34.151 -17.165 -1.301 1.00 0.00 H ATOM 288 H ARG A 26 32.738 -12.385 -5.461 1.00 0.00 H ATOM 289 N SER A 27 32.971 -11.115 -2.372 1.00 37.61 N ATOM 290 CA SER A 27 33.455 -10.303 -1.237 1.00 40.82 C ATOM 291 C SER A 27 32.910 -8.867 -1.258 1.00 41.74 C ATOM 292 O SER A 27 32.607 -8.302 -0.210 1.00 43.52 O ATOM 293 CB SER A 27 34.973 -10.237 -1.229 1.00 42.81 C ATOM 294 OG SER A 27 35.483 -11.495 -0.851 1.00 48.46 O ATOM 295 HG SER A 27 35.181 -12.180 -1.498 1.00 0.00 H ATOM 296 H SER A 27 33.667 -11.578 -2.991 1.00 0.00 H ATOM 297 N ARG A 28 32.764 -8.313 -2.450 1.00 40.74 N ATOM 298 CA ARG A 28 32.326 -6.935 -2.640 1.00 42.26 C ATOM 299 C ARG A 28 30.836 -6.818 -2.931 1.00 41.89 C ATOM 300 O ARG A 28 30.325 -5.720 -3.140 1.00 39.31 O ATOM 301 CB ARG A 28 33.152 -6.321 -3.751 1.00 44.50 C ATOM 302 CG ARG A 28 34.635 -6.368 -3.446 1.00 47.88 C ATOM 303 CD ARG A 28 35.448 -5.810 -4.591 1.00 52.29 C ATOM 304 NE ARG A 28 35.300 -4.363 -4.685 1.00 58.17 N ATOM 305 CZ ARG A 28 35.856 -3.594 -5.623 1.00 62.47 C ATOM 306 NH1 ARG A 28 35.649 -2.278 -5.598 1.00 64.69 N ATOM 307 NH2 ARG A 28 36.606 -4.126 -6.595 1.00 64.47 N ATOM 308 HE ARG A 28 34.715 -3.893 -3.965 1.00 0.00 H ATOM 309 HH12 ARG A 28 36.078 -1.670 -6.325 1.00 0.00 H ATOM 310 HH11 ARG A 28 35.058 -1.859 -4.852 1.00 0.00 H ATOM 311 HH22 ARG A 28 37.032 -3.512 -7.318 1.00 0.00 H ATOM 312 HH21 ARG A 28 36.763 -5.154 -6.627 1.00 0.00 H ATOM 313 H ARG A 28 32.971 -8.887 -3.292 1.00 0.00 H ATOM 314 N ASP A 29 30.149 -7.958 -2.950 1.00 38.48 N ATOM 315 CA ASP A 29 28.736 -8.043 -3.203 1.00 40.06 C ATOM 316 C ASP A 29 28.345 -7.466 -4.568 1.00 38.58 C ATOM 317 O ASP A 29 27.301 -6.813 -4.715 1.00 37.83 O ATOM 318 CB ASP A 29 27.932 -7.399 -2.051 1.00 43.03 C ATOM 319 CG ASP A 29 26.515 -7.907 -1.986 1.00 44.18 C ATOM 320 OD1 ASP A 29 26.315 -9.122 -2.185 1.00 44.07 O ATOM 321 OD2 ASP A 29 25.600 -7.104 -1.719 1.00 47.10 O ATOM 322 H ASP A 29 30.666 -8.842 -2.771 1.00 0.00 H ATOM 323 N ILE A 30 29.187 -7.745 -5.568 1.00 36.77 N ATOM 324 CA ILE A 30 28.958 -7.310 -6.943 1.00 36.13 C ATOM 325 C ILE A 30 28.259 -8.414 -7.737 1.00 35.13 C ATOM 326 O ILE A 30 28.804 -9.532 -7.876 1.00 31.15 O ATOM 327 CB ILE A 30 30.297 -6.947 -7.629 1.00 35.95 C ATOM 328 CG1 ILE A 30 30.973 -5.783 -6.866 1.00 37.64 C ATOM 329 CG2 ILE A 30 30.065 -6.569 -9.074 1.00 36.76 C ATOM 330 CD1 ILE A 30 32.378 -5.439 -7.336 1.00 39.01 C ATOM 331 H ILE A 30 30.043 -8.296 -5.357 1.00 0.00 H ATOM 332 N LEU A 31 27.087 -8.081 -8.284 1.00 35.04 N ATOM 333 CA LEU A 31 26.281 -8.992 -9.118 1.00 36.63 C ATOM 334 C LEU A 31 25.850 -10.294 -8.408 1.00 34.84 C ATOM 335 O LEU A 31 25.388 -11.244 -9.056 1.00 32.80 O ATOM 336 CB LEU A 31 26.971 -9.266 -10.469 1.00 37.94 C ATOM 337 CG LEU A 31 26.505 -8.343 -11.598 1.00 42.07 C ATOM 338 CD1 LEU A 31 26.735 -6.881 -11.289 1.00 43.27 C ATOM 339 CD2 LEU A 31 27.204 -8.722 -12.869 1.00 43.24 C ATOM 340 H LEU A 31 26.721 -7.123 -8.112 1.00 0.00 H ATOM 341 N THR A 32 25.915 -10.317 -7.074 1.00 34.05 N ATOM 342 CA THR A 32 25.320 -11.416 -6.325 1.00 33.80 C ATOM 343 C THR A 32 23.814 -11.396 -6.574 1.00 34.43 C ATOM 344 O THR A 32 23.187 -10.317 -6.709 1.00 34.42 O ATOM 345 CB THR A 32 25.631 -11.323 -4.813 1.00 34.51 C ATOM 346 OG1 THR A 32 25.329 -9.997 -4.349 1.00 34.13 O ATOM 347 CG2 THR A 32 27.115 -11.637 -4.560 1.00 35.10 C ATOM 348 HG1 THR A 32 25.527 -9.934 -3.381 1.00 0.00 H ATOM 349 H THR A 32 26.393 -9.545 -6.567 1.00 0.00 H ATOM 350 N ASP A 33 23.224 -12.578 -6.714 1.00 33.73 N ATOM 351 CA ASP A 33 21.839 -12.645 -7.148 1.00 35.08 C ATOM 352 C ASP A 33 20.984 -13.614 -6.323 1.00 34.46 C ATOM 353 O ASP A 33 19.834 -13.864 -6.662 1.00 32.44 O ATOM 354 CB ASP A 33 21.794 -12.935 -8.668 1.00 36.32 C ATOM 355 CG ASP A 33 22.498 -14.218 -9.033 1.00 37.40 C ATOM 356 OD1 ASP A 33 22.944 -14.928 -8.103 1.00 34.78 O ATOM 357 OD2 ASP A 33 22.644 -14.523 -10.243 1.00 37.89 O ATOM 358 H ASP A 33 23.751 -13.452 -6.514 1.00 0.00 H ATOM 359 N VAL A 34 21.532 -14.105 -5.218 1.00 32.40 N ATOM 360 CA VAL A 34 20.797 -14.956 -4.299 1.00 32.40 C ATOM 361 C VAL A 34 21.366 -14.830 -2.900 1.00 32.23 C ATOM 362 O VAL A 34 22.564 -14.595 -2.728 1.00 31.33 O ATOM 363 CB VAL A 34 20.788 -16.436 -4.776 1.00 31.77 C ATOM 364 CG1 VAL A 34 22.160 -17.076 -4.602 1.00 30.94 C ATOM 365 CG2 VAL A 34 19.689 -17.227 -4.093 1.00 32.85 C ATOM 366 H VAL A 34 22.522 -13.872 -5.003 1.00 0.00 H ATOM 367 N VAL A 35 20.485 -14.990 -1.908 1.00 32.59 N ATOM 368 CA VAL A 35 20.856 -15.105 -0.507 1.00 33.48 C ATOM 369 C VAL A 35 20.470 -16.517 -0.087 1.00 32.65 C ATOM 370 O VAL A 35 19.317 -16.925 -0.283 1.00 33.03 O ATOM 371 CB VAL A 35 20.083 -14.139 0.428 1.00 37.31 C ATOM 372 CG1 VAL A 35 20.641 -14.243 1.864 1.00 37.54 C ATOM 373 CG2 VAL A 35 20.150 -12.721 -0.078 1.00 39.76 C ATOM 374 H VAL A 35 19.475 -15.035 -2.152 1.00 0.00 H ATOM 375 N ILE A 36 21.423 -17.241 0.484 1.00 31.90 N ATOM 376 CA ILE A 36 21.199 -18.550 1.063 1.00 32.05 C ATOM 377 C ILE A 36 21.108 -18.361 2.581 1.00 33.31 C ATOM 378 O ILE A 36 22.003 -17.774 3.191 1.00 34.75 O ATOM 379 CB ILE A 36 22.319 -19.535 0.709 1.00 31.13 C ATOM 380 CG1 ILE A 36 22.604 -19.544 -0.821 1.00 31.11 C ATOM 381 CG2 ILE A 36 21.995 -20.933 1.224 1.00 32.17 C ATOM 382 CD1 ILE A 36 21.393 -19.840 -1.690 1.00 30.87 C ATOM 383 H ILE A 36 22.385 -16.847 0.518 1.00 0.00 H ATOM 384 N VAL A 37 20.028 -18.861 3.168 1.00 33.72 N ATOM 385 CA VAL A 37 19.762 -18.703 4.597 1.00 35.56 C ATOM 386 C VAL A 37 19.938 -20.065 5.265 1.00 36.08 C ATOM 387 O VAL A 37 19.322 -21.057 4.852 1.00 36.28 O ATOM 388 CB VAL A 37 18.358 -18.146 4.855 1.00 36.43 C ATOM 389 CG1 VAL A 37 18.093 -17.977 6.344 1.00 37.72 C ATOM 390 CG2 VAL A 37 18.170 -16.812 4.133 1.00 37.22 C ATOM 391 H VAL A 37 19.343 -19.387 2.588 1.00 0.00 H ATOM 392 N VAL A 38 20.808 -20.099 6.268 1.00 37.61 N ATOM 393 CA VAL A 38 21.156 -21.316 6.962 1.00 40.76 C ATOM 394 C VAL A 38 21.160 -20.983 8.461 1.00 41.22 C ATOM 395 O VAL A 38 22.013 -20.199 8.926 1.00 41.55 O ATOM 396 CB VAL A 38 22.565 -21.801 6.573 1.00 42.58 C ATOM 397 CG1 VAL A 38 22.777 -23.191 7.114 1.00 43.21 C ATOM 398 CG2 VAL A 38 22.794 -21.741 5.048 1.00 43.21 C ATOM 399 H VAL A 38 21.258 -19.210 6.566 1.00 0.00 H ATOM 400 N SER A 39 20.217 -21.545 9.190 1.00 42.32 N ATOM 401 CA SER A 39 20.163 -21.390 10.658 1.00 44.48 C ATOM 402 C SER A 39 20.133 -19.894 11.041 1.00 43.19 C ATOM 403 O SER A 39 20.860 -19.469 11.946 1.00 42.89 O ATOM 404 CB SER A 39 21.367 -22.092 11.289 1.00 46.57 C ATOM 405 OG SER A 39 21.130 -22.426 12.652 1.00 50.01 O ATOM 406 HG SER A 39 20.350 -23.033 12.711 1.00 0.00 H ATOM 407 H SER A 39 19.488 -22.116 8.717 1.00 0.00 H ATOM 408 N ARG A 40 19.335 -19.111 10.311 1.00 40.67 N ATOM 409 CA ARG A 40 19.232 -17.642 10.481 1.00 42.80 C ATOM 410 C ARG A 40 20.509 -16.831 10.168 1.00 42.66 C ATOM 411 O ARG A 40 20.577 -15.659 10.525 1.00 43.32 O ATOM 412 CB ARG A 40 18.755 -17.273 11.901 1.00 45.49 C ATOM 413 CG ARG A 40 17.480 -17.946 12.364 1.00 47.37 C ATOM 414 CD ARG A 40 17.088 -17.443 13.763 1.00 51.17 C ATOM 415 NE ARG A 40 15.842 -18.044 14.257 1.00 53.67 N ATOM 416 CZ ARG A 40 15.710 -19.301 14.683 1.00 55.90 C ATOM 417 NH1 ARG A 40 14.523 -19.723 15.100 1.00 58.84 N ATOM 418 NH2 ARG A 40 16.735 -20.154 14.686 1.00 55.06 N ATOM 419 HE ARG A 40 14.995 -17.441 14.276 1.00 0.00 H ATOM 420 HH12 ARG A 40 14.407 -20.701 15.435 1.00 0.00 H ATOM 421 HH11 ARG A 40 13.709 -19.076 15.092 1.00 0.00 H ATOM 422 HH22 ARG A 40 16.600 -21.128 15.025 1.00 0.00 H ATOM 423 HH21 ARG A 40 17.669 -19.845 14.350 1.00 0.00 H ATOM 424 H ARG A 40 18.749 -19.559 9.578 1.00 0.00 H ATOM 425 N GLU A 41 21.502 -17.430 9.514 1.00 40.79 N ATOM 426 CA GLU A 41 22.635 -16.683 8.958 1.00 43.42 C ATOM 427 C GLU A 41 22.449 -16.590 7.451 1.00 42.34 C ATOM 428 O GLU A 41 21.937 -17.523 6.840 1.00 40.82 O ATOM 429 CB GLU A 41 23.960 -17.377 9.220 1.00 46.22 C ATOM 430 CG GLU A 41 24.450 -17.321 10.648 1.00 50.81 C ATOM 431 CD GLU A 41 25.805 -18.009 10.807 1.00 53.46 C ATOM 432 OE1 GLU A 41 26.683 -17.852 9.906 1.00 54.23 O ATOM 433 OE2 GLU A 41 25.973 -18.722 11.821 1.00 54.71 O ATOM 434 H GLU A 41 21.473 -18.463 9.393 1.00 0.00 H ATOM 435 N GLN A 42 22.891 -15.483 6.874 1.00 40.35 N ATOM 436 CA GLN A 42 22.660 -15.171 5.458 1.00 40.50 C ATOM 437 C GLN A 42 23.983 -15.150 4.703 1.00 39.80 C ATOM 438 O GLN A 42 24.959 -14.595 5.197 1.00 39.29 O ATOM 439 CB GLN A 42 21.977 -13.821 5.335 1.00 42.38 C ATOM 440 CG GLN A 42 20.605 -13.774 5.989 1.00 44.83 C ATOM 441 CD GLN A 42 19.808 -12.540 5.612 1.00 46.26 C ATOM 442 OE1 GLN A 42 20.161 -11.804 4.712 1.00 48.24 O ATOM 443 NE2 GLN A 42 18.728 -12.307 6.325 1.00 51.12 N ATOM 444 HE22 GLN A 42 18.458 -12.960 7.088 1.00 0.00 H ATOM 445 HE21 GLN A 42 18.144 -11.470 6.126 1.00 0.00 H ATOM 446 H GLN A 42 23.427 -14.803 7.451 1.00 0.00 H ATOM 447 N PHE A 43 24.020 -15.768 3.524 1.00 37.27 N ATOM 448 CA PHE A 43 25.236 -15.838 2.686 1.00 36.44 C ATOM 449 C PHE A 43 24.871 -15.392 1.294 1.00 35.50 C ATOM 450 O PHE A 43 24.009 -15.995 0.688 1.00 33.68 O ATOM 451 CB PHE A 43 25.750 -17.270 2.600 1.00 36.85 C ATOM 452 CG PHE A 43 26.165 -17.840 3.908 1.00 37.97 C ATOM 453 CD1 PHE A 43 25.231 -18.473 4.735 1.00 38.23 C ATOM 454 CD2 PHE A 43 27.479 -17.744 4.326 1.00 39.32 C ATOM 455 CE1 PHE A 43 25.620 -19.013 5.951 1.00 41.33 C ATOM 456 CE2 PHE A 43 27.876 -18.280 5.548 1.00 41.73 C ATOM 457 CZ PHE A 43 26.947 -18.908 6.361 1.00 40.58 C ATOM 458 H PHE A 43 23.152 -16.223 3.176 1.00 0.00 H ATOM 459 N ARG A 44 25.499 -14.324 0.789 1.00 34.41 N ATOM 460 CA ARG A 44 25.214 -13.854 -0.546 1.00 35.46 C ATOM 461 C ARG A 44 26.109 -14.578 -1.545 1.00 33.63 C ATOM 462 O ARG A 44 27.270 -14.834 -1.250 1.00 32.91 O ATOM 463 CB ARG A 44 25.412 -12.333 -0.651 1.00 39.17 C ATOM 464 CG ARG A 44 24.266 -11.539 -0.015 1.00 45.00 C ATOM 465 CD ARG A 44 23.875 -10.316 -0.848 1.00 51.03 C ATOM 466 NE ARG A 44 22.422 -10.236 -1.009 1.00 57.83 N ATOM 467 CZ ARG A 44 21.743 -10.321 -2.159 1.00 61.57 C ATOM 468 NH1 ARG A 44 20.414 -10.231 -2.119 1.00 66.79 N ATOM 469 NH2 ARG A 44 22.343 -10.456 -3.349 1.00 59.03 N ATOM 470 HE ARG A 44 21.862 -10.100 -0.143 1.00 0.00 H ATOM 471 HH12 ARG A 44 19.862 -10.294 -2.998 1.00 0.00 H ATOM 472 HH11 ARG A 44 19.929 -10.098 -1.209 1.00 0.00 H ATOM 473 HH22 ARG A 44 21.771 -10.518 -4.216 1.00 0.00 H ATOM 474 HH21 ARG A 44 23.381 -10.499 -3.406 1.00 0.00 H ATOM 475 H ARG A 44 26.204 -13.824 1.368 1.00 0.00 H ATOM 476 N ALA A 45 25.578 -14.882 -2.733 1.00 31.25 N ATOM 477 CA ALA A 45 26.364 -15.654 -3.706 1.00 30.51 C ATOM 478 C ALA A 45 25.842 -15.431 -5.123 1.00 29.84 C ATOM 479 O ALA A 45 24.905 -14.659 -5.339 1.00 28.88 O ATOM 480 CB ALA A 45 26.351 -17.116 -3.342 1.00 31.17 C ATOM 481 H ALA A 45 24.613 -14.574 -2.968 1.00 0.00 H ATOM 482 N HIS A 46 26.491 -16.093 -6.068 1.00 28.70 N ATOM 483 CA HIS A 46 26.107 -16.086 -7.461 1.00 28.35 C ATOM 484 C HIS A 46 25.494 -17.446 -7.814 1.00 29.35 C ATOM 485 O HIS A 46 26.146 -18.490 -7.654 1.00 29.35 O ATOM 486 CB HIS A 46 27.340 -15.868 -8.337 1.00 28.91 C ATOM 487 CG HIS A 46 28.051 -14.585 -8.049 1.00 29.19 C ATOM 488 ND1 HIS A 46 29.121 -14.510 -7.190 1.00 29.55 N ATOM 489 CD2 HIS A 46 27.797 -13.312 -8.450 1.00 29.91 C ATOM 490 CE1 HIS A 46 29.523 -13.254 -7.088 1.00 30.38 C ATOM 491 NE2 HIS A 46 28.747 -12.502 -7.857 1.00 31.08 N ATOM 492 H HIS A 46 27.325 -16.650 -5.792 1.00 0.00 H ATOM 493 N LYS A 47 24.269 -17.429 -8.341 1.00 28.89 N ATOM 494 CA LYS A 47 23.549 -18.671 -8.656 1.00 30.40 C ATOM 495 C LYS A 47 24.375 -19.561 -9.598 1.00 29.49 C ATOM 496 O LYS A 47 24.415 -20.775 -9.416 1.00 29.45 O ATOM 497 CB LYS A 47 22.196 -18.385 -9.302 1.00 31.20 C ATOM 498 CG LYS A 47 21.164 -17.744 -8.408 1.00 32.99 C ATOM 499 CD LYS A 47 19.918 -17.434 -9.220 1.00 34.96 C ATOM 500 CE LYS A 47 18.874 -16.753 -8.375 1.00 36.51 C ATOM 501 NZ LYS A 47 17.589 -16.657 -9.081 1.00 36.34 N ATOM 502 HZ1 LYS A 47 17.715 -16.108 -9.955 1.00 0.00 H ATOM 503 HZ2 LYS A 47 17.252 -17.612 -9.316 1.00 0.00 H ATOM 504 HZ3 LYS A 47 16.894 -16.183 -8.470 1.00 0.00 H ATOM 505 H LYS A 47 23.812 -16.515 -8.534 1.00 0.00 H ATOM 506 N THR A 48 25.058 -18.967 -10.573 1.00 29.96 N ATOM 507 CA THR A 48 25.807 -19.792 -11.541 1.00 30.81 C ATOM 508 C THR A 48 26.965 -20.544 -10.891 1.00 29.89 C ATOM 509 O THR A 48 27.261 -21.697 -11.236 1.00 29.33 O ATOM 510 CB THR A 48 26.337 -18.948 -12.728 1.00 31.91 C ATOM 511 OG1 THR A 48 27.020 -17.817 -12.213 1.00 33.03 O ATOM 512 CG2 THR A 48 25.191 -18.501 -13.631 1.00 34.62 C ATOM 513 HG1 THR A 48 27.363 -17.270 -12.964 1.00 0.00 H ATOM 514 H THR A 48 25.064 -17.930 -10.652 1.00 0.00 H ATOM 515 N VAL A 49 27.641 -19.909 -9.932 1.00 29.43 N ATOM 516 CA VAL A 49 28.699 -20.596 -9.227 1.00 29.35 C ATOM 517 C VAL A 49 28.114 -21.738 -8.393 1.00 29.57 C ATOM 518 O VAL A 49 28.654 -22.866 -8.376 1.00 29.04 O ATOM 519 CB VAL A 49 29.553 -19.629 -8.382 1.00 29.60 C ATOM 520 CG1 VAL A 49 30.611 -20.373 -7.584 1.00 31.07 C ATOM 521 CG2 VAL A 49 30.240 -18.625 -9.297 1.00 30.21 C ATOM 522 H VAL A 49 27.408 -18.924 -9.693 1.00 0.00 H ATOM 523 N LEU A 50 27.013 -21.460 -7.699 1.00 28.77 N ATOM 524 CA LEU A 50 26.377 -22.507 -6.882 1.00 29.54 C ATOM 525 C LEU A 50 25.985 -23.734 -7.714 1.00 29.41 C ATOM 526 O LEU A 50 26.263 -24.859 -7.294 1.00 31.09 O ATOM 527 CB LEU A 50 25.152 -21.977 -6.168 1.00 30.79 C ATOM 528 CG LEU A 50 25.347 -20.844 -5.155 1.00 31.62 C ATOM 529 CD1 LEU A 50 24.042 -20.481 -4.482 1.00 33.25 C ATOM 530 CD2 LEU A 50 26.365 -21.188 -4.108 1.00 32.60 C ATOM 531 H LEU A 50 26.603 -20.505 -7.734 1.00 0.00 H ATOM 532 N MET A 51 25.337 -23.494 -8.852 1.00 30.56 N ATOM 533 CA MET A 51 24.880 -24.543 -9.789 1.00 33.67 C ATOM 534 C MET A 51 26.048 -25.311 -10.403 1.00 33.80 C ATOM 535 O MET A 51 25.920 -26.503 -10.723 1.00 35.39 O ATOM 536 CB MET A 51 24.165 -23.912 -10.987 1.00 36.53 C ATOM 537 CG MET A 51 22.912 -23.152 -10.681 1.00 38.18 C ATOM 538 SD MET A 51 22.495 -22.355 -12.251 1.00 37.63 S ATOM 539 CE MET A 51 21.535 -23.705 -12.927 1.00 36.27 C ATOM 540 H MET A 51 25.139 -22.503 -9.098 1.00 0.00 H ATOM 541 N ALA A 52 27.165 -24.617 -10.622 1.00 32.22 N ATOM 542 CA ALA A 52 28.382 -25.258 -11.137 1.00 33.18 C ATOM 543 C ALA A 52 29.042 -26.232 -10.155 1.00 33.20 C ATOM 544 O ALA A 52 29.813 -27.103 -10.583 1.00 34.70 O ATOM 545 CB ALA A 52 29.395 -24.199 -11.589 1.00 33.89 C ATOM 546 H ALA A 52 27.175 -23.596 -10.423 1.00 0.00 H ATOM 547 N CYS A 53 28.750 -26.091 -8.850 1.00 33.45 N ATOM 548 CA CYS A 53 29.398 -26.888 -7.801 1.00 33.55 C ATOM 549 C CYS A 53 28.494 -27.866 -7.042 1.00 35.05 C ATOM 550 O CYS A 53 29.013 -28.700 -6.324 1.00 34.94 O ATOM 551 CB CYS A 53 30.051 -25.946 -6.783 1.00 34.03 C ATOM 552 SG CYS A 53 31.253 -24.830 -7.534 1.00 34.45 S ATOM 553 H CYS A 53 28.035 -25.388 -8.572 1.00 0.00 H ATOM 554 N SER A 54 27.167 -27.748 -7.168 1.00 32.87 N ATOM 555 CA SER A 54 26.218 -28.442 -6.278 1.00 32.66 C ATOM 556 C SER A 54 25.043 -28.977 -7.052 1.00 33.86 C ATOM 557 O SER A 54 24.368 -28.219 -7.740 1.00 32.75 O ATOM 558 CB SER A 54 25.687 -27.479 -5.201 1.00 32.19 C ATOM 559 OG SER A 54 24.422 -27.884 -4.638 1.00 31.24 O ATOM 560 HG SER A 54 24.519 -28.775 -4.217 1.00 0.00 H ATOM 561 H SER A 54 26.790 -27.142 -7.924 1.00 0.00 H ATOM 562 N GLY A 55 24.775 -30.277 -6.913 1.00 35.09 N ATOM 563 CA GLY A 55 23.594 -30.905 -7.528 1.00 36.89 C ATOM 564 C GLY A 55 22.283 -30.320 -7.035 1.00 36.38 C ATOM 565 O GLY A 55 21.348 -30.137 -7.815 1.00 37.32 O ATOM 566 H GLY A 55 25.422 -30.866 -6.351 1.00 0.00 H ATOM 567 N LEU A 56 22.230 -29.976 -5.750 1.00 35.42 N ATOM 568 CA LEU A 56 21.037 -29.383 -5.164 1.00 35.39 C ATOM 569 C LEU A 56 20.747 -28.031 -5.791 1.00 33.21 C ATOM 570 O LEU A 56 19.621 -27.776 -6.248 1.00 32.02 O ATOM 571 CB LEU A 56 21.151 -29.261 -3.629 1.00 36.40 C ATOM 572 CG LEU A 56 19.934 -28.577 -2.964 1.00 38.42 C ATOM 573 CD1 LEU A 56 18.664 -29.370 -3.178 1.00 41.04 C ATOM 574 CD2 LEU A 56 20.164 -28.309 -1.477 1.00 39.29 C ATOM 575 H LEU A 56 23.063 -30.135 -5.149 1.00 0.00 H ATOM 576 N PHE A 57 21.766 -27.173 -5.863 1.00 31.49 N ATOM 577 CA PHE A 57 21.566 -25.858 -6.460 1.00 31.19 C ATOM 578 C PHE A 57 21.326 -25.918 -7.963 1.00 31.79 C ATOM 579 O PHE A 57 20.523 -25.135 -8.484 1.00 31.61 O ATOM 580 CB PHE A 57 22.718 -24.908 -6.130 1.00 30.79 C ATOM 581 CG PHE A 57 22.733 -24.462 -4.690 1.00 30.42 C ATOM 582 CD1 PHE A 57 21.625 -23.840 -4.137 1.00 32.25 C ATOM 583 CD2 PHE A 57 23.860 -24.622 -3.909 1.00 31.52 C ATOM 584 CE1 PHE A 57 21.619 -23.439 -2.803 1.00 32.63 C ATOM 585 CE2 PHE A 57 23.860 -24.223 -2.569 1.00 31.43 C ATOM 586 CZ PHE A 57 22.741 -23.627 -2.032 1.00 31.48 C ATOM 587 H PHE A 57 22.701 -27.441 -5.494 1.00 0.00 H ATOM 588 N TYR A 58 21.989 -26.844 -8.646 1.00 33.22 N ATOM 589 CA TYR A 58 21.667 -27.111 -10.068 1.00 34.62 C ATOM 590 C TYR A 58 20.174 -27.405 -10.277 1.00 34.51 C ATOM 591 O TYR A 58 19.538 -26.827 -11.152 1.00 34.84 O ATOM 592 CB TYR A 58 22.508 -28.256 -10.646 1.00 35.80 C ATOM 593 CG TYR A 58 22.320 -28.364 -12.161 1.00 38.78 C ATOM 594 CD1 TYR A 58 22.893 -27.430 -13.001 1.00 39.22 C ATOM 595 CD2 TYR A 58 21.508 -29.352 -12.737 1.00 42.79 C ATOM 596 CE1 TYR A 58 22.712 -27.481 -14.371 1.00 41.07 C ATOM 597 CE2 TYR A 58 21.313 -29.409 -14.124 1.00 43.17 C ATOM 598 CZ TYR A 58 21.938 -28.468 -14.932 1.00 42.96 C ATOM 599 OH TYR A 58 21.805 -28.443 -16.306 1.00 44.77 O ATOM 600 HH TYR A 58 22.335 -27.692 -16.674 1.00 0.00 H ATOM 601 H TYR A 58 22.742 -27.388 -8.178 1.00 0.00 H ATOM 602 N SER A 59 19.620 -28.276 -9.447 1.00 36.46 N ATOM 603 CA SER A 59 18.191 -28.622 -9.535 1.00 38.30 C ATOM 604 C SER A 59 17.283 -27.456 -9.241 1.00 37.24 C ATOM 605 O SER A 59 16.314 -27.249 -9.943 1.00 37.71 O ATOM 606 CB SER A 59 17.853 -29.793 -8.619 1.00 41.79 C ATOM 607 OG SER A 59 18.604 -30.892 -9.087 1.00 46.70 O ATOM 608 HG SER A 59 19.569 -30.673 -9.044 1.00 0.00 H ATOM 609 H SER A 59 20.208 -28.726 -8.716 1.00 0.00 H ATOM 610 N ILE A 60 17.593 -26.692 -8.202 1.00 35.01 N ATOM 611 CA ILE A 60 16.799 -25.512 -7.850 1.00 35.03 C ATOM 612 C ILE A 60 16.773 -24.494 -8.964 1.00 36.95 C ATOM 613 O ILE A 60 15.707 -24.059 -9.409 1.00 37.64 O ATOM 614 CB ILE A 60 17.309 -24.832 -6.548 1.00 35.66 C ATOM 615 CG1 ILE A 60 17.121 -25.769 -5.368 1.00 36.06 C ATOM 616 CG2 ILE A 60 16.563 -23.520 -6.291 1.00 37.37 C ATOM 617 CD1 ILE A 60 17.942 -25.373 -4.149 1.00 37.24 C ATOM 618 H ILE A 60 18.421 -26.937 -7.622 1.00 0.00 H ATOM 619 N PHE A 61 17.951 -24.105 -9.437 1.00 34.79 N ATOM 620 CA PHE A 61 18.023 -22.986 -10.343 1.00 35.96 C ATOM 621 C PHE A 61 17.746 -23.355 -11.797 1.00 36.53 C ATOM 622 O PHE A 61 17.657 -22.453 -12.614 1.00 39.42 O ATOM 623 CB PHE A 61 19.355 -22.243 -10.197 1.00 35.15 C ATOM 624 CG PHE A 61 19.596 -21.698 -8.801 1.00 36.69 C ATOM 625 CD1 PHE A 61 18.627 -20.935 -8.153 1.00 37.81 C ATOM 626 CD2 PHE A 61 20.775 -21.973 -8.128 1.00 37.22 C ATOM 627 CE1 PHE A 61 18.840 -20.455 -6.868 1.00 38.12 C ATOM 628 CE2 PHE A 61 20.995 -21.486 -6.837 1.00 37.92 C ATOM 629 CZ PHE A 61 20.016 -20.750 -6.202 1.00 37.34 C ATOM 630 H PHE A 61 18.818 -24.605 -9.155 1.00 0.00 H ATOM 631 N THR A 62 17.579 -24.642 -12.108 1.00 37.09 N ATOM 632 CA THR A 62 17.031 -25.047 -13.411 1.00 38.64 C ATOM 633 C THR A 62 15.505 -25.296 -13.380 1.00 41.03 C ATOM 634 O THR A 62 14.899 -25.497 -14.429 1.00 39.49 O ATOM 635 CB THR A 62 17.743 -26.286 -13.999 1.00 39.15 C ATOM 636 OG1 THR A 62 17.719 -27.367 -13.070 1.00 38.39 O ATOM 637 CG2 THR A 62 19.187 -25.959 -14.352 1.00 40.09 C ATOM 638 HG1 THR A 62 18.181 -27.096 -12.238 1.00 0.00 H ATOM 639 H THR A 62 17.841 -25.372 -11.416 1.00 0.00 H ATOM 640 N ASP A 63 14.903 -25.253 -12.202 1.00 42.38 N ATOM 641 CA ASP A 63 13.453 -25.362 -12.056 1.00 44.29 C ATOM 642 C ASP A 63 12.812 -24.038 -12.456 1.00 45.94 C ATOM 643 O ASP A 63 13.113 -22.980 -11.887 1.00 41.48 O ATOM 644 CB ASP A 63 13.105 -25.733 -10.619 1.00 45.65 C ATOM 645 CG ASP A 63 11.625 -25.984 -10.422 1.00 49.65 C ATOM 646 OD1 ASP A 63 10.851 -25.011 -10.404 1.00 49.53 O ATOM 647 OD2 ASP A 63 11.255 -27.155 -10.261 1.00 51.57 O ATOM 648 H ASP A 63 15.484 -25.137 -11.347 1.00 0.00 H ATOM 649 N GLN A 64 11.900 -24.086 -13.431 1.00 48.96 N ATOM 650 CA GLN A 64 11.318 -22.858 -13.953 1.00 52.89 C ATOM 651 C GLN A 64 10.560 -22.057 -12.882 1.00 50.40 C ATOM 652 O GLN A 64 10.493 -20.842 -12.970 1.00 50.80 O ATOM 653 CB GLN A 64 10.475 -23.125 -15.224 1.00 57.20 C ATOM 654 CG GLN A 64 11.366 -23.308 -16.450 1.00 62.15 C ATOM 655 CD GLN A 64 10.656 -23.809 -17.706 1.00 67.70 C ATOM 656 OE1 GLN A 64 11.300 -24.366 -18.601 1.00 72.79 O ATOM 657 NE2 GLN A 64 9.338 -23.603 -17.791 1.00 69.91 N ATOM 658 HE22 GLN A 64 8.834 -23.130 -17.014 1.00 0.00 H ATOM 659 HE21 GLN A 64 8.816 -23.916 -18.634 1.00 0.00 H ATOM 660 H GLN A 64 11.605 -25.005 -13.819 1.00 0.00 H ATOM 661 N LEU A 65 10.061 -22.721 -11.844 1.00 50.63 N ATOM 662 CA LEU A 65 9.421 -22.031 -10.727 1.00 51.19 C ATOM 663 C LEU A 65 10.435 -21.448 -9.726 1.00 50.51 C ATOM 664 O LEU A 65 10.341 -20.278 -9.334 1.00 51.03 O ATOM 665 CB LEU A 65 8.468 -23.007 -10.025 1.00 53.27 C ATOM 666 CG LEU A 65 7.376 -22.456 -9.123 1.00 55.61 C ATOM 667 CD1 LEU A 65 6.458 -21.499 -9.866 1.00 56.25 C ATOM 668 CD2 LEU A 65 6.596 -23.623 -8.516 1.00 56.61 C ATOM 669 H LEU A 65 10.128 -23.759 -11.827 1.00 0.00 H ATOM 670 N LYS A 66 11.393 -22.269 -9.295 1.00 48.44 N ATOM 671 CA LYS A 66 12.309 -21.886 -8.205 1.00 48.13 C ATOM 672 C LYS A 66 13.466 -21.002 -8.654 1.00 49.32 C ATOM 673 O LYS A 66 14.047 -20.301 -7.828 1.00 47.87 O ATOM 674 CB LYS A 66 12.889 -23.111 -7.510 1.00 48.80 C ATOM 675 CG LYS A 66 11.866 -24.063 -6.923 1.00 51.30 C ATOM 676 CD LYS A 66 12.426 -25.463 -6.813 1.00 53.41 C ATOM 677 CE LYS A 66 11.355 -26.446 -6.373 1.00 56.52 C ATOM 678 NZ LYS A 66 11.677 -27.799 -6.903 1.00 58.94 N ATOM 679 HZ1 LYS A 66 11.711 -27.764 -7.942 1.00 0.00 H ATOM 680 HZ2 LYS A 66 12.601 -28.103 -6.535 1.00 0.00 H ATOM 681 HZ3 LYS A 66 10.943 -28.472 -6.601 1.00 0.00 H ATOM 682 H LYS A 66 11.497 -23.204 -9.739 1.00 0.00 H ATOM 683 N CYS A 67 13.790 -21.002 -9.954 1.00 50.24 N ATOM 684 CA CYS A 67 14.909 -20.202 -10.458 1.00 51.38 C ATOM 685 C CYS A 67 14.712 -18.696 -10.290 1.00 52.68 C ATOM 686 O CYS A 67 15.670 -17.957 -10.403 1.00 54.19 O ATOM 687 CB CYS A 67 15.199 -20.513 -11.929 1.00 51.12 C ATOM 688 SG CYS A 67 13.942 -19.918 -13.078 1.00 57.03 S ATOM 689 H CYS A 67 13.237 -21.581 -10.618 1.00 0.00 H ATOM 690 N ASN A 68 13.482 -18.255 -10.038 1.00 53.90 N ATOM 691 CA ASN A 68 13.178 -16.839 -9.808 1.00 56.30 C ATOM 692 C ASN A 68 13.311 -16.374 -8.361 1.00 55.91 C ATOM 693 O ASN A 68 13.169 -15.180 -8.091 1.00 58.15 O ATOM 694 CB ASN A 68 11.750 -16.545 -10.260 1.00 59.69 C ATOM 695 CG ASN A 68 11.556 -16.777 -11.743 1.00 61.70 C ATOM 696 OD1 ASN A 68 12.400 -16.393 -12.553 1.00 61.42 O ATOM 697 ND2 ASN A 68 10.454 -17.430 -12.100 1.00 64.78 N ATOM 698 HD22 ASN A 68 9.772 -17.733 -11.376 1.00 0.00 H ATOM 699 HD21 ASN A 68 10.275 -17.638 -13.103 1.00 0.00 H ATOM 700 H ASN A 68 12.703 -18.944 -10.003 1.00 0.00 H ATOM 701 N LEU A 69 13.552 -17.292 -7.427 1.00 49.88 N ATOM 702 CA LEU A 69 13.668 -16.906 -6.029 1.00 47.95 C ATOM 703 C LEU A 69 15.006 -16.206 -5.811 1.00 45.96 C ATOM 704 O LEU A 69 16.017 -16.612 -6.364 1.00 46.76 O ATOM 705 CB LEU A 69 13.541 -18.131 -5.134 1.00 48.47 C ATOM 706 CG LEU A 69 12.182 -18.851 -5.147 1.00 49.22 C ATOM 707 CD1 LEU A 69 12.307 -20.175 -4.415 1.00 49.88 C ATOM 708 CD2 LEU A 69 11.073 -18.012 -4.530 1.00 50.24 C ATOM 709 H LEU A 69 13.658 -18.290 -7.698 1.00 0.00 H ATOM 710 N SER A 70 14.997 -15.123 -5.048 1.00 45.36 N ATOM 711 CA SER A 70 16.242 -14.444 -4.660 1.00 44.06 C ATOM 712 C SER A 70 16.684 -14.838 -3.235 1.00 40.20 C ATOM 713 O SER A 70 17.791 -14.475 -2.815 1.00 36.93 O ATOM 714 CB SER A 70 16.065 -12.926 -4.779 1.00 46.31 C ATOM 715 OG SER A 70 15.100 -12.471 -3.847 1.00 49.70 O ATOM 716 HG SER A 70 14.233 -12.914 -4.028 1.00 0.00 H ATOM 717 H SER A 70 14.087 -14.744 -4.715 1.00 0.00 H ATOM 718 N VAL A 71 15.833 -15.571 -2.495 1.00 39.85 N ATOM 719 CA VAL A 71 16.188 -16.116 -1.174 1.00 40.26 C ATOM 720 C VAL A 71 15.933 -17.621 -1.185 1.00 39.94 C ATOM 721 O VAL A 71 14.860 -18.066 -1.612 1.00 40.20 O ATOM 722 CB VAL A 71 15.371 -15.470 -0.037 1.00 43.47 C ATOM 723 CG1 VAL A 71 15.748 -16.063 1.319 1.00 44.21 C ATOM 724 CG2 VAL A 71 15.573 -13.958 -0.048 1.00 45.53 C ATOM 725 H VAL A 71 14.883 -15.761 -2.872 1.00 0.00 H ATOM 726 N ILE A 72 16.918 -18.396 -0.749 1.00 36.92 N ATOM 727 CA ILE A 72 16.796 -19.851 -0.683 1.00 37.38 C ATOM 728 C ILE A 72 17.097 -20.250 0.758 1.00 37.08 C ATOM 729 O ILE A 72 18.170 -19.956 1.271 1.00 35.94 O ATOM 730 CB ILE A 72 17.763 -20.557 -1.656 1.00 37.30 C ATOM 731 CG1 ILE A 72 17.457 -20.180 -3.118 1.00 38.87 C ATOM 732 CG2 ILE A 72 17.747 -22.064 -1.445 1.00 37.80 C ATOM 733 CD1 ILE A 72 16.150 -20.737 -3.686 1.00 40.30 C ATOM 734 H ILE A 72 17.808 -17.953 -0.444 1.00 0.00 H ATOM 735 N ASN A 73 16.148 -20.911 1.412 1.00 37.27 N ATOM 736 CA ASN A 73 16.348 -21.416 2.773 1.00 38.91 C ATOM 737 C ASN A 73 16.813 -22.873 2.702 1.00 38.08 C ATOM 738 O ASN A 73 16.253 -23.676 1.937 1.00 41.44 O ATOM 739 CB ASN A 73 15.045 -21.316 3.579 1.00 41.82 C ATOM 740 CG ASN A 73 14.532 -19.896 3.667 1.00 43.92 C ATOM 741 OD1 ASN A 73 13.652 -19.491 2.913 1.00 49.58 O ATOM 742 ND2 ASN A 73 15.101 -19.129 4.558 1.00 44.58 N ATOM 743 HD22 ASN A 73 15.843 -19.513 5.177 1.00 0.00 H ATOM 744 HD21 ASN A 73 14.812 -18.134 4.648 1.00 0.00 H ATOM 745 H ASN A 73 15.234 -21.075 0.943 1.00 0.00 H ATOM 746 N LEU A 74 17.852 -23.209 3.452 1.00 37.99 N ATOM 747 CA LEU A 74 18.293 -24.589 3.576 1.00 37.00 C ATOM 748 C LEU A 74 17.653 -25.236 4.796 1.00 36.18 C ATOM 749 O LEU A 74 17.120 -24.551 5.669 1.00 34.40 O ATOM 750 CB LEU A 74 19.807 -24.677 3.697 1.00 37.77 C ATOM 751 CG LEU A 74 20.608 -23.956 2.604 1.00 39.23 C ATOM 752 CD1 LEU A 74 22.078 -24.345 2.728 1.00 38.88 C ATOM 753 CD2 LEU A 74 20.039 -24.313 1.245 1.00 38.45 C ATOM 754 H LEU A 74 18.366 -22.465 3.966 1.00 0.00 H ATOM 755 N ASP A 75 17.679 -26.558 4.813 1.00 35.54 N ATOM 756 CA ASP A 75 17.263 -27.356 5.976 1.00 37.89 C ATOM 757 C ASP A 75 17.831 -26.680 7.261 1.00 36.88 C ATOM 758 O ASP A 75 19.029 -26.534 7.361 1.00 35.53 O ATOM 759 CB ASP A 75 17.836 -28.770 5.819 1.00 39.05 C ATOM 760 CG ASP A 75 17.434 -29.726 6.946 1.00 42.74 C ATOM 761 OD1 ASP A 75 17.070 -29.271 8.043 1.00 44.42 O ATOM 762 OD2 ASP A 75 17.468 -30.949 6.695 1.00 44.67 O ATOM 763 H ASP A 75 18.010 -27.057 3.963 1.00 0.00 H ATOM 764 N PRO A 76 16.971 -26.277 8.218 1.00 39.23 N ATOM 765 CA PRO A 76 17.486 -25.608 9.445 1.00 40.11 C ATOM 766 C PRO A 76 18.399 -26.448 10.347 1.00 38.56 C ATOM 767 O PRO A 76 19.020 -25.888 11.252 1.00 40.24 O ATOM 768 CB PRO A 76 16.198 -25.210 10.182 1.00 41.73 C ATOM 769 CG PRO A 76 15.247 -26.271 9.778 1.00 42.64 C ATOM 770 CD PRO A 76 15.507 -26.408 8.291 1.00 41.27 C ATOM 771 N GLU A 77 18.541 -27.750 10.097 1.00 36.71 N ATOM 772 CA GLU A 77 19.559 -28.539 10.787 1.00 39.78 C ATOM 773 C GLU A 77 20.942 -28.473 10.183 1.00 40.16 C ATOM 774 O GLU A 77 21.885 -29.021 10.753 1.00 44.14 O ATOM 775 CB GLU A 77 19.164 -30.007 10.832 1.00 42.44 C ATOM 776 CG GLU A 77 17.875 -30.252 11.539 1.00 43.76 C ATOM 777 CD GLU A 77 17.647 -31.731 11.775 1.00 47.03 C ATOM 778 OE1 GLU A 77 18.567 -32.549 11.570 1.00 51.73 O ATOM 779 OE2 GLU A 77 16.540 -32.061 12.149 1.00 48.27 O ATOM 780 H GLU A 77 17.919 -28.210 9.402 1.00 0.00 H ATOM 781 N ILE A 78 21.069 -27.829 9.028 1.00 38.33 N ATOM 782 CA ILE A 78 22.365 -27.645 8.408 1.00 38.75 C ATOM 783 C ILE A 78 23.177 -26.662 9.238 1.00 39.06 C ATOM 784 O ILE A 78 22.731 -25.569 9.621 1.00 38.45 O ATOM 785 CB ILE A 78 22.259 -27.165 6.935 1.00 37.63 C ATOM 786 CG1 ILE A 78 21.638 -28.274 6.070 1.00 39.56 C ATOM 787 CG2 ILE A 78 23.603 -26.753 6.355 1.00 38.34 C ATOM 788 CD1 ILE A 78 22.461 -29.545 5.962 1.00 41.27 C ATOM 789 H ILE A 78 20.221 -27.450 8.560 1.00 0.00 H ATOM 790 N ASN A 79 24.384 -27.112 9.494 1.00 40.11 N ATOM 791 CA ASN A 79 25.385 -26.339 10.146 1.00 42.16 C ATOM 792 C ASN A 79 25.860 -25.181 9.244 1.00 41.37 C ATOM 793 O ASN A 79 26.396 -25.424 8.159 1.00 39.34 O ATOM 794 CB ASN A 79 26.528 -27.291 10.470 1.00 43.36 C ATOM 795 CG ASN A 79 27.584 -26.652 11.304 1.00 45.15 C ATOM 796 OD1 ASN A 79 28.027 -25.536 11.007 1.00 44.65 O ATOM 797 ND2 ASN A 79 28.023 -27.360 12.342 1.00 42.97 N ATOM 798 HD22 ASN A 79 27.613 -28.294 12.545 1.00 0.00 H ATOM 799 HD21 ASN A 79 28.776 -26.979 12.950 1.00 0.00 H ATOM 800 H ASN A 79 24.620 -28.083 9.205 1.00 0.00 H ATOM 801 N PRO A 80 25.700 -23.927 9.699 1.00 41.51 N ATOM 802 CA PRO A 80 26.182 -22.777 8.938 1.00 41.97 C ATOM 803 C PRO A 80 27.693 -22.676 8.704 1.00 41.17 C ATOM 804 O PRO A 80 28.108 -22.151 7.659 1.00 38.45 O ATOM 805 CB PRO A 80 25.682 -21.572 9.742 1.00 43.80 C ATOM 806 CG PRO A 80 25.332 -22.083 11.071 1.00 44.47 C ATOM 807 CD PRO A 80 24.984 -23.524 10.930 1.00 44.55 C ATOM 808 N GLU A 81 28.510 -23.158 9.650 1.00 39.24 N ATOM 809 CA GLU A 81 29.946 -23.220 9.441 1.00 41.76 C ATOM 810 C GLU A 81 30.268 -24.233 8.344 1.00 37.37 C ATOM 811 O GLU A 81 31.117 -23.979 7.505 1.00 37.69 O ATOM 812 CB GLU A 81 30.710 -23.585 10.735 1.00 45.43 C ATOM 813 CG GLU A 81 32.223 -23.515 10.541 1.00 51.08 C ATOM 814 CD GLU A 81 33.011 -23.732 11.821 1.00 57.46 C ATOM 815 OE1 GLU A 81 33.247 -24.903 12.205 1.00 62.74 O ATOM 816 OE2 GLU A 81 33.417 -22.723 12.435 1.00 65.06 O ATOM 817 H GLU A 81 28.109 -23.493 10.549 1.00 0.00 H ATOM 818 N GLY A 82 29.595 -25.376 8.374 1.00 35.36 N ATOM 819 CA GLY A 82 29.666 -26.381 7.317 1.00 35.28 C ATOM 820 C GLY A 82 29.346 -25.774 5.957 1.00 33.91 C ATOM 821 O GLY A 82 30.097 -25.949 4.994 1.00 32.97 O ATOM 822 H GLY A 82 28.984 -25.566 9.194 1.00 0.00 H ATOM 823 N PHE A 83 28.269 -24.996 5.888 1.00 33.53 N ATOM 824 CA PHE A 83 27.926 -24.344 4.621 1.00 33.32 C ATOM 825 C PHE A 83 28.989 -23.331 4.189 1.00 33.35 C ATOM 826 O PHE A 83 29.350 -23.284 3.021 1.00 32.58 O ATOM 827 CB PHE A 83 26.563 -23.672 4.686 1.00 34.38 C ATOM 828 CG PHE A 83 26.151 -23.080 3.372 1.00 33.35 C ATOM 829 CD1 PHE A 83 25.695 -23.901 2.354 1.00 34.11 C ATOM 830 CD2 PHE A 83 26.283 -21.735 3.132 1.00 33.43 C ATOM 831 CE1 PHE A 83 25.344 -23.372 1.114 1.00 32.45 C ATOM 832 CE2 PHE A 83 25.926 -21.189 1.907 1.00 33.47 C ATOM 833 CZ PHE A 83 25.464 -22.020 0.896 1.00 33.35 C ATOM 834 H PHE A 83 27.674 -24.851 6.728 1.00 0.00 H ATOM 835 N CYS A 84 29.448 -22.500 5.126 1.00 34.84 N ATOM 836 CA CYS A 84 30.466 -21.472 4.857 1.00 36.83 C ATOM 837 C CYS A 84 31.751 -22.090 4.308 1.00 35.44 C ATOM 838 O CYS A 84 32.315 -21.604 3.329 1.00 34.46 O ATOM 839 CB CYS A 84 30.768 -20.669 6.117 1.00 39.13 C ATOM 840 SG CYS A 84 31.922 -19.326 5.793 1.00 46.17 S ATOM 841 H CYS A 84 29.069 -22.582 6.091 1.00 0.00 H ATOM 842 N ILE A 85 32.176 -23.192 4.918 1.00 34.70 N ATOM 843 CA ILE A 85 33.331 -23.986 4.438 1.00 35.72 C ATOM 844 C ILE A 85 33.167 -24.460 2.986 1.00 34.18 C ATOM 845 O ILE A 85 34.098 -24.320 2.167 1.00 33.05 O ATOM 846 CB ILE A 85 33.618 -25.168 5.419 1.00 35.85 C ATOM 847 CG1 ILE A 85 34.313 -24.609 6.676 1.00 36.81 C ATOM 848 CG2 ILE A 85 34.465 -26.262 4.768 1.00 37.59 C ATOM 849 CD1 ILE A 85 34.166 -25.476 7.894 1.00 38.27 C ATOM 850 H ILE A 85 31.675 -23.511 5.771 1.00 0.00 H ATOM 851 N LEU A 86 31.975 -24.962 2.664 1.00 32.44 N ATOM 852 CA LEU A 86 31.699 -25.446 1.309 1.00 32.36 C ATOM 853 C LEU A 86 31.534 -24.310 0.301 1.00 31.92 C ATOM 854 O LEU A 86 31.987 -24.455 -0.839 1.00 30.60 O ATOM 855 CB LEU A 86 30.509 -26.414 1.263 1.00 32.37 C ATOM 856 CG LEU A 86 30.747 -27.781 1.947 1.00 34.72 C ATOM 857 CD1 LEU A 86 29.461 -28.552 2.145 1.00 34.99 C ATOM 858 CD2 LEU A 86 31.692 -28.636 1.137 1.00 35.88 C ATOM 859 H LEU A 86 31.229 -25.011 3.387 1.00 0.00 H ATOM 860 N LEU A 87 30.911 -23.202 0.709 1.00 31.13 N ATOM 861 CA LEU A 87 30.776 -22.028 -0.153 1.00 31.72 C ATOM 862 C LEU A 87 32.148 -21.460 -0.508 1.00 31.64 C ATOM 863 O LEU A 87 32.442 -21.110 -1.676 1.00 31.07 O ATOM 864 CB LEU A 87 29.920 -20.955 0.516 1.00 32.56 C ATOM 865 CG LEU A 87 29.553 -19.730 -0.308 1.00 33.70 C ATOM 866 CD1 LEU A 87 28.829 -20.096 -1.582 1.00 34.34 C ATOM 867 CD2 LEU A 87 28.676 -18.807 0.515 1.00 34.78 C ATOM 868 H LEU A 87 30.510 -23.173 1.668 1.00 0.00 H ATOM 869 N ASP A 88 32.999 -21.374 0.503 1.00 32.35 N ATOM 870 CA ASP A 88 34.391 -20.983 0.288 1.00 34.07 C ATOM 871 C ASP A 88 35.094 -21.917 -0.666 1.00 31.94 C ATOM 872 O ASP A 88 35.802 -21.455 -1.560 1.00 32.67 O ATOM 873 CB ASP A 88 35.148 -20.869 1.616 1.00 37.16 C ATOM 874 CG ASP A 88 34.778 -19.598 2.406 1.00 41.11 C ATOM 875 OD1 ASP A 88 34.296 -18.609 1.819 1.00 42.08 O ATOM 876 OD2 ASP A 88 34.989 -19.582 3.637 1.00 43.92 O ATOM 877 H ASP A 88 32.671 -21.588 1.466 1.00 0.00 H ATOM 878 N PHE A 89 34.912 -23.218 -0.484 1.00 30.95 N ATOM 879 CA PHE A 89 35.476 -24.222 -1.399 1.00 31.39 C ATOM 880 C PHE A 89 35.004 -23.986 -2.832 1.00 30.40 C ATOM 881 O PHE A 89 35.785 -24.074 -3.801 1.00 29.83 O ATOM 882 CB PHE A 89 35.099 -25.642 -0.958 1.00 31.81 C ATOM 883 CG PHE A 89 35.319 -26.656 -2.018 1.00 32.53 C ATOM 884 CD1 PHE A 89 36.616 -27.027 -2.362 1.00 33.76 C ATOM 885 CD2 PHE A 89 34.263 -27.182 -2.728 1.00 32.98 C ATOM 886 CE1 PHE A 89 36.847 -27.931 -3.371 1.00 33.96 C ATOM 887 CE2 PHE A 89 34.481 -28.089 -3.748 1.00 33.76 C ATOM 888 CZ PHE A 89 35.776 -28.481 -4.056 1.00 34.23 C ATOM 889 H PHE A 89 34.352 -23.539 0.332 1.00 0.00 H ATOM 890 N MET A 90 33.706 -23.733 -2.988 1.00 29.38 N ATOM 891 CA MET A 90 33.175 -23.479 -4.331 1.00 29.95 C ATOM 892 C MET A 90 33.946 -22.367 -5.053 1.00 29.26 C ATOM 893 O MET A 90 34.263 -22.474 -6.240 1.00 30.45 O ATOM 894 CB MET A 90 31.701 -23.080 -4.292 1.00 30.15 C ATOM 895 CG MET A 90 30.783 -24.141 -3.739 1.00 30.56 C ATOM 896 SD MET A 90 29.072 -23.612 -3.893 1.00 30.90 S ATOM 897 CE MET A 90 28.342 -24.962 -2.989 1.00 32.58 C ATOM 898 H MET A 90 33.073 -23.716 -2.163 1.00 0.00 H ATOM 899 N TYR A 91 34.229 -21.295 -4.312 1.00 28.67 N ATOM 900 CA TYR A 91 34.856 -20.105 -4.863 1.00 29.68 C ATOM 901 C TYR A 91 36.402 -20.097 -4.886 1.00 30.62 C ATOM 902 O TYR A 91 37.019 -19.166 -5.408 1.00 31.07 O ATOM 903 CB TYR A 91 34.322 -18.894 -4.086 1.00 29.54 C ATOM 904 CG TYR A 91 32.995 -18.353 -4.590 1.00 28.02 C ATOM 905 CD1 TYR A 91 32.948 -17.350 -5.571 1.00 28.17 C ATOM 906 CD2 TYR A 91 31.800 -18.787 -4.050 1.00 28.38 C ATOM 907 CE1 TYR A 91 31.732 -16.814 -5.995 1.00 28.52 C ATOM 908 CE2 TYR A 91 30.593 -18.277 -4.486 1.00 28.59 C ATOM 909 CZ TYR A 91 30.563 -17.268 -5.426 1.00 27.49 C ATOM 910 OH TYR A 91 29.328 -16.809 -5.812 1.00 29.50 O ATOM 911 HH TYR A 91 29.439 -16.091 -6.485 1.00 0.00 H ATOM 912 H TYR A 91 33.992 -21.311 -3.300 1.00 0.00 H ATOM 913 N THR A 92 37.020 -21.135 -4.329 1.00 31.03 N ATOM 914 CA THR A 92 38.486 -21.157 -4.138 1.00 32.90 C ATOM 915 C THR A 92 39.243 -22.465 -4.458 1.00 33.88 C ATOM 916 O THR A 92 40.461 -22.412 -4.594 1.00 32.81 O ATOM 917 CB THR A 92 38.894 -20.800 -2.688 1.00 33.66 C ATOM 918 OG1 THR A 92 38.498 -21.830 -1.758 1.00 32.42 O ATOM 919 CG2 THR A 92 38.358 -19.454 -2.245 1.00 34.16 C ATOM 920 HG1 THR A 92 37.515 -21.941 -1.789 1.00 0.00 H ATOM 921 H THR A 92 36.457 -21.953 -4.020 1.00 0.00 H ATOM 922 N SER A 93 38.543 -23.600 -4.552 1.00 32.21 N ATOM 923 CA SER A 93 39.137 -24.956 -4.636 1.00 32.64 C ATOM 924 C SER A 93 39.745 -25.493 -3.332 1.00 34.49 C ATOM 925 O SER A 93 40.232 -26.619 -3.321 1.00 34.66 O ATOM 926 CB SER A 93 40.159 -25.098 -5.761 1.00 33.19 C ATOM 927 OG SER A 93 39.721 -24.498 -6.966 1.00 32.24 O ATOM 928 HG SER A 93 40.414 -24.616 -7.663 1.00 0.00 H ATOM 929 H SER A 93 37.506 -23.527 -4.567 1.00 0.00 H ATOM 930 N ARG A 94 39.680 -24.712 -2.255 1.00 35.47 N ATOM 931 CA ARG A 94 40.319 -25.021 -0.975 1.00 38.16 C ATOM 932 C ARG A 94 39.244 -25.483 0.005 1.00 37.86 C ATOM 933 O ARG A 94 38.245 -24.759 0.223 1.00 36.15 O ATOM 934 CB ARG A 94 41.081 -23.784 -0.466 1.00 43.18 C ATOM 935 CG ARG A 94 42.387 -23.542 -1.228 1.00 49.04 C ATOM 936 CD ARG A 94 42.821 -22.085 -1.500 1.00 55.13 C ATOM 937 NE ARG A 94 42.226 -21.072 -0.602 1.00 60.68 N ATOM 938 CZ ARG A 94 42.084 -19.767 -0.891 1.00 61.27 C ATOM 939 NH1 ARG A 94 41.502 -18.959 -0.005 1.00 61.63 N ATOM 940 NH2 ARG A 94 42.502 -19.252 -2.049 1.00 63.63 N ATOM 941 HE ARG A 94 41.890 -21.395 0.328 1.00 0.00 H ATOM 942 HH12 ARG A 94 41.388 -17.948 -0.220 1.00 0.00 H ATOM 943 HH11 ARG A 94 41.162 -19.340 0.901 1.00 0.00 H ATOM 944 HH22 ARG A 94 42.377 -18.238 -2.242 1.00 0.00 H ATOM 945 HH21 ARG A 94 42.952 -19.865 -2.758 1.00 0.00 H ATOM 946 H ARG A 94 39.141 -23.826 -2.328 1.00 0.00 H ATOM 947 N LEU A 95 39.413 -26.695 0.552 1.00 37.38 N ATOM 948 CA LEU A 95 38.450 -27.291 1.518 1.00 37.34 C ATOM 949 C LEU A 95 39.100 -27.378 2.889 1.00 39.55 C ATOM 950 O LEU A 95 40.012 -28.187 3.091 1.00 39.68 O ATOM 951 CB LEU A 95 38.031 -28.690 1.066 1.00 38.39 C ATOM 952 CG LEU A 95 36.917 -29.378 1.874 1.00 39.11 C ATOM 953 CD1 LEU A 95 35.580 -28.666 1.648 1.00 39.62 C ATOM 954 CD2 LEU A 95 36.798 -30.828 1.450 1.00 39.05 C ATOM 955 H LEU A 95 40.256 -27.244 0.289 1.00 0.00 H ATOM 956 N ASN A 96 38.655 -26.535 3.808 1.00 39.78 N ATOM 957 CA ASN A 96 39.251 -26.456 5.132 1.00 42.25 C ATOM 958 C ASN A 96 38.635 -27.524 6.036 1.00 42.12 C ATOM 959 O ASN A 96 37.805 -27.236 6.869 1.00 42.10 O ATOM 960 CB ASN A 96 39.067 -25.052 5.726 1.00 44.53 C ATOM 961 CG ASN A 96 39.842 -24.856 7.036 1.00 50.48 C ATOM 962 OD1 ASN A 96 39.464 -24.032 7.871 1.00 55.87 O ATOM 963 ND2 ASN A 96 40.897 -25.640 7.235 1.00 51.74 N ATOM 964 HD22 ASN A 96 41.183 -26.323 6.504 1.00 0.00 H ATOM 965 HD21 ASN A 96 41.437 -25.571 8.121 1.00 0.00 H ATOM 966 H ASN A 96 37.856 -25.911 3.576 1.00 0.00 H ATOM 967 N LEU A 97 39.052 -28.764 5.834 1.00 42.67 N ATOM 968 CA LEU A 97 38.549 -29.899 6.609 1.00 44.73 C ATOM 969 C LEU A 97 39.379 -30.012 7.880 1.00 44.64 C ATOM 970 O LEU A 97 40.607 -29.950 7.808 1.00 42.86 O ATOM 971 CB LEU A 97 38.731 -31.190 5.798 1.00 46.76 C ATOM 972 CG LEU A 97 37.575 -32.154 5.640 1.00 48.56 C ATOM 973 CD1 LEU A 97 36.312 -31.406 5.206 1.00 48.84 C ATOM 974 CD2 LEU A 97 37.953 -33.233 4.626 1.00 48.71 C ATOM 975 H LEU A 97 39.764 -28.938 5.096 1.00 0.00 H ATOM 976 N ARG A 98 38.717 -30.252 9.004 1.00 45.48 N ATOM 977 CA ARG A 98 39.370 -30.401 10.304 1.00 47.10 C ATOM 978 C ARG A 98 38.650 -31.479 11.088 1.00 46.26 C ATOM 979 O ARG A 98 37.448 -31.718 10.880 1.00 42.92 O ATOM 980 CB ARG A 98 39.296 -29.098 11.095 1.00 51.40 C ATOM 981 CG ARG A 98 40.034 -27.925 10.459 1.00 56.18 C ATOM 982 CD ARG A 98 40.152 -26.746 11.421 1.00 61.69 C ATOM 983 NE ARG A 98 41.400 -26.007 11.174 1.00 68.12 N ATOM 984 CZ ARG A 98 41.515 -24.789 10.629 1.00 70.49 C ATOM 985 NH1 ARG A 98 42.731 -24.271 10.465 1.00 73.00 N ATOM 986 NH2 ARG A 98 40.452 -24.070 10.261 1.00 70.63 N ATOM 987 HE ARG A 98 42.284 -26.479 11.451 1.00 0.00 H ATOM 988 HH12 ARG A 98 42.841 -23.327 10.044 1.00 0.00 H ATOM 989 HH11 ARG A 98 43.570 -24.811 10.758 1.00 0.00 H ATOM 990 HH22 ARG A 98 40.582 -23.128 9.841 1.00 0.00 H ATOM 991 HH21 ARG A 98 39.494 -24.452 10.394 1.00 0.00 H ATOM 992 H ARG A 98 37.682 -30.339 8.959 1.00 0.00 H ATOM 993 N GLU A 99 39.347 -32.076 12.048 1.00 45.07 N ATOM 994 CA GLU A 99 38.717 -33.095 12.890 1.00 46.29 C ATOM 995 C GLU A 99 37.420 -32.585 13.504 1.00 42.62 C ATOM 996 O GLU A 99 36.434 -33.296 13.515 1.00 40.48 O ATOM 997 CB GLU A 99 39.659 -33.553 14.006 1.00 49.08 C ATOM 998 CG GLU A 99 39.103 -34.717 14.821 1.00 52.37 C ATOM 999 CD GLU A 99 40.090 -35.219 15.856 1.00 57.34 C ATOM 1000 OE1 GLU A 99 40.013 -36.414 16.228 1.00 64.04 O ATOM 1001 OE2 GLU A 99 40.941 -34.416 16.305 1.00 58.06 O ATOM 1002 H GLU A 99 40.343 -31.819 12.202 1.00 0.00 H ATOM 1003 N GLY A 100 37.430 -31.354 14.010 1.00 43.49 N ATOM 1004 CA GLY A 100 36.257 -30.779 14.684 1.00 43.94 C ATOM 1005 C GLY A 100 35.095 -30.350 13.791 1.00 44.29 C ATOM 1006 O GLY A 100 34.008 -30.052 14.310 1.00 43.50 O ATOM 1007 H GLY A 100 38.294 -30.781 13.926 1.00 0.00 H ATOM 1008 N ASN A 101 35.312 -30.273 12.470 1.00 43.33 N ATOM 1009 CA ASN A 101 34.237 -29.911 11.519 1.00 42.54 C ATOM 1010 C ASN A 101 33.866 -30.976 10.459 1.00 41.38 C ATOM 1011 O ASN A 101 32.902 -30.772 9.724 1.00 40.34 O ATOM 1012 CB ASN A 101 34.567 -28.573 10.822 1.00 42.02 C ATOM 1013 CG ASN A 101 35.698 -28.674 9.796 1.00 41.63 C ATOM 1014 OD1 ASN A 101 35.937 -29.722 9.195 1.00 39.62 O ATOM 1015 ND2 ASN A 101 36.412 -27.567 9.596 1.00 44.76 N ATOM 1016 HD22 ASN A 101 36.183 -26.699 10.121 1.00 0.00 H ATOM 1017 HD21 ASN A 101 37.198 -27.571 8.915 1.00 0.00 H ATOM 1018 H ASN A 101 36.264 -30.474 12.103 1.00 0.00 H ATOM 1019 N ILE A 102 34.632 -32.061 10.337 1.00 41.36 N ATOM 1020 CA ILE A 102 34.465 -32.991 9.193 1.00 39.50 C ATOM 1021 C ILE A 102 33.071 -33.625 9.115 1.00 39.50 C ATOM 1022 O ILE A 102 32.490 -33.745 8.023 1.00 39.01 O ATOM 1023 CB ILE A 102 35.596 -34.056 9.088 1.00 40.92 C ATOM 1024 CG1 ILE A 102 35.386 -34.916 7.842 1.00 40.51 C ATOM 1025 CG2 ILE A 102 35.693 -34.943 10.320 1.00 42.58 C ATOM 1026 CD1 ILE A 102 36.578 -35.704 7.398 1.00 42.20 C ATOM 1027 H ILE A 102 35.358 -32.258 11.055 1.00 0.00 H ATOM 1028 N MET A 103 32.510 -34.002 10.259 1.00 39.83 N ATOM 1029 CA MET A 103 31.178 -34.603 10.256 1.00 40.62 C ATOM 1030 C MET A 103 30.111 -33.607 9.758 1.00 38.96 C ATOM 1031 O MET A 103 29.273 -33.982 8.939 1.00 38.46 O ATOM 1032 CB MET A 103 30.832 -35.176 11.629 1.00 43.55 C ATOM 1033 CG MET A 103 31.764 -36.305 12.073 1.00 47.35 C ATOM 1034 SD MET A 103 32.023 -37.619 10.852 1.00 51.46 S ATOM 1035 CE MET A 103 30.406 -38.399 10.840 1.00 54.53 C ATOM 1036 H MET A 103 33.019 -33.869 11.156 1.00 0.00 H ATOM 1037 N ALA A 104 30.184 -32.353 10.213 1.00 38.60 N ATOM 1038 CA ALA A 104 29.289 -31.288 9.755 1.00 38.23 C ATOM 1039 C ALA A 104 29.455 -30.973 8.274 1.00 37.62 C ATOM 1040 O ALA A 104 28.463 -30.781 7.547 1.00 37.31 O ATOM 1041 CB ALA A 104 29.493 -30.035 10.571 1.00 38.73 C ATOM 1042 H ALA A 104 30.908 -32.123 10.923 1.00 0.00 H ATOM 1043 N VAL A 105 30.703 -30.932 7.819 1.00 36.86 N ATOM 1044 CA VAL A 105 30.992 -30.643 6.431 1.00 36.28 C ATOM 1045 C VAL A 105 30.475 -31.778 5.552 1.00 35.66 C ATOM 1046 O VAL A 105 29.850 -31.515 4.524 1.00 35.09 O ATOM 1047 CB VAL A 105 32.492 -30.384 6.161 1.00 36.40 C ATOM 1048 CG1 VAL A 105 32.747 -30.220 4.660 1.00 36.54 C ATOM 1049 CG2 VAL A 105 32.969 -29.133 6.894 1.00 37.12 C ATOM 1050 H VAL A 105 31.490 -31.112 8.475 1.00 0.00 H ATOM 1051 N MET A 106 30.726 -33.023 5.942 1.00 37.32 N ATOM 1052 CA MET A 106 30.237 -34.176 5.178 1.00 37.69 C ATOM 1053 C MET A 106 28.722 -34.185 5.046 1.00 37.48 C ATOM 1054 O MET A 106 28.211 -34.391 3.954 1.00 37.12 O ATOM 1055 CB MET A 106 30.690 -35.526 5.762 1.00 41.31 C ATOM 1056 CG MET A 106 30.394 -36.686 4.802 1.00 43.38 C ATOM 1057 SD MET A 106 31.118 -38.255 5.333 1.00 48.85 S ATOM 1058 CE MET A 106 30.374 -38.474 6.940 1.00 49.76 C ATOM 1059 H MET A 106 31.281 -33.184 6.807 1.00 0.00 H ATOM 1060 N ALA A 107 28.018 -33.954 6.150 1.00 38.24 N ATOM 1061 CA ALA A 107 26.558 -33.903 6.152 1.00 36.94 C ATOM 1062 C ALA A 107 26.052 -32.799 5.248 1.00 35.97 C ATOM 1063 O ALA A 107 25.101 -32.991 4.484 1.00 35.12 O ATOM 1064 CB ALA A 107 26.039 -33.708 7.571 1.00 38.30 C ATOM 1065 H ALA A 107 28.526 -33.804 7.045 1.00 0.00 H ATOM 1066 N THR A 108 26.705 -31.645 5.315 1.00 35.34 N ATOM 1067 CA THR A 108 26.335 -30.534 4.474 1.00 34.53 C ATOM 1068 C THR A 108 26.574 -30.839 2.984 1.00 34.49 C ATOM 1069 O THR A 108 25.741 -30.498 2.146 1.00 35.39 O ATOM 1070 CB THR A 108 27.046 -29.232 4.907 1.00 35.44 C ATOM 1071 OG1 THR A 108 26.911 -29.065 6.334 1.00 36.36 O ATOM 1072 CG2 THR A 108 26.418 -28.050 4.220 1.00 35.34 C ATOM 1073 HG1 THR A 108 27.324 -29.837 6.796 1.00 0.00 H ATOM 1074 H THR A 108 27.495 -31.541 5.984 1.00 0.00 H ATOM 1075 N ALA A 109 27.704 -31.459 2.664 1.00 33.79 N ATOM 1076 CA ALA A 109 28.044 -31.802 1.282 1.00 34.44 C ATOM 1077 C ALA A 109 27.114 -32.862 0.707 1.00 36.23 C ATOM 1078 O ALA A 109 26.782 -32.813 -0.472 1.00 34.56 O ATOM 1079 CB ALA A 109 29.501 -32.233 1.169 1.00 34.54 C ATOM 1080 H ALA A 109 28.371 -31.710 3.422 1.00 0.00 H ATOM 1081 N MET A 110 26.659 -33.797 1.548 1.00 36.47 N ATOM 1082 CA MET A 110 25.601 -34.738 1.146 1.00 38.42 C ATOM 1083 C MET A 110 24.298 -34.039 0.788 1.00 37.17 C ATOM 1084 O MET A 110 23.734 -34.282 -0.257 1.00 36.36 O ATOM 1085 CB MET A 110 25.353 -35.766 2.265 1.00 40.33 C ATOM 1086 CG MET A 110 26.527 -36.692 2.476 1.00 42.63 C ATOM 1087 SD MET A 110 26.304 -37.825 3.881 1.00 49.70 S ATOM 1088 CE MET A 110 24.987 -38.823 3.208 1.00 50.90 C ATOM 1089 H MET A 110 27.061 -33.860 2.505 1.00 0.00 H ATOM 1090 N TYR A 111 23.839 -33.152 1.653 1.00 36.97 N ATOM 1091 CA TYR A 111 22.639 -32.355 1.395 1.00 36.44 C ATOM 1092 C TYR A 111 22.734 -31.538 0.075 1.00 35.63 C ATOM 1093 O TYR A 111 21.777 -31.501 -0.758 1.00 33.73 O ATOM 1094 CB TYR A 111 22.368 -31.489 2.617 1.00 36.31 C ATOM 1095 CG TYR A 111 21.289 -30.479 2.439 1.00 37.14 C ATOM 1096 CD1 TYR A 111 19.940 -30.851 2.473 1.00 39.44 C ATOM 1097 CD2 TYR A 111 21.598 -29.138 2.268 1.00 37.87 C ATOM 1098 CE1 TYR A 111 18.934 -29.903 2.308 1.00 40.01 C ATOM 1099 CE2 TYR A 111 20.604 -28.188 2.095 1.00 39.25 C ATOM 1100 CZ TYR A 111 19.274 -28.578 2.118 1.00 39.83 C ATOM 1101 OH TYR A 111 18.317 -27.615 1.965 1.00 40.77 O ATOM 1102 HH TYR A 111 17.421 -28.033 2.002 1.00 0.00 H ATOM 1103 H TYR A 111 24.349 -33.015 2.549 1.00 0.00 H ATOM 1104 N LEU A 112 23.889 -30.918 -0.138 1.00 33.61 N ATOM 1105 CA LEU A 112 24.111 -30.091 -1.336 1.00 34.09 C ATOM 1106 C LEU A 112 24.456 -30.885 -2.594 1.00 35.23 C ATOM 1107 O LEU A 112 24.549 -30.300 -3.686 1.00 35.32 O ATOM 1108 CB LEU A 112 25.236 -29.096 -1.068 1.00 33.15 C ATOM 1109 CG LEU A 112 24.996 -28.038 0.018 1.00 32.93 C ATOM 1110 CD1 LEU A 112 26.213 -27.114 0.091 1.00 33.17 C ATOM 1111 CD2 LEU A 112 23.752 -27.245 -0.283 1.00 33.08 C ATOM 1112 H LEU A 112 24.655 -31.019 0.558 1.00 0.00 H ATOM 1113 N GLN A 113 24.692 -32.190 -2.443 1.00 37.49 N ATOM 1114 CA GLN A 113 25.021 -33.088 -3.576 1.00 39.53 C ATOM 1115 C GLN A 113 26.345 -32.672 -4.229 1.00 40.30 C ATOM 1116 O GLN A 113 26.412 -32.372 -5.431 1.00 39.34 O ATOM 1117 CB GLN A 113 23.857 -33.158 -4.577 1.00 42.49 C ATOM 1118 CG GLN A 113 22.530 -33.571 -3.956 1.00 43.29 C ATOM 1119 CD GLN A 113 21.356 -33.353 -4.893 1.00 45.54 C ATOM 1120 OE1 GLN A 113 21.485 -33.527 -6.094 1.00 46.33 O ATOM 1121 NE2 GLN A 113 20.210 -32.957 -4.341 1.00 46.50 N ATOM 1122 HE22 GLN A 113 20.148 -32.822 -3.312 1.00 0.00 H ATOM 1123 HE21 GLN A 113 19.377 -32.783 -4.939 1.00 0.00 H ATOM 1124 H GLN A 113 24.643 -32.596 -1.487 1.00 0.00 H ATOM 1125 N MET A 114 27.381 -32.605 -3.386 1.00 39.19 N ATOM 1126 CA MET A 114 28.752 -32.297 -3.800 1.00 40.49 C ATOM 1127 C MET A 114 29.578 -33.589 -3.635 1.00 44.17 C ATOM 1128 O MET A 114 30.294 -33.769 -2.654 1.00 40.32 O ATOM 1129 CB MET A 114 29.297 -31.150 -2.963 1.00 38.81 C ATOM 1130 CG MET A 114 28.498 -29.859 -3.165 1.00 37.23 C ATOM 1131 SD MET A 114 28.985 -28.527 -2.054 1.00 36.51 S ATOM 1132 CE MET A 114 30.577 -28.070 -2.732 1.00 36.72 C ATOM 1133 H MET A 114 27.203 -32.782 -2.377 1.00 0.00 H ATOM 1134 N GLU A 115 29.443 -34.468 -4.630 1.00 47.84 N ATOM 1135 CA GLU A 115 29.904 -35.866 -4.554 1.00 52.22 C ATOM 1136 C GLU A 115 31.397 -36.015 -4.296 1.00 49.41 C ATOM 1137 O GLU A 115 31.774 -36.844 -3.485 1.00 49.89 O ATOM 1138 CB GLU A 115 29.551 -36.649 -5.833 1.00 58.09 C ATOM 1139 CG GLU A 115 28.167 -37.278 -5.852 1.00 64.04 C ATOM 1140 CD GLU A 115 27.892 -38.059 -7.145 1.00 71.04 C ATOM 1141 OE1 GLU A 115 28.818 -38.748 -7.662 1.00 72.74 O ATOM 1142 OE2 GLU A 115 26.742 -37.987 -7.648 1.00 73.94 O ATOM 1143 H GLU A 115 28.987 -34.149 -5.508 1.00 0.00 H ATOM 1144 N HIS A 116 32.225 -35.223 -4.982 1.00 48.45 N ATOM 1145 CA HIS A 116 33.688 -35.271 -4.799 1.00 48.73 C ATOM 1146 C HIS A 116 34.084 -34.922 -3.378 1.00 46.67 C ATOM 1147 O HIS A 116 34.974 -35.563 -2.797 1.00 44.80 O ATOM 1148 CB HIS A 116 34.413 -34.348 -5.779 1.00 51.90 C ATOM 1149 CG HIS A 116 34.613 -34.942 -7.136 1.00 57.07 C ATOM 1150 ND1 HIS A 116 35.251 -34.263 -8.153 1.00 60.57 N ATOM 1151 CD2 HIS A 116 34.280 -36.153 -7.643 1.00 59.96 C ATOM 1152 CE1 HIS A 116 35.289 -35.026 -9.232 1.00 61.42 C ATOM 1153 NE2 HIS A 116 34.708 -36.178 -8.947 1.00 62.08 N ATOM 1154 H HIS A 116 31.825 -34.551 -5.667 1.00 0.00 H ATOM 1155 N VAL A 117 33.399 -33.938 -2.796 1.00 41.61 N ATOM 1156 CA VAL A 117 33.667 -33.572 -1.410 1.00 40.10 C ATOM 1157 C VAL A 117 33.219 -34.664 -0.448 1.00 40.28 C ATOM 1158 O VAL A 117 33.934 -34.970 0.511 1.00 39.66 O ATOM 1159 CB VAL A 117 33.005 -32.231 -1.031 1.00 38.91 C ATOM 1160 CG1 VAL A 117 33.172 -31.950 0.452 1.00 38.57 C ATOM 1161 CG2 VAL A 117 33.600 -31.111 -1.891 1.00 39.57 C ATOM 1162 H VAL A 117 32.669 -33.428 -3.333 1.00 0.00 H ATOM 1163 N VAL A 118 32.033 -35.221 -0.677 1.00 41.10 N ATOM 1164 CA VAL A 118 31.547 -36.327 0.168 1.00 43.01 C ATOM 1165 C VAL A 118 32.573 -37.461 0.198 1.00 43.59 C ATOM 1166 O VAL A 118 32.935 -37.923 1.260 1.00 41.85 O ATOM 1167 CB VAL A 118 30.189 -36.881 -0.297 1.00 43.27 C ATOM 1168 CG1 VAL A 118 29.799 -38.101 0.542 1.00 44.50 C ATOM 1169 CG2 VAL A 118 29.119 -35.797 -0.169 1.00 42.54 C ATOM 1170 H VAL A 118 31.443 -34.873 -1.460 1.00 0.00 H ATOM 1171 N ASP A 119 33.033 -37.873 -0.977 1.00 45.83 N ATOM 1172 CA ASP A 119 33.975 -38.989 -1.105 1.00 48.36 C ATOM 1173 C ASP A 119 35.286 -38.702 -0.380 1.00 46.44 C ATOM 1174 O ASP A 119 35.889 -39.585 0.229 1.00 45.24 O ATOM 1175 CB ASP A 119 34.269 -39.268 -2.584 1.00 50.76 C ATOM 1176 CG ASP A 119 33.058 -39.798 -3.337 1.00 55.16 C ATOM 1177 OD1 ASP A 119 32.018 -40.115 -2.705 1.00 58.69 O ATOM 1178 OD2 ASP A 119 33.144 -39.887 -4.582 1.00 57.91 O ATOM 1179 H ASP A 119 32.713 -37.386 -1.839 1.00 0.00 H ATOM 1180 N THR A 120 35.732 -37.462 -0.485 1.00 43.93 N ATOM 1181 CA THR A 120 36.920 -37.011 0.199 1.00 43.91 C ATOM 1182 C THR A 120 36.730 -37.082 1.708 1.00 43.33 C ATOM 1183 O THR A 120 37.582 -37.630 2.401 1.00 43.16 O ATOM 1184 CB THR A 120 37.293 -35.597 -0.264 1.00 43.77 C ATOM 1185 OG1 THR A 120 37.632 -35.664 -1.646 1.00 44.44 O ATOM 1186 CG2 THR A 120 38.462 -35.026 0.504 1.00 44.23 C ATOM 1187 HG1 THR A 120 36.855 -35.999 -2.159 1.00 0.00 H ATOM 1188 H THR A 120 35.209 -36.789 -1.081 1.00 0.00 H ATOM 1189 N CYS A 121 35.606 -36.582 2.220 1.00 41.40 N ATOM 1190 CA CYS A 121 35.331 -36.691 3.651 1.00 43.87 C ATOM 1191 C CYS A 121 35.317 -38.164 4.076 1.00 45.28 C ATOM 1192 O CYS A 121 35.897 -38.507 5.101 1.00 44.95 O ATOM 1193 CB CYS A 121 33.995 -36.038 4.022 1.00 42.95 C ATOM 1194 SG CYS A 121 33.989 -34.238 3.869 1.00 42.70 S ATOM 1195 H CYS A 121 34.920 -36.111 1.597 1.00 0.00 H ATOM 1196 N ARG A 122 34.687 -39.024 3.271 1.00 48.00 N ATOM 1197 CA ARG A 122 34.622 -40.465 3.597 1.00 52.24 C ATOM 1198 C ARG A 122 36.018 -41.079 3.743 1.00 52.38 C ATOM 1199 O ARG A 122 36.279 -41.786 4.727 1.00 51.51 O ATOM 1200 CB ARG A 122 33.829 -41.247 2.549 1.00 55.10 C ATOM 1201 CG ARG A 122 32.339 -40.944 2.554 1.00 57.07 C ATOM 1202 CD ARG A 122 31.506 -42.164 2.210 1.00 61.01 C ATOM 1203 NE ARG A 122 30.078 -41.847 2.313 1.00 62.38 N ATOM 1204 CZ ARG A 122 29.242 -41.619 1.297 1.00 64.74 C ATOM 1205 NH1 ARG A 122 29.645 -41.676 0.028 1.00 65.67 N ATOM 1206 NH2 ARG A 122 27.961 -41.332 1.559 1.00 66.06 N ATOM 1207 HE ARG A 122 29.677 -41.795 3.271 1.00 0.00 H ATOM 1208 HH12 ARG A 122 28.969 -41.493 -0.741 1.00 0.00 H ATOM 1209 HH11 ARG A 122 30.635 -41.903 -0.193 1.00 0.00 H ATOM 1210 HH22 ARG A 122 27.298 -41.152 0.778 1.00 0.00 H ATOM 1211 HH21 ARG A 122 27.629 -41.289 2.544 1.00 0.00 H ATOM 1212 H ARG A 122 34.235 -38.675 2.402 1.00 0.00 H ATOM 1213 N LYS A 123 36.898 -40.793 2.779 1.00 52.37 N ATOM 1214 CA LYS A 123 38.294 -41.244 2.831 1.00 54.77 C ATOM 1215 C LYS A 123 39.024 -40.796 4.097 1.00 53.32 C ATOM 1216 O LYS A 123 39.706 -41.593 4.723 1.00 52.06 O ATOM 1217 CB LYS A 123 39.091 -40.757 1.629 1.00 57.88 C ATOM 1218 CG LYS A 123 38.767 -41.433 0.307 1.00 62.69 C ATOM 1219 CD LYS A 123 39.793 -41.043 -0.761 1.00 66.35 C ATOM 1220 CE LYS A 123 39.164 -40.553 -2.069 1.00 70.31 C ATOM 1221 NZ LYS A 123 38.364 -41.600 -2.774 1.00 73.00 N ATOM 1222 HZ1 LYS A 123 38.978 -42.406 -3.006 1.00 0.00 H ATOM 1223 HZ2 LYS A 123 37.591 -41.918 -2.156 1.00 0.00 H ATOM 1224 HZ3 LYS A 123 37.968 -41.201 -3.649 1.00 0.00 H ATOM 1225 H LYS A 123 36.583 -40.231 1.963 1.00 0.00 H ATOM 1226 N PHE A 124 38.895 -39.521 4.457 1.00 50.83 N ATOM 1227 CA PHE A 124 39.551 -38.995 5.656 1.00 52.12 C ATOM 1228 C PHE A 124 38.991 -39.619 6.944 1.00 53.35 C ATOM 1229 O PHE A 124 39.740 -39.839 7.907 1.00 55.29 O ATOM 1230 CB PHE A 124 39.465 -37.465 5.711 1.00 52.49 C ATOM 1231 CG PHE A 124 40.519 -36.769 4.896 1.00 54.15 C ATOM 1232 CD1 PHE A 124 40.472 -36.780 3.507 1.00 55.58 C ATOM 1233 CD2 PHE A 124 41.577 -36.116 5.515 1.00 56.36 C ATOM 1234 CE1 PHE A 124 41.454 -36.148 2.749 1.00 55.99 C ATOM 1235 CE2 PHE A 124 42.556 -35.478 4.764 1.00 56.44 C ATOM 1236 CZ PHE A 124 42.496 -35.495 3.382 1.00 56.12 C ATOM 1237 H PHE A 124 38.315 -38.884 3.874 1.00 0.00 H ATOM 1238 N ILE A 125 37.687 -39.906 6.969 1.00 53.40 N ATOM 1239 CA ILE A 125 37.080 -40.605 8.125 1.00 55.57 C ATOM 1240 C ILE A 125 37.601 -42.061 8.195 1.00 58.05 C ATOM 1241 O ILE A 125 38.066 -42.510 9.245 1.00 60.27 O ATOM 1242 CB ILE A 125 35.538 -40.545 8.081 1.00 54.79 C ATOM 1243 CG1 ILE A 125 35.061 -39.093 8.257 1.00 53.27 C ATOM 1244 CG2 ILE A 125 34.924 -41.437 9.156 1.00 55.06 C ATOM 1245 CD1 ILE A 125 33.650 -38.841 7.766 1.00 53.22 C ATOM 1246 H ILE A 125 37.088 -39.634 6.164 1.00 0.00 H ATOM 1247 N LYS A 126 37.534 -42.764 7.065 1.00 60.06 N ATOM 1248 CA LYS A 126 38.065 -44.123 6.902 1.00 62.43 C ATOM 1249 C LYS A 126 39.501 -44.264 7.434 1.00 65.24 C ATOM 1250 O LYS A 126 39.789 -45.182 8.202 1.00 62.51 O ATOM 1251 CB LYS A 126 37.992 -44.502 5.409 1.00 65.62 C ATOM 1252 CG LYS A 126 38.675 -45.791 4.974 1.00 68.96 C ATOM 1253 CD LYS A 126 37.922 -47.008 5.457 1.00 72.31 C ATOM 1254 CE LYS A 126 38.666 -48.273 5.075 1.00 74.91 C ATOM 1255 NZ LYS A 126 37.900 -49.470 5.486 1.00 77.54 N ATOM 1256 HZ1 LYS A 126 37.764 -49.456 6.517 1.00 0.00 H ATOM 1257 HZ2 LYS A 126 36.974 -49.467 5.013 1.00 0.00 H ATOM 1258 HZ3 LYS A 126 38.425 -50.326 5.216 1.00 0.00 H ATOM 1259 H LYS A 126 37.075 -42.320 6.244 1.00 0.00 H ATOM 1260 N ALA A 127 40.380 -43.344 7.025 1.00 64.93 N ATOM 1261 CA ALA A 127 41.789 -43.331 7.447 1.00 67.82 C ATOM 1262 C ALA A 127 41.995 -43.128 8.946 1.00 69.63 C ATOM 1263 O ALA A 127 42.995 -43.596 9.485 1.00 67.79 O ATOM 1264 CB ALA A 127 42.567 -42.266 6.684 1.00 67.02 C ATOM 1265 H ALA A 127 40.051 -42.601 6.376 1.00 0.00 H ATOM 1266 N SER A 128 41.068 -42.431 9.605 1.00 71.64 N ATOM 1267 CA SER A 128 41.151 -42.166 11.044 1.00 75.97 C ATOM 1268 C SER A 128 40.323 -43.142 11.900 1.00 79.63 C ATOM 1269 O SER A 128 39.784 -42.751 12.941 1.00 80.66 O ATOM 1270 CB SER A 128 40.740 -40.712 11.326 1.00 76.56 C ATOM 1271 OG SER A 128 39.341 -40.525 11.190 1.00 77.65 O ATOM 1272 HG SER A 128 38.867 -41.113 11.830 1.00 0.00 H ATOM 1273 H SER A 128 40.253 -42.060 9.076 1.00 0.00 H ATOM 1274 N GLU A 129 40.244 -44.406 11.471 1.00 81.89 N ATOM 1275 CA GLU A 129 39.524 -45.461 12.196 1.00 84.66 C ATOM 1276 C GLU A 129 40.362 -46.744 12.215 1.00 87.24 C ATOM 1277 O GLU A 129 41.589 -46.706 12.071 1.00 88.24 O ATOM 1278 CB GLU A 129 38.149 -45.707 11.553 1.00 85.16 C ATOM 1279 CG GLU A 129 37.128 -44.608 11.841 1.00 85.34 C ATOM 1280 CD GLU A 129 35.776 -44.821 11.165 1.00 85.46 C ATOM 1281 OE1 GLU A 129 35.698 -45.562 10.160 1.00 87.51 O ATOM 1282 OE2 GLU A 129 34.780 -44.230 11.639 1.00 85.69 O ATOM 1283 OXT GLU A 129 39.858 -47.856 12.380 1.00 89.12 O ATOM 1284 H GLU A 129 40.716 -44.655 10.579 1.00 0.00 H TER 1285 GLU A 129 HETATM 1286 O HOH 1 15.051 -30.774 13.404 1.00 29.07 O HETATM 1287 O HOH 2 45.087 -18.198 -10.059 1.00 42.75 O HETATM 1288 O HOH 3 21.337 -25.166 12.081 1.00 31.27 O HETATM 1289 O HOH 4 19.535 -32.754 -1.051 1.00 52.35 O HETATM 1290 O HOH 5 21.931 -30.025 13.147 1.00 46.78 O HETATM 1291 O HOH 6 24.799 -12.529 -11.236 1.00 37.42 O HETATM 1292 O HOH 7 24.456 -16.138 -11.190 1.00 40.78 O HETATM 1293 O HOH 8 15.177 -28.850 -11.673 1.00 47.10 O HETATM 1294 O HOH 9 44.285 -25.031 -19.047 1.00 54.33 O HETATM 1295 O HOH 10 29.050 -15.052 0.693 1.00 36.90 O HETATM 1296 O HOH 11 33.521 -30.571 16.859 1.00 48.40 O HETATM 1297 O HOH 12 34.761 -2.314 -8.098 1.00 61.27 O HETATM 1298 O HOH 13 34.319 -13.891 -0.775 1.00 42.59 O HETATM 1299 O HOH 14 16.896 -21.630 -15.049 1.00 45.45 O HETATM 1300 O HOH 15 31.655 -29.023 -5.979 1.00 46.69 O HETATM 1301 O HOH 16 29.545 -17.070 -12.756 1.00 32.46 O HETATM 1302 O HOH 17 39.498 -18.113 -5.528 1.00 32.61 O HETATM 1303 O HOH 18 17.128 -20.045 9.010 1.00 50.56 O HETATM 1304 O HOH 19 36.775 -24.374 2.695 1.00 36.52 O HETATM 1305 O HOH 20 46.360 -22.656 -11.276 1.00 49.80 O HETATM 1306 O HOH 21 47.841 -18.568 -17.117 1.00 44.67 O HETATM 1307 O HOH 22 22.916 -34.521 5.102 1.00 49.19 O HETATM 1308 O HOH 23 17.339 -22.402 7.357 1.00 51.91 O HETATM 1309 O HOH 24 19.446 -19.725 14.778 1.00 45.83 O HETATM 1310 O HOH 25 33.758 -33.708 13.031 1.00 46.55 O HETATM 1311 O HOH 26 42.026 -31.543 12.413 1.00 46.93 O HETATM 1312 O HOH 27 41.156 -22.263 -7.744 1.00 34.72 O HETATM 1313 O HOH 28 22.502 -8.966 -9.030 1.00 52.88 O HETATM 1314 O HOH 29 25.940 -5.565 -8.004 1.00 47.83 O HETATM 1315 O HOH 30 27.116 -12.958 2.591 1.00 45.43 O HETATM 1316 O HOH 31 21.658 -14.403 12.769 1.00 42.34 O HETATM 1317 O HOH 32 41.181 -26.045 -8.778 1.00 33.72 O HETATM 1318 O HOH 33 25.236 -29.801 8.455 1.00 45.75 O HETATM 1319 O HOH 34 36.133 -25.393 11.349 1.00 56.68 O HETATM 1320 O HOH 35 39.576 -13.621 -4.444 1.00 42.61 O HETATM 1321 O HOH 36 41.317 -19.475 -7.371 1.00 33.97 O HETATM 1322 O HOH 37 9.284 -28.875 -5.839 1.00 51.20 O HETATM 1323 O HOH 38 39.736 -16.197 -3.476 1.00 39.34 O HETATM 1324 O HOH 39 43.799 -22.520 -13.410 1.00 33.32 O HETATM 1325 O HOH 40 43.707 -15.651 -18.292 1.00 51.26 O HETATM 1326 O HOH 41 39.280 -29.296 14.846 1.00 65.05 O HETATM 1327 O HOH 42 37.998 -12.178 -2.211 1.00 50.12 O HETATM 1328 O HOH 43 19.640 -10.374 -4.990 1.00 59.32 O HETATM 1329 O HOH 44 36.625 -17.089 0.499 1.00 44.40 O HETATM 1330 O HOH 45 43.164 -28.247 -27.687 1.00 70.18 O HETATM 1331 O HOH 46 12.518 -14.697 -3.326 1.00 65.81 O HETATM 1332 O HOH 47 13.407 -21.592 0.172 1.00 39.17 O HETATM 1333 O HOH 48 32.196 -29.019 -9.835 1.00 56.68 O HETATM 1334 O HOH 49 24.607 -11.477 4.205 1.00 57.07 O HETATM 1335 O HOH 50 32.348 -31.606 -5.310 1.00 56.20 O HETATM 1336 O HOH 51 29.936 -19.440 9.251 1.00 67.91 O HETATM 1337 O HOH 52 20.863 -32.358 7.230 1.00 61.99 O HETATM 1338 O HOH 53 32.785 -13.356 1.341 1.00 56.75 O HETATM 1339 O HOH 54 15.617 -14.826 11.685 1.00 60.14 O HETATM 1340 O HOH 55 19.138 -11.446 10.434 1.00 51.13 O HETATM 1341 O HOH 56 17.498 -26.301 -17.925 1.00 56.32 O HETATM 1342 C4 UNN A 57 38.958 -7.300 -11.274 1.00 0.01 C HETATM 1343 C10 UNN A 57 38.014 -8.102 -11.904 1.00 0.11 C HETATM 1344 C12 UNN A 57 36.935 -8.570 -11.184 1.00 0.08 C HETATM 1345 C5 UNN A 57 36.790 -8.238 -9.861 1.00 -0.02 C HETATM 1346 C11 UNN A 57 37.733 -7.431 -9.258 1.00 0.10 C HETATM 1347 C9 UNN A 57 38.838 -6.943 -9.940 1.00 0.08 C HETATM 1348 N20 UNN A 57 39.776 -6.117 -9.269 1.00 -0.31 N HETATM 1349 C16 UNN A 57 40.959 -5.585 -9.912 1.00 0.04 C HETATM 1350 C15 UNN A 57 40.590 -4.394 -10.762 1.00 0.02 C HETATM 1351 C14 UNN A 57 41.769 -4.122 -11.644 1.00 0.04 C HETATM 1352 O24 UNN A 57 41.865 -4.458 -12.817 1.00 -0.57 O HETATM 1353 O26 UNN A 57 42.727 -3.457 -10.954 1.00 -0.57 O HETATM 1354 H3 UNN A 57 39.703 -4.622 -11.372 1.00 0.04 H HETATM 1355 H4 UNN A 57 40.382 -3.522 -10.125 1.00 0.04 H HETATM 1356 H8 UNN A 57 41.683 -5.275 -9.144 1.00 0.05 H HETATM 1357 H9 UNN A 57 41.409 -6.362 -10.548 1.00 0.05 H HETATM 1358 H13 UNN A 57 39.608 -5.885 -8.280 1.00 0.18 H HETATM 1359 N21 UNN A 57 37.468 -7.107 -7.870 1.00 -0.22 N HETATM 1360 O22 UNN A 57 38.392 -6.753 -7.117 1.00 -0.50 O HETATM 1361 O25 UNN A 57 36.271 -7.130 -7.553 1.00 -0.50 O HETATM 1362 H2 UNN A 57 35.942 -8.606 -9.294 1.00 0.07 H HETATM 1363 CL1 UNN A 57 35.680 -9.563 -11.836 1.00 -0.07 CL HETATM 1364 N19 UNN A 57 38.110 -8.456 -13.258 1.00 -0.22 N HETATM 1365 C8 UNN A 57 39.060 -8.080 -14.205 1.00 0.15 C HETATM 1366 C2 UNN A 57 39.371 -6.744 -14.422 1.00 0.05 C HETATM 1367 C1 UNN A 57 40.314 -6.380 -15.364 1.00 0.08 C HETATM 1368 C6 UNN A 57 40.916 -7.391 -16.076 1.00 0.27 C HETATM 1369 C7 UNN A 57 40.603 -8.697 -15.861 1.00 0.24 C HETATM 1370 C3 UNN A 57 39.676 -9.074 -14.930 1.00 0.07 C HETATM 1371 H7 UNN A 57 39.435 -10.118 -14.769 1.00 0.06 H HETATM 1372 N18 UNN A 57 41.362 -9.471 -16.721 1.00 -0.13 N HETATM 1373 C13 UNN A 57 42.165 -8.658 -17.490 1.00 0.48 C HETATM 1374 N17 UNN A 57 41.880 -7.366 -17.082 1.00 -0.10 N HETATM 1375 H10 UNN A 57 42.302 -6.539 -17.453 1.00 0.34 H HETATM 1376 O23 UNN A 57 42.959 -9.023 -18.345 1.00 -0.26 O HETATM 1377 H11 UNN A 57 41.332 -10.469 -16.776 1.00 0.29 H HETATM 1378 H5 UNN A 57 40.569 -5.340 -15.535 1.00 0.09 H HETATM 1379 H6 UNN A 57 38.867 -5.977 -13.845 1.00 0.11 H HETATM 1380 H12 UNN A 57 37.371 -9.085 -13.602 1.00 0.26 H HETATM 1381 H1 UNN A 57 39.811 -6.944 -11.841 1.00 0.05 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1342 1343 1347 1381 CONECT 1343 1342 1344 1364 CONECT 1344 1343 1345 1363 CONECT 1345 1344 1346 1362 CONECT 1346 1345 1347 1359 CONECT 1347 1342 1346 1348 CONECT 1348 1347 1349 1358 CONECT 1349 1348 1350 1356 1357 CONECT 1350 1349 1351 1354 1355 CONECT 1351 1350 1352 1353 CONECT 1352 1351 CONECT 1353 1351 CONECT 1354 1350 CONECT 1355 1350 CONECT 1356 1349 CONECT 1357 1349 CONECT 1358 1348 CONECT 1359 1346 1360 1361 CONECT 1360 1359 CONECT 1361 1359 CONECT 1362 1345 CONECT 1363 1344 CONECT 1364 1343 1365 1380 CONECT 1365 1364 1366 1370 CONECT 1366 1365 1367 1379 CONECT 1367 1366 1368 1378 CONECT 1368 1367 1369 1374 CONECT 1369 1368 1370 1372 CONECT 1370 1365 1369 1371 CONECT 1371 1370 CONECT 1372 1369 1373 1377 CONECT 1373 1372 1374 1376 CONECT 1374 1368 1373 1375 CONECT 1375 1374 CONECT 1376 1373 CONECT 1377 1372 CONECT 1378 1367 CONECT 1379 1366 CONECT 1380 1364 CONECT 1381 1342 MASTER 0 0 0 0 0 0 0 0 1380 1 44 11 END
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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
5x9p
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
B-cell lymphoma 6
Ligand Name
80L
EC.Number
E.C.-.-.-.-
Resolution
1.86(Å)
Affinity (Kd/Ki/IC50)
IC50=0.13uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Bioorg. Med. Chem. Vol. 25: pp. 4876-4886
Ligand Properties
Formula
C
1
6
H
1
4
ClN
5
O
5
Molecular Weight
391.766
Exact Mass
391.068
No. of atoms
41
No. of bonds
43
Polar Surface Area
155.83
LOGP Value
4.04 (
Computed with XLOGP3
)
3.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
Canonical SMILES
OC(=O)CCNc1cc(Nc2ccc3c(c2)[nH]c(=O)[nH]3)c(cc1N(=O)=O)Cl
InChI String
InChI=1S/C16H14ClN5O5/c17-9-6-14(22(26)27)13(18-4-3-15(23)24)7-11(9)19-8-1-2-10-12(5-8)21-16(25)20-10/h1-2,5-7,18-19H,3-4H2,(H,23,24)(H2,20,21,25)
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):
P41182
Entrez Gene ID
NCBI Entrez Gene ID:
604
ASD
Information of known allosteric effects of PDB entries
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