Browse entries in the PDBbind-CN Database
HEADER 2W2U_COMPLEX COMPND 2W2U_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 75 MET SER ALA GLN VAL MET LEU GLU GLU MET ALA ARG LYS SEQRES 2 A 75 TYR ALA ILE ASN ALA VAL LYS ALA ASP LYS GLU GLY ASN SEQRES 3 A 75 ALA GLU GLU ALA ILE THR ASN TYR LYS LYS ALA ILE GLU SEQRES 4 A 75 VAL LEU ALA GLN LEU VAL SER LEU TYR ARG ASP GLY SER SEQRES 5 A 75 THR ALA ALA ILE TYR GLU GLN MET ILE ASN GLU TYR LYS SEQRES 6 A 75 ARG ARG ILE GLU VAL LEU LYS GLU LEU ILE HET ARG A 130 187 ATOM 1 N MET A 1 24.083 -16.224 38.924 1.00 24.71 N ATOM 2 CA MET A 1 23.541 -14.882 39.280 1.00 24.62 C ATOM 3 C MET A 1 22.069 -14.983 39.664 1.00 23.59 C ATOM 4 O MET A 1 21.245 -15.434 38.868 1.00 24.07 O ATOM 5 CB MET A 1 23.730 -13.902 38.116 1.00 24.69 C ATOM 6 CG MET A 1 23.310 -12.468 38.423 1.00 25.30 C ATOM 7 SD MET A 1 23.651 -11.331 37.063 1.00 26.31 S ATOM 8 CE MET A 1 25.421 -11.086 37.250 1.00 27.18 C ATOM 9 HA MET A 1 24.093 -14.504 40.141 1.00 0.00 H ATOM 10 HB2 MET A 1 24.785 -13.897 37.842 1.00 0.00 H ATOM 11 HB3 MET A 1 23.139 -14.257 37.272 1.00 0.00 H ATOM 12 HG2 MET A 1 23.852 -12.128 39.306 1.00 0.00 H ATOM 13 HG3 MET A 1 22.240 -12.455 38.628 1.00 0.00 H ATOM 14 HE1 MET A 1 25.626 -10.661 38.233 1.00 0.00 H ATOM 15 HE2 MET A 1 25.931 -12.044 37.153 1.00 0.00 H ATOM 16 HE3 MET A 1 25.776 -10.404 36.477 1.00 0.00 H ATOM 17 HN3 MET A 1 23.550 -16.609 38.119 1.00 0.00 H ATOM 18 HN2 MET A 1 23.990 -16.862 39.740 1.00 0.00 H ATOM 19 HN1 MET A 1 25.086 -16.134 38.666 1.00 0.00 H ATOM 20 N SER A 2 21.754 -14.560 40.888 1.00 22.33 N ATOM 21 CA SER A 2 20.381 -14.539 41.404 1.00 20.78 C ATOM 22 C SER A 2 19.457 -13.637 40.576 1.00 19.96 C ATOM 23 O SER A 2 19.924 -12.831 39.766 1.00 19.52 O ATOM 24 CB SER A 2 20.379 -14.061 42.856 1.00 20.81 C ATOM 25 OG SER A 2 20.605 -12.664 42.924 1.00 19.54 O ATOM 26 HA SER A 2 19.999 -15.558 41.337 1.00 0.00 H ATOM 27 HB2 SER A 2 21.166 -14.578 43.404 1.00 0.00 H ATOM 28 HB3 SER A 2 19.413 -14.290 43.307 1.00 0.00 H ATOM 29 HG SER A 2 20.600 -12.376 43.871 1.00 0.00 H ATOM 30 H SER A 2 22.520 -14.228 41.508 1.00 0.00 H ATOM 31 N ALA A 3 18.151 -13.783 40.794 1.00 18.78 N ATOM 32 CA ALA A 3 17.141 -12.964 40.127 1.00 18.00 C ATOM 33 C ALA A 3 17.211 -11.491 40.542 1.00 17.38 C ATOM 34 O ALA A 3 16.951 -10.604 39.726 1.00 17.13 O ATOM 35 CB ALA A 3 15.740 -13.528 40.384 1.00 17.99 C ATOM 36 HA ALA A 3 17.353 -13.003 39.059 1.00 0.00 H ATOM 37 HB1 ALA A 3 15.683 -14.546 39.999 1.00 0.00 H ATOM 38 HB2 ALA A 3 15.543 -13.532 41.456 1.00 0.00 H ATOM 39 HB3 ALA A 3 15.001 -12.905 39.880 1.00 0.00 H ATOM 40 H ALA A 3 17.837 -14.511 41.467 1.00 0.00 H ATOM 41 N GLN A 4 17.561 -11.241 41.806 1.00 16.56 N ATOM 42 CA GLN A 4 17.660 -9.880 42.331 1.00 15.91 C ATOM 43 C GLN A 4 18.781 -9.116 41.647 1.00 15.75 C ATOM 44 O GLN A 4 18.556 -8.042 41.089 1.00 15.11 O ATOM 45 CB GLN A 4 17.875 -9.888 43.847 1.00 15.99 C ATOM 46 CG GLN A 4 17.712 -8.515 44.489 1.00 15.30 C ATOM 47 CD GLN A 4 17.565 -8.565 45.999 1.00 14.59 C ATOM 48 OE1 GLN A 4 17.025 -7.639 46.610 1.00 14.88 O ATOM 49 NE2 GLN A 4 18.042 -9.643 46.610 1.00 14.23 N ATOM 50 HA GLN A 4 16.717 -9.376 42.121 1.00 0.00 H ATOM 51 HB2 GLN A 4 17.150 -10.568 44.295 1.00 0.00 H ATOM 52 HB3 GLN A 4 18.883 -10.248 44.051 1.00 0.00 H ATOM 53 HG2 GLN A 4 18.589 -7.915 44.247 1.00 0.00 H ATOM 54 HG3 GLN A 4 16.823 -8.042 44.071 1.00 0.00 H ATOM 55 HE22 GLN A 4 18.490 -10.400 46.055 1.00 0.00 H ATOM 56 HE21 GLN A 4 17.968 -9.730 47.644 1.00 0.00 H ATOM 57 H GLN A 4 17.770 -12.040 42.438 1.00 0.00 H ATOM 58 N VAL A 5 19.983 -9.694 41.690 1.00 15.77 N ATOM 59 CA VAL A 5 21.185 -9.095 41.117 1.00 15.72 C ATOM 60 C VAL A 5 21.056 -8.910 39.596 1.00 15.80 C ATOM 61 O VAL A 5 21.474 -7.892 39.051 1.00 15.67 O ATOM 62 CB VAL A 5 22.456 -9.925 41.479 1.00 15.62 C ATOM 63 CG1 VAL A 5 23.678 -9.428 40.724 1.00 15.77 C ATOM 64 CG2 VAL A 5 22.720 -9.874 42.983 1.00 15.53 C ATOM 65 HA VAL A 5 21.297 -8.104 41.557 1.00 0.00 H ATOM 66 HB VAL A 5 22.268 -10.957 41.183 1.00 0.00 H ATOM 67 HG11 VAL A 5 23.501 -9.515 39.652 1.00 0.00 H ATOM 68 HG12 VAL A 5 23.862 -8.384 40.980 1.00 0.00 H ATOM 69 HG13 VAL A 5 24.544 -10.029 41.001 1.00 0.00 H ATOM 70 HG21 VAL A 5 22.874 -8.839 43.289 1.00 0.00 H ATOM 71 HG22 VAL A 5 21.863 -10.288 43.515 1.00 0.00 H ATOM 72 HG23 VAL A 5 23.610 -10.459 43.214 1.00 0.00 H ATOM 73 H VAL A 5 20.068 -10.620 42.156 1.00 0.00 H ATOM 74 N MET A 6 20.462 -9.895 38.931 1.00 15.92 N ATOM 75 CA MET A 6 20.246 -9.845 37.490 1.00 16.65 C ATOM 76 C MET A 6 19.314 -8.686 37.094 1.00 15.21 C ATOM 77 O MET A 6 19.604 -7.938 36.149 1.00 14.62 O ATOM 78 CB MET A 6 19.693 -11.186 37.012 1.00 16.27 C ATOM 79 CG MET A 6 19.771 -11.398 35.520 1.00 18.15 C ATOM 80 SD MET A 6 18.309 -12.260 34.925 1.00 21.51 S ATOM 81 CE MET A 6 17.106 -10.928 35.071 1.00 18.37 C ATOM 82 HA MET A 6 21.203 -9.659 37.002 1.00 0.00 H ATOM 83 HB2 MET A 6 20.258 -11.981 37.499 1.00 0.00 H ATOM 84 HB3 MET A 6 18.647 -11.249 37.311 1.00 0.00 H ATOM 85 HG2 MET A 6 20.656 -11.991 35.288 1.00 0.00 H ATOM 86 HG3 MET A 6 19.843 -10.430 35.024 1.00 0.00 H ATOM 87 HE1 MET A 6 17.046 -10.607 36.111 1.00 0.00 H ATOM 88 HE2 MET A 6 17.417 -10.089 34.448 1.00 0.00 H ATOM 89 HE3 MET A 6 16.130 -11.284 34.742 1.00 0.00 H ATOM 90 H MET A 6 20.139 -10.732 39.457 1.00 0.00 H ATOM 91 N LEU A 7 18.212 -8.533 37.826 1.00 14.07 N ATOM 92 CA LEU A 7 17.291 -7.417 37.592 1.00 13.64 C ATOM 93 C LEU A 7 17.905 -6.070 37.976 1.00 13.08 C ATOM 94 O LEU A 7 17.718 -5.078 37.276 1.00 12.84 O ATOM 95 CB LEU A 7 15.955 -7.632 38.316 1.00 13.44 C ATOM 96 CG LEU A 7 15.013 -8.714 37.763 1.00 13.57 C ATOM 97 CD1 LEU A 7 13.949 -9.047 38.785 1.00 12.77 C ATOM 98 CD2 LEU A 7 14.368 -8.305 36.426 1.00 14.40 C ATOM 99 HA LEU A 7 17.097 -7.392 36.520 1.00 0.00 H ATOM 100 HB2 LEU A 7 16.182 -7.894 39.349 1.00 0.00 H ATOM 101 HB3 LEU A 7 15.415 -6.686 38.292 1.00 0.00 H ATOM 102 HG LEU A 7 15.616 -9.600 37.565 1.00 0.00 H ATOM 103 HD21 LEU A 7 13.787 -7.394 36.568 1.00 0.00 H ATOM 104 HD22 LEU A 7 15.149 -8.128 35.686 1.00 0.00 H ATOM 105 HD23 LEU A 7 13.713 -9.105 36.081 1.00 0.00 H ATOM 106 HD11 LEU A 7 14.423 -9.415 39.695 1.00 0.00 H ATOM 107 HD12 LEU A 7 13.372 -8.151 39.012 1.00 0.00 H ATOM 108 HD13 LEU A 7 13.288 -9.814 38.382 1.00 0.00 H ATOM 109 H LEU A 7 18.001 -9.219 38.579 1.00 0.00 H ATOM 110 N GLU A 8 18.644 -6.039 39.081 1.00 12.94 N ATOM 111 CA GLU A 8 19.352 -4.824 39.488 1.00 13.04 C ATOM 112 C GLU A 8 20.291 -4.301 38.395 1.00 13.34 C ATOM 113 O GLU A 8 20.310 -3.103 38.116 1.00 13.09 O ATOM 114 CB GLU A 8 20.090 -5.032 40.817 1.00 12.81 C ATOM 115 CG GLU A 8 19.140 -5.036 42.013 1.00 12.93 C ATOM 116 CD GLU A 8 19.777 -5.486 43.316 1.00 12.58 C ATOM 117 OE1 GLU A 8 20.930 -5.967 43.310 1.00 11.69 O ATOM 118 OE2 GLU A 8 19.110 -5.346 44.363 1.00 11.50 O ATOM 119 HA GLU A 8 18.598 -4.052 39.642 1.00 0.00 H ATOM 120 HB2 GLU A 8 20.614 -5.987 40.782 1.00 0.00 H ATOM 121 HB3 GLU A 8 20.813 -4.227 40.946 1.00 0.00 H ATOM 122 HG2 GLU A 8 18.760 -4.024 42.150 1.00 0.00 H ATOM 123 HG3 GLU A 8 18.311 -5.707 41.788 1.00 0.00 H ATOM 124 H GLU A 8 18.721 -6.894 39.667 1.00 0.00 H ATOM 125 N GLU A 9 21.050 -5.204 37.778 1.00 14.02 N ATOM 126 CA GLU A 9 21.938 -4.856 36.662 1.00 15.13 C ATOM 127 C GLU A 9 21.168 -4.352 35.427 1.00 14.92 C ATOM 128 O GLU A 9 21.599 -3.398 34.761 1.00 14.71 O ATOM 129 CB GLU A 9 22.849 -6.049 36.316 1.00 15.37 C ATOM 130 CG GLU A 9 23.407 -6.082 34.878 1.00 18.70 C ATOM 131 CD GLU A 9 24.330 -4.912 34.516 1.00 23.05 C ATOM 132 OE1 GLU A 9 24.933 -4.282 35.422 1.00 24.78 O ATOM 133 OE2 GLU A 9 24.448 -4.628 33.302 1.00 24.46 O ATOM 134 HA GLU A 9 22.563 -4.024 36.986 1.00 0.00 H ATOM 135 HB2 GLU A 9 23.696 -6.032 37.002 1.00 0.00 H ATOM 136 HB3 GLU A 9 22.275 -6.963 36.472 1.00 0.00 H ATOM 137 HG2 GLU A 9 23.969 -7.008 34.754 1.00 0.00 H ATOM 138 HG3 GLU A 9 22.564 -6.075 34.187 1.00 0.00 H ATOM 139 H GLU A 9 21.012 -6.193 38.098 1.00 0.00 H ATOM 140 N MET A 10 20.041 -5.002 35.136 1.00 14.81 N ATOM 141 CA MET A 10 19.138 -4.598 34.055 1.00 15.45 C ATOM 142 C MET A 10 18.628 -3.174 34.261 1.00 14.83 C ATOM 143 O MET A 10 18.679 -2.358 33.348 1.00 15.17 O ATOM 144 CB MET A 10 17.959 -5.573 33.959 1.00 15.22 C ATOM 145 CG MET A 10 17.058 -5.398 32.731 1.00 15.29 C ATOM 146 SD MET A 10 15.670 -6.570 32.726 1.00 17.75 S ATOM 147 CE MET A 10 16.531 -8.127 32.862 1.00 15.73 C ATOM 148 HA MET A 10 19.699 -4.622 33.121 1.00 0.00 H ATOM 149 HB2 MET A 10 18.361 -6.586 33.940 1.00 0.00 H ATOM 150 HB3 MET A 10 17.343 -5.445 34.849 1.00 0.00 H ATOM 151 HG2 MET A 10 17.654 -5.556 31.832 1.00 0.00 H ATOM 152 HG3 MET A 10 16.661 -4.383 32.728 1.00 0.00 H ATOM 153 HE1 MET A 10 17.202 -8.245 32.011 1.00 0.00 H ATOM 154 HE2 MET A 10 17.108 -8.142 33.786 1.00 0.00 H ATOM 155 HE3 MET A 10 15.807 -8.942 32.871 1.00 0.00 H ATOM 156 H MET A 10 19.791 -5.836 35.704 1.00 0.00 H ATOM 157 N ALA A 11 18.132 -2.891 35.463 1.00 14.83 N ATOM 158 CA ALA A 11 17.702 -1.547 35.851 1.00 14.81 C ATOM 159 C ALA A 11 18.836 -0.529 35.723 1.00 14.82 C ATOM 160 O ALA A 11 18.628 0.569 35.203 1.00 14.51 O ATOM 161 CB ALA A 11 17.149 -1.558 37.277 1.00 14.79 C ATOM 162 HA ALA A 11 16.911 -1.242 35.166 1.00 0.00 H ATOM 163 HB1 ALA A 11 16.296 -2.234 37.329 1.00 0.00 H ATOM 164 HB2 ALA A 11 17.925 -1.896 37.964 1.00 0.00 H ATOM 165 HB3 ALA A 11 16.833 -0.551 37.551 1.00 0.00 H ATOM 166 H ALA A 11 18.046 -3.660 36.158 1.00 0.00 H ATOM 167 N ARG A 12 20.030 -0.912 36.188 1.00 15.07 N ATOM 168 CA ARG A 12 21.235 -0.081 36.082 1.00 15.73 C ATOM 169 C ARG A 12 21.576 0.307 34.638 1.00 15.39 C ATOM 170 O ARG A 12 21.813 1.477 34.358 1.00 15.27 O ATOM 171 CB ARG A 12 22.431 -0.775 36.743 1.00 15.42 C ATOM 172 CG ARG A 12 23.694 0.073 36.789 1.00 16.50 C ATOM 173 CD ARG A 12 24.853 -0.630 37.506 1.00 17.08 C ATOM 174 NE ARG A 12 24.529 -0.939 38.900 1.00 20.05 N ATOM 175 CZ ARG A 12 24.306 -2.163 39.373 1.00 21.45 C ATOM 176 NH1 ARG A 12 24.385 -3.226 38.577 1.00 22.87 N ATOM 177 NH2 ARG A 12 24.012 -2.326 40.656 1.00 23.28 N ATOM 178 HA ARG A 12 21.015 0.846 36.612 1.00 0.00 H ATOM 179 HB2 ARG A 12 22.155 -1.034 37.765 1.00 0.00 H ATOM 180 HB3 ARG A 12 22.650 -1.686 36.185 1.00 0.00 H ATOM 181 HG2 ARG A 12 24.001 0.298 35.768 1.00 0.00 H ATOM 182 HG3 ARG A 12 23.472 1.002 37.313 1.00 0.00 H ATOM 183 HD2 ARG A 12 25.727 0.020 37.483 1.00 0.00 H ATOM 184 HD3 ARG A 12 25.079 -1.559 36.983 1.00 0.00 H ATOM 185 HE ARG A 12 24.469 -0.145 39.569 1.00 0.00 H ATOM 186 HH12 ARG A 12 24.208 -4.177 38.960 1.00 0.00 H ATOM 187 HH11 ARG A 12 24.623 -3.106 37.572 1.00 0.00 H ATOM 188 HH22 ARG A 12 23.837 -3.280 41.032 1.00 0.00 H ATOM 189 HH21 ARG A 12 23.957 -1.500 41.286 1.00 0.00 H ATOM 190 H ARG A 12 20.108 -1.842 36.646 1.00 0.00 H ATOM 191 N LYS A 13 21.605 -0.680 33.743 1.00 15.52 N ATOM 192 CA LYS A 13 21.838 -0.463 32.311 1.00 16.23 C ATOM 193 C LYS A 13 20.846 0.544 31.722 1.00 15.59 C ATOM 194 O LYS A 13 21.244 1.459 31.005 1.00 15.67 O ATOM 195 CB LYS A 13 21.788 -1.799 31.546 1.00 16.25 C ATOM 196 CG LYS A 13 21.504 -1.682 30.033 1.00 17.88 C ATOM 197 CD LYS A 13 21.547 -3.026 29.284 1.00 18.34 C ATOM 198 CE LYS A 13 20.569 -4.079 29.837 1.00 21.32 C ATOM 199 NZ LYS A 13 21.261 -5.092 30.713 1.00 22.15 N ATOM 200 HA LYS A 13 22.835 -0.038 32.198 1.00 0.00 H ATOM 201 HB2 LYS A 13 22.750 -2.295 31.671 1.00 0.00 H ATOM 202 HB3 LYS A 13 21.004 -2.412 31.990 1.00 0.00 H ATOM 203 HG2 LYS A 13 20.513 -1.248 29.902 1.00 0.00 H ATOM 204 HG3 LYS A 13 22.250 -1.020 29.594 1.00 0.00 H ATOM 205 HD2 LYS A 13 21.301 -2.844 28.238 1.00 0.00 H ATOM 206 HD3 LYS A 13 22.558 -3.426 29.354 1.00 0.00 H ATOM 207 HE2 LYS A 13 20.102 -4.598 29.000 1.00 0.00 H ATOM 208 HE3 LYS A 13 19.802 -3.573 30.423 1.00 0.00 H ATOM 209 HZ1 LYS A 13 21.991 -5.586 30.160 1.00 0.00 H ATOM 210 HZ2 LYS A 13 21.704 -4.606 31.519 1.00 0.00 H ATOM 211 HZ3 LYS A 13 20.564 -5.780 31.062 1.00 0.00 H ATOM 212 H LYS A 13 21.455 -1.653 34.077 1.00 0.00 H ATOM 213 N TYR A 14 19.564 0.382 32.040 1.00 15.29 N ATOM 214 CA TYR A 14 18.543 1.333 31.598 1.00 15.00 C ATOM 215 C TYR A 14 18.747 2.734 32.174 1.00 14.87 C ATOM 216 O TYR A 14 18.655 3.726 31.443 1.00 14.57 O ATOM 217 CB TYR A 14 17.132 0.822 31.914 1.00 14.98 C ATOM 218 CG TYR A 14 16.681 -0.328 31.044 1.00 14.66 C ATOM 219 CD1 TYR A 14 16.737 -0.236 29.660 1.00 14.47 C ATOM 220 CD2 TYR A 14 16.181 -1.502 31.607 1.00 14.41 C ATOM 221 CE1 TYR A 14 16.314 -1.282 28.848 1.00 15.29 C ATOM 222 CE2 TYR A 14 15.759 -2.561 30.802 1.00 14.99 C ATOM 223 CZ TYR A 14 15.827 -2.439 29.423 1.00 15.35 C ATOM 224 OH TYR A 14 15.412 -3.470 28.604 1.00 16.42 O ATOM 225 HA TYR A 14 18.652 1.414 30.516 1.00 0.00 H ATOM 226 HB3 TYR A 14 16.432 1.647 31.781 1.00 0.00 H ATOM 227 HB2 TYR A 14 17.112 0.493 32.953 1.00 0.00 H ATOM 228 HD2 TYR A 14 16.119 -1.594 32.691 1.00 0.00 H ATOM 229 HE2 TYR A 14 15.379 -3.477 31.254 1.00 0.00 H ATOM 230 HE1 TYR A 14 16.366 -1.189 27.763 1.00 0.00 H ATOM 231 HD1 TYR A 14 17.120 0.675 29.201 1.00 0.00 H ATOM 232 HH TYR A 14 15.533 -3.207 27.657 1.00 0.00 H ATOM 233 H TYR A 14 19.282 -0.438 32.615 1.00 0.00 H ATOM 234 N ALA A 15 19.032 2.803 33.475 1.00 14.62 N ATOM 235 CA ALA A 15 19.264 4.074 34.165 1.00 14.80 C ATOM 236 C ALA A 15 20.459 4.834 33.585 1.00 15.10 C ATOM 237 O ALA A 15 20.380 6.041 33.365 1.00 15.26 O ATOM 238 CB ALA A 15 19.445 3.847 35.662 1.00 14.54 C ATOM 239 HA ALA A 15 18.381 4.694 34.008 1.00 0.00 H ATOM 240 HB1 ALA A 15 18.547 3.382 36.069 1.00 0.00 H ATOM 241 HB2 ALA A 15 20.301 3.193 35.828 1.00 0.00 H ATOM 242 HB3 ALA A 15 19.616 4.804 36.155 1.00 0.00 H ATOM 243 H ALA A 15 19.092 1.920 34.021 1.00 0.00 H ATOM 244 N ILE A 16 21.553 4.119 33.333 1.00 15.42 N ATOM 245 CA ILE A 16 22.744 4.689 32.699 1.00 15.82 C ATOM 246 C ILE A 16 22.434 5.182 31.276 1.00 15.76 C ATOM 247 O ILE A 16 22.877 6.264 30.885 1.00 16.04 O ATOM 248 CB ILE A 16 23.935 3.683 32.696 1.00 15.63 C ATOM 249 CG1 ILE A 16 24.418 3.413 34.128 1.00 15.66 C ATOM 250 CG2 ILE A 16 25.097 4.193 31.839 1.00 16.06 C ATOM 251 CD1 ILE A 16 25.454 2.285 34.230 1.00 16.35 C ATOM 252 HA ILE A 16 23.046 5.550 33.295 1.00 0.00 H ATOM 253 HB ILE A 16 23.575 2.751 32.260 1.00 0.00 H ATOM 254 HG12 ILE A 16 24.865 4.327 34.518 1.00 0.00 H ATOM 255 HG13 ILE A 16 23.555 3.144 34.737 1.00 0.00 H ATOM 256 HD11 ILE A 16 25.019 1.359 33.855 1.00 0.00 H ATOM 257 HD12 ILE A 16 26.330 2.543 33.636 1.00 0.00 H ATOM 258 HD13 ILE A 16 25.746 2.155 35.272 1.00 0.00 H ATOM 259 HG21 ILE A 16 24.757 4.330 30.812 1.00 0.00 H ATOM 260 HG22 ILE A 16 25.449 5.145 32.236 1.00 0.00 H ATOM 261 HG23 ILE A 16 25.909 3.466 31.860 1.00 0.00 H ATOM 262 H ILE A 16 21.563 3.113 33.597 1.00 0.00 H ATOM 263 N ASN A 17 21.676 4.395 30.514 1.00 15.92 N ATOM 264 CA ASN A 17 21.238 4.806 29.176 1.00 16.21 C ATOM 265 C ASN A 17 20.399 6.085 29.201 1.00 15.99 C ATOM 266 O ASN A 17 20.550 6.947 28.337 1.00 15.86 O ATOM 267 CB ASN A 17 20.445 3.691 28.484 1.00 16.65 C ATOM 268 CG ASN A 17 21.316 2.533 28.024 1.00 17.86 C ATOM 269 OD1 ASN A 17 22.546 2.609 28.033 1.00 19.06 O ATOM 270 ND2 ASN A 17 20.668 1.448 27.609 1.00 18.66 N ATOM 271 HA ASN A 17 22.147 5.009 28.610 1.00 0.00 H ATOM 272 HB2 ASN A 17 19.701 3.309 29.183 1.00 0.00 H ATOM 273 HB3 ASN A 17 19.941 4.113 27.614 1.00 0.00 H ATOM 274 HD22 ASN A 17 19.628 1.428 27.619 1.00 0.00 H ATOM 275 HD21 ASN A 17 21.201 0.620 27.275 1.00 0.00 H ATOM 276 H ASN A 17 21.387 3.464 30.878 1.00 0.00 H ATOM 277 N ALA A 18 19.525 6.194 30.199 1.00 15.90 N ATOM 278 CA ALA A 18 18.633 7.342 30.355 1.00 16.04 C ATOM 279 C ALA A 18 19.367 8.634 30.726 1.00 16.46 C ATOM 280 O ALA A 18 19.089 9.693 30.164 1.00 16.01 O ATOM 281 CB ALA A 18 17.559 7.030 31.379 1.00 15.77 C ATOM 282 HA ALA A 18 18.176 7.519 29.382 1.00 0.00 H ATOM 283 HB1 ALA A 18 16.980 6.169 31.046 1.00 0.00 H ATOM 284 HB2 ALA A 18 18.027 6.806 32.338 1.00 0.00 H ATOM 285 HB3 ALA A 18 16.900 7.892 31.487 1.00 0.00 H ATOM 286 H ALA A 18 19.474 5.427 30.900 1.00 0.00 H ATOM 287 N VAL A 19 20.294 8.538 31.677 1.00 17.03 N ATOM 288 CA VAL A 19 21.058 9.695 32.134 1.00 17.92 C ATOM 289 C VAL A 19 21.987 10.192 31.015 1.00 18.39 C ATOM 290 O VAL A 19 22.159 11.403 30.834 1.00 18.79 O ATOM 291 CB VAL A 19 21.833 9.386 33.454 1.00 17.85 C ATOM 292 CG1 VAL A 19 22.653 10.575 33.901 1.00 18.21 C ATOM 293 CG2 VAL A 19 20.864 8.998 34.562 1.00 17.98 C ATOM 294 HA VAL A 19 20.362 10.500 32.370 1.00 0.00 H ATOM 295 HB VAL A 19 22.507 8.554 33.251 1.00 0.00 H ATOM 296 HG11 VAL A 19 23.376 10.829 33.125 1.00 0.00 H ATOM 297 HG12 VAL A 19 21.993 11.425 34.076 1.00 0.00 H ATOM 298 HG13 VAL A 19 23.180 10.326 34.822 1.00 0.00 H ATOM 299 HG21 VAL A 19 20.171 9.820 34.741 1.00 0.00 H ATOM 300 HG22 VAL A 19 20.307 8.111 34.261 1.00 0.00 H ATOM 301 HG23 VAL A 19 21.423 8.786 35.474 1.00 0.00 H ATOM 302 H VAL A 19 20.480 7.610 32.108 1.00 0.00 H ATOM 303 N LYS A 20 22.553 9.253 30.257 1.00 18.70 N ATOM 304 CA LYS A 20 23.392 9.575 29.103 1.00 19.17 C ATOM 305 C LYS A 20 22.589 10.333 28.048 1.00 19.09 C ATOM 306 O LYS A 20 22.973 11.437 27.649 1.00 18.84 O ATOM 307 CB LYS A 20 24.000 8.299 28.503 1.00 19.16 C ATOM 308 CG LYS A 20 25.006 8.528 27.368 1.00 19.63 C ATOM 309 CD LYS A 20 25.402 7.204 26.716 1.00 19.96 C ATOM 310 CE LYS A 20 26.268 7.407 25.477 1.00 22.69 C ATOM 311 NZ LYS A 20 27.668 7.792 25.815 1.00 24.28 N ATOM 312 HA LYS A 20 24.206 10.217 29.441 1.00 0.00 H ATOM 313 HB2 LYS A 20 24.509 7.759 29.302 1.00 0.00 H ATOM 314 HB3 LYS A 20 23.186 7.687 28.114 1.00 0.00 H ATOM 315 HG2 LYS A 20 24.555 9.176 26.616 1.00 0.00 H ATOM 316 HG3 LYS A 20 25.897 9.008 27.772 1.00 0.00 H ATOM 317 HD2 LYS A 20 25.959 6.609 27.440 1.00 0.00 H ATOM 318 HD3 LYS A 20 24.497 6.670 26.428 1.00 0.00 H ATOM 319 HE2 LYS A 20 25.826 8.195 24.867 1.00 0.00 H ATOM 320 HE3 LYS A 20 26.289 6.477 24.908 1.00 0.00 H ATOM 321 HZ1 LYS A 20 27.661 8.683 26.351 1.00 0.00 H ATOM 322 HZ2 LYS A 20 28.103 7.043 26.391 1.00 0.00 H ATOM 323 HZ3 LYS A 20 28.213 7.917 24.938 1.00 0.00 H ATOM 324 H LYS A 20 22.392 8.254 30.495 1.00 0.00 H ATOM 325 N ALA A 21 21.471 9.741 27.617 1.00 19.09 N ATOM 326 CA ALA A 21 20.575 10.359 26.637 1.00 19.26 C ATOM 327 C ALA A 21 20.051 11.711 27.127 1.00 19.36 C ATOM 328 O ALA A 21 19.947 12.662 26.354 1.00 19.22 O ATOM 329 CB ALA A 21 19.419 9.421 26.300 1.00 19.07 C ATOM 330 HA ALA A 21 21.151 10.540 25.730 1.00 0.00 H ATOM 331 HB1 ALA A 21 19.814 8.495 25.883 1.00 0.00 H ATOM 332 HB2 ALA A 21 18.855 9.202 27.206 1.00 0.00 H ATOM 333 HB3 ALA A 21 18.765 9.899 25.570 1.00 0.00 H ATOM 334 H ALA A 21 21.227 8.803 27.993 1.00 0.00 H ATOM 335 N ASP A 22 19.744 11.781 28.420 1.00 19.83 N ATOM 336 CA ASP A 22 19.300 13.004 29.081 1.00 20.33 C ATOM 337 C ASP A 22 20.329 14.131 28.916 1.00 20.95 C ATOM 338 O ASP A 22 19.976 15.245 28.518 1.00 21.11 O ATOM 339 CB ASP A 22 19.042 12.717 30.569 1.00 20.09 C ATOM 340 CG ASP A 22 18.177 13.766 31.244 1.00 19.64 C ATOM 341 OD1 ASP A 22 18.062 14.908 30.738 1.00 19.57 O ATOM 342 OD2 ASP A 22 17.613 13.442 32.310 1.00 18.46 O ATOM 343 HA ASP A 22 18.374 13.338 28.613 1.00 0.00 H ATOM 344 HB2 ASP A 22 18.544 11.751 30.654 1.00 0.00 H ATOM 345 HB3 ASP A 22 20.001 12.676 31.085 1.00 0.00 H ATOM 346 H ASP A 22 19.825 10.916 28.991 1.00 0.00 H ATOM 347 N LYS A 23 21.593 13.831 29.212 1.00 21.57 N ATOM 348 CA LYS A 23 22.676 14.816 29.123 1.00 22.27 C ATOM 349 C LYS A 23 23.024 15.208 27.682 1.00 22.30 C ATOM 350 O LYS A 23 23.570 16.287 27.440 1.00 22.53 O ATOM 351 CB LYS A 23 23.919 14.330 29.876 1.00 22.17 C ATOM 352 CG LYS A 23 23.727 14.260 31.398 1.00 22.92 C ATOM 353 CD LYS A 23 25.016 13.874 32.115 1.00 23.39 C ATOM 354 CE LYS A 23 24.773 13.512 33.578 1.00 24.91 C ATOM 355 NZ LYS A 23 24.341 14.663 34.418 1.00 25.88 N ATOM 356 HA LYS A 23 22.306 15.722 29.602 1.00 0.00 H ATOM 357 HB2 LYS A 23 24.174 13.334 29.514 1.00 0.00 H ATOM 358 HB3 LYS A 23 24.741 15.014 29.663 1.00 0.00 H ATOM 359 HG2 LYS A 23 23.402 15.236 31.758 1.00 0.00 H ATOM 360 HG3 LYS A 23 22.962 13.517 31.623 1.00 0.00 H ATOM 361 HD2 LYS A 23 25.457 13.015 31.609 1.00 0.00 H ATOM 362 HD3 LYS A 23 25.708 14.715 32.071 1.00 0.00 H ATOM 363 HE2 LYS A 23 25.699 13.112 33.992 1.00 0.00 H ATOM 364 HE3 LYS A 23 23.998 12.746 33.619 1.00 0.00 H ATOM 365 HZ1 LYS A 23 25.075 15.399 34.399 1.00 0.00 H ATOM 366 HZ2 LYS A 23 23.451 15.050 34.043 1.00 0.00 H ATOM 367 HZ3 LYS A 23 24.196 14.341 35.396 1.00 0.00 H ATOM 368 H LYS A 23 21.820 12.863 29.517 1.00 0.00 H ATOM 369 N GLU A 24 22.700 14.332 26.736 1.00 22.35 N ATOM 370 CA GLU A 24 22.844 14.618 25.309 1.00 22.38 C ATOM 371 C GLU A 24 21.645 15.383 24.721 1.00 22.07 C ATOM 372 O GLU A 24 21.641 15.727 23.535 1.00 22.23 O ATOM 373 CB GLU A 24 23.093 13.318 24.539 1.00 22.64 C ATOM 374 CG GLU A 24 24.492 12.757 24.762 1.00 24.16 C ATOM 375 CD GLU A 24 24.645 11.312 24.323 1.00 26.22 C ATOM 376 OE1 GLU A 24 23.811 10.823 23.528 1.00 25.96 O ATOM 377 OE2 GLU A 24 25.616 10.669 24.778 1.00 27.71 O ATOM 378 HA GLU A 24 23.705 15.277 25.200 1.00 0.00 H ATOM 379 HB2 GLU A 24 22.364 12.576 24.864 1.00 0.00 H ATOM 380 HB3 GLU A 24 22.961 13.513 23.475 1.00 0.00 H ATOM 381 HG2 GLU A 24 25.201 13.365 24.200 1.00 0.00 H ATOM 382 HG3 GLU A 24 24.724 12.821 25.825 1.00 0.00 H ATOM 383 H GLU A 24 22.328 13.404 27.023 1.00 0.00 H ATOM 384 N GLY A 25 20.638 15.647 25.551 1.00 21.64 N ATOM 385 CA GLY A 25 19.474 16.441 25.153 1.00 21.19 C ATOM 386 C GLY A 25 18.474 15.703 24.277 1.00 20.98 C ATOM 387 O GLY A 25 17.783 16.320 23.458 1.00 21.24 O ATOM 388 HA3 GLY A 25 19.829 17.313 24.604 1.00 0.00 H ATOM 389 HA2 GLY A 25 18.959 16.767 26.057 1.00 0.00 H ATOM 390 H GLY A 25 20.680 15.274 26.521 1.00 0.00 H ATOM 391 N ASN A 26 18.420 14.381 24.431 1.00 20.24 N ATOM 392 CA ASN A 26 17.445 13.543 23.740 1.00 19.89 C ATOM 393 C ASN A 26 16.349 13.126 24.723 1.00 19.23 C ATOM 394 O ASN A 26 16.404 12.037 25.308 1.00 19.04 O ATOM 395 CB ASN A 26 18.132 12.305 23.148 1.00 20.11 C ATOM 396 CG ASN A 26 17.301 11.620 22.060 1.00 21.46 C ATOM 397 OD1 ASN A 26 17.855 11.148 21.062 1.00 23.43 O ATOM 398 ND2 ASN A 26 15.978 11.552 22.247 1.00 20.51 N ATOM 399 HA ASN A 26 16.998 14.109 22.923 1.00 0.00 H ATOM 400 HB2 ASN A 26 19.085 12.610 22.716 1.00 0.00 H ATOM 401 HB3 ASN A 26 18.310 11.590 23.951 1.00 0.00 H ATOM 402 HD22 ASN A 26 15.552 11.963 23.102 1.00 0.00 H ATOM 403 HD21 ASN A 26 15.376 11.088 21.537 1.00 0.00 H ATOM 404 H ASN A 26 19.102 13.926 25.071 1.00 0.00 H ATOM 405 N ALA A 27 15.362 14.003 24.898 1.00 18.27 N ATOM 406 CA ALA A 27 14.301 13.816 25.890 1.00 17.59 C ATOM 407 C ALA A 27 13.564 12.487 25.768 1.00 17.24 C ATOM 408 O ALA A 27 13.350 11.806 26.776 1.00 17.13 O ATOM 409 CB ALA A 27 13.319 14.978 25.854 1.00 17.35 C ATOM 410 HA ALA A 27 14.802 13.792 26.858 1.00 0.00 H ATOM 411 HB1 ALA A 27 13.848 15.906 26.074 1.00 0.00 H ATOM 412 HB2 ALA A 27 12.869 15.041 24.863 1.00 0.00 H ATOM 413 HB3 ALA A 27 12.540 14.817 26.599 1.00 0.00 H ATOM 414 H ALA A 27 15.344 14.857 24.305 1.00 0.00 H ATOM 415 N GLU A 28 13.196 12.116 24.541 1.00 16.81 N ATOM 416 CA GLU A 28 12.436 10.887 24.289 1.00 16.73 C ATOM 417 C GLU A 28 13.192 9.607 24.665 1.00 16.54 C ATOM 418 O GLU A 28 12.639 8.739 25.348 1.00 15.97 O ATOM 419 CB GLU A 28 11.970 10.815 22.827 1.00 16.83 C ATOM 420 CG GLU A 28 11.270 9.508 22.456 1.00 16.76 C ATOM 421 CD GLU A 28 10.092 9.174 23.369 1.00 16.80 C ATOM 422 OE1 GLU A 28 9.326 10.086 23.743 1.00 15.82 O ATOM 423 OE2 GLU A 28 9.935 7.986 23.715 1.00 17.50 O ATOM 424 HA GLU A 28 11.567 10.941 24.945 1.00 0.00 H ATOM 425 HB2 GLU A 28 11.277 11.637 22.648 1.00 0.00 H ATOM 426 HB3 GLU A 28 12.842 10.930 22.184 1.00 0.00 H ATOM 427 HG2 GLU A 28 10.903 9.590 21.433 1.00 0.00 H ATOM 428 HG3 GLU A 28 11.996 8.697 22.516 1.00 0.00 H ATOM 429 H GLU A 28 13.457 12.719 23.735 1.00 0.00 H ATOM 430 N GLU A 29 14.435 9.501 24.192 1.00 16.33 N ATOM 431 CA GLU A 29 15.329 8.393 24.523 1.00 16.54 C ATOM 432 C GLU A 29 15.647 8.333 26.012 1.00 15.51 C ATOM 433 O GLU A 29 15.737 7.251 26.590 1.00 15.46 O ATOM 434 CB GLU A 29 16.627 8.492 23.714 1.00 17.11 C ATOM 435 CG GLU A 29 16.795 7.382 22.678 1.00 20.59 C ATOM 436 CD GLU A 29 17.893 6.399 23.058 1.00 24.38 C ATOM 437 OE1 GLU A 29 19.081 6.804 23.020 1.00 25.72 O ATOM 438 OE2 GLU A 29 17.575 5.226 23.380 1.00 25.67 O ATOM 439 HA GLU A 29 14.807 7.473 24.261 1.00 0.00 H ATOM 440 HB2 GLU A 29 16.637 9.451 23.195 1.00 0.00 H ATOM 441 HB3 GLU A 29 17.468 8.446 24.406 1.00 0.00 H ATOM 442 HG2 GLU A 29 15.854 6.840 22.589 1.00 0.00 H ATOM 443 HG3 GLU A 29 17.045 7.833 21.718 1.00 0.00 H ATOM 444 H GLU A 29 14.786 10.245 23.555 1.00 0.00 H ATOM 445 N ALA A 30 15.821 9.499 26.626 1.00 14.59 N ATOM 446 CA ALA A 30 16.002 9.575 28.071 1.00 13.86 C ATOM 447 C ALA A 30 14.763 9.017 28.777 1.00 13.43 C ATOM 448 O ALA A 30 14.878 8.139 29.639 1.00 13.09 O ATOM 449 CB ALA A 30 16.284 11.007 28.500 1.00 13.55 C ATOM 450 HA ALA A 30 16.863 8.971 28.356 1.00 0.00 H ATOM 451 HB1 ALA A 30 17.192 11.359 28.010 1.00 0.00 H ATOM 452 HB2 ALA A 30 15.446 11.642 28.214 1.00 0.00 H ATOM 453 HB3 ALA A 30 16.416 11.042 29.581 1.00 0.00 H ATOM 454 H ALA A 30 15.828 10.374 26.065 1.00 0.00 H ATOM 455 N ILE A 31 13.585 9.505 28.374 1.00 12.77 N ATOM 456 CA ILE A 31 12.313 9.051 28.941 1.00 12.56 C ATOM 457 C ILE A 31 12.070 7.548 28.767 1.00 12.30 C ATOM 458 O ILE A 31 11.700 6.876 29.733 1.00 12.15 O ATOM 459 CB ILE A 31 11.103 9.879 28.421 1.00 12.50 C ATOM 460 CG1 ILE A 31 11.124 11.295 29.020 1.00 12.50 C ATOM 461 CG2 ILE A 31 9.796 9.205 28.784 1.00 12.44 C ATOM 462 CD1 ILE A 31 10.276 12.327 28.244 1.00 12.82 C ATOM 463 HA ILE A 31 12.400 9.229 30.013 1.00 0.00 H ATOM 464 HB ILE A 31 11.183 9.942 27.336 1.00 0.00 H ATOM 465 HG12 ILE A 31 10.745 11.240 30.041 1.00 0.00 H ATOM 466 HG13 ILE A 31 12.157 11.644 29.036 1.00 0.00 H ATOM 467 HD11 ILE A 31 10.648 12.407 27.223 1.00 0.00 H ATOM 468 HD12 ILE A 31 9.236 12.002 28.228 1.00 0.00 H ATOM 469 HD13 ILE A 31 10.348 13.297 28.735 1.00 0.00 H ATOM 470 HG21 ILE A 31 9.763 8.213 28.334 1.00 0.00 H ATOM 471 HG22 ILE A 31 9.723 9.117 29.868 1.00 0.00 H ATOM 472 HG23 ILE A 31 8.964 9.802 28.410 1.00 0.00 H ATOM 473 H ILE A 31 13.571 10.233 27.631 1.00 0.00 H ATOM 474 N THR A 32 12.288 7.026 27.555 1.00 12.01 N ATOM 475 CA THR A 32 12.099 5.596 27.269 1.00 12.10 C ATOM 476 C THR A 32 12.904 4.741 28.244 1.00 11.45 C ATOM 477 O THR A 32 12.396 3.785 28.817 1.00 11.63 O ATOM 478 CB THR A 32 12.499 5.222 25.812 1.00 12.04 C ATOM 479 OG1 THR A 32 11.879 6.118 24.890 1.00 13.25 O ATOM 480 CG2 THR A 32 12.047 3.818 25.466 1.00 13.14 C ATOM 481 HA THR A 32 11.034 5.395 27.389 1.00 0.00 H ATOM 482 HB THR A 32 13.585 5.286 25.744 1.00 0.00 H ATOM 483 HG1 THR A 32 12.174 7.043 25.082 1.00 0.00 H ATOM 484 HG23 THR A 32 12.506 3.110 26.156 1.00 0.00 H ATOM 485 HG21 THR A 32 10.962 3.756 25.549 1.00 0.00 H ATOM 486 HG22 THR A 32 12.349 3.581 24.446 1.00 0.00 H ATOM 487 H THR A 32 12.602 7.654 26.788 1.00 0.00 H ATOM 488 N ASN A 33 14.166 5.104 28.421 1.00 11.02 N ATOM 489 CA ASN A 33 15.073 4.364 29.279 1.00 10.62 C ATOM 490 C ASN A 33 14.772 4.500 30.782 1.00 10.21 C ATOM 491 O ASN A 33 14.892 3.527 31.524 1.00 9.64 O ATOM 492 CB ASN A 33 16.518 4.722 28.927 1.00 10.31 C ATOM 493 CG ASN A 33 16.997 4.004 27.673 1.00 11.47 C ATOM 494 OD1 ASN A 33 17.216 2.794 27.696 1.00 11.95 O ATOM 495 ND2 ASN A 33 17.151 4.744 26.571 1.00 10.58 N ATOM 496 HA ASN A 33 14.915 3.304 29.081 1.00 0.00 H ATOM 497 HB2 ASN A 33 16.584 5.798 28.763 1.00 0.00 H ATOM 498 HB3 ASN A 33 17.163 4.442 29.760 1.00 0.00 H ATOM 499 HD22 ASN A 33 16.954 5.765 26.598 1.00 0.00 H ATOM 500 HD21 ASN A 33 17.468 4.299 25.686 1.00 0.00 H ATOM 501 H ASN A 33 14.519 5.949 27.928 1.00 0.00 H ATOM 502 N TYR A 34 14.364 5.697 31.211 1.00 10.17 N ATOM 503 CA TYR A 34 13.895 5.924 32.585 1.00 10.04 C ATOM 504 C TYR A 34 12.679 5.034 32.888 1.00 10.50 C ATOM 505 O TYR A 34 12.612 4.401 33.950 1.00 10.23 O ATOM 506 CB TYR A 34 13.514 7.397 32.811 1.00 9.84 C ATOM 507 CG TYR A 34 14.657 8.373 33.052 1.00 9.60 C ATOM 508 CD1 TYR A 34 15.618 8.143 34.047 1.00 8.84 C ATOM 509 CD2 TYR A 34 14.744 9.556 32.318 1.00 10.13 C ATOM 510 CE1 TYR A 34 16.657 9.055 34.271 1.00 9.18 C ATOM 511 CE2 TYR A 34 15.775 10.472 32.530 1.00 10.26 C ATOM 512 CZ TYR A 34 16.722 10.216 33.510 1.00 9.95 C ATOM 513 OH TYR A 34 17.728 11.121 33.714 1.00 10.59 O ATOM 514 HA TYR A 34 14.714 5.669 33.258 1.00 0.00 H ATOM 515 HB3 TYR A 34 12.856 7.438 33.679 1.00 0.00 H ATOM 516 HB2 TYR A 34 12.971 7.736 31.929 1.00 0.00 H ATOM 517 HD2 TYR A 34 13.989 9.770 31.561 1.00 0.00 H ATOM 518 HE2 TYR A 34 15.835 11.380 31.931 1.00 0.00 H ATOM 519 HE1 TYR A 34 17.408 8.856 35.035 1.00 0.00 H ATOM 520 HD1 TYR A 34 15.555 7.241 34.655 1.00 0.00 H ATOM 521 HH TYR A 34 17.338 11.995 33.968 1.00 0.00 H ATOM 522 H TYR A 34 14.379 6.498 30.548 1.00 0.00 H ATOM 523 N LYS A 35 11.726 4.986 31.953 1.00 10.57 N ATOM 524 CA LYS A 35 10.513 4.179 32.124 1.00 10.95 C ATOM 525 C LYS A 35 10.850 2.698 32.253 1.00 10.70 C ATOM 526 O LYS A 35 10.215 1.974 33.020 1.00 9.97 O ATOM 527 CB LYS A 35 9.540 4.374 30.959 1.00 10.80 C ATOM 528 CG LYS A 35 8.819 5.704 30.936 1.00 12.94 C ATOM 529 CD LYS A 35 7.685 5.667 29.918 1.00 15.19 C ATOM 530 CE LYS A 35 7.123 7.050 29.649 1.00 17.04 C ATOM 531 NZ LYS A 35 6.240 7.543 30.726 1.00 18.23 N ATOM 532 HA LYS A 35 10.036 4.520 33.043 1.00 0.00 H ATOM 533 HB2 LYS A 35 10.103 4.279 30.030 1.00 0.00 H ATOM 534 HB3 LYS A 35 8.790 3.585 31.010 1.00 0.00 H ATOM 535 HG2 LYS A 35 8.410 5.910 31.925 1.00 0.00 H ATOM 536 HG3 LYS A 35 9.522 6.491 30.664 1.00 0.00 H ATOM 537 HD2 LYS A 35 8.063 5.252 28.984 1.00 0.00 H ATOM 538 HD3 LYS A 35 6.887 5.030 30.301 1.00 0.00 H ATOM 539 HE2 LYS A 35 6.552 7.017 28.721 1.00 0.00 H ATOM 540 HE3 LYS A 35 7.955 7.746 29.538 1.00 0.00 H ATOM 541 HZ1 LYS A 35 5.435 6.894 30.837 1.00 0.00 H ATOM 542 HZ2 LYS A 35 6.775 7.590 31.617 1.00 0.00 H ATOM 543 HZ3 LYS A 35 5.891 8.491 30.480 1.00 0.00 H ATOM 544 H LYS A 35 11.848 5.536 31.079 1.00 0.00 H ATOM 545 N LYS A 36 11.850 2.264 31.486 1.00 11.01 N ATOM 546 CA LYS A 36 12.281 0.869 31.484 1.00 11.65 C ATOM 547 C LYS A 36 13.021 0.514 32.769 1.00 11.46 C ATOM 548 O LYS A 36 12.920 -0.611 33.256 1.00 11.69 O ATOM 549 CB LYS A 36 13.119 0.547 30.239 1.00 11.49 C ATOM 550 CG LYS A 36 12.275 0.427 28.969 1.00 12.02 C ATOM 551 CD LYS A 36 13.129 0.188 27.729 1.00 12.27 C ATOM 552 CE LYS A 36 12.284 0.148 26.446 1.00 14.08 C ATOM 553 NZ LYS A 36 11.239 -0.934 26.452 1.00 15.60 N ATOM 554 HA LYS A 36 11.387 0.246 31.444 1.00 0.00 H ATOM 555 HB2 LYS A 36 13.851 1.342 30.097 1.00 0.00 H ATOM 556 HB3 LYS A 36 13.638 -0.398 30.403 1.00 0.00 H ATOM 557 HG2 LYS A 36 11.583 -0.407 29.085 1.00 0.00 H ATOM 558 HG3 LYS A 36 11.711 1.350 28.834 1.00 0.00 H ATOM 559 HD2 LYS A 36 13.860 0.992 27.644 1.00 0.00 H ATOM 560 HD3 LYS A 36 13.649 -0.764 27.838 1.00 0.00 H ATOM 561 HE2 LYS A 36 12.949 -0.019 25.599 1.00 0.00 H ATOM 562 HE3 LYS A 36 11.785 1.110 26.331 1.00 0.00 H ATOM 563 HZ1 LYS A 36 11.701 -1.860 26.551 1.00 0.00 H ATOM 564 HZ2 LYS A 36 10.589 -0.782 27.250 1.00 0.00 H ATOM 565 HZ3 LYS A 36 10.706 -0.905 25.559 1.00 0.00 H ATOM 566 H LYS A 36 12.340 2.942 30.868 1.00 0.00 H ATOM 567 N ALA A 37 13.759 1.480 33.309 1.00 11.31 N ATOM 568 CA ALA A 37 14.382 1.337 34.624 1.00 11.34 C ATOM 569 C ALA A 37 13.315 1.270 35.724 1.00 11.42 C ATOM 570 O ALA A 37 13.400 0.435 36.628 1.00 10.88 O ATOM 571 CB ALA A 37 15.354 2.478 34.877 1.00 10.97 C ATOM 572 HA ALA A 37 14.942 0.402 34.642 1.00 0.00 H ATOM 573 HB1 ALA A 37 16.131 2.468 34.113 1.00 0.00 H ATOM 574 HB2 ALA A 37 14.817 3.426 34.839 1.00 0.00 H ATOM 575 HB3 ALA A 37 15.808 2.355 35.860 1.00 0.00 H ATOM 576 H ALA A 37 13.897 2.364 32.779 1.00 0.00 H ATOM 577 N ILE A 38 12.310 2.143 35.626 1.00 11.87 N ATOM 578 CA ILE A 38 11.181 2.164 36.571 1.00 12.50 C ATOM 579 C ILE A 38 10.454 0.813 36.601 1.00 12.63 C ATOM 580 O ILE A 38 10.215 0.252 37.673 1.00 12.21 O ATOM 581 CB ILE A 38 10.184 3.321 36.274 1.00 12.25 C ATOM 582 CG1 ILE A 38 10.795 4.666 36.671 1.00 12.49 C ATOM 583 CG2 ILE A 38 8.852 3.109 37.029 1.00 13.33 C ATOM 584 CD1 ILE A 38 10.137 5.881 36.001 1.00 12.79 C ATOM 585 HA ILE A 38 11.604 2.348 37.559 1.00 0.00 H ATOM 586 HB ILE A 38 9.980 3.323 35.203 1.00 0.00 H ATOM 587 HG12 ILE A 38 10.701 4.779 37.751 1.00 0.00 H ATOM 588 HG13 ILE A 38 11.850 4.656 36.399 1.00 0.00 H ATOM 589 HD11 ILE A 38 10.233 5.794 34.919 1.00 0.00 H ATOM 590 HD12 ILE A 38 9.082 5.917 36.272 1.00 0.00 H ATOM 591 HD13 ILE A 38 10.631 6.792 36.338 1.00 0.00 H ATOM 592 HG21 ILE A 38 8.402 2.168 36.712 1.00 0.00 H ATOM 593 HG22 ILE A 38 9.045 3.078 38.101 1.00 0.00 H ATOM 594 HG23 ILE A 38 8.173 3.932 36.804 1.00 0.00 H ATOM 595 H ILE A 38 12.325 2.836 34.851 1.00 0.00 H ATOM 596 N GLU A 39 10.139 0.284 35.420 1.00 12.90 N ATOM 597 CA GLU A 39 9.464 -1.007 35.319 1.00 13.47 C ATOM 598 C GLU A 39 10.265 -2.156 35.951 1.00 12.73 C ATOM 599 O GLU A 39 9.697 -3.000 36.644 1.00 12.67 O ATOM 600 CB GLU A 39 9.123 -1.319 33.860 1.00 13.47 C ATOM 601 CG GLU A 39 8.137 -2.464 33.683 1.00 14.86 C ATOM 602 CD GLU A 39 8.025 -2.919 32.234 1.00 15.16 C ATOM 603 OE1 GLU A 39 8.805 -2.426 31.386 1.00 17.96 O ATOM 604 OE2 GLU A 39 7.157 -3.771 31.948 1.00 16.37 O ATOM 605 HA GLU A 39 8.541 -0.925 35.893 1.00 0.00 H ATOM 606 HB2 GLU A 39 8.693 -0.424 33.410 1.00 0.00 H ATOM 607 HB3 GLU A 39 10.046 -1.578 33.341 1.00 0.00 H ATOM 608 HG2 GLU A 39 8.467 -3.307 34.290 1.00 0.00 H ATOM 609 HG3 GLU A 39 7.155 -2.136 34.023 1.00 0.00 H ATOM 610 H GLU A 39 10.379 0.802 34.551 1.00 0.00 H ATOM 611 N VAL A 40 11.573 -2.196 35.710 1.00 12.18 N ATOM 612 CA VAL A 40 12.424 -3.221 36.346 1.00 11.77 C ATOM 613 C VAL A 40 12.487 -3.008 37.865 1.00 11.31 C ATOM 614 O VAL A 40 12.430 -3.970 38.634 1.00 11.11 O ATOM 615 CB VAL A 40 13.858 -3.271 35.751 1.00 11.68 C ATOM 616 CG1 VAL A 40 14.685 -4.358 36.424 1.00 11.75 C ATOM 617 CG2 VAL A 40 13.815 -3.514 34.234 1.00 11.84 C ATOM 618 HA VAL A 40 11.958 -4.184 36.135 1.00 0.00 H ATOM 619 HB VAL A 40 14.327 -2.305 35.937 1.00 0.00 H ATOM 620 HG11 VAL A 40 14.754 -4.151 37.492 1.00 0.00 H ATOM 621 HG12 VAL A 40 14.206 -5.325 36.270 1.00 0.00 H ATOM 622 HG13 VAL A 40 15.685 -4.373 35.990 1.00 0.00 H ATOM 623 HG21 VAL A 40 13.319 -4.463 34.033 1.00 0.00 H ATOM 624 HG22 VAL A 40 13.264 -2.706 33.753 1.00 0.00 H ATOM 625 HG23 VAL A 40 14.832 -3.544 33.843 1.00 0.00 H ATOM 626 H VAL A 40 12.000 -1.499 35.067 1.00 0.00 H ATOM 627 N LEU A 41 12.594 -1.747 38.285 1.00 11.07 N ATOM 628 CA LEU A 41 12.636 -1.406 39.709 1.00 11.09 C ATOM 629 C LEU A 41 11.308 -1.714 40.414 1.00 11.25 C ATOM 630 O LEU A 41 11.303 -2.137 41.569 1.00 10.75 O ATOM 631 CB LEU A 41 13.065 0.055 39.924 1.00 11.04 C ATOM 632 CG LEU A 41 14.526 0.450 39.628 1.00 11.04 C ATOM 633 CD1 LEU A 41 14.708 1.975 39.592 1.00 10.99 C ATOM 634 CD2 LEU A 41 15.511 -0.180 40.613 1.00 10.78 C ATOM 635 HA LEU A 41 13.393 -2.042 40.168 1.00 0.00 H ATOM 636 HB2 LEU A 41 12.430 0.673 39.288 1.00 0.00 H ATOM 637 HB3 LEU A 41 12.873 0.295 40.970 1.00 0.00 H ATOM 638 HG LEU A 41 14.751 0.055 38.637 1.00 0.00 H ATOM 639 HD21 LEU A 41 15.271 0.148 41.624 1.00 0.00 H ATOM 640 HD22 LEU A 41 15.437 -1.266 40.555 1.00 0.00 H ATOM 641 HD23 LEU A 41 16.525 0.130 40.360 1.00 0.00 H ATOM 642 HD11 LEU A 41 14.074 2.397 38.812 1.00 0.00 H ATOM 643 HD12 LEU A 41 14.428 2.396 40.558 1.00 0.00 H ATOM 644 HD13 LEU A 41 15.751 2.210 39.381 1.00 0.00 H ATOM 645 H LEU A 41 12.649 -0.983 37.581 1.00 0.00 H ATOM 646 N ALA A 42 10.193 -1.527 39.707 1.00 11.51 N ATOM 647 CA ALA A 42 8.881 -1.909 40.233 1.00 11.88 C ATOM 648 C ALA A 42 8.780 -3.424 40.421 1.00 11.91 C ATOM 649 O ALA A 42 8.214 -3.893 41.408 1.00 12.13 O ATOM 650 CB ALA A 42 7.752 -1.386 39.335 1.00 11.84 C ATOM 651 HA ALA A 42 8.769 -1.446 41.213 1.00 0.00 H ATOM 652 HB1 ALA A 42 7.804 -0.298 39.284 1.00 0.00 H ATOM 653 HB2 ALA A 42 7.862 -1.804 38.334 1.00 0.00 H ATOM 654 HB3 ALA A 42 6.790 -1.685 39.751 1.00 0.00 H ATOM 655 H ALA A 42 10.257 -1.100 38.761 1.00 0.00 H ATOM 656 N GLN A 43 9.347 -4.179 39.482 1.00 11.74 N ATOM 657 CA GLN A 43 9.384 -5.636 39.573 1.00 11.69 C ATOM 658 C GLN A 43 10.200 -6.110 40.787 1.00 11.72 C ATOM 659 O GLN A 43 9.782 -7.031 41.505 1.00 11.13 O ATOM 660 CB GLN A 43 9.952 -6.238 38.282 1.00 11.82 C ATOM 661 CG GLN A 43 10.058 -7.763 38.290 1.00 12.40 C ATOM 662 CD GLN A 43 8.701 -8.440 38.231 1.00 13.60 C ATOM 663 OE1 GLN A 43 7.913 -8.181 37.324 1.00 14.71 O ATOM 664 NE2 GLN A 43 8.425 -9.323 39.193 1.00 13.30 N ATOM 665 HA GLN A 43 8.360 -5.983 39.707 1.00 0.00 H ATOM 666 HB2 GLN A 43 9.305 -5.945 37.455 1.00 0.00 H ATOM 667 HB3 GLN A 43 10.949 -5.827 38.124 1.00 0.00 H ATOM 668 HG2 GLN A 43 10.644 -8.078 37.426 1.00 0.00 H ATOM 669 HG3 GLN A 43 10.565 -8.074 39.204 1.00 0.00 H ATOM 670 HE22 GLN A 43 9.122 -9.511 39.942 1.00 0.00 H ATOM 671 HE21 GLN A 43 7.513 -9.823 39.194 1.00 0.00 H ATOM 672 H GLN A 43 9.778 -3.716 38.657 1.00 0.00 H ATOM 673 N LEU A 44 11.360 -5.478 40.989 1.00 11.52 N ATOM 674 CA LEU A 44 12.215 -5.724 42.157 1.00 11.76 C ATOM 675 C LEU A 44 11.496 -5.430 43.478 1.00 11.92 C ATOM 676 O LEU A 44 11.580 -6.218 44.419 1.00 11.93 O ATOM 677 CB LEU A 44 13.528 -4.935 42.051 1.00 11.52 C ATOM 678 CG LEU A 44 14.649 -5.499 41.160 1.00 11.08 C ATOM 679 CD1 LEU A 44 15.664 -4.429 40.814 1.00 10.31 C ATOM 680 CD2 LEU A 44 15.350 -6.697 41.801 1.00 10.94 C ATOM 681 HA LEU A 44 12.454 -6.787 42.160 1.00 0.00 H ATOM 682 HB2 LEU A 44 13.280 -3.945 41.669 1.00 0.00 H ATOM 683 HB3 LEU A 44 13.932 -4.844 43.059 1.00 0.00 H ATOM 684 HG LEU A 44 14.172 -5.844 40.242 1.00 0.00 H ATOM 685 HD21 LEU A 44 15.792 -6.393 42.750 1.00 0.00 H ATOM 686 HD22 LEU A 44 14.624 -7.491 41.975 1.00 0.00 H ATOM 687 HD23 LEU A 44 16.132 -7.058 41.134 1.00 0.00 H ATOM 688 HD11 LEU A 44 15.168 -3.619 40.279 1.00 0.00 H ATOM 689 HD12 LEU A 44 16.109 -4.042 41.731 1.00 0.00 H ATOM 690 HD13 LEU A 44 16.443 -4.859 40.184 1.00 0.00 H ATOM 691 H LEU A 44 11.672 -4.779 40.285 1.00 0.00 H ATOM 692 N VAL A 45 10.783 -4.306 43.529 1.00 12.58 N ATOM 693 CA VAL A 45 9.890 -3.977 44.645 1.00 13.27 C ATOM 694 C VAL A 45 8.835 -5.072 44.915 1.00 13.64 C ATOM 695 O VAL A 45 8.650 -5.455 46.057 1.00 13.50 O ATOM 696 CB VAL A 45 9.216 -2.587 44.454 1.00 13.46 C ATOM 697 CG1 VAL A 45 8.040 -2.388 45.432 1.00 13.05 C ATOM 698 CG2 VAL A 45 10.242 -1.469 44.622 1.00 13.24 C ATOM 699 HA VAL A 45 10.524 -3.927 45.530 1.00 0.00 H ATOM 700 HB VAL A 45 8.816 -2.550 43.441 1.00 0.00 H ATOM 701 HG11 VAL A 45 7.291 -3.161 45.260 1.00 0.00 H ATOM 702 HG12 VAL A 45 8.406 -2.456 46.457 1.00 0.00 H ATOM 703 HG13 VAL A 45 7.595 -1.407 45.268 1.00 0.00 H ATOM 704 HG21 VAL A 45 10.673 -1.520 45.622 1.00 0.00 H ATOM 705 HG22 VAL A 45 11.031 -1.586 43.879 1.00 0.00 H ATOM 706 HG23 VAL A 45 9.753 -0.505 44.485 1.00 0.00 H ATOM 707 H VAL A 45 10.863 -3.631 42.742 1.00 0.00 H ATOM 708 N SER A 46 8.158 -5.576 43.877 1.00 14.13 N ATOM 709 CA SER A 46 7.219 -6.705 44.052 1.00 14.76 C ATOM 710 C SER A 46 7.875 -7.949 44.637 1.00 14.51 C ATOM 711 O SER A 46 7.298 -8.606 45.499 1.00 14.74 O ATOM 712 CB SER A 46 6.548 -7.099 42.736 1.00 14.58 C ATOM 713 OG SER A 46 5.682 -6.079 42.287 1.00 16.52 O ATOM 714 HA SER A 46 6.475 -6.336 44.758 1.00 0.00 H ATOM 715 HB2 SER A 46 5.975 -8.014 42.887 1.00 0.00 H ATOM 716 HB3 SER A 46 7.316 -7.273 41.982 1.00 0.00 H ATOM 717 HG SER A 46 6.200 -5.247 42.144 1.00 0.00 H ATOM 718 H SER A 46 8.294 -5.167 42.931 1.00 0.00 H ATOM 719 N LEU A 47 9.071 -8.269 44.151 1.00 14.52 N ATOM 720 CA LEU A 47 9.773 -9.494 44.532 1.00 14.62 C ATOM 721 C LEU A 47 10.406 -9.416 45.923 1.00 14.41 C ATOM 722 O LEU A 47 10.495 -10.427 46.621 1.00 14.32 O ATOM 723 CB LEU A 47 10.847 -9.842 43.499 1.00 14.43 C ATOM 724 CG LEU A 47 10.490 -10.532 42.174 1.00 15.80 C ATOM 725 CD1 LEU A 47 11.608 -10.326 41.162 1.00 14.85 C ATOM 726 CD2 LEU A 47 10.228 -12.021 42.365 1.00 16.12 C ATOM 727 HA LEU A 47 9.018 -10.280 44.564 1.00 0.00 H ATOM 728 HB2 LEU A 47 11.337 -8.904 43.236 1.00 0.00 H ATOM 729 HB3 LEU A 47 11.560 -10.494 44.004 1.00 0.00 H ATOM 730 HG LEU A 47 9.572 -10.079 41.801 1.00 0.00 H ATOM 731 HD21 LEU A 47 11.121 -12.497 42.770 1.00 0.00 H ATOM 732 HD22 LEU A 47 9.397 -12.157 43.057 1.00 0.00 H ATOM 733 HD23 LEU A 47 9.979 -12.471 41.404 1.00 0.00 H ATOM 734 HD11 LEU A 47 11.745 -9.259 40.986 1.00 0.00 H ATOM 735 HD12 LEU A 47 12.532 -10.753 41.552 1.00 0.00 H ATOM 736 HD13 LEU A 47 11.345 -10.819 40.226 1.00 0.00 H ATOM 737 H LEU A 47 9.525 -7.623 43.474 1.00 0.00 H ATOM 738 N TYR A 48 10.845 -8.220 46.316 1.00 14.23 N ATOM 739 CA TYR A 48 11.579 -8.042 47.572 1.00 14.05 C ATOM 740 C TYR A 48 11.069 -6.837 48.360 1.00 13.85 C ATOM 741 O TYR A 48 11.854 -6.090 48.939 1.00 13.47 O ATOM 742 CB TYR A 48 13.093 -7.938 47.301 1.00 14.13 C ATOM 743 CG TYR A 48 13.597 -8.980 46.327 1.00 14.53 C ATOM 744 CD1 TYR A 48 13.863 -10.292 46.745 1.00 14.77 C ATOM 745 CD2 TYR A 48 13.773 -8.666 44.980 1.00 13.44 C ATOM 746 CE1 TYR A 48 14.303 -11.255 45.848 1.00 14.13 C ATOM 747 CE2 TYR A 48 14.206 -9.621 44.075 1.00 14.94 C ATOM 748 CZ TYR A 48 14.472 -10.912 44.513 1.00 15.20 C ATOM 749 OH TYR A 48 14.908 -11.849 43.604 1.00 14.97 O ATOM 750 HA TYR A 48 11.403 -8.922 48.191 1.00 0.00 H ATOM 751 HB3 TYR A 48 13.623 -8.061 48.245 1.00 0.00 H ATOM 752 HB2 TYR A 48 13.305 -6.950 46.892 1.00 0.00 H ATOM 753 HD2 TYR A 48 13.567 -7.653 44.634 1.00 0.00 H ATOM 754 HE2 TYR A 48 14.337 -9.361 43.025 1.00 0.00 H ATOM 755 HE1 TYR A 48 14.514 -12.269 46.187 1.00 0.00 H ATOM 756 HD1 TYR A 48 13.722 -10.560 47.792 1.00 0.00 H ATOM 757 HH TYR A 48 15.053 -12.713 44.066 1.00 0.00 H ATOM 758 H TYR A 48 10.662 -7.391 45.715 1.00 0.00 H ATOM 759 N ARG A 49 9.742 -6.679 48.383 1.00 13.93 N ATOM 760 CA ARG A 49 9.057 -5.544 49.009 1.00 14.12 C ATOM 761 C ARG A 49 9.483 -5.259 50.451 1.00 13.37 C ATOM 762 O ARG A 49 9.575 -4.102 50.862 1.00 12.78 O ATOM 763 CB ARG A 49 7.539 -5.762 48.951 1.00 14.28 C ATOM 764 CG ARG A 49 6.695 -4.557 49.379 1.00 15.56 C ATOM 765 CD ARG A 49 5.196 -4.800 49.127 1.00 16.12 C ATOM 766 NE ARG A 49 4.930 -5.105 47.716 1.00 19.95 N ATOM 767 CZ ARG A 49 4.613 -4.200 46.795 1.00 20.98 C ATOM 768 NH1 ARG A 49 4.512 -2.917 47.118 1.00 21.84 N ATOM 769 NH2 ARG A 49 4.397 -4.577 45.542 1.00 22.48 N ATOM 770 HA ARG A 49 9.350 -4.665 48.434 1.00 0.00 H ATOM 771 HB2 ARG A 49 7.272 -6.015 47.925 1.00 0.00 H ATOM 772 HB3 ARG A 49 7.292 -6.598 49.605 1.00 0.00 H ATOM 773 HG2 ARG A 49 6.851 -4.375 50.442 1.00 0.00 H ATOM 774 HG3 ARG A 49 7.013 -3.682 48.812 1.00 0.00 H ATOM 775 HD2 ARG A 49 4.640 -3.905 49.407 1.00 0.00 H ATOM 776 HD3 ARG A 49 4.865 -5.639 49.739 1.00 0.00 H ATOM 777 HE ARG A 49 4.994 -6.099 47.416 1.00 0.00 H ATOM 778 HH12 ARG A 49 4.264 -2.216 46.391 1.00 0.00 H ATOM 779 HH11 ARG A 49 4.681 -2.613 48.098 1.00 0.00 H ATOM 780 HH22 ARG A 49 4.149 -3.869 44.821 1.00 0.00 H ATOM 781 HH21 ARG A 49 4.476 -5.580 45.280 1.00 0.00 H ATOM 782 H ARG A 49 9.157 -7.409 47.927 1.00 0.00 H ATOM 783 N ASP A 50 9.746 -6.321 51.205 1.00 13.25 N ATOM 784 CA ASP A 50 9.959 -6.202 52.643 1.00 13.10 C ATOM 785 C ASP A 50 11.428 -6.191 53.039 1.00 13.02 C ATOM 786 O ASP A 50 11.744 -6.152 54.232 1.00 13.45 O ATOM 787 CB ASP A 50 9.200 -7.308 53.372 1.00 13.24 C ATOM 788 CG ASP A 50 7.702 -7.241 53.124 1.00 13.47 C ATOM 789 OD1 ASP A 50 7.084 -6.221 53.491 1.00 13.13 O ATOM 790 OD2 ASP A 50 7.147 -8.203 52.554 1.00 14.19 O ATOM 791 HA ASP A 50 9.567 -5.231 52.945 1.00 0.00 H ATOM 792 HB2 ASP A 50 9.570 -8.273 53.027 1.00 0.00 H ATOM 793 HB3 ASP A 50 9.383 -7.212 54.442 1.00 0.00 H ATOM 794 H ASP A 50 9.801 -7.259 50.759 1.00 0.00 H ATOM 795 N GLY A 51 12.317 -6.212 52.040 1.00 12.60 N ATOM 796 CA GLY A 51 13.764 -6.165 52.266 1.00 11.97 C ATOM 797 C GLY A 51 14.299 -4.756 52.466 1.00 11.92 C ATOM 798 O GLY A 51 13.570 -3.777 52.310 1.00 12.13 O ATOM 799 HA3 GLY A 51 14.263 -6.605 51.403 1.00 0.00 H ATOM 800 HA2 GLY A 51 13.994 -6.752 53.155 1.00 0.00 H ATOM 801 H GLY A 51 11.967 -6.264 51.062 1.00 0.00 H ATOM 802 N SER A 52 15.581 -4.655 52.807 1.00 11.74 N ATOM 803 CA SER A 52 16.221 -3.365 53.047 1.00 11.92 C ATOM 804 C SER A 52 16.510 -2.566 51.770 1.00 11.82 C ATOM 805 O SER A 52 16.486 -1.332 51.800 1.00 11.93 O ATOM 806 CB SER A 52 17.494 -3.523 53.896 1.00 11.80 C ATOM 807 OG SER A 52 18.419 -4.396 53.281 1.00 11.60 O ATOM 808 HA SER A 52 15.493 -2.779 53.608 1.00 0.00 H ATOM 809 HB2 SER A 52 17.222 -3.925 54.872 1.00 0.00 H ATOM 810 HB3 SER A 52 17.959 -2.546 54.023 1.00 0.00 H ATOM 811 HG SER A 52 19.225 -4.476 53.851 1.00 0.00 H ATOM 812 H SER A 52 16.145 -5.523 52.906 1.00 0.00 H ATOM 813 N THR A 53 16.763 -3.258 50.659 1.00 11.76 N ATOM 814 CA THR A 53 17.045 -2.588 49.381 1.00 11.56 C ATOM 815 C THR A 53 15.812 -1.867 48.812 1.00 11.73 C ATOM 816 O THR A 53 15.955 -0.916 48.041 1.00 11.96 O ATOM 817 CB THR A 53 17.608 -3.562 48.289 1.00 11.84 C ATOM 818 OG1 THR A 53 18.348 -4.627 48.890 1.00 10.64 O ATOM 819 CG2 THR A 53 18.517 -2.812 47.304 1.00 11.08 C ATOM 820 HA THR A 53 17.813 -1.852 49.620 1.00 0.00 H ATOM 821 HB THR A 53 16.756 -3.976 47.749 1.00 0.00 H ATOM 822 HG1 THR A 53 18.693 -5.228 48.183 1.00 0.00 H ATOM 823 HG23 THR A 53 17.957 -1.998 46.843 1.00 0.00 H ATOM 824 HG21 THR A 53 19.375 -2.406 47.840 1.00 0.00 H ATOM 825 HG22 THR A 53 18.861 -3.501 46.533 1.00 0.00 H ATOM 826 H THR A 53 16.761 -4.297 50.697 1.00 0.00 H ATOM 827 N ALA A 54 14.613 -2.312 49.198 1.00 11.58 N ATOM 828 CA ALA A 54 13.362 -1.804 48.611 1.00 11.89 C ATOM 829 C ALA A 54 13.218 -0.279 48.704 1.00 12.22 C ATOM 830 O ALA A 54 12.716 0.345 47.766 1.00 11.99 O ATOM 831 CB ALA A 54 12.143 -2.503 49.216 1.00 11.92 C ATOM 832 HA ALA A 54 13.413 -2.042 47.549 1.00 0.00 H ATOM 833 HB1 ALA A 54 12.208 -3.574 49.025 1.00 0.00 H ATOM 834 HB2 ALA A 54 12.120 -2.326 50.291 1.00 0.00 H ATOM 835 HB3 ALA A 54 11.235 -2.106 48.762 1.00 0.00 H ATOM 836 H ALA A 54 14.562 -3.041 49.938 1.00 0.00 H ATOM 837 N ALA A 55 13.682 0.306 49.815 1.00 12.19 N ATOM 838 CA ALA A 55 13.657 1.758 50.014 1.00 12.53 C ATOM 839 C ALA A 55 14.475 2.501 48.955 1.00 12.83 C ATOM 840 O ALA A 55 14.080 3.579 48.505 1.00 13.04 O ATOM 841 CB ALA A 55 14.138 2.121 51.420 1.00 12.63 C ATOM 842 HA ALA A 55 12.621 2.078 49.905 1.00 0.00 H ATOM 843 HB1 ALA A 55 13.486 1.653 52.158 1.00 0.00 H ATOM 844 HB2 ALA A 55 15.159 1.764 51.557 1.00 0.00 H ATOM 845 HB3 ALA A 55 14.111 3.204 51.544 1.00 0.00 H ATOM 846 H ALA A 55 14.076 -0.294 50.567 1.00 0.00 H ATOM 847 N ILE A 56 15.607 1.920 48.561 1.00 13.02 N ATOM 848 CA ILE A 56 16.426 2.467 47.475 1.00 13.46 C ATOM 849 C ILE A 56 15.745 2.320 46.104 1.00 13.50 C ATOM 850 O ILE A 56 15.742 3.269 45.306 1.00 13.52 O ATOM 851 CB ILE A 56 17.853 1.858 47.458 1.00 13.48 C ATOM 852 CG1 ILE A 56 18.610 2.237 48.741 1.00 14.12 C ATOM 853 CG2 ILE A 56 18.620 2.313 46.217 1.00 14.02 C ATOM 854 CD1 ILE A 56 19.751 1.287 49.104 1.00 14.54 C ATOM 855 HA ILE A 56 16.527 3.534 47.675 1.00 0.00 H ATOM 856 HB ILE A 56 17.766 0.772 47.419 1.00 0.00 H ATOM 857 HG12 ILE A 56 19.026 3.236 48.609 1.00 0.00 H ATOM 858 HG13 ILE A 56 17.899 2.247 49.567 1.00 0.00 H ATOM 859 HD11 ILE A 56 19.353 0.283 49.253 1.00 0.00 H ATOM 860 HD12 ILE A 56 20.482 1.273 48.295 1.00 0.00 H ATOM 861 HD13 ILE A 56 20.229 1.630 50.021 1.00 0.00 H ATOM 862 HG21 ILE A 56 18.087 1.989 45.323 1.00 0.00 H ATOM 863 HG22 ILE A 56 18.700 3.400 46.219 1.00 0.00 H ATOM 864 HG23 ILE A 56 19.617 1.874 46.227 1.00 0.00 H ATOM 865 H ILE A 56 15.920 1.051 49.039 1.00 0.00 H ATOM 866 N TYR A 57 15.171 1.145 45.830 1.00 13.44 N ATOM 867 CA TYR A 57 14.376 0.957 44.604 1.00 13.47 C ATOM 868 C TYR A 57 13.286 2.022 44.510 1.00 13.68 C ATOM 869 O TYR A 57 13.109 2.657 43.468 1.00 13.22 O ATOM 870 CB TYR A 57 13.676 -0.401 44.567 1.00 13.05 C ATOM 871 CG TYR A 57 14.525 -1.646 44.696 1.00 12.83 C ATOM 872 CD1 TYR A 57 15.842 -1.696 44.226 1.00 12.20 C ATOM 873 CD2 TYR A 57 13.973 -2.808 45.240 1.00 11.70 C ATOM 874 CE1 TYR A 57 16.590 -2.865 44.338 1.00 11.78 C ATOM 875 CE2 TYR A 57 14.707 -3.972 45.357 1.00 11.47 C ATOM 876 CZ TYR A 57 16.010 -3.998 44.906 1.00 11.73 C ATOM 877 OH TYR A 57 16.721 -5.166 45.034 1.00 12.59 O ATOM 878 HA TYR A 57 15.079 1.028 43.774 1.00 0.00 H ATOM 879 HB3 TYR A 57 13.148 -0.467 43.616 1.00 0.00 H ATOM 880 HB2 TYR A 57 12.954 -0.415 45.384 1.00 0.00 H ATOM 881 HD2 TYR A 57 12.938 -2.796 45.581 1.00 0.00 H ATOM 882 HE2 TYR A 57 14.261 -4.862 45.802 1.00 0.00 H ATOM 883 HE1 TYR A 57 17.621 -2.894 43.984 1.00 0.00 H ATOM 884 HD1 TYR A 57 16.286 -0.812 43.768 1.00 0.00 H ATOM 885 HH TYR A 57 17.633 -5.037 44.671 1.00 0.00 H ATOM 886 H TYR A 57 15.287 0.351 46.492 1.00 0.00 H ATOM 887 N GLU A 58 12.557 2.197 45.614 1.00 14.14 N ATOM 888 CA GLU A 58 11.420 3.104 45.679 1.00 14.85 C ATOM 889 C GLU A 58 11.832 4.570 45.544 1.00 14.91 C ATOM 890 O GLU A 58 11.144 5.346 44.877 1.00 14.90 O ATOM 891 CB GLU A 58 10.613 2.851 46.957 1.00 15.51 C ATOM 892 CG GLU A 58 9.835 1.519 46.920 1.00 17.21 C ATOM 893 CD GLU A 58 9.595 0.901 48.294 1.00 20.29 C ATOM 894 OE1 GLU A 58 9.847 1.569 49.321 1.00 22.78 O ATOM 895 OE2 GLU A 58 9.151 -0.269 48.348 1.00 21.70 O ATOM 896 HA GLU A 58 10.780 2.895 44.822 1.00 0.00 H ATOM 897 HB2 GLU A 58 11.299 2.830 47.804 1.00 0.00 H ATOM 898 HB3 GLU A 58 9.902 3.667 47.087 1.00 0.00 H ATOM 899 HG2 GLU A 58 8.867 1.700 46.452 1.00 0.00 H ATOM 900 HG3 GLU A 58 10.401 0.808 46.318 1.00 0.00 H ATOM 901 H GLU A 58 12.813 1.661 46.467 1.00 0.00 H ATOM 902 N GLN A 59 12.961 4.929 46.158 1.00 14.79 N ATOM 903 CA GLN A 59 13.567 6.250 46.004 1.00 14.97 C ATOM 904 C GLN A 59 13.924 6.556 44.549 1.00 14.40 C ATOM 905 O GLN A 59 13.653 7.651 44.059 1.00 14.51 O ATOM 906 CB GLN A 59 14.822 6.379 46.883 1.00 14.92 C ATOM 907 CG GLN A 59 15.501 7.754 46.834 1.00 15.64 C ATOM 908 CD GLN A 59 16.942 7.736 47.354 1.00 16.22 C ATOM 909 OE1 GLN A 59 17.225 7.163 48.409 1.00 18.60 O ATOM 910 NE2 GLN A 59 17.858 8.373 46.613 1.00 16.10 N ATOM 911 HA GLN A 59 12.822 6.977 46.326 1.00 0.00 H ATOM 912 HB2 GLN A 59 14.536 6.178 47.915 1.00 0.00 H ATOM 913 HB3 GLN A 59 15.544 5.631 46.555 1.00 0.00 H ATOM 914 HG2 GLN A 59 15.510 8.099 45.800 1.00 0.00 H ATOM 915 HG3 GLN A 59 14.922 8.448 47.443 1.00 0.00 H ATOM 916 HE22 GLN A 59 17.576 8.844 45.729 1.00 0.00 H ATOM 917 HE21 GLN A 59 18.851 8.397 46.921 1.00 0.00 H ATOM 918 H GLN A 59 13.432 4.237 46.775 1.00 0.00 H ATOM 919 N MET A 60 14.540 5.595 43.868 1.00 14.09 N ATOM 920 CA MET A 60 14.981 5.804 42.491 1.00 13.76 C ATOM 921 C MET A 60 13.820 5.857 41.489 1.00 13.47 C ATOM 922 O MET A 60 13.854 6.643 40.533 1.00 13.23 O ATOM 923 CB MET A 60 16.047 4.780 42.089 1.00 13.82 C ATOM 924 CG MET A 60 17.361 4.921 42.879 1.00 14.36 C ATOM 925 SD MET A 60 17.955 6.623 43.128 1.00 14.57 S ATOM 926 CE MET A 60 18.539 7.024 41.485 1.00 11.95 C ATOM 927 HA MET A 60 15.442 6.791 42.457 1.00 0.00 H ATOM 928 HB2 MET A 60 15.647 3.780 42.259 1.00 0.00 H ATOM 929 HB3 MET A 60 16.266 4.907 41.029 1.00 0.00 H ATOM 930 HG2 MET A 60 18.135 4.371 42.343 1.00 0.00 H ATOM 931 HG3 MET A 60 17.212 4.471 43.861 1.00 0.00 H ATOM 932 HE1 MET A 60 19.326 6.325 41.200 1.00 0.00 H ATOM 933 HE2 MET A 60 17.712 6.950 40.779 1.00 0.00 H ATOM 934 HE3 MET A 60 18.934 8.040 41.479 1.00 0.00 H ATOM 935 H MET A 60 14.711 4.676 44.324 1.00 0.00 H ATOM 936 N ILE A 61 12.801 5.030 41.720 1.00 13.11 N ATOM 937 CA ILE A 61 11.553 5.085 40.947 1.00 13.24 C ATOM 938 C ILE A 61 11.017 6.521 40.951 1.00 13.49 C ATOM 939 O ILE A 61 10.706 7.078 39.900 1.00 13.29 O ATOM 940 CB ILE A 61 10.485 4.076 41.481 1.00 13.02 C ATOM 941 CG1 ILE A 61 10.840 2.647 41.058 1.00 12.41 C ATOM 942 CG2 ILE A 61 9.071 4.425 40.985 1.00 13.05 C ATOM 943 CD1 ILE A 61 9.994 1.566 41.707 1.00 12.65 C ATOM 944 HA ILE A 61 11.769 4.786 39.921 1.00 0.00 H ATOM 945 HB ILE A 61 10.490 4.146 42.569 1.00 0.00 H ATOM 946 HG12 ILE A 61 10.718 2.572 39.978 1.00 0.00 H ATOM 947 HG13 ILE A 61 11.883 2.465 41.318 1.00 0.00 H ATOM 948 HD11 ILE A 61 10.113 1.614 42.789 1.00 0.00 H ATOM 949 HD12 ILE A 61 8.947 1.722 41.448 1.00 0.00 H ATOM 950 HD13 ILE A 61 10.317 0.589 41.348 1.00 0.00 H ATOM 951 HG21 ILE A 61 8.802 5.423 41.330 1.00 0.00 H ATOM 952 HG22 ILE A 61 9.053 4.399 39.895 1.00 0.00 H ATOM 953 HG23 ILE A 61 8.360 3.699 41.379 1.00 0.00 H ATOM 954 H ILE A 61 12.893 4.320 42.475 1.00 0.00 H ATOM 955 N ASN A 62 10.956 7.125 42.133 1.00 13.92 N ATOM 956 CA ASN A 62 10.417 8.472 42.275 1.00 14.36 C ATOM 957 C ASN A 62 11.272 9.551 41.621 1.00 14.17 C ATOM 958 O ASN A 62 10.741 10.460 40.983 1.00 14.23 O ATOM 959 CB ASN A 62 10.153 8.791 43.746 1.00 14.61 C ATOM 960 CG ASN A 62 9.014 7.983 44.314 1.00 15.63 C ATOM 961 OD1 ASN A 62 8.022 7.718 43.630 1.00 17.97 O ATOM 962 ND2 ASN A 62 9.141 7.587 45.573 1.00 16.45 N ATOM 963 HA ASN A 62 9.472 8.481 41.731 1.00 0.00 H ATOM 964 HB2 ASN A 62 11.055 8.575 44.319 1.00 0.00 H ATOM 965 HB3 ASN A 62 9.911 9.850 43.837 1.00 0.00 H ATOM 966 HD22 ASN A 62 9.996 7.834 46.112 1.00 0.00 H ATOM 967 HD21 ASN A 62 8.386 7.030 46.021 1.00 0.00 H ATOM 968 H ASN A 62 11.301 6.625 42.977 1.00 0.00 H ATOM 969 N GLU A 63 12.589 9.435 41.765 1.00 14.21 N ATOM 970 CA GLU A 63 13.517 10.344 41.103 1.00 14.34 C ATOM 971 C GLU A 63 13.360 10.276 39.589 1.00 14.25 C ATOM 972 O GLU A 63 13.303 11.308 38.920 1.00 14.41 O ATOM 973 CB GLU A 63 14.963 10.041 41.504 1.00 14.22 C ATOM 974 CG GLU A 63 15.304 10.453 42.929 1.00 14.90 C ATOM 975 CD GLU A 63 16.785 10.357 43.249 1.00 14.90 C ATOM 976 OE1 GLU A 63 17.119 10.294 44.449 1.00 16.79 O ATOM 977 OE2 GLU A 63 17.618 10.349 42.317 1.00 16.07 O ATOM 978 HA GLU A 63 13.277 11.357 41.428 1.00 0.00 H ATOM 979 HB2 GLU A 63 15.129 8.968 41.407 1.00 0.00 H ATOM 980 HB3 GLU A 63 15.628 10.573 40.824 1.00 0.00 H ATOM 981 HG2 GLU A 63 14.985 11.485 43.076 1.00 0.00 H ATOM 982 HG3 GLU A 63 14.760 9.805 43.616 1.00 0.00 H ATOM 983 H GLU A 63 12.967 8.675 42.366 1.00 0.00 H ATOM 984 N TYR A 64 13.280 9.059 39.058 1.00 14.24 N ATOM 985 CA TYR A 64 13.140 8.856 37.617 1.00 14.12 C ATOM 986 C TYR A 64 11.772 9.307 37.119 1.00 14.44 C ATOM 987 O TYR A 64 11.683 9.921 36.053 1.00 14.15 O ATOM 988 CB TYR A 64 13.429 7.401 37.224 1.00 13.83 C ATOM 989 CG TYR A 64 14.841 6.935 37.542 1.00 13.37 C ATOM 990 CD1 TYR A 64 15.899 7.841 37.625 1.00 12.74 C ATOM 991 CD2 TYR A 64 15.121 5.582 37.733 1.00 13.38 C ATOM 992 CE1 TYR A 64 17.190 7.414 37.914 1.00 12.80 C ATOM 993 CE2 TYR A 64 16.406 5.146 38.019 1.00 12.37 C ATOM 994 CZ TYR A 64 17.436 6.068 38.104 1.00 13.25 C ATOM 995 OH TYR A 64 18.714 5.642 38.391 1.00 13.42 O ATOM 996 HA TYR A 64 13.887 9.481 37.127 1.00 0.00 H ATOM 997 HB3 TYR A 64 13.269 7.299 36.151 1.00 0.00 H ATOM 998 HB2 TYR A 64 12.729 6.758 37.757 1.00 0.00 H ATOM 999 HD2 TYR A 64 14.314 4.853 37.656 1.00 0.00 H ATOM 1000 HE2 TYR A 64 16.604 4.086 38.176 1.00 0.00 H ATOM 1001 HE1 TYR A 64 18.003 8.136 37.990 1.00 0.00 H ATOM 1002 HD1 TYR A 64 15.710 8.902 37.460 1.00 0.00 H ATOM 1003 HH TYR A 64 19.323 6.422 38.414 1.00 0.00 H ATOM 1004 H TYR A 64 13.318 8.230 39.685 1.00 0.00 H ATOM 1005 N LYS A 65 10.722 9.021 37.895 1.00 14.64 N ATOM 1006 CA LYS A 65 9.375 9.506 37.580 1.00 15.52 C ATOM 1007 C LYS A 65 9.346 11.031 37.503 1.00 15.83 C ATOM 1008 O LYS A 65 8.713 11.598 36.614 1.00 15.84 O ATOM 1009 CB LYS A 65 8.346 9.039 38.614 1.00 15.42 C ATOM 1010 CG LYS A 65 7.876 7.608 38.475 1.00 15.94 C ATOM 1011 CD LYS A 65 6.673 7.368 39.377 1.00 16.66 C ATOM 1012 CE LYS A 65 6.172 5.937 39.290 1.00 17.78 C ATOM 1013 NZ LYS A 65 5.711 5.577 37.924 1.00 20.02 N ATOM 1014 HA LYS A 65 9.111 9.086 36.609 1.00 0.00 H ATOM 1015 HB2 LYS A 65 8.791 9.151 39.603 1.00 0.00 H ATOM 1016 HB3 LYS A 65 7.473 9.687 38.534 1.00 0.00 H ATOM 1017 HG2 LYS A 65 7.595 7.419 37.439 1.00 0.00 H ATOM 1018 HG3 LYS A 65 8.683 6.933 38.761 1.00 0.00 H ATOM 1019 HD2 LYS A 65 6.958 7.579 40.408 1.00 0.00 H ATOM 1020 HD3 LYS A 65 5.869 8.041 39.078 1.00 0.00 H ATOM 1021 HE2 LYS A 65 5.340 5.815 39.983 1.00 0.00 H ATOM 1022 HE3 LYS A 65 6.982 5.265 39.574 1.00 0.00 H ATOM 1023 HZ1 LYS A 65 4.932 6.207 37.645 1.00 0.00 H ATOM 1024 HZ2 LYS A 65 6.500 5.682 37.254 1.00 0.00 H ATOM 1025 HZ3 LYS A 65 5.380 4.591 37.920 1.00 0.00 H ATOM 1026 H LYS A 65 10.864 8.439 38.745 1.00 0.00 H ATOM 1027 N ARG A 66 10.030 11.683 38.441 1.00 16.34 N ATOM 1028 CA ARG A 66 10.094 13.144 38.478 1.00 17.20 C ATOM 1029 C ARG A 66 10.897 13.725 37.316 1.00 17.00 C ATOM 1030 O ARG A 66 10.556 14.789 36.805 1.00 17.23 O ATOM 1031 CB ARG A 66 10.660 13.635 39.810 1.00 17.37 C ATOM 1032 CG ARG A 66 9.616 13.962 40.852 1.00 20.11 C ATOM 1033 CD ARG A 66 10.292 14.307 42.170 1.00 24.54 C ATOM 1034 NE ARG A 66 10.367 13.141 43.046 1.00 27.24 N ATOM 1035 CZ ARG A 66 11.406 12.833 43.816 1.00 28.16 C ATOM 1036 NH1 ARG A 66 12.496 13.588 43.821 1.00 29.20 N ATOM 1037 NH2 ARG A 66 11.356 11.751 44.574 1.00 28.26 N ATOM 1038 HA ARG A 66 9.069 13.501 38.375 1.00 0.00 H ATOM 1039 HB2 ARG A 66 11.310 12.858 40.211 1.00 0.00 H ATOM 1040 HB3 ARG A 66 11.246 14.535 39.620 1.00 0.00 H ATOM 1041 HG2 ARG A 66 9.023 14.813 40.516 1.00 0.00 H ATOM 1042 HG3 ARG A 66 8.964 13.100 40.994 1.00 0.00 H ATOM 1043 HD2 ARG A 66 9.721 15.090 42.668 1.00 0.00 H ATOM 1044 HD3 ARG A 66 11.301 14.667 41.969 1.00 0.00 H ATOM 1045 HE ARG A 66 9.546 12.503 43.069 1.00 0.00 H ATOM 1046 HH12 ARG A 66 13.301 13.335 44.429 1.00 0.00 H ATOM 1047 HH11 ARG A 66 12.546 14.433 43.217 1.00 0.00 H ATOM 1048 HH22 ARG A 66 12.164 11.502 45.179 1.00 0.00 H ATOM 1049 HH21 ARG A 66 10.508 11.148 44.565 1.00 0.00 H ATOM 1050 H ARG A 66 10.534 11.137 39.169 1.00 0.00 H ATOM 1051 N ARG A 67 11.957 13.034 36.902 1.00 16.90 N ATOM 1052 CA ARG A 67 12.715 13.465 35.726 1.00 16.89 C ATOM 1053 C ARG A 67 11.918 13.296 34.422 1.00 16.84 C ATOM 1054 O ARG A 67 12.008 14.140 33.521 1.00 16.78 O ATOM 1055 CB ARG A 67 14.086 12.784 35.643 1.00 16.74 C ATOM 1056 CG ARG A 67 15.012 13.380 34.572 1.00 17.01 C ATOM 1057 CD ARG A 67 15.368 14.854 34.846 1.00 17.04 C ATOM 1058 NE ARG A 67 16.186 15.399 33.764 1.00 17.65 N ATOM 1059 CZ ARG A 67 16.568 16.669 33.645 1.00 17.38 C ATOM 1060 NH1 ARG A 67 16.222 17.582 34.549 1.00 18.05 N ATOM 1061 NH2 ARG A 67 17.301 17.028 32.605 1.00 16.85 N ATOM 1062 HA ARG A 67 12.894 14.533 35.851 1.00 0.00 H ATOM 1063 HB2 ARG A 67 14.576 12.878 36.612 1.00 0.00 H ATOM 1064 HB3 ARG A 67 13.933 11.729 35.416 1.00 0.00 H ATOM 1065 HG2 ARG A 67 15.933 12.798 34.544 1.00 0.00 H ATOM 1066 HG3 ARG A 67 14.514 13.315 33.605 1.00 0.00 H ATOM 1067 HD2 ARG A 67 15.923 14.920 35.782 1.00 0.00 H ATOM 1068 HD3 ARG A 67 14.449 15.435 34.928 1.00 0.00 H ATOM 1069 HE ARG A 67 16.496 14.738 33.023 1.00 0.00 H ATOM 1070 HH12 ARG A 67 16.531 18.569 34.436 1.00 0.00 H ATOM 1071 HH11 ARG A 67 15.642 17.309 35.368 1.00 0.00 H ATOM 1072 HH22 ARG A 67 17.606 18.017 32.500 1.00 0.00 H ATOM 1073 HH21 ARG A 67 17.573 16.322 31.892 1.00 0.00 H ATOM 1074 H ARG A 67 12.249 12.180 37.419 1.00 0.00 H ATOM 1075 N ILE A 68 11.139 12.214 34.337 1.00 16.82 N ATOM 1076 CA ILE A 68 10.197 12.004 33.227 1.00 16.62 C ATOM 1077 C ILE A 68 9.245 13.187 33.085 1.00 16.61 C ATOM 1078 O ILE A 68 9.041 13.692 31.981 1.00 16.69 O ATOM 1079 CB ILE A 68 9.324 10.735 33.417 1.00 16.60 C ATOM 1080 CG1 ILE A 68 10.179 9.459 33.522 1.00 16.88 C ATOM 1081 CG2 ILE A 68 8.265 10.632 32.307 1.00 16.09 C ATOM 1082 CD1 ILE A 68 10.547 8.832 32.234 1.00 17.05 C ATOM 1083 HA ILE A 68 10.817 11.890 32.338 1.00 0.00 H ATOM 1084 HB ILE A 68 8.799 10.831 34.367 1.00 0.00 H ATOM 1085 HG12 ILE A 68 11.100 9.713 34.047 1.00 0.00 H ATOM 1086 HG13 ILE A 68 9.620 8.727 34.105 1.00 0.00 H ATOM 1087 HD11 ILE A 68 9.641 8.553 31.695 1.00 0.00 H ATOM 1088 HD12 ILE A 68 11.122 9.540 31.638 1.00 0.00 H ATOM 1089 HD13 ILE A 68 11.148 7.942 32.423 1.00 0.00 H ATOM 1090 HG21 ILE A 68 7.621 11.511 32.338 1.00 0.00 H ATOM 1091 HG22 ILE A 68 8.761 10.577 31.338 1.00 0.00 H ATOM 1092 HG23 ILE A 68 7.665 9.735 32.461 1.00 0.00 H ATOM 1093 H ILE A 68 11.201 11.493 35.084 1.00 0.00 H ATOM 1094 N GLU A 69 8.658 13.611 34.203 1.00 16.66 N ATOM 1095 CA GLU A 69 7.665 14.683 34.204 1.00 17.00 C ATOM 1096 C GLU A 69 8.247 16.026 33.771 1.00 16.47 C ATOM 1097 O GLU A 69 7.564 16.810 33.117 1.00 16.28 O ATOM 1098 CB GLU A 69 6.948 14.786 35.563 1.00 17.47 C ATOM 1099 CG GLU A 69 6.006 13.599 35.864 1.00 19.58 C ATOM 1100 CD GLU A 69 5.118 13.207 34.666 1.00 22.41 C ATOM 1101 OE1 GLU A 69 4.207 13.995 34.310 1.00 22.94 O ATOM 1102 OE2 GLU A 69 5.333 12.112 34.083 1.00 22.13 O ATOM 1103 HA GLU A 69 6.920 14.416 33.455 1.00 0.00 H ATOM 1104 HB2 GLU A 69 7.703 14.833 36.347 1.00 0.00 H ATOM 1105 HB3 GLU A 69 6.359 15.703 35.572 1.00 0.00 H ATOM 1106 HG2 GLU A 69 6.613 12.737 36.142 1.00 0.00 H ATOM 1107 HG3 GLU A 69 5.361 13.872 36.699 1.00 0.00 H ATOM 1108 H GLU A 69 8.915 13.164 35.106 1.00 0.00 H ATOM 1109 N VAL A 70 9.510 16.273 34.115 1.00 16.24 N ATOM 1110 CA VAL A 70 10.234 17.439 33.606 1.00 16.19 C ATOM 1111 C VAL A 70 10.464 17.331 32.084 1.00 16.18 C ATOM 1112 O VAL A 70 10.063 18.222 31.329 1.00 16.05 O ATOM 1113 CB VAL A 70 11.574 17.667 34.353 1.00 16.31 C ATOM 1114 CG1 VAL A 70 12.310 18.881 33.792 1.00 16.51 C ATOM 1115 CG2 VAL A 70 11.335 17.842 35.863 1.00 16.12 C ATOM 1116 HA VAL A 70 9.607 18.310 33.796 1.00 0.00 H ATOM 1117 HB VAL A 70 12.196 16.785 34.200 1.00 0.00 H ATOM 1118 HG11 VAL A 70 12.520 18.720 32.735 1.00 0.00 H ATOM 1119 HG12 VAL A 70 11.687 19.768 33.909 1.00 0.00 H ATOM 1120 HG13 VAL A 70 13.246 19.019 34.333 1.00 0.00 H ATOM 1121 HG21 VAL A 70 10.688 18.703 36.030 1.00 0.00 H ATOM 1122 HG22 VAL A 70 10.859 16.946 36.260 1.00 0.00 H ATOM 1123 HG23 VAL A 70 12.290 18.000 36.365 1.00 0.00 H ATOM 1124 H VAL A 70 9.995 15.620 34.763 1.00 0.00 H ATOM 1125 N LEU A 71 11.081 16.233 31.645 1.00 15.95 N ATOM 1126 CA LEU A 71 11.471 16.060 30.229 1.00 15.51 C ATOM 1127 C LEU A 71 10.285 16.002 29.258 1.00 15.30 C ATOM 1128 O LEU A 71 10.389 16.433 28.113 1.00 14.52 O ATOM 1129 CB LEU A 71 12.372 14.832 30.054 1.00 15.10 C ATOM 1130 CG LEU A 71 13.746 14.845 30.736 1.00 15.23 C ATOM 1131 CD1 LEU A 71 14.387 13.461 30.673 1.00 13.96 C ATOM 1132 CD2 LEU A 71 14.660 15.893 30.122 1.00 15.43 C ATOM 1133 HA LEU A 71 12.030 16.958 29.967 1.00 0.00 H ATOM 1134 HB2 LEU A 71 11.826 13.971 30.440 1.00 0.00 H ATOM 1135 HB3 LEU A 71 12.541 14.703 28.985 1.00 0.00 H ATOM 1136 HG LEU A 71 13.598 15.111 31.783 1.00 0.00 H ATOM 1137 HD21 LEU A 71 14.801 15.675 29.063 1.00 0.00 H ATOM 1138 HD22 LEU A 71 14.208 16.878 30.235 1.00 0.00 H ATOM 1139 HD23 LEU A 71 15.625 15.874 30.629 1.00 0.00 H ATOM 1140 HD11 LEU A 71 13.745 12.741 31.181 1.00 0.00 H ATOM 1141 HD12 LEU A 71 14.511 13.166 29.631 1.00 0.00 H ATOM 1142 HD13 LEU A 71 15.361 13.490 31.162 1.00 0.00 H ATOM 1143 H LEU A 71 11.295 15.473 32.321 1.00 0.00 H ATOM 1144 N LYS A 72 9.170 15.465 29.742 1.00 15.72 N ATOM 1145 CA LYS A 72 7.913 15.373 29.003 1.00 16.53 C ATOM 1146 C LYS A 72 7.428 16.733 28.490 1.00 16.54 C ATOM 1147 O LYS A 72 6.844 16.813 27.412 1.00 16.06 O ATOM 1148 CB LYS A 72 6.843 14.758 29.907 1.00 16.48 C ATOM 1149 CG LYS A 72 5.572 14.313 29.203 1.00 17.84 C ATOM 1150 CD LYS A 72 4.563 13.783 30.212 1.00 17.76 C ATOM 1151 CE LYS A 72 3.294 13.289 29.526 1.00 20.37 C ATOM 1152 NZ LYS A 72 2.523 12.358 30.405 1.00 20.22 N ATOM 1153 HA LYS A 72 8.091 14.745 28.130 1.00 0.00 H ATOM 1154 HB2 LYS A 72 7.278 13.888 30.399 1.00 0.00 H ATOM 1155 HB3 LYS A 72 6.570 15.500 30.658 1.00 0.00 H ATOM 1156 HG2 LYS A 72 5.139 15.161 28.673 1.00 0.00 H ATOM 1157 HG3 LYS A 72 5.814 13.526 28.489 1.00 0.00 H ATOM 1158 HD2 LYS A 72 5.013 12.957 30.763 1.00 0.00 H ATOM 1159 HD3 LYS A 72 4.303 14.582 30.906 1.00 0.00 H ATOM 1160 HE2 LYS A 72 3.567 12.766 28.609 1.00 0.00 H ATOM 1161 HE3 LYS A 72 2.667 14.146 29.281 1.00 0.00 H ATOM 1162 HZ1 LYS A 72 3.114 11.534 30.638 1.00 0.00 H ATOM 1163 HZ2 LYS A 72 2.254 12.852 31.280 1.00 0.00 H ATOM 1164 HZ3 LYS A 72 1.667 12.042 29.907 1.00 0.00 H ATOM 1165 H LYS A 72 9.194 15.085 30.710 1.00 0.00 H ATOM 1166 N GLU A 73 7.676 17.785 29.275 1.00 16.82 N ATOM 1167 CA GLU A 73 7.245 19.150 28.954 1.00 17.42 C ATOM 1168 C GLU A 73 8.049 19.775 27.821 1.00 17.44 C ATOM 1169 O GLU A 73 7.591 20.693 27.144 1.00 17.76 O ATOM 1170 CB GLU A 73 7.319 20.038 30.200 1.00 17.54 C ATOM 1171 CG GLU A 73 6.321 19.680 31.295 1.00 18.58 C ATOM 1172 CD GLU A 73 4.870 19.715 30.825 1.00 21.13 C ATOM 1173 OE1 GLU A 73 4.542 20.473 29.878 1.00 22.18 O ATOM 1174 OE2 GLU A 73 4.050 18.981 31.412 1.00 22.04 O ATOM 1175 HA GLU A 73 6.213 19.079 28.612 1.00 0.00 H ATOM 1176 HB2 GLU A 73 8.323 19.958 30.616 1.00 0.00 H ATOM 1177 HB3 GLU A 73 7.134 21.068 29.895 1.00 0.00 H ATOM 1178 HG2 GLU A 73 6.545 18.675 31.652 1.00 0.00 H ATOM 1179 HG3 GLU A 73 6.437 20.390 32.114 1.00 0.00 H ATOM 1180 H GLU A 73 8.201 17.628 30.159 1.00 0.00 H ATOM 1181 N LEU A 74 9.273 19.295 27.648 1.00 17.47 N ATOM 1182 CA LEU A 74 10.061 19.605 26.476 1.00 17.52 C ATOM 1183 C LEU A 74 9.536 18.541 25.530 1.00 17.72 C ATOM 1184 O LEU A 74 8.997 17.545 26.000 1.00 18.74 O ATOM 1185 CB LEU A 74 11.548 19.420 26.792 1.00 17.22 C ATOM 1186 CG LEU A 74 11.968 19.810 28.221 1.00 16.87 C ATOM 1187 CD1 LEU A 74 13.375 19.352 28.550 1.00 16.73 C ATOM 1188 CD2 LEU A 74 11.816 21.312 28.479 1.00 18.43 C ATOM 1189 HA LEU A 74 9.983 20.621 26.090 1.00 0.00 H ATOM 1190 HB2 LEU A 74 11.797 18.369 26.642 1.00 0.00 H ATOM 1191 HB3 LEU A 74 12.120 20.031 26.094 1.00 0.00 H ATOM 1192 HG LEU A 74 11.284 19.287 28.889 1.00 0.00 H ATOM 1193 HD21 LEU A 74 12.442 21.865 27.779 1.00 0.00 H ATOM 1194 HD22 LEU A 74 10.774 21.599 28.341 1.00 0.00 H ATOM 1195 HD23 LEU A 74 12.125 21.537 29.500 1.00 0.00 H ATOM 1196 HD11 LEU A 74 13.432 18.267 28.464 1.00 0.00 H ATOM 1197 HD12 LEU A 74 14.077 19.810 27.853 1.00 0.00 H ATOM 1198 HD13 LEU A 74 13.624 19.651 29.568 1.00 0.00 H ATOM 1199 H LEU A 74 9.679 18.676 28.378 1.00 0.00 H ATOM 1200 N ILE A 75 9.643 18.725 24.223 1.00 17.22 N ATOM 1201 CA ILE A 75 8.968 17.790 23.292 1.00 16.54 C ATOM 1202 C ILE A 75 7.479 17.616 23.645 1.00 16.69 C ATOM 1203 O ILE A 75 6.728 16.959 22.923 1.00 16.66 O ATOM 1204 CB ILE A 75 9.684 16.386 23.174 1.00 16.42 C ATOM 1205 CG1 ILE A 75 9.404 15.493 24.402 1.00 15.88 C ATOM 1206 CG2 ILE A 75 11.183 16.564 22.889 1.00 15.15 C ATOM 1207 CD1 ILE A 75 9.914 14.050 24.300 1.00 16.27 C ATOM 1208 HA ILE A 75 9.041 18.255 22.309 1.00 0.00 H ATOM 1209 HB ILE A 75 9.259 15.856 22.322 1.00 0.00 H ATOM 1210 HG12 ILE A 75 9.876 15.956 25.269 1.00 0.00 H ATOM 1211 HG13 ILE A 75 8.325 15.458 24.553 1.00 0.00 H ATOM 1212 HD11 ILE A 75 9.443 13.559 23.448 1.00 0.00 H ATOM 1213 HD12 ILE A 75 10.996 14.057 24.165 1.00 0.00 H ATOM 1214 HD13 ILE A 75 9.665 13.512 25.215 1.00 0.00 H ATOM 1215 HG21 ILE A 75 11.312 17.106 21.952 1.00 0.00 H ATOM 1216 HG22 ILE A 75 11.642 17.127 23.702 1.00 0.00 H ATOM 1217 HG23 ILE A 75 11.656 15.585 22.812 1.00 0.00 H ATOM 1218 H ILE A 75 10.198 19.522 23.851 1.00 0.00 H TER 1219 ILE A 75 HETATM 1220 O HOH 1 21.660 -12.423 45.398 1.00 21.50 O HETATM 1221 O HOH 2 24.262 -13.170 42.134 1.00 29.60 O HETATM 1222 O HOH 3 17.234 -15.992 42.331 1.00 24.37 O HETATM 1223 O HOH 4 25.542 9.799 35.933 1.00 27.17 O HETATM 1224 O HOH 5 20.150 -10.164 48.331 1.00 10.70 O HETATM 1225 O HOH 6 18.071 -12.437 46.243 1.00 10.49 O HETATM 1226 O HOH 7 25.227 7.109 34.653 1.00 22.84 O HETATM 1227 O HOH 8 27.176 6.739 30.546 1.00 17.22 O HETATM 1228 O HOH 9 26.803 10.903 33.794 1.00 26.90 O HETATM 1229 O HOH 10 23.201 -5.412 42.234 1.00 18.04 O HETATM 1230 O HOH 11 23.548 -5.756 39.565 1.00 24.79 O HETATM 1231 O HOH 12 27.355 1.903 37.366 1.00 32.19 O HETATM 1232 O HOH 13 17.514 -5.400 29.258 1.00 31.39 O HETATM 1233 O HOH 14 12.476 -3.632 29.288 1.00 28.89 O HETATM 1234 O HOH 15 15.233 -2.867 26.059 1.00 20.39 O HETATM 1235 O HOH 16 25.215 7.444 32.000 1.00 14.36 O HETATM 1236 O HOH 17 8.918 -2.601 55.020 1.00 31.56 O HETATM 1237 O HOH 18 17.615 16.041 27.982 1.00 21.95 O HETATM 1238 O HOH 19 22.361 8.795 23.809 1.00 37.08 O HETATM 1239 O HOH 20 14.659 16.281 22.324 1.00 29.08 O HETATM 1240 O HOH 21 13.354 13.619 21.918 1.00 23.33 O HETATM 1241 O HOH 22 11.476 5.644 21.580 1.00 26.78 O HETATM 1242 O HOH 23 9.367 2.768 27.468 1.00 19.24 O HETATM 1243 O HOH 24 7.774 2.567 33.749 1.00 11.55 O HETATM 1244 O HOH 25 3.796 4.460 29.824 1.00 28.33 O HETATM 1245 O HOH 26 8.676 0.041 29.922 1.00 38.42 O HETATM 1246 O HOH 27 7.189 -3.841 36.655 1.00 18.73 O HETATM 1247 O HOH 28 7.582 -9.188 47.833 1.00 25.04 O HETATM 1248 O HOH 29 16.895 -13.323 44.254 1.00 16.74 O HETATM 1249 O HOH 30 14.433 -5.269 49.120 1.00 7.97 O HETATM 1250 O HOH 31 10.736 -2.891 53.005 1.00 19.29 O HETATM 1251 O HOH 32 4.788 -5.339 52.828 1.00 27.74 O HETATM 1252 O HOH 33 10.291 -5.922 56.447 1.00 27.09 O HETATM 1253 O HOH 34 10.786 0.140 52.326 1.00 23.31 O HETATM 1254 O HOH 35 11.563 9.208 47.654 1.00 31.92 O HETATM 1255 O HOH 36 16.505 13.719 41.622 1.00 38.02 O HETATM 1256 O HOH 37 13.933 13.652 39.920 1.00 17.70 O HETATM 1257 O HOH 38 15.263 11.112 46.202 1.00 22.99 O HETATM 1258 O HOH 39 8.553 16.276 38.460 1.00 21.90 O HETATM 1259 O HOH 40 12.899 9.938 45.320 1.00 23.61 O HETATM 1260 O HOH 41 15.103 17.280 37.330 1.00 21.12 O HETATM 1261 O HOH 42 15.770 20.564 34.142 1.00 34.29 O HETATM 1262 O HOH 43 4.232 10.808 31.951 1.00 26.82 O HETATM 1263 O HOH 44 6.471 10.231 35.662 1.00 21.50 O HETATM 1264 O HOH 45 10.418 21.009 32.065 1.00 30.39 O HETATM 1265 O HOH 46 5.405 21.961 27.915 1.00 12.05 O HETATM 1266 O HOH 47 1.648 20.740 29.157 1.00 22.97 O HETATM 1267 O HOH 48 25.086 -3.847 51.118 1.00 19.69 O HETATM 1268 O HOH 49 24.877 -4.675 45.565 1.00 32.14 O HETATM 1269 O HOH 50 22.400 2.299 46.614 1.00 15.71 O HETATM 1270 O HOH 51 25.119 -3.435 43.238 1.00 35.43 O HETATM 1271 O HOH 52 21.238 3.086 44.131 1.00 18.97 O HETATM 1272 O HOH 53 21.086 5.915 43.573 1.00 18.68 O HETATM 1273 O HOH 54 24.817 9.611 40.206 1.00 17.77 O HETATM 1274 N ARG A 55 20.991 -3.529 53.259 1.00 0.24 N HETATM 1275 CA ARG A 55 21.633 -3.805 51.937 1.00 0.07 C HETATM 1276 C ARG A 55 21.587 -2.573 51.033 1.00 0.23 C HETATM 1277 O ARG A 55 20.633 -1.798 51.066 1.00 -0.39 O HETATM 1278 N ARG A 55 22.629 -2.415 50.224 1.00 -0.26 N HETATM 1279 CA ARG A 55 22.799 -1.244 49.384 1.00 0.13 C HETATM 1280 C ARG A 55 23.146 -1.677 47.967 1.00 0.20 C HETATM 1281 O ARG A 55 23.611 -2.799 47.746 1.00 -0.39 O HETATM 1282 N ARG A 55 22.906 -0.795 47.004 1.00 -0.26 N HETATM 1283 CA ARG A 55 23.327 -1.049 45.630 1.00 0.13 C HETATM 1284 C ARG A 55 24.728 -0.494 45.413 1.00 0.20 C HETATM 1285 O ARG A 55 24.989 0.677 45.686 1.00 -0.39 O HETATM 1286 N ARG A 55 25.630 -1.362 44.958 1.00 -0.26 N HETATM 1287 CA ARG A 55 27.042 -1.018 44.776 1.00 0.13 C HETATM 1288 C ARG A 55 27.509 -1.576 43.432 1.00 0.21 C HETATM 1289 O ARG A 55 27.680 -2.790 43.293 1.00 -0.39 O HETATM 1290 N ARG A 55 27.705 -0.697 42.429 1.00 -0.25 N HETATM 1291 CA ARG A 55 27.622 0.758 42.528 1.00 0.13 C HETATM 1292 C ARG A 55 26.189 1.305 42.542 1.00 0.20 C HETATM 1293 O ARG A 55 25.256 0.649 42.074 1.00 -0.39 O HETATM 1294 N ARG A 55 26.056 2.509 43.089 1.00 -0.26 N HETATM 1295 CA ARG A 55 24.823 3.285 43.133 1.00 0.13 C HETATM 1296 C ARG A 55 24.148 3.379 41.760 1.00 0.20 C HETATM 1297 O ARG A 55 24.829 3.441 40.728 1.00 -0.39 O HETATM 1298 N ARG A 55 22.815 3.383 41.747 1.00 -0.26 N HETATM 1299 CA ARG A 55 22.065 3.750 40.542 1.00 0.13 C HETATM 1300 C ARG A 55 22.260 5.249 40.298 1.00 0.21 C HETATM 1301 O ARG A 55 22.213 6.037 41.251 1.00 -0.39 O HETATM 1302 N ARG A 55 22.492 5.647 39.030 1.00 -0.25 N HETATM 1303 CA ARG A 55 22.749 7.059 38.743 1.00 0.13 C HETATM 1304 C ARG A 55 21.543 7.968 38.993 1.00 0.20 C HETATM 1305 O ARG A 55 20.399 7.603 38.693 1.00 -0.39 O HETATM 1306 N ARG A 55 21.813 9.136 39.564 1.00 -0.26 N HETATM 1307 CA ARG A 55 20.802 10.156 39.754 1.00 0.14 C HETATM 1308 C ARG A 55 20.610 10.875 38.428 1.00 0.21 C HETATM 1309 O ARG A 55 21.569 11.019 37.659 1.00 -0.39 O HETATM 1310 N ARG A 55 19.366 11.300 38.136 1.00 -0.25 N HETATM 1311 CA ARG A 55 19.119 12.125 36.955 1.00 0.13 C HETATM 1312 C ARG A 55 19.808 13.487 37.071 1.00 0.21 C HETATM 1313 O ARG A 55 20.071 13.943 38.192 1.00 -0.39 O HETATM 1314 N ARG A 55 20.116 14.126 35.923 1.00 -0.25 N HETATM 1315 CA ARG A 55 20.682 15.479 35.869 1.00 0.12 C HETATM 1316 C ARG A 55 20.033 16.448 36.849 1.00 0.12 C HETATM 1317 O ARG A 55 18.824 16.386 37.061 1.00 -0.37 O HETATM 1318 H90 ARG A 55 20.639 17.194 37.361 1.00 0.14 H HETATM 1319 CB ARG A 55 20.373 15.912 34.440 1.00 -0.01 C HETATM 1320 CG ARG A 55 20.470 14.649 33.663 1.00 -0.03 C HETATM 1321 CD ARG A 55 19.960 13.557 34.568 1.00 0.04 C HETATM 1322 H95 ARG A 55 18.904 13.332 34.356 1.00 0.05 H HETATM 1323 H96 ARG A 55 20.560 12.642 34.455 1.00 0.05 H HETATM 1324 H93 ARG A 55 21.515 14.454 33.382 1.00 0.03 H HETATM 1325 H94 ARG A 55 19.852 14.711 32.755 1.00 0.03 H HETATM 1326 H91 ARG A 55 21.109 16.649 34.085 1.00 0.03 H HETATM 1327 H92 ARG A 55 19.362 16.340 34.369 1.00 0.03 H HETATM 1328 H89 ARG A 55 21.766 15.451 36.053 1.00 0.08 H HETATM 1329 CB ARG A 55 17.594 12.290 36.955 1.00 -0.01 C HETATM 1330 CG ARG A 55 17.172 12.021 38.338 1.00 -0.03 C HETATM 1331 CD ARG A 55 18.123 11.010 38.871 1.00 0.04 C HETATM 1332 H87 ARG A 55 18.266 11.136 39.954 1.00 0.05 H HETATM 1333 H88 ARG A 55 17.771 9.989 38.664 1.00 0.05 H HETATM 1334 H85 ARG A 55 16.146 11.625 38.354 1.00 0.03 H HETATM 1335 H86 ARG A 55 17.219 12.942 38.937 1.00 0.03 H HETATM 1336 H83 ARG A 55 17.129 11.571 36.264 1.00 0.03 H HETATM 1337 H84 ARG A 55 17.318 13.313 36.660 1.00 0.03 H HETATM 1338 H82 ARG A 55 19.462 11.617 36.042 1.00 0.08 H HETATM 1339 CB ARG A 55 21.229 11.155 40.834 1.00 0.01 C HETATM 1340 CG ARG A 55 21.446 10.536 42.181 1.00 -0.00 C HETATM 1341 ND1 ARG A 55 20.415 10.043 42.950 1.00 -0.33 N HETATM 1342 CE1 ARG A 55 20.902 9.566 44.081 1.00 0.09 C HETATM 1343 NE2 ARG A 55 22.211 9.741 44.079 1.00 -0.28 N HETATM 1344 CD2 ARG A 55 22.578 10.340 42.899 1.00 0.03 C HETATM 1345 H79 ARG A 55 23.590 10.607 42.597 1.00 0.07 H HETATM 1346 H81 ARG A 55 22.852 9.472 44.839 1.00 0.24 H HETATM 1347 H80 ARG A 55 20.322 9.106 44.880 1.00 0.12 H HETATM 1348 H77 ARG A 55 20.445 11.921 40.927 1.00 0.04 H HETATM 1349 H78 ARG A 55 22.169 11.629 40.515 1.00 0.04 H HETATM 1350 H76 ARG A 55 19.857 9.682 40.058 1.00 0.08 H HETATM 1351 H75 ARG A 55 22.746 9.318 39.873 1.00 0.19 H HETATM 1352 CB ARG A 55 23.124 7.057 37.257 1.00 -0.01 C HETATM 1353 CG ARG A 55 22.520 5.825 36.703 1.00 -0.03 C HETATM 1354 CD ARG A 55 22.540 4.818 37.810 1.00 0.04 C HETATM 1355 H73 ARG A 55 21.666 4.152 37.752 1.00 0.05 H HETATM 1356 H74 ARG A 55 23.461 4.217 37.779 1.00 0.05 H HETATM 1357 H71 ARG A 55 23.108 5.463 35.847 1.00 0.03 H HETATM 1358 H72 ARG A 55 21.486 6.018 36.382 1.00 0.03 H HETATM 1359 H69 ARG A 55 24.217 7.038 37.136 1.00 0.03 H HETATM 1360 H70 ARG A 55 22.715 7.946 36.755 1.00 0.03 H HETATM 1361 H68 ARG A 55 23.590 7.419 39.354 1.00 0.08 H HETATM 1362 CB ARG A 55 20.571 3.425 40.680 1.00 -0.01 C HETATM 1363 CG ARG A 55 20.117 1.958 40.753 1.00 -0.04 C HETATM 1364 CD1 ARG A 55 18.651 1.851 41.147 1.00 -0.06 C HETATM 1365 H62 ARG A 55 18.359 0.791 41.190 1.00 0.02 H HETATM 1366 H63 ARG A 55 18.032 2.372 40.402 1.00 0.02 H HETATM 1367 H64 ARG A 55 18.502 2.312 42.134 1.00 0.02 H HETATM 1368 CD2 ARG A 55 20.369 1.208 39.447 1.00 -0.06 C HETATM 1369 H65 ARG A 55 21.431 1.293 39.174 1.00 0.02 H HETATM 1370 H66 ARG A 55 19.749 1.643 38.649 1.00 0.02 H HETATM 1371 H67 ARG A 55 20.108 0.147 39.577 1.00 0.02 H HETATM 1372 H61 ARG A 55 20.712 1.468 41.538 1.00 0.03 H HETATM 1373 H59 ARG A 55 20.065 3.873 39.812 1.00 0.03 H HETATM 1374 H60 ARG A 55 20.221 3.914 41.601 1.00 0.03 H HETATM 1375 H58 ARG A 55 22.467 3.188 39.686 1.00 0.08 H HETATM 1376 H57 ARG A 55 22.316 3.131 42.576 1.00 0.19 H HETATM 1377 CB ARG A 55 25.189 4.695 43.594 1.00 -0.00 C HETATM 1378 CG ARG A 55 24.224 5.371 44.537 1.00 0.00 C HETATM 1379 CD ARG A 55 24.720 6.753 44.974 1.00 0.04 C HETATM 1380 OE1 ARG A 55 24.702 7.030 46.189 1.00 -0.57 O HETATM 1381 OE2 ARG A 55 25.136 7.558 44.110 1.00 -0.57 O HETATM 1382 H55 ARG A 55 24.099 4.740 45.429 1.00 0.04 H HETATM 1383 H56 ARG A 55 23.254 5.486 44.031 1.00 0.04 H HETATM 1384 H53 ARG A 55 25.277 5.327 42.698 1.00 0.03 H HETATM 1385 H54 ARG A 55 26.164 4.638 44.099 1.00 0.03 H HETATM 1386 H52 ARG A 55 24.126 2.822 43.847 1.00 0.08 H HETATM 1387 H51 ARG A 55 26.869 2.916 43.505 1.00 0.19 H HETATM 1388 CB ARG A 55 28.357 1.231 41.271 1.00 -0.01 C HETATM 1389 CG ARG A 55 28.134 0.155 40.285 1.00 -0.03 C HETATM 1390 CD ARG A 55 28.023 -1.136 41.057 1.00 0.04 C HETATM 1391 H49 ARG A 55 27.219 -1.768 40.651 1.00 0.05 H HETATM 1392 H50 ARG A 55 28.973 -1.690 41.033 1.00 0.05 H HETATM 1393 H47 ARG A 55 28.980 0.104 39.584 1.00 0.03 H HETATM 1394 H48 ARG A 55 27.205 0.342 39.726 1.00 0.03 H HETATM 1395 H45 ARG A 55 29.431 1.357 41.473 1.00 0.03 H HETATM 1396 H46 ARG A 55 27.938 2.182 40.910 1.00 0.03 H HETATM 1397 H44 ARG A 55 28.138 1.103 43.436 1.00 0.08 H HETATM 1398 CB ARG A 55 27.900 -1.590 45.915 1.00 -0.01 C HETATM 1399 CG ARG A 55 27.479 -1.396 47.380 1.00 -0.04 C HETATM 1400 CD1 ARG A 55 28.122 -2.467 48.263 1.00 -0.06 C HETATM 1401 H38 ARG A 55 27.812 -2.316 49.307 1.00 0.02 H HETATM 1402 H39 ARG A 55 29.217 -2.393 48.191 1.00 0.02 H HETATM 1403 H40 ARG A 55 27.799 -3.463 47.925 1.00 0.02 H HETATM 1404 CD2 ARG A 55 27.825 0.000 47.902 1.00 -0.06 C HETATM 1405 H41 ARG A 55 27.356 0.759 47.258 1.00 0.02 H HETATM 1406 H42 ARG A 55 28.917 0.135 47.893 1.00 0.02 H HETATM 1407 H43 ARG A 55 27.451 0.110 48.930 1.00 0.02 H HETATM 1408 H37 ARG A 55 26.387 -1.515 47.435 1.00 0.03 H HETATM 1409 H35 ARG A 55 28.900 -1.143 45.812 1.00 0.03 H HETATM 1410 H36 ARG A 55 27.965 -2.675 45.747 1.00 0.03 H HETATM 1411 H34 ARG A 55 27.147 0.077 44.770 1.00 0.08 H HETATM 1412 H33 ARG A 55 25.330 -2.289 44.731 1.00 0.19 H HETATM 1413 CB ARG A 55 22.319 -0.475 44.632 1.00 -0.01 C HETATM 1414 CG ARG A 55 20.940 -1.145 44.674 1.00 -0.04 C HETATM 1415 CD1 ARG A 55 20.016 -0.595 43.609 1.00 -0.06 C HETATM 1416 H27 ARG A 55 19.041 -1.100 43.673 1.00 0.02 H HETATM 1417 H28 ARG A 55 20.455 -0.771 42.616 1.00 0.02 H HETATM 1418 H29 ARG A 55 19.880 0.485 43.764 1.00 0.02 H HETATM 1419 CD2 ARG A 55 21.092 -2.652 44.519 1.00 -0.06 C HETATM 1420 H30 ARG A 55 21.766 -3.035 45.300 1.00 0.02 H HETATM 1421 H31 ARG A 55 21.513 -2.878 43.528 1.00 0.02 H HETATM 1422 H32 ARG A 55 20.107 -3.132 44.617 1.00 0.02 H HETATM 1423 H26 ARG A 55 20.489 -0.940 45.656 1.00 0.03 H HETATM 1424 H24 ARG A 55 22.730 -0.596 43.619 1.00 0.03 H HETATM 1425 H25 ARG A 55 22.189 0.595 44.850 1.00 0.03 H HETATM 1426 H23 ARG A 55 23.366 -2.138 45.478 1.00 0.08 H HETATM 1427 H22 ARG A 55 22.430 0.056 47.224 1.00 0.19 H HETATM 1428 CB ARG A 55 23.923 -0.382 49.954 1.00 -0.00 C HETATM 1429 CG ARG A 55 23.655 1.104 49.934 1.00 0.00 C HETATM 1430 CD ARG A 55 24.648 1.876 50.785 1.00 0.04 C HETATM 1431 OE1 ARG A 55 24.654 1.690 52.019 1.00 -0.57 O HETATM 1432 OE2 ARG A 55 25.422 2.674 50.220 1.00 -0.57 O HETATM 1433 H20 ARG A 55 22.641 1.287 50.319 1.00 0.04 H HETATM 1434 H21 ARG A 55 23.723 1.463 48.896 1.00 0.04 H HETATM 1435 H18 ARG A 55 24.833 -0.573 49.366 1.00 0.03 H HETATM 1436 H19 ARG A 55 24.091 -0.685 50.998 1.00 0.03 H HETATM 1437 H17 ARG A 55 21.864 -0.664 49.369 1.00 0.08 H HETATM 1438 H16 ARG A 55 23.325 -3.133 50.193 1.00 0.19 H HETATM 1439 CB ARG A 55 20.987 -5.014 51.241 1.00 0.01 C HETATM 1440 CG ARG A 55 21.582 -5.336 49.865 1.00 -0.01 C HETATM 1441 CD ARG A 55 21.105 -6.677 49.324 1.00 0.06 C HETATM 1442 NE ARG A 55 21.716 -6.986 48.028 1.00 -0.27 N HETATM 1443 CZ ARG A 55 21.228 -6.604 46.850 1.00 0.29 C HETATM 1444 NH1 ARG A 55 20.116 -5.877 46.788 1.00 -0.28 N HETATM 1445 H12 ARG A 55 19.743 -5.584 45.874 1.00 0.26 H HETATM 1446 H13 ARG A 55 19.628 -5.607 47.654 1.00 0.26 H HETATM 1447 NH2 ARG A 55 21.855 -6.941 45.729 1.00 -0.28 N HETATM 1448 H14 ARG A 55 22.717 -7.504 45.770 1.00 0.26 H HETATM 1449 H15 ARG A 55 21.480 -6.639 44.818 1.00 0.26 H HETATM 1450 H11 ARG A 55 22.585 -7.538 48.029 1.00 0.26 H HETATM 1451 H9 ARG A 55 20.012 -6.645 49.204 1.00 0.07 H HETATM 1452 H10 ARG A 55 21.372 -7.467 50.042 1.00 0.07 H HETATM 1453 H7 ARG A 55 22.678 -5.360 49.951 1.00 0.03 H HETATM 1454 H8 ARG A 55 21.287 -4.546 49.159 1.00 0.03 H HETATM 1455 H5 ARG A 55 19.914 -4.807 51.114 1.00 0.03 H HETATM 1456 H6 ARG A 55 21.116 -5.894 51.888 1.00 0.03 H HETATM 1457 H4 ARG A 55 22.690 -4.048 52.122 1.00 0.11 H HETATM 1458 H1 ARG A 55 21.035 -4.356 53.833 1.00 0.20 H HETATM 1459 H2 ARG A 55 20.027 -3.270 53.117 1.00 0.20 H HETATM 1460 H3 ARG A 55 21.477 -2.775 53.718 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1274 1275 1458 1459 1460 CONECT 1275 1274 1276 1439 1457 CONECT 1276 1275 1277 1278 CONECT 1277 1276 CONECT 1278 1276 1279 1438 CONECT 1279 1278 1280 1428 1437 CONECT 1280 1279 1281 1282 CONECT 1281 1280 CONECT 1282 1280 1283 1427 CONECT 1283 1282 1284 1413 1426 CONECT 1284 1283 1285 1286 CONECT 1285 1284 CONECT 1286 1284 1287 1412 CONECT 1287 1286 1288 1398 1411 CONECT 1288 1287 1289 1290 CONECT 1289 1288 CONECT 1290 1288 1291 1390 CONECT 1291 1290 1292 1388 1397 CONECT 1292 1291 1293 1294 CONECT 1293 1292 CONECT 1294 1292 1295 1387 CONECT 1295 1294 1296 1377 1386 CONECT 1296 1295 1297 1298 CONECT 1297 1296 CONECT 1298 1296 1299 1376 CONECT 1299 1298 1300 1362 1375 CONECT 1300 1299 1301 1302 CONECT 1301 1300 CONECT 1302 1300 1303 1354 CONECT 1303 1302 1304 1352 1361 CONECT 1304 1303 1305 1306 CONECT 1305 1304 CONECT 1306 1304 1307 1351 CONECT 1307 1306 1308 1339 1350 CONECT 1308 1307 1309 1310 CONECT 1309 1308 CONECT 1310 1308 1311 1331 CONECT 1311 1310 1312 1329 1338 CONECT 1312 1311 1313 1314 CONECT 1313 1312 CONECT 1314 1312 1315 1321 CONECT 1315 1314 1316 1319 1328 CONECT 1316 1315 1317 1318 CONECT 1317 1316 CONECT 1318 1316 CONECT 1319 1315 1320 1326 1327 CONECT 1320 1319 1321 1324 1325 CONECT 1321 1314 1320 1322 1323 CONECT 1322 1321 CONECT 1323 1321 CONECT 1324 1320 CONECT 1325 1320 CONECT 1326 1319 CONECT 1327 1319 CONECT 1328 1315 CONECT 1329 1311 1330 1336 1337 CONECT 1330 1329 1331 1334 1335 CONECT 1331 1310 1330 1332 1333 CONECT 1332 1331 CONECT 1333 1331 CONECT 1334 1330 CONECT 1335 1330 CONECT 1336 1329 CONECT 1337 1329 CONECT 1338 1311 CONECT 1339 1307 1340 1348 1349 CONECT 1340 1339 1341 1344 CONECT 1341 1340 1342 CONECT 1342 1341 1343 1347 CONECT 1343 1342 1344 1346 CONECT 1344 1340 1343 1345 CONECT 1345 1344 CONECT 1346 1343 CONECT 1347 1342 CONECT 1348 1339 CONECT 1349 1339 CONECT 1350 1307 CONECT 1351 1306 CONECT 1352 1303 1353 1359 1360 CONECT 1353 1352 1354 1357 1358 CONECT 1354 1302 1353 1355 1356 CONECT 1355 1354 CONECT 1356 1354 CONECT 1357 1353 CONECT 1358 1353 CONECT 1359 1352 CONECT 1360 1352 CONECT 1361 1303 CONECT 1362 1299 1363 1373 1374 CONECT 1363 1362 1364 1368 1372 CONECT 1364 1363 1365 1366 1367 CONECT 1365 1364 CONECT 1366 1364 CONECT 1367 1364 CONECT 1368 1363 1369 1370 1371 CONECT 1369 1368 CONECT 1370 1368 CONECT 1371 1368 CONECT 1372 1363 CONECT 1373 1362 CONECT 1374 1362 CONECT 1375 1299 CONECT 1376 1298 CONECT 1377 1295 1378 1384 1385 CONECT 1378 1377 1379 1382 1383 CONECT 1379 1378 1380 1381 CONECT 1380 1379 CONECT 1381 1379 CONECT 1382 1378 CONECT 1383 1378 CONECT 1384 1377 CONECT 1385 1377 CONECT 1386 1295 CONECT 1387 1294 CONECT 1388 1291 1389 1395 1396 CONECT 1389 1388 1390 1393 1394 CONECT 1390 1290 1389 1391 1392 CONECT 1391 1390 CONECT 1392 1390 CONECT 1393 1389 CONECT 1394 1389 CONECT 1395 1388 CONECT 1396 1388 CONECT 1397 1291 CONECT 1398 1287 1399 1409 1410 CONECT 1399 1398 1400 1404 1408 CONECT 1400 1399 1401 1402 1403 CONECT 1401 1400 CONECT 1402 1400 CONECT 1403 1400 CONECT 1404 1399 1405 1406 1407 CONECT 1405 1404 CONECT 1406 1404 CONECT 1407 1404 CONECT 1408 1399 CONECT 1409 1398 CONECT 1410 1398 CONECT 1411 1287 CONECT 1412 1286 CONECT 1413 1283 1414 1424 1425 CONECT 1414 1413 1415 1419 1423 CONECT 1415 1414 1416 1417 1418 CONECT 1416 1415 CONECT 1417 1415 CONECT 1418 1415 CONECT 1419 1414 1420 1421 1422 CONECT 1420 1419 CONECT 1421 1419 CONECT 1422 1419 CONECT 1423 1414 CONECT 1424 1413 CONECT 1425 1413 CONECT 1426 1283 CONECT 1427 1282 CONECT 1428 1279 1429 1435 1436 CONECT 1429 1428 1430 1433 1434 CONECT 1430 1429 1431 1432 CONECT 1431 1430 CONECT 1432 1430 CONECT 1433 1429 CONECT 1434 1429 CONECT 1435 1428 CONECT 1436 1428 CONECT 1437 1279 CONECT 1438 1278 CONECT 1439 1275 1440 1455 1456 CONECT 1440 1439 1441 1453 1454 CONECT 1441 1440 1442 1451 1452 CONECT 1442 1441 1443 1450 CONECT 1443 1442 1444 1447 CONECT 1444 1443 1445 1446 CONECT 1445 1444 CONECT 1446 1444 CONECT 1447 1443 1448 1449 CONECT 1448 1447 CONECT 1449 1447 CONECT 1450 1442 CONECT 1451 1441 CONECT 1452 1441 CONECT 1453 1440 CONECT 1454 1440 CONECT 1455 1439 CONECT 1456 1439 CONECT 1457 1275 CONECT 1458 1274 CONECT 1459 1274 CONECT 1460 1274 MASTER 0 0 0 0 0 0 0 0 1459 1 191 6 END
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Entry Information
PDB ID
2w2u
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
MIT domain of Saci1372 (Vps4)
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=35uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Science Vol. 322: pp. 1710-1713
Ligand Properties
Formula
C
6
0
H
9
8
N
1
6
O
1
5
Molecular Weight
1283.520
Exact Mass
1282.740
No. of atoms
189
No. of bonds
193
Polar Surface Area
469.84
LOGP Value
2.12 (
Computed with XLOGP3
)
-0.87 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 43
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 5
Canonical SMILES
O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])CCC(=O)O)CC(C)C)CC(C)C)CCC(=O)O)CC(C)C)Cc1nc[nH]c1
InChI String
InChI=1S/C60H96N16O15/c1-33(2)26-41(69-51(83)39(17-19-48(78)79)67-50(82)38(61)13-7-21-65-60(62)63)53(85)71-43(28-35(5)6)57(89)74-23-9-14-45(74)54(86)68-40(18-20-49(80)81)52(84)70-42(27-34(3)4)56(88)75-24-10-15-46(75)55(87)72-44(29-36-30-64-32-66-36)58(90)76-25-11-16-47(76)59(91)73-22-8-12-37(73)31-77/h30-35,37-47H,7-29,61H2,1-6H3,(H,64,66)(H,67,82)(H,68,86)(H,69,83)(H,70,84)(H,71,85)(H,72,87)(H,78,79)(H,80,81)(H4,62,63,65)/p+2/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q4J924
Q877H3
Entrez Gene ID
NCBI Entrez Gene ID:
3472938
3472937
ASD
Information of known allosteric effects of PDB entries
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