Browse entries in the PDBbind-CN Database
HEADER 4ODE_COMPLEX COMPND 4ODE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 105 MET SER VAL PRO THR ASP GLY ALA VAL THR THR SER GLN SEQRES 2 A 105 ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG PRO LYS SEQRES 3 A 105 PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY ALA GLN SEQRES 4 A 105 LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE TYR LEU SEQRES 5 A 105 GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP GLU LYS SEQRES 6 A 105 GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU LEU GLY SEQRES 7 A 105 ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS GLU HIS SEQRES 8 A 105 ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU VAL VAL SEQRES 9 A 105 VAL HET UNN A 190 81 ATOM 1 N MET A 6 8.457 -27.025 3.635 1.00 22.18 N ATOM 2 CA MET A 6 8.930 -25.655 3.811 1.00 23.16 C ATOM 3 C MET A 6 8.287 -25.029 5.043 1.00 22.66 C ATOM 4 O MET A 6 7.327 -25.577 5.593 1.00 22.90 O ATOM 5 CB MET A 6 8.624 -24.817 2.562 1.00 24.41 C ATOM 6 CG MET A 6 7.135 -24.678 2.230 1.00 26.14 C ATOM 7 SD MET A 6 6.292 -23.395 3.189 1.00 21.96 S ATOM 8 CE MET A 6 4.593 -23.946 3.096 1.00 18.57 C ATOM 9 HN3 MET A 6 7.424 -27.021 3.515 1.00 0.00 H ATOM 10 HN2 MET A 6 8.708 -27.587 4.473 1.00 0.00 H ATOM 11 HN1 MET A 6 8.903 -27.439 2.792 1.00 0.00 H ATOM 12 N SER A 7 8.794 -23.872 5.460 1.00 20.51 N ATOM 13 CA SER A 7 8.197 -23.130 6.570 1.00 20.28 C ATOM 14 C SER A 7 7.969 -21.678 6.162 1.00 19.23 C ATOM 15 O SER A 7 8.628 -21.171 5.254 1.00 18.43 O ATOM 16 CB SER A 7 9.079 -23.196 7.822 1.00 20.96 C ATOM 17 OG SER A 7 9.169 -24.520 8.330 1.00 21.23 O ATOM 18 HG SER A 7 9.744 -24.525 9.136 1.00 0.00 H ATOM 19 H SER A 7 9.635 -23.486 4.985 1.00 0.00 H ATOM 20 N VAL A 8 7.030 -21.013 6.826 1.00 18.14 N ATOM 21 CA VAL A 8 6.742 -19.612 6.527 1.00 19.33 C ATOM 22 C VAL A 8 6.759 -18.757 7.804 1.00 19.70 C ATOM 23 O VAL A 8 5.715 -18.487 8.398 1.00 19.40 O ATOM 24 CB VAL A 8 5.410 -19.454 5.740 1.00 15.33 C ATOM 25 CG1 VAL A 8 5.578 -19.954 4.307 1.00 16.78 C ATOM 26 CG2 VAL A 8 4.267 -20.207 6.429 1.00 14.11 C ATOM 27 H VAL A 8 6.491 -21.498 7.571 1.00 0.00 H ATOM 28 N PRO A 9 7.962 -18.331 8.228 1.00 20.20 N ATOM 29 CA PRO A 9 8.150 -17.578 9.481 1.00 20.14 C ATOM 30 C PRO A 9 7.455 -16.209 9.477 1.00 20.15 C ATOM 31 O PRO A 9 7.108 -15.697 10.540 1.00 20.81 O ATOM 32 CB PRO A 9 9.673 -17.411 9.563 1.00 19.41 C ATOM 33 CG PRO A 9 10.144 -17.507 8.131 1.00 19.33 C ATOM 34 CD PRO A 9 9.230 -18.524 7.501 1.00 18.43 C ATOM 35 N THR A 10 7.273 -15.618 8.297 1.00 18.27 N ATOM 36 CA THR A 10 6.558 -14.348 8.157 1.00 19.96 C ATOM 37 C THR A 10 5.655 -14.408 6.924 1.00 20.47 C ATOM 38 O THR A 10 5.700 -15.381 6.170 1.00 20.03 O ATOM 39 CB THR A 10 7.522 -13.145 7.980 1.00 22.06 C ATOM 40 OG1 THR A 10 7.980 -13.090 6.624 1.00 21.70 O ATOM 41 CG2 THR A 10 8.724 -13.245 8.919 1.00 22.02 C ATOM 42 HG1 THR A 10 8.595 -12.321 6.515 1.00 0.00 H ATOM 43 H THR A 10 7.653 -16.076 7.444 1.00 0.00 H ATOM 44 N ASP A 11 4.863 -13.359 6.708 1.00 22.19 N ATOM 45 CA ASP A 11 3.963 -13.287 5.551 1.00 23.10 C ATOM 46 C ASP A 11 4.688 -13.015 4.241 1.00 20.36 C ATOM 47 O ASP A 11 4.060 -12.982 3.184 1.00 20.79 O ATOM 48 CB ASP A 11 2.911 -12.191 5.736 1.00 27.29 C ATOM 49 CG ASP A 11 1.985 -12.455 6.899 1.00 33.20 C ATOM 50 OD1 ASP A 11 1.926 -13.609 7.375 1.00 34.41 O ATOM 51 OD2 ASP A 11 1.309 -11.500 7.336 1.00 36.91 O ATOM 52 H ASP A 11 4.883 -12.566 7.381 1.00 0.00 H ATOM 53 N GLY A 12 5.998 -12.797 4.307 1.00 17.29 N ATOM 54 CA GLY A 12 6.771 -12.464 3.123 1.00 13.78 C ATOM 55 C GLY A 12 8.107 -13.179 3.080 1.00 11.89 C ATOM 56 O GLY A 12 9.105 -12.638 2.610 1.00 12.39 O ATOM 57 H GLY A 12 6.480 -12.866 5.226 1.00 0.00 H ATOM 58 N ALA A 13 8.126 -14.407 3.575 1.00 12.20 N ATOM 59 CA ALA A 13 9.354 -15.185 3.610 1.00 12.10 C ATOM 60 C ALA A 13 9.031 -16.664 3.582 1.00 12.85 C ATOM 61 O ALA A 13 8.007 -17.100 4.117 1.00 16.03 O ATOM 62 CB ALA A 13 10.155 -14.848 4.862 1.00 12.97 C ATOM 63 H ALA A 13 7.247 -14.822 3.945 1.00 0.00 H ATOM 64 N VAL A 14 9.898 -17.441 2.950 1.00 10.24 N ATOM 65 CA VAL A 14 9.755 -18.890 2.940 1.00 11.15 C ATOM 66 C VAL A 14 11.100 -19.544 3.243 1.00 12.10 C ATOM 67 O VAL A 14 12.132 -19.146 2.695 1.00 13.56 O ATOM 68 CB VAL A 14 9.184 -19.414 1.600 1.00 11.11 C ATOM 69 CG1 VAL A 14 7.746 -18.946 1.409 1.00 11.25 C ATOM 70 CG2 VAL A 14 10.044 -18.972 0.429 1.00 11.31 C ATOM 71 H VAL A 14 10.699 -17.006 2.449 1.00 0.00 H ATOM 72 N THR A 15 11.091 -20.532 4.134 1.00 12.70 N ATOM 73 CA THR A 15 12.321 -21.209 4.522 1.00 11.11 C ATOM 74 C THR A 15 12.263 -22.710 4.286 1.00 11.51 C ATOM 75 O THR A 15 11.191 -23.280 4.082 1.00 12.17 O ATOM 76 CB THR A 15 12.661 -20.970 6.002 1.00 13.16 C ATOM 77 OG1 THR A 15 11.583 -21.444 6.817 1.00 15.56 O ATOM 78 CG2 THR A 15 12.886 -19.481 6.262 1.00 12.82 C ATOM 79 HG1 THR A 15 11.800 -21.291 7.771 1.00 0.00 H ATOM 80 H THR A 15 10.190 -20.826 4.561 1.00 0.00 H ATOM 81 N THR A 16 13.430 -23.343 4.327 1.00 9.99 N ATOM 82 CA THR A 16 13.549 -24.774 4.077 1.00 10.13 C ATOM 83 C THR A 16 14.575 -25.416 5.013 1.00 11.12 C ATOM 84 O THR A 16 15.573 -24.792 5.373 1.00 11.00 O ATOM 85 CB THR A 16 13.972 -25.047 2.621 1.00 11.20 C ATOM 86 OG1 THR A 16 14.312 -26.428 2.473 1.00 11.69 O ATOM 87 CG2 THR A 16 15.186 -24.207 2.241 1.00 12.88 C ATOM 88 HG1 THR A 16 14.583 -26.601 1.537 1.00 0.00 H ATOM 89 H THR A 16 14.289 -22.799 4.545 1.00 0.00 H ATOM 90 N SER A 17 14.335 -26.669 5.390 1.00 11.83 N ATOM 91 CA SER A 17 15.267 -27.399 6.244 1.00 12.28 C ATOM 92 C SER A 17 16.486 -27.900 5.471 1.00 11.62 C ATOM 93 O SER A 17 17.437 -28.411 6.066 1.00 11.96 O ATOM 94 CB SER A 17 14.563 -28.571 6.933 1.00 15.40 C ATOM 95 OG SER A 17 13.986 -29.449 5.983 1.00 17.57 O ATOM 96 HG SER A 17 14.696 -29.808 5.393 1.00 0.00 H ATOM 97 H SER A 17 13.464 -27.139 5.069 1.00 0.00 H ATOM 98 N GLN A 18 16.461 -27.752 4.146 1.00 10.46 N ATOM 99 CA GLN A 18 17.575 -28.192 3.308 1.00 9.71 C ATOM 100 C GLN A 18 18.784 -27.267 3.408 1.00 10.73 C ATOM 101 O GLN A 18 19.893 -27.639 3.030 1.00 13.85 O ATOM 102 CB GLN A 18 17.142 -28.303 1.843 1.00 9.36 C ATOM 103 CG GLN A 18 16.177 -29.443 1.566 1.00 10.97 C ATOM 104 CD GLN A 18 15.949 -29.656 0.082 1.00 10.79 C ATOM 105 OE1 GLN A 18 16.844 -29.432 -0.731 1.00 10.97 O ATOM 106 NE2 GLN A 18 14.741 -30.082 -0.278 1.00 11.41 N ATOM 107 HE22 GLN A 18 14.015 -30.258 0.445 1.00 0.00 H ATOM 108 HE21 GLN A 18 14.523 -30.239 -1.283 1.00 0.00 H ATOM 109 H GLN A 18 15.631 -27.314 3.699 1.00 0.00 H ATOM 110 N ILE A 19 18.553 -26.059 3.905 1.00 8.60 N ATOM 111 CA ILE A 19 19.576 -25.024 3.986 1.00 11.21 C ATOM 112 C ILE A 19 19.657 -24.588 5.445 1.00 10.11 C ATOM 113 O ILE A 19 18.634 -24.549 6.124 1.00 9.97 O ATOM 114 CB ILE A 19 19.159 -23.804 3.123 1.00 8.41 C ATOM 115 CG1 ILE A 19 18.860 -24.224 1.681 1.00 10.82 C ATOM 116 CG2 ILE A 19 20.216 -22.720 3.144 1.00 8.21 C ATOM 117 CD1 ILE A 19 20.082 -24.599 0.893 1.00 10.31 C ATOM 118 H ILE A 19 17.598 -25.840 4.253 1.00 0.00 H ATOM 119 N PRO A 20 20.864 -24.277 5.949 1.00 10.87 N ATOM 120 CA PRO A 20 20.928 -23.812 7.343 1.00 10.86 C ATOM 121 C PRO A 20 20.060 -22.574 7.566 1.00 11.62 C ATOM 122 O PRO A 20 19.991 -21.700 6.699 1.00 10.48 O ATOM 123 CB PRO A 20 22.408 -23.459 7.526 1.00 10.40 C ATOM 124 CG PRO A 20 23.124 -24.338 6.562 1.00 10.60 C ATOM 125 CD PRO A 20 22.205 -24.442 5.360 1.00 10.59 C ATOM 126 N ALA A 21 19.401 -22.510 8.719 1.00 10.22 N ATOM 127 CA ALA A 21 18.509 -21.404 9.033 1.00 10.71 C ATOM 128 C ALA A 21 19.221 -20.063 8.900 1.00 10.73 C ATOM 129 O ALA A 21 18.689 -19.120 8.313 1.00 11.96 O ATOM 130 CB ALA A 21 17.934 -21.569 10.441 1.00 11.32 C ATOM 131 H ALA A 21 19.527 -23.272 9.416 1.00 0.00 H ATOM 132 N SER A 22 20.436 -19.983 9.429 1.00 9.13 N ATOM 133 CA SER A 22 21.174 -18.726 9.400 1.00 12.15 C ATOM 134 C SER A 22 21.491 -18.280 7.973 1.00 11.15 C ATOM 135 O SER A 22 21.524 -17.082 7.673 1.00 10.50 O ATOM 136 CB SER A 22 22.462 -18.838 10.210 1.00 12.77 C ATOM 137 OG SER A 22 23.152 -17.606 10.205 1.00 14.46 O ATOM 138 HG SER A 22 23.985 -17.693 10.734 1.00 0.00 H ATOM 139 H SER A 22 20.865 -20.823 9.867 1.00 0.00 H ATOM 140 N GLU A 23 21.724 -19.240 7.088 1.00 8.78 N ATOM 141 CA GLU A 23 22.036 -18.887 5.705 1.00 9.35 C ATOM 142 C GLU A 23 20.854 -18.179 5.053 1.00 9.87 C ATOM 143 O GLU A 23 21.018 -17.313 4.189 1.00 11.09 O ATOM 144 CB GLU A 23 22.444 -20.113 4.885 1.00 8.50 C ATOM 145 CG GLU A 23 22.795 -19.743 3.439 1.00 8.34 C ATOM 146 CD GLU A 23 23.374 -20.884 2.626 1.00 12.87 C ATOM 147 OE1 GLU A 23 23.626 -21.961 3.198 1.00 12.27 O ATOM 148 OE2 GLU A 23 23.570 -20.696 1.399 1.00 11.64 O ATOM 149 H GLU A 23 21.685 -20.238 7.377 1.00 0.00 H ATOM 150 N GLN A 24 19.653 -18.532 5.485 1.00 9.23 N ATOM 151 CA GLN A 24 18.461 -17.957 4.889 1.00 10.61 C ATOM 152 C GLN A 24 18.193 -16.545 5.413 1.00 10.43 C ATOM 153 O GLN A 24 17.282 -15.863 4.944 1.00 10.73 O ATOM 154 CB GLN A 24 17.278 -18.908 5.089 1.00 10.35 C ATOM 155 CG GLN A 24 17.596 -20.306 4.548 1.00 8.57 C ATOM 156 CD GLN A 24 16.529 -21.331 4.835 1.00 10.24 C ATOM 157 OE1 GLN A 24 15.433 -21.273 4.282 1.00 11.68 O ATOM 158 NE2 GLN A 24 16.843 -22.285 5.704 1.00 10.86 N ATOM 159 HE22 GLN A 24 17.783 -22.295 6.148 1.00 0.00 H ATOM 160 HE21 GLN A 24 16.149 -23.022 5.940 1.00 0.00 H ATOM 161 H GLN A 24 19.563 -19.225 6.255 1.00 0.00 H ATOM 162 N GLU A 25 19.015 -16.106 6.365 1.00 10.88 N ATOM 163 CA GLU A 25 18.950 -14.743 6.891 1.00 11.60 C ATOM 164 C GLU A 25 20.006 -13.841 6.256 1.00 11.52 C ATOM 165 O GLU A 25 20.106 -12.660 6.595 1.00 11.90 O ATOM 166 CB GLU A 25 19.120 -14.747 8.417 1.00 12.86 C ATOM 167 CG GLU A 25 18.118 -15.615 9.139 1.00 15.92 C ATOM 168 CD GLU A 25 16.709 -15.070 9.050 1.00 21.39 C ATOM 169 OE1 GLU A 25 16.556 -13.834 8.939 1.00 24.06 O ATOM 170 OE2 GLU A 25 15.756 -15.880 9.088 1.00 24.75 O ATOM 171 H GLU A 25 19.730 -16.757 6.748 1.00 0.00 H ATOM 172 N THR A 26 20.788 -14.404 5.335 1.00 10.41 N ATOM 173 CA THR A 26 21.828 -13.661 4.625 1.00 11.70 C ATOM 174 C THR A 26 21.260 -12.434 3.907 1.00 11.38 C ATOM 175 O THR A 26 20.295 -12.544 3.156 1.00 9.88 O ATOM 176 CB THR A 26 22.520 -14.554 3.569 1.00 11.78 C ATOM 177 OG1 THR A 26 23.104 -15.690 4.216 1.00 11.65 O ATOM 178 CG2 THR A 26 23.610 -13.776 2.827 1.00 11.44 C ATOM 179 HG1 THR A 26 22.395 -16.208 4.674 1.00 0.00 H ATOM 180 H THR A 26 20.653 -15.411 5.113 1.00 0.00 H ATOM 181 N LEU A 27 21.866 -11.271 4.146 1.00 11.58 N ATOM 182 CA LEU A 27 21.440 -10.017 3.532 1.00 11.99 C ATOM 183 C LEU A 27 22.062 -9.881 2.157 1.00 10.73 C ATOM 184 O LEU A 27 23.265 -10.044 1.999 1.00 10.03 O ATOM 185 CB LEU A 27 21.870 -8.827 4.368 1.00 15.85 C ATOM 186 CG LEU A 27 21.098 -8.658 5.659 1.00 18.97 C ATOM 187 CD1 LEU A 27 21.778 -7.616 6.525 1.00 20.46 C ATOM 188 CD2 LEU A 27 19.671 -8.240 5.300 1.00 20.28 C ATOM 189 H LEU A 27 22.677 -11.256 4.797 1.00 0.00 H ATOM 190 N VAL A 28 21.228 -9.560 1.174 1.00 9.66 N ATOM 191 CA VAL A 28 21.666 -9.536 -0.210 1.00 8.35 C ATOM 192 C VAL A 28 21.076 -8.352 -0.966 1.00 9.14 C ATOM 193 O VAL A 28 20.006 -7.858 -0.619 1.00 9.03 O ATOM 194 CB VAL A 28 21.295 -10.844 -0.952 1.00 11.01 C ATOM 195 CG1 VAL A 28 21.954 -12.058 -0.303 1.00 8.03 C ATOM 196 CG2 VAL A 28 19.777 -11.023 -0.996 1.00 11.73 C ATOM 197 H VAL A 28 20.241 -9.321 1.400 1.00 0.00 H ATOM 198 N ARG A 29 21.790 -7.900 -1.994 1.00 10.06 N ATOM 199 CA ARG A 29 21.295 -6.852 -2.877 1.00 11.50 C ATOM 200 C ARG A 29 21.195 -7.411 -4.284 1.00 10.04 C ATOM 201 O ARG A 29 22.212 -7.578 -4.959 1.00 10.07 O ATOM 202 CB ARG A 29 22.227 -5.639 -2.853 1.00 15.50 C ATOM 203 CG ARG A 29 22.361 -5.015 -1.473 1.00 21.40 C ATOM 204 CD ARG A 29 22.980 -3.628 -1.516 1.00 26.54 C ATOM 205 NE ARG A 29 22.873 -2.970 -0.214 1.00 32.15 N ATOM 206 CZ ARG A 29 23.879 -2.834 0.646 1.00 35.46 C ATOM 207 NH1 ARG A 29 25.086 -3.295 0.341 1.00 36.83 N ATOM 208 NH2 ARG A 29 23.683 -2.223 1.809 1.00 36.12 N ATOM 209 HE ARG A 29 21.947 -2.582 0.058 1.00 0.00 H ATOM 210 HH12 ARG A 29 25.870 -3.187 1.016 1.00 0.00 H ATOM 211 HH11 ARG A 29 25.248 -3.764 -0.573 1.00 0.00 H ATOM 212 HH22 ARG A 29 24.470 -2.117 2.480 1.00 0.00 H ATOM 213 HH21 ARG A 29 22.742 -1.850 2.048 1.00 0.00 H ATOM 214 H ARG A 29 22.730 -8.307 -2.173 1.00 0.00 H ATOM 215 N PRO A 30 19.969 -7.732 -4.720 1.00 10.29 N ATOM 216 CA PRO A 30 19.757 -8.287 -6.057 1.00 8.10 C ATOM 217 C PRO A 30 20.303 -7.370 -7.128 1.00 8.87 C ATOM 218 O PRO A 30 20.207 -6.145 -7.034 1.00 10.82 O ATOM 219 CB PRO A 30 18.235 -8.354 -6.171 1.00 10.17 C ATOM 220 CG PRO A 30 17.770 -8.522 -4.737 1.00 9.93 C ATOM 221 CD PRO A 30 18.720 -7.665 -3.943 1.00 9.95 C ATOM 222 N LYS A 31 20.888 -7.984 -8.147 1.00 8.59 N ATOM 223 CA LYS A 31 21.311 -7.266 -9.333 1.00 9.71 C ATOM 224 C LYS A 31 20.065 -6.906 -10.142 1.00 10.47 C ATOM 225 O LYS A 31 18.965 -7.320 -9.778 1.00 10.64 O ATOM 226 CB LYS A 31 22.304 -8.126 -10.102 1.00 10.81 C ATOM 227 CG LYS A 31 23.693 -8.027 -9.517 1.00 14.08 C ATOM 228 CD LYS A 31 24.594 -9.084 -10.104 1.00 18.74 C ATOM 229 CE LYS A 31 26.016 -8.886 -9.640 1.00 23.21 C ATOM 230 NZ LYS A 31 26.906 -9.924 -10.204 1.00 25.63 N ATOM 231 HZ1 LYS A 31 26.581 -10.863 -9.895 1.00 0.00 H ATOM 232 HZ2 LYS A 31 26.883 -9.872 -11.242 1.00 0.00 H ATOM 233 HZ3 LYS A 31 27.878 -9.765 -9.869 1.00 0.00 H ATOM 234 H LYS A 31 21.048 -9.010 -8.094 1.00 0.00 H ATOM 235 N PRO A 32 20.213 -6.106 -11.217 1.00 11.72 N ATOM 236 CA PRO A 32 19.012 -5.556 -11.864 1.00 11.29 C ATOM 237 C PRO A 32 17.916 -6.540 -12.301 1.00 8.90 C ATOM 238 O PRO A 32 16.750 -6.234 -12.057 1.00 9.10 O ATOM 239 CB PRO A 32 19.583 -4.794 -13.057 1.00 10.76 C ATOM 240 CG PRO A 32 20.903 -4.306 -12.542 1.00 8.95 C ATOM 241 CD PRO A 32 21.438 -5.442 -11.710 1.00 11.76 C ATOM 242 N LEU A 33 18.249 -7.671 -12.918 1.00 9.04 N ATOM 243 CA LEU A 33 17.197 -8.577 -13.385 1.00 9.61 C ATOM 244 C LEU A 33 16.449 -9.222 -12.226 1.00 9.25 C ATOM 245 O LEU A 33 15.222 -9.267 -12.218 1.00 9.13 O ATOM 246 CB LEU A 33 17.741 -9.655 -14.328 1.00 10.12 C ATOM 247 CG LEU A 33 16.701 -10.641 -14.877 1.00 11.04 C ATOM 248 CD1 LEU A 33 15.497 -9.928 -15.489 1.00 12.04 C ATOM 249 CD2 LEU A 33 17.329 -11.588 -15.897 1.00 12.85 C ATOM 250 H LEU A 33 19.250 -7.910 -13.068 1.00 0.00 H ATOM 251 N LEU A 34 17.190 -9.723 -11.248 1.00 10.07 N ATOM 252 CA LEU A 34 16.549 -10.322 -10.086 1.00 9.43 C ATOM 253 C LEU A 34 15.666 -9.285 -9.393 1.00 8.98 C ATOM 254 O LEU A 34 14.527 -9.569 -9.027 1.00 9.73 O ATOM 255 CB LEU A 34 17.599 -10.879 -9.123 1.00 8.19 C ATOM 256 CG LEU A 34 17.064 -11.469 -7.819 1.00 9.03 C ATOM 257 CD1 LEU A 34 15.997 -12.515 -8.093 1.00 9.50 C ATOM 258 CD2 LEU A 34 18.199 -12.066 -7.015 1.00 8.58 C ATOM 259 H LEU A 34 18.228 -9.688 -11.310 1.00 0.00 H ATOM 260 N LEU A 35 16.187 -8.074 -9.235 1.00 9.27 N ATOM 261 CA LEU A 35 15.448 -7.018 -8.555 1.00 9.46 C ATOM 262 C LEU A 35 14.151 -6.694 -9.283 1.00 10.08 C ATOM 263 O LEU A 35 13.107 -6.496 -8.657 1.00 10.99 O ATOM 264 CB LEU A 35 16.307 -5.764 -8.401 1.00 10.33 C ATOM 265 CG LEU A 35 15.749 -4.686 -7.473 1.00 13.22 C ATOM 266 CD1 LEU A 35 15.571 -5.237 -6.060 1.00 13.20 C ATOM 267 CD2 LEU A 35 16.657 -3.470 -7.461 1.00 14.46 C ATOM 268 H LEU A 35 17.139 -7.876 -9.603 1.00 0.00 H ATOM 269 N LYS A 36 14.214 -6.662 -10.612 1.00 11.01 N ATOM 270 CA LYS A 36 13.036 -6.384 -11.420 1.00 10.81 C ATOM 271 C LYS A 36 11.951 -7.425 -11.185 1.00 11.30 C ATOM 272 O LYS A 36 10.778 -7.084 -11.065 1.00 12.99 O ATOM 273 CB LYS A 36 13.403 -6.335 -12.910 1.00 10.00 C ATOM 274 CG LYS A 36 12.206 -6.196 -13.847 1.00 16.30 C ATOM 275 CD LYS A 36 11.996 -4.754 -14.281 1.00 20.26 C ATOM 276 H LYS A 36 15.124 -6.839 -11.083 1.00 0.00 H ATOM 277 N LEU A 37 12.342 -8.694 -11.108 1.00 9.74 N ATOM 278 CA LEU A 37 11.372 -9.764 -10.910 1.00 9.92 C ATOM 279 C LEU A 37 10.690 -9.621 -9.548 1.00 10.65 C ATOM 280 O LEU A 37 9.477 -9.785 -9.428 1.00 12.12 O ATOM 281 CB LEU A 37 12.038 -11.137 -11.023 1.00 11.09 C ATOM 282 CG LEU A 37 12.769 -11.459 -12.331 1.00 10.81 C ATOM 283 CD1 LEU A 37 13.174 -12.926 -12.356 1.00 10.88 C ATOM 284 CD2 LEU A 37 11.931 -11.115 -13.542 1.00 12.70 C ATOM 285 H LEU A 37 13.353 -8.926 -11.190 1.00 0.00 H ATOM 286 N LEU A 38 11.475 -9.287 -8.531 1.00 10.73 N ATOM 287 CA LEU A 38 10.939 -9.148 -7.181 1.00 11.79 C ATOM 288 C LEU A 38 9.947 -7.989 -7.103 1.00 12.10 C ATOM 289 O LEU A 38 8.884 -8.106 -6.495 1.00 11.13 O ATOM 290 CB LEU A 38 12.070 -8.971 -6.157 1.00 12.76 C ATOM 291 CG LEU A 38 13.168 -10.045 -6.154 1.00 13.02 C ATOM 292 CD1 LEU A 38 14.118 -9.857 -4.983 1.00 14.50 C ATOM 293 CD2 LEU A 38 12.595 -11.452 -6.153 1.00 12.71 C ATOM 294 H LEU A 38 12.488 -9.122 -8.699 1.00 0.00 H ATOM 295 N LYS A 39 10.285 -6.872 -7.731 1.00 13.44 N ATOM 296 CA LYS A 39 9.412 -5.707 -7.675 1.00 14.76 C ATOM 297 C LYS A 39 8.129 -5.896 -8.479 1.00 15.94 C ATOM 298 O LYS A 39 7.114 -5.262 -8.194 1.00 17.04 O ATOM 299 CB LYS A 39 10.161 -4.454 -8.121 1.00 17.67 C ATOM 300 CG LYS A 39 11.338 -4.129 -7.221 1.00 19.24 C ATOM 301 CD LYS A 39 11.792 -2.696 -7.377 1.00 22.52 C ATOM 302 CE LYS A 39 12.816 -2.338 -6.311 1.00 24.96 C ATOM 303 NZ LYS A 39 13.300 -0.940 -6.480 1.00 27.02 N ATOM 304 HZ1 LYS A 39 13.743 -0.839 -7.415 1.00 0.00 H ATOM 305 HZ2 LYS A 39 12.496 -0.285 -6.403 1.00 0.00 H ATOM 306 HZ3 LYS A 39 13.997 -0.724 -5.739 1.00 0.00 H ATOM 307 H LYS A 39 11.176 -6.827 -8.265 1.00 0.00 H ATOM 308 N SER A 40 8.174 -6.778 -9.473 1.00 14.17 N ATOM 309 CA SER A 40 7.002 -7.057 -10.295 1.00 16.42 C ATOM 310 C SER A 40 5.903 -7.747 -9.494 1.00 16.47 C ATOM 311 O SER A 40 4.739 -7.716 -9.884 1.00 18.28 O ATOM 312 CB SER A 40 7.378 -7.917 -11.503 1.00 18.46 C ATOM 313 OG SER A 40 7.535 -9.275 -11.129 1.00 19.01 O ATOM 314 HG SER A 40 8.252 -9.348 -10.450 1.00 0.00 H ATOM 315 H SER A 40 9.064 -7.280 -9.668 1.00 0.00 H ATOM 316 N VAL A 41 6.268 -8.384 -8.387 1.00 15.58 N ATOM 317 CA VAL A 41 5.262 -8.978 -7.509 1.00 16.96 C ATOM 318 C VAL A 41 5.168 -8.254 -6.173 1.00 19.05 C ATOM 319 O VAL A 41 4.764 -8.836 -5.170 1.00 20.65 O ATOM 320 CB VAL A 41 5.489 -10.487 -7.291 1.00 16.06 C ATOM 321 CG1 VAL A 41 5.180 -11.247 -8.571 1.00 17.50 C ATOM 322 CG2 VAL A 41 6.909 -10.749 -6.839 1.00 14.02 C ATOM 323 H VAL A 41 7.276 -8.461 -8.144 1.00 0.00 H ATOM 324 N GLY A 42 5.555 -6.984 -6.160 1.00 20.96 N ATOM 325 CA GLY A 42 5.268 -6.133 -5.020 1.00 22.98 C ATOM 326 C GLY A 42 6.383 -5.812 -4.045 1.00 23.22 C ATOM 327 O GLY A 42 6.152 -5.089 -3.075 1.00 25.21 O ATOM 328 H GLY A 42 6.069 -6.595 -6.976 1.00 0.00 H ATOM 329 N ALA A 43 7.581 -6.342 -4.270 1.00 20.73 N ATOM 330 CA ALA A 43 8.701 -6.001 -3.400 1.00 20.75 C ATOM 331 C ALA A 43 9.026 -4.516 -3.550 1.00 23.10 C ATOM 332 O ALA A 43 8.934 -3.961 -4.646 1.00 23.54 O ATOM 333 CB ALA A 43 9.910 -6.861 -3.711 1.00 20.70 C ATOM 334 H ALA A 43 7.720 -6.998 -5.065 1.00 0.00 H ATOM 335 N GLN A 44 9.390 -3.866 -2.450 1.00 25.58 N ATOM 336 CA GLN A 44 9.566 -2.419 -2.470 1.00 28.29 C ATOM 337 C GLN A 44 10.934 -1.948 -1.980 1.00 30.99 C ATOM 338 O GLN A 44 11.092 -0.780 -1.620 1.00 34.19 O ATOM 339 CB GLN A 44 8.453 -1.740 -1.661 1.00 27.78 C ATOM 340 H GLN A 44 9.551 -4.393 -1.568 1.00 0.00 H ATOM 341 N LYS A 45 11.922 -2.837 -1.964 1.00 29.14 N ATOM 342 CA LYS A 45 13.248 -2.447 -1.489 1.00 28.05 C ATOM 343 C LYS A 45 14.402 -2.990 -2.326 1.00 25.25 C ATOM 344 O LYS A 45 14.187 -3.704 -3.303 1.00 25.71 O ATOM 345 CB LYS A 45 13.432 -2.831 -0.024 1.00 30.46 C ATOM 346 CG LYS A 45 12.941 -4.216 0.325 1.00 32.51 C ATOM 347 CD LYS A 45 12.999 -4.434 1.834 1.00 35.21 C ATOM 348 CE LYS A 45 11.921 -5.397 2.295 1.00 36.91 C ATOM 349 NZ LYS A 45 12.301 -6.064 3.567 1.00 38.21 N ATOM 350 HZ1 LYS A 45 13.183 -6.596 3.428 1.00 0.00 H ATOM 351 HZ2 LYS A 45 12.441 -5.345 4.305 1.00 0.00 H ATOM 352 HZ3 LYS A 45 11.543 -6.716 3.855 1.00 0.00 H ATOM 353 H LYS A 45 11.752 -3.810 -2.289 1.00 0.00 H ATOM 354 N ASP A 46 15.623 -2.639 -1.932 1.00 23.27 N ATOM 355 CA ASP A 46 16.818 -3.021 -2.674 1.00 21.62 C ATOM 356 C ASP A 46 17.665 -4.051 -1.935 1.00 18.74 C ATOM 357 O ASP A 46 18.524 -4.697 -2.536 1.00 17.98 O ATOM 358 CB ASP A 46 17.658 -1.785 -2.986 1.00 25.72 C ATOM 359 CG ASP A 46 17.012 -0.889 -4.024 1.00 30.84 C ATOM 360 OD1 ASP A 46 15.848 -1.146 -4.393 1.00 31.82 O ATOM 361 OD2 ASP A 46 17.668 0.074 -4.471 1.00 34.02 O ATOM 362 H ASP A 46 15.729 -2.073 -1.066 1.00 0.00 H ATOM 363 N THR A 47 17.428 -4.194 -0.632 1.00 16.22 N ATOM 364 CA THR A 47 18.143 -5.182 0.174 1.00 15.59 C ATOM 365 C THR A 47 17.152 -6.137 0.846 1.00 14.67 C ATOM 366 O THR A 47 16.133 -5.703 1.375 1.00 14.56 O ATOM 367 CB THR A 47 19.019 -4.503 1.238 1.00 17.84 C ATOM 368 OG1 THR A 47 19.942 -3.616 0.593 1.00 20.67 O ATOM 369 CG2 THR A 47 19.794 -5.542 2.051 1.00 18.50 C ATOM 370 HG1 THR A 47 20.508 -3.177 1.276 1.00 0.00 H ATOM 371 H THR A 47 16.716 -3.587 -0.177 1.00 0.00 H ATOM 372 N TYR A 48 17.447 -7.435 0.802 1.00 13.04 N ATOM 373 CA TYR A 48 16.535 -8.465 1.301 1.00 12.86 C ATOM 374 C TYR A 48 17.312 -9.529 2.053 1.00 11.14 C ATOM 375 O TYR A 48 18.506 -9.690 1.830 1.00 11.92 O ATOM 376 CB TYR A 48 15.842 -9.166 0.128 1.00 14.66 C ATOM 377 CG TYR A 48 15.044 -8.260 -0.764 1.00 16.77 C ATOM 378 CD1 TYR A 48 13.677 -8.123 -0.590 1.00 20.51 C ATOM 379 CD2 TYR A 48 15.653 -7.551 -1.791 1.00 18.32 C ATOM 380 CE1 TYR A 48 12.933 -7.299 -1.408 1.00 21.48 C ATOM 381 CE2 TYR A 48 14.921 -6.722 -2.613 1.00 19.05 C ATOM 382 CZ TYR A 48 13.561 -6.599 -2.416 1.00 21.75 C ATOM 383 OH TYR A 48 12.822 -5.773 -3.230 1.00 23.46 O ATOM 384 HH TYR A 48 13.161 -4.846 -3.153 1.00 0.00 H ATOM 385 H TYR A 48 18.360 -7.728 0.398 1.00 0.00 H ATOM 386 N THR A 49 16.637 -10.272 2.929 1.00 10.78 N ATOM 387 CA THR A 49 17.197 -11.534 3.396 1.00 9.72 C ATOM 388 C THR A 49 16.879 -12.580 2.328 1.00 8.25 C ATOM 389 O THR A 49 15.915 -12.425 1.580 1.00 8.75 O ATOM 390 CB THR A 49 16.618 -11.964 4.761 1.00 10.75 C ATOM 391 OG1 THR A 49 15.197 -12.080 4.658 1.00 9.60 O ATOM 392 CG2 THR A 49 16.960 -10.940 5.832 1.00 13.34 C ATOM 393 HG1 THR A 49 14.814 -11.206 4.396 1.00 0.00 H ATOM 394 H THR A 49 15.712 -9.952 3.279 1.00 0.00 H ATOM 395 N MET A 50 17.690 -13.630 2.236 1.00 8.08 N ATOM 396 CA MET A 50 17.445 -14.683 1.250 1.00 7.89 C ATOM 397 C MET A 50 16.046 -15.298 1.348 1.00 8.09 C ATOM 398 O MET A 50 15.428 -15.605 0.331 1.00 8.07 O ATOM 399 CB MET A 50 18.518 -15.773 1.322 1.00 7.81 C ATOM 400 CG MET A 50 19.852 -15.376 0.694 1.00 7.78 C ATOM 401 SD MET A 50 19.729 -15.119 -1.098 1.00 9.57 S ATOM 402 CE MET A 50 19.439 -16.784 -1.679 1.00 11.86 C ATOM 403 H MET A 50 18.509 -13.704 2.873 1.00 0.00 H ATOM 404 N LYS A 51 15.530 -15.460 2.565 1.00 8.10 N ATOM 405 CA LYS A 51 14.212 -16.065 2.716 1.00 8.23 C ATOM 406 C LYS A 51 13.113 -15.184 2.107 1.00 9.35 C ATOM 407 O LYS A 51 12.075 -15.686 1.675 1.00 9.88 O ATOM 408 CB LYS A 51 13.916 -16.394 4.183 1.00 8.40 C ATOM 409 CG LYS A 51 13.814 -15.188 5.080 1.00 9.87 C ATOM 410 CD LYS A 51 13.552 -15.633 6.519 1.00 11.80 C ATOM 411 CE LYS A 51 13.085 -14.469 7.371 1.00 17.33 C ATOM 412 NZ LYS A 51 14.109 -13.390 7.426 1.00 20.99 N ATOM 413 HZ1 LYS A 51 14.987 -13.768 7.836 1.00 0.00 H ATOM 414 HZ2 LYS A 51 14.296 -13.041 6.464 1.00 0.00 H ATOM 415 HZ3 LYS A 51 13.757 -12.610 8.017 1.00 0.00 H ATOM 416 H LYS A 51 16.065 -15.156 3.404 1.00 0.00 H ATOM 417 N GLU A 52 13.348 -13.876 2.065 1.00 8.92 N ATOM 418 CA GLU A 52 12.425 -12.958 1.404 1.00 8.72 C ATOM 419 C GLU A 52 12.545 -13.081 -0.108 1.00 9.07 C ATOM 420 O GLU A 52 11.541 -13.076 -0.817 1.00 8.88 O ATOM 421 CB GLU A 52 12.709 -11.514 1.805 1.00 15.84 C ATOM 422 CG GLU A 52 12.441 -11.194 3.267 1.00 19.79 C ATOM 423 CD GLU A 52 12.799 -9.764 3.596 1.00 24.52 C ATOM 424 OE1 GLU A 52 14.008 -9.455 3.681 1.00 25.37 O ATOM 425 OE2 GLU A 52 11.871 -8.943 3.749 1.00 26.87 O ATOM 426 H GLU A 52 14.208 -13.499 2.513 1.00 0.00 H ATOM 427 N VAL A 53 13.780 -13.166 -0.596 1.00 8.31 N ATOM 428 CA VAL A 53 14.019 -13.355 -2.023 1.00 8.21 C ATOM 429 C VAL A 53 13.294 -14.596 -2.519 1.00 8.28 C ATOM 430 O VAL A 53 12.632 -14.560 -3.550 1.00 8.74 O ATOM 431 CB VAL A 53 15.516 -13.463 -2.362 1.00 7.97 C ATOM 432 CG1 VAL A 53 15.698 -13.723 -3.862 1.00 8.72 C ATOM 433 CG2 VAL A 53 16.239 -12.189 -1.955 1.00 8.58 C ATOM 434 H VAL A 53 14.590 -13.096 0.052 1.00 0.00 H ATOM 435 N LEU A 54 13.411 -15.691 -1.774 1.00 8.20 N ATOM 436 CA LEU A 54 12.739 -16.930 -2.149 1.00 8.33 C ATOM 437 C LEU A 54 11.215 -16.785 -2.164 1.00 10.34 C ATOM 438 O LEU A 54 10.554 -17.326 -3.048 1.00 10.18 O ATOM 439 CB LEU A 54 13.160 -18.087 -1.230 1.00 8.23 C ATOM 440 CG LEU A 54 14.414 -18.878 -1.627 1.00 11.53 C ATOM 441 CD1 LEU A 54 14.201 -19.645 -2.932 1.00 8.20 C ATOM 442 CD2 LEU A 54 15.635 -17.980 -1.749 1.00 10.58 C ATOM 443 H LEU A 54 13.990 -15.664 -0.911 1.00 0.00 H ATOM 444 N PHE A 55 10.656 -16.069 -1.186 1.00 8.83 N ATOM 445 CA PHE A 55 9.217 -15.809 -1.189 1.00 9.55 C ATOM 446 C PHE A 55 8.791 -15.087 -2.460 1.00 9.49 C ATOM 447 O PHE A 55 7.883 -15.530 -3.168 1.00 9.85 O ATOM 448 CB PHE A 55 8.785 -14.983 0.029 1.00 10.77 C ATOM 449 CG PHE A 55 7.368 -14.483 -0.060 1.00 11.25 C ATOM 450 CD1 PHE A 55 6.304 -15.330 0.194 1.00 12.28 C ATOM 451 CD2 PHE A 55 7.099 -13.170 -0.414 1.00 11.42 C ATOM 452 CE1 PHE A 55 4.997 -14.874 0.104 1.00 12.64 C ATOM 453 CE2 PHE A 55 5.801 -12.712 -0.504 1.00 12.07 C ATOM 454 CZ PHE A 55 4.749 -13.564 -0.243 1.00 12.31 C ATOM 455 H PHE A 55 11.247 -15.694 -0.417 1.00 0.00 H ATOM 456 N TYR A 56 9.448 -13.970 -2.745 1.00 9.35 N ATOM 457 CA TYR A 56 9.072 -13.152 -3.890 1.00 11.28 C ATOM 458 C TYR A 56 9.295 -13.869 -5.220 1.00 10.64 C ATOM 459 O TYR A 56 8.503 -13.715 -6.145 1.00 12.07 O ATOM 460 CB TYR A 56 9.791 -11.801 -3.862 1.00 12.45 C ATOM 461 CG TYR A 56 9.189 -10.819 -2.881 1.00 15.74 C ATOM 462 CD1 TYR A 56 7.861 -10.424 -2.996 1.00 17.67 C ATOM 463 CD2 TYR A 56 9.947 -10.285 -1.843 1.00 17.84 C ATOM 464 CE1 TYR A 56 7.304 -9.533 -2.108 1.00 20.04 C ATOM 465 CE2 TYR A 56 9.396 -9.387 -0.950 1.00 19.82 C ATOM 466 CZ TYR A 56 8.074 -9.017 -1.089 1.00 22.14 C ATOM 467 OH TYR A 56 7.514 -8.124 -0.208 1.00 25.11 O ATOM 468 HH TYR A 56 8.008 -7.267 -0.249 1.00 0.00 H ATOM 469 H TYR A 56 10.242 -13.674 -2.142 1.00 0.00 H ATOM 470 N LEU A 57 10.361 -14.659 -5.318 1.00 11.36 N ATOM 471 CA LEU A 57 10.632 -15.425 -6.533 1.00 11.52 C ATOM 472 C LEU A 57 9.578 -16.505 -6.724 1.00 11.87 C ATOM 473 O LEU A 57 9.174 -16.811 -7.848 1.00 10.00 O ATOM 474 CB LEU A 57 12.025 -16.056 -6.485 1.00 11.65 C ATOM 475 CG LEU A 57 13.195 -15.166 -6.901 1.00 11.23 C ATOM 476 CD1 LEU A 57 14.508 -15.913 -6.760 1.00 11.91 C ATOM 477 CD2 LEU A 57 13.011 -14.685 -8.334 1.00 11.37 C ATOM 478 H LEU A 57 11.015 -14.733 -4.513 1.00 0.00 H ATOM 479 N GLY A 58 9.136 -17.089 -5.614 1.00 11.19 N ATOM 480 CA GLY A 58 8.056 -18.058 -5.657 1.00 11.52 C ATOM 481 C GLY A 58 6.779 -17.398 -6.151 1.00 10.67 C ATOM 482 O GLY A 58 6.035 -17.968 -6.954 1.00 11.17 O ATOM 483 H GLY A 58 9.571 -16.848 -4.701 1.00 0.00 H ATOM 484 N GLN A 59 6.528 -16.182 -5.676 1.00 10.68 N ATOM 485 CA GLN A 59 5.371 -15.410 -6.125 1.00 11.29 C ATOM 486 C GLN A 59 5.465 -15.096 -7.608 1.00 11.50 C ATOM 487 O GLN A 59 4.470 -15.146 -8.334 1.00 12.15 O ATOM 488 CB GLN A 59 5.252 -14.112 -5.330 1.00 11.27 C ATOM 489 CG GLN A 59 4.862 -14.337 -3.882 1.00 11.28 C ATOM 490 CD GLN A 59 3.597 -15.159 -3.752 1.00 13.61 C ATOM 491 OE1 GLN A 59 3.627 -16.305 -3.297 1.00 15.39 O ATOM 492 NE2 GLN A 59 2.477 -14.578 -4.146 1.00 12.54 N ATOM 493 HE22 GLN A 59 2.499 -13.609 -4.524 1.00 0.00 H ATOM 494 HE21 GLN A 59 1.574 -15.090 -4.078 1.00 0.00 H ATOM 495 H GLN A 59 7.170 -15.771 -4.969 1.00 0.00 H ATOM 496 N TYR A 60 6.667 -14.766 -8.055 1.00 11.03 N ATOM 497 CA TYR A 60 6.886 -14.507 -9.470 1.00 11.22 C ATOM 498 C TYR A 60 6.597 -15.758 -10.301 1.00 11.57 C ATOM 499 O TYR A 60 5.898 -15.698 -11.310 1.00 12.17 O ATOM 500 CB TYR A 60 8.314 -14.026 -9.706 1.00 10.65 C ATOM 501 CG TYR A 60 8.632 -13.863 -11.170 1.00 11.49 C ATOM 502 CD1 TYR A 60 8.299 -12.699 -11.840 1.00 12.59 C ATOM 503 CD2 TYR A 60 9.244 -14.885 -11.885 1.00 11.81 C ATOM 504 CE1 TYR A 60 8.573 -12.552 -13.181 1.00 14.96 C ATOM 505 CE2 TYR A 60 9.521 -14.748 -13.236 1.00 13.20 C ATOM 506 CZ TYR A 60 9.185 -13.579 -13.876 1.00 15.33 C ATOM 507 OH TYR A 60 9.456 -13.423 -15.219 1.00 15.76 O ATOM 508 HH TYR A 60 8.981 -14.122 -15.734 1.00 0.00 H ATOM 509 H TYR A 60 7.462 -14.691 -7.389 1.00 0.00 H ATOM 510 N ILE A 61 7.143 -16.890 -9.867 1.00 14.20 N ATOM 511 CA ILE A 61 6.950 -18.157 -10.567 1.00 11.64 C ATOM 512 C ILE A 61 5.469 -18.494 -10.701 1.00 12.41 C ATOM 513 O ILE A 61 5.001 -18.885 -11.774 1.00 13.02 O ATOM 514 CB ILE A 61 7.697 -19.302 -9.851 1.00 11.23 C ATOM 515 CG1 ILE A 61 9.203 -19.169 -10.076 1.00 10.69 C ATOM 516 CG2 ILE A 61 7.202 -20.664 -10.322 1.00 11.76 C ATOM 517 CD1 ILE A 61 10.039 -20.124 -9.232 1.00 10.30 C ATOM 518 H ILE A 61 7.724 -16.873 -9.005 1.00 0.00 H ATOM 519 N MET A 62 4.721 -18.323 -9.618 1.00 12.46 N ATOM 520 CA MET A 62 3.309 -18.672 -9.647 1.00 13.35 C ATOM 521 C MET A 62 2.487 -17.664 -10.452 1.00 13.88 C ATOM 522 O MET A 62 1.539 -18.041 -11.135 1.00 15.44 O ATOM 523 CB MET A 62 2.762 -18.885 -8.230 1.00 13.94 C ATOM 524 CG MET A 62 3.242 -20.210 -7.616 1.00 12.88 C ATOM 525 SD MET A 62 2.805 -20.451 -5.898 1.00 21.97 S ATOM 526 CE MET A 62 3.499 -18.969 -5.170 1.00 23.42 C ATOM 527 H MET A 62 5.144 -17.940 -8.749 1.00 0.00 H ATOM 528 N THR A 63 2.868 -16.391 -10.390 1.00 13.57 N ATOM 529 CA THR A 63 2.170 -15.345 -11.132 1.00 15.75 C ATOM 530 C THR A 63 2.361 -15.524 -12.639 1.00 16.02 C ATOM 531 O THR A 63 1.432 -15.311 -13.422 1.00 15.38 O ATOM 532 CB THR A 63 2.635 -13.936 -10.697 1.00 17.69 C ATOM 533 OG1 THR A 63 2.440 -13.783 -9.282 1.00 19.95 O ATOM 534 CG2 THR A 63 1.852 -12.858 -11.421 1.00 18.73 C ATOM 535 HG1 THR A 63 2.968 -14.469 -8.801 1.00 0.00 H ATOM 536 H THR A 63 3.684 -16.134 -9.798 1.00 0.00 H ATOM 537 N LYS A 64 3.560 -15.937 -13.036 1.00 14.66 N ATOM 538 CA LYS A 64 3.876 -16.159 -14.446 1.00 15.66 C ATOM 539 C LYS A 64 3.450 -17.524 -14.949 1.00 15.88 C ATOM 540 O LYS A 64 3.701 -17.854 -16.107 1.00 15.23 O ATOM 541 CB LYS A 64 5.373 -16.007 -14.693 1.00 17.60 C ATOM 542 CG LYS A 64 5.902 -14.635 -14.373 1.00 21.37 C ATOM 543 CD LYS A 64 5.227 -13.571 -15.213 1.00 26.42 C ATOM 544 CE LYS A 64 5.807 -13.528 -16.607 1.00 29.34 C ATOM 545 NZ LYS A 64 5.246 -12.378 -17.368 1.00 33.32 N ATOM 546 HZ1 LYS A 64 4.213 -12.478 -17.434 1.00 0.00 H ATOM 547 HZ2 LYS A 64 5.479 -11.492 -16.876 1.00 0.00 H ATOM 548 HZ3 LYS A 64 5.655 -12.364 -18.324 1.00 0.00 H ATOM 549 H LYS A 64 4.296 -16.108 -12.322 1.00 0.00 H ATOM 550 N ARG A 65 2.826 -18.315 -14.083 1.00 15.46 N ATOM 551 CA ARG A 65 2.335 -19.643 -14.451 1.00 19.75 C ATOM 552 C ARG A 65 3.455 -20.578 -14.910 1.00 19.28 C ATOM 553 O ARG A 65 3.277 -21.352 -15.854 1.00 19.35 O ATOM 554 CB ARG A 65 1.263 -19.539 -15.543 1.00 23.14 C ATOM 555 CG ARG A 65 -0.007 -18.823 -15.126 1.00 27.85 C ATOM 556 CD ARG A 65 -0.885 -19.727 -14.276 1.00 32.81 C ATOM 557 NE ARG A 65 -2.264 -19.251 -14.218 1.00 38.02 N ATOM 558 CZ ARG A 65 -3.245 -19.871 -13.567 1.00 41.11 C ATOM 559 NH1 ARG A 65 -3.007 -21.000 -12.909 1.00 40.56 N ATOM 560 NH2 ARG A 65 -4.468 -19.356 -13.576 1.00 44.09 N ATOM 561 HE ARG A 65 -2.495 -18.369 -14.719 1.00 0.00 H ATOM 562 HH12 ARG A 65 -3.779 -21.479 -12.402 1.00 0.00 H ATOM 563 HH11 ARG A 65 -2.049 -21.405 -12.900 1.00 0.00 H ATOM 564 HH22 ARG A 65 -5.238 -19.837 -13.069 1.00 0.00 H ATOM 565 HH21 ARG A 65 -4.656 -18.472 -14.090 1.00 0.00 H ATOM 566 H ARG A 65 2.682 -17.978 -13.110 1.00 0.00 H ATOM 567 N LEU A 66 4.606 -20.503 -14.248 1.00 14.36 N ATOM 568 CA LEU A 66 5.753 -21.332 -14.616 1.00 16.55 C ATOM 569 C LEU A 66 5.772 -22.663 -13.863 1.00 16.69 C ATOM 570 O LEU A 66 6.659 -23.488 -14.070 1.00 16.28 O ATOM 571 CB LEU A 66 7.068 -20.589 -14.361 1.00 13.19 C ATOM 572 CG LEU A 66 7.243 -19.226 -15.026 1.00 13.13 C ATOM 573 CD1 LEU A 66 8.607 -18.643 -14.685 1.00 13.20 C ATOM 574 CD2 LEU A 66 7.062 -19.349 -16.524 1.00 16.58 C ATOM 575 H LEU A 66 4.692 -19.840 -13.451 1.00 0.00 H ATOM 576 N TYR A 67 4.803 -22.864 -12.979 1.00 16.69 N ATOM 577 CA TYR A 67 4.741 -24.087 -12.190 1.00 15.85 C ATOM 578 C TYR A 67 3.294 -24.573 -12.114 1.00 18.24 C ATOM 579 O TYR A 67 2.729 -24.713 -11.040 1.00 16.64 O ATOM 580 CB TYR A 67 5.319 -23.837 -10.794 1.00 15.13 C ATOM 581 CG TYR A 67 5.496 -25.080 -9.946 1.00 15.66 C ATOM 582 CD1 TYR A 67 6.085 -26.224 -10.470 1.00 16.68 C ATOM 583 CD2 TYR A 67 5.093 -25.103 -8.615 1.00 16.66 C ATOM 584 CE1 TYR A 67 6.258 -27.360 -9.699 1.00 16.88 C ATOM 585 CE2 TYR A 67 5.258 -26.238 -7.838 1.00 15.95 C ATOM 586 CZ TYR A 67 5.842 -27.361 -8.385 1.00 15.45 C ATOM 587 OH TYR A 67 6.015 -28.491 -7.617 1.00 16.08 O ATOM 588 HH TYR A 67 5.134 -28.810 -7.298 1.00 0.00 H ATOM 589 H TYR A 67 4.074 -22.134 -12.847 1.00 0.00 H ATOM 590 N ASP A 68 2.683 -24.798 -13.274 1.00 21.52 N ATOM 591 CA ASP A 68 1.277 -25.197 -13.322 1.00 25.00 C ATOM 592 C ASP A 68 1.102 -26.644 -12.917 1.00 27.25 C ATOM 593 O ASP A 68 0.055 -27.036 -12.399 1.00 29.06 O ATOM 594 CB ASP A 68 0.689 -24.996 -14.721 1.00 27.44 C ATOM 595 CG ASP A 68 0.206 -23.581 -14.956 1.00 29.82 C ATOM 596 OD1 ASP A 68 0.143 -22.804 -13.983 1.00 28.89 O ATOM 597 OD2 ASP A 68 -0.129 -23.253 -16.115 1.00 32.38 O ATOM 598 H ASP A 68 3.214 -24.688 -14.161 1.00 0.00 H ATOM 599 N GLU A 69 2.123 -27.449 -13.165 1.00 27.85 N ATOM 600 CA GLU A 69 2.004 -28.866 -12.872 1.00 31.87 C ATOM 601 C GLU A 69 2.673 -29.223 -11.548 1.00 29.59 C ATOM 602 O GLU A 69 3.857 -29.554 -11.487 1.00 26.28 O ATOM 603 CB GLU A 69 2.508 -29.716 -14.051 1.00 37.20 C ATOM 604 CG GLU A 69 2.428 -31.234 -13.844 1.00 41.28 C ATOM 605 CD GLU A 69 1.267 -31.717 -12.988 1.00 44.26 C ATOM 606 OE1 GLU A 69 0.138 -31.144 -13.054 1.00 46.15 O ATOM 607 OE2 GLU A 69 1.455 -32.684 -12.228 1.00 44.22 O ATOM 608 H GLU A 69 3.004 -27.069 -13.567 1.00 0.00 H ATOM 609 N LYS A 70 1.871 -29.155 -10.493 1.00 31.63 N ATOM 610 CA LYS A 70 2.355 -29.218 -9.121 1.00 32.02 C ATOM 611 C LYS A 70 2.863 -30.590 -8.692 1.00 34.29 C ATOM 612 O LYS A 70 3.598 -30.699 -7.708 1.00 34.93 O ATOM 613 CB LYS A 70 1.236 -28.804 -8.170 1.00 31.05 C ATOM 614 CG LYS A 70 0.511 -27.546 -8.590 1.00 28.06 C ATOM 615 CD LYS A 70 1.429 -26.356 -8.499 1.00 23.64 C ATOM 616 CE LYS A 70 0.628 -25.083 -8.400 1.00 21.79 C ATOM 617 NZ LYS A 70 1.506 -23.900 -8.444 1.00 19.18 N ATOM 618 HZ1 LYS A 70 2.175 -23.936 -7.648 1.00 0.00 H ATOM 619 HZ2 LYS A 70 2.033 -23.894 -9.341 1.00 0.00 H ATOM 620 HZ3 LYS A 70 0.928 -23.038 -8.374 1.00 0.00 H ATOM 621 H LYS A 70 0.849 -29.052 -10.654 1.00 0.00 H ATOM 622 N GLN A 71 2.466 -31.636 -9.409 1.00 35.01 N ATOM 623 CA GLN A 71 2.834 -32.985 -8.993 1.00 35.34 C ATOM 624 C GLN A 71 4.206 -33.419 -9.514 1.00 34.61 C ATOM 625 O GLN A 71 4.727 -34.452 -9.102 1.00 35.70 O ATOM 626 CB GLN A 71 1.758 -33.993 -9.401 1.00 36.45 C ATOM 627 H GLN A 71 1.894 -31.493 -10.266 1.00 0.00 H ATOM 628 N GLN A 72 4.800 -32.628 -10.400 1.00 32.60 N ATOM 629 CA GLN A 72 6.036 -33.052 -11.055 1.00 31.74 C ATOM 630 C GLN A 72 7.289 -32.330 -10.544 1.00 28.22 C ATOM 631 O GLN A 72 8.410 -32.764 -10.815 1.00 28.63 O ATOM 632 CB GLN A 72 5.902 -32.940 -12.581 1.00 33.11 C ATOM 633 CG GLN A 72 6.674 -31.803 -13.236 1.00 34.65 C ATOM 634 CD GLN A 72 6.277 -31.598 -14.694 1.00 38.77 C ATOM 635 OE1 GLN A 72 5.445 -30.744 -15.005 1.00 40.03 O ATOM 636 NE2 GLN A 72 6.870 -32.383 -15.594 1.00 39.65 N ATOM 637 HE22 GLN A 72 7.567 -33.091 -15.287 1.00 0.00 H ATOM 638 HE21 GLN A 72 6.635 -32.287 -16.603 1.00 0.00 H ATOM 639 H GLN A 72 4.384 -31.703 -10.629 1.00 0.00 H ATOM 640 N HIS A 73 7.090 -31.234 -9.817 1.00 24.89 N ATOM 641 CA HIS A 73 8.190 -30.484 -9.199 1.00 22.94 C ATOM 642 C HIS A 73 9.199 -29.862 -10.156 1.00 21.14 C ATOM 643 O HIS A 73 10.296 -29.500 -9.744 1.00 19.47 O ATOM 644 CB HIS A 73 8.946 -31.354 -8.201 1.00 25.74 C ATOM 645 CG HIS A 73 8.073 -31.936 -7.141 1.00 28.17 C ATOM 646 ND1 HIS A 73 8.003 -31.396 -5.874 1.00 29.88 N ATOM 647 CD2 HIS A 73 7.229 -32.986 -7.153 1.00 29.54 C ATOM 648 CE1 HIS A 73 7.157 -32.110 -5.147 1.00 29.91 C ATOM 649 NE2 HIS A 73 6.670 -33.077 -5.908 1.00 30.43 N ATOM 650 H HIS A 73 6.116 -30.895 -9.681 1.00 0.00 H ATOM 651 N ILE A 74 8.847 -29.740 -11.427 1.00 20.92 N ATOM 652 CA ILE A 74 9.736 -29.060 -12.357 1.00 21.78 C ATOM 653 C ILE A 74 9.163 -27.698 -12.703 1.00 21.65 C ATOM 654 O ILE A 74 7.969 -27.573 -12.967 1.00 22.31 O ATOM 655 CB ILE A 74 9.953 -29.865 -13.645 1.00 24.18 C ATOM 656 CG1 ILE A 74 10.452 -31.275 -13.324 1.00 25.58 C ATOM 657 CG2 ILE A 74 10.939 -29.148 -14.561 1.00 25.06 C ATOM 658 CD1 ILE A 74 11.809 -31.315 -12.653 1.00 26.16 C ATOM 659 H ILE A 74 7.941 -30.128 -11.758 1.00 0.00 H ATOM 660 N VAL A 75 10.013 -26.676 -12.661 1.00 20.55 N ATOM 661 CA VAL A 75 9.644 -25.356 -13.149 1.00 19.35 C ATOM 662 C VAL A 75 10.183 -25.243 -14.561 1.00 20.52 C ATOM 663 O VAL A 75 11.361 -25.505 -14.792 1.00 19.24 O ATOM 664 CB VAL A 75 10.251 -24.229 -12.289 1.00 16.47 C ATOM 665 CG1 VAL A 75 10.196 -22.906 -13.025 1.00 15.34 C ATOM 666 CG2 VAL A 75 9.520 -24.118 -10.971 1.00 16.76 C ATOM 667 H VAL A 75 10.965 -26.824 -12.270 1.00 0.00 H ATOM 668 N TYR A 76 9.315 -24.880 -15.504 1.00 23.12 N ATOM 669 CA TYR A 76 9.705 -24.707 -16.902 1.00 23.16 C ATOM 670 C TYR A 76 9.852 -23.223 -17.208 1.00 21.31 C ATOM 671 O TYR A 76 8.876 -22.479 -17.143 1.00 22.58 O ATOM 672 CB TYR A 76 8.658 -25.326 -17.832 1.00 25.21 C ATOM 673 H TYR A 76 8.324 -24.714 -15.236 1.00 0.00 H ATOM 674 N CYS A 77 11.066 -22.791 -17.541 1.00 20.69 N ATOM 675 CA CYS A 77 11.351 -21.359 -17.615 1.00 20.07 C ATOM 676 C CYS A 77 12.226 -20.920 -18.791 1.00 20.34 C ATOM 677 O CYS A 77 12.668 -19.774 -18.836 1.00 17.91 O ATOM 678 CB CYS A 77 11.987 -20.886 -16.302 1.00 18.84 C ATOM 679 SG CYS A 77 13.476 -21.779 -15.830 1.00 20.01 S ATOM 680 H CYS A 77 11.818 -23.478 -17.750 1.00 0.00 H ATOM 681 N SER A 78 12.454 -21.814 -19.749 1.00 23.50 N ATOM 682 CA SER A 78 13.346 -21.527 -20.875 1.00 24.86 C ATOM 683 C SER A 78 12.993 -20.257 -21.660 1.00 24.72 C ATOM 684 O SER A 78 13.874 -19.595 -22.211 1.00 25.64 O ATOM 685 CB SER A 78 13.403 -22.723 -21.829 1.00 27.56 C ATOM 686 OG SER A 78 14.290 -22.457 -22.896 1.00 29.97 O ATOM 687 HG SER A 78 13.976 -21.661 -23.394 1.00 0.00 H ATOM 688 H SER A 78 11.987 -22.742 -19.697 1.00 0.00 H ATOM 689 N ASN A 79 11.709 -19.921 -21.707 1.00 24.71 N ATOM 690 CA ASN A 79 11.251 -18.756 -22.458 1.00 25.18 C ATOM 691 C ASN A 79 10.955 -17.540 -21.592 1.00 22.04 C ATOM 692 O ASN A 79 10.510 -16.506 -22.092 1.00 20.99 O ATOM 693 CB ASN A 79 10.013 -19.108 -23.277 1.00 30.79 C ATOM 694 CG ASN A 79 10.328 -20.027 -24.434 1.00 35.63 C ATOM 695 OD1 ASN A 79 10.977 -19.623 -25.399 1.00 38.09 O ATOM 696 ND2 ASN A 79 9.871 -21.272 -24.345 1.00 37.78 N ATOM 697 HD22 ASN A 79 9.327 -21.568 -23.509 1.00 0.00 H ATOM 698 HD21 ASN A 79 10.058 -21.950 -25.111 1.00 0.00 H ATOM 699 H ASN A 79 11.013 -20.502 -21.197 1.00 0.00 H ATOM 700 N ASP A 80 11.205 -17.666 -20.294 1.00 18.28 N ATOM 701 CA ASP A 80 10.910 -16.599 -19.350 1.00 16.08 C ATOM 702 C ASP A 80 12.190 -15.893 -18.922 1.00 14.03 C ATOM 703 O ASP A 80 13.279 -16.451 -19.029 1.00 14.00 O ATOM 704 CB ASP A 80 10.201 -17.176 -18.117 1.00 14.79 C ATOM 705 CG ASP A 80 9.618 -16.098 -17.219 1.00 15.80 C ATOM 706 OD1 ASP A 80 8.488 -15.640 -17.500 1.00 17.17 O ATOM 707 OD2 ASP A 80 10.282 -15.710 -16.231 1.00 14.82 O ATOM 708 H ASP A 80 11.623 -18.551 -19.943 1.00 0.00 H ATOM 709 N LEU A 81 12.050 -14.665 -18.431 1.00 13.75 N ATOM 710 CA LEU A 81 13.164 -13.953 -17.809 1.00 13.41 C ATOM 711 C LEU A 81 13.885 -14.822 -16.779 1.00 12.58 C ATOM 712 O LEU A 81 15.103 -14.753 -16.641 1.00 12.45 O ATOM 713 CB LEU A 81 12.670 -12.670 -17.140 1.00 12.55 C ATOM 714 CG LEU A 81 12.095 -11.609 -18.079 1.00 13.27 C ATOM 715 CD1 LEU A 81 11.550 -10.446 -17.275 1.00 14.30 C ATOM 716 CD2 LEU A 81 13.155 -11.127 -19.059 1.00 12.02 C ATOM 717 H LEU A 81 11.122 -14.199 -18.491 1.00 0.00 H ATOM 718 N LEU A 82 13.128 -15.652 -16.070 1.00 11.48 N ATOM 719 CA LEU A 82 13.701 -16.511 -15.041 1.00 11.55 C ATOM 720 C LEU A 82 14.724 -17.490 -15.624 1.00 11.81 C ATOM 721 O LEU A 82 15.748 -17.785 -15.000 1.00 10.34 O ATOM 722 CB LEU A 82 12.596 -17.271 -14.311 1.00 10.56 C ATOM 723 CG LEU A 82 13.060 -18.194 -13.187 1.00 12.76 C ATOM 724 CD1 LEU A 82 13.765 -17.405 -12.094 1.00 11.98 C ATOM 725 CD2 LEU A 82 11.871 -18.965 -12.629 1.00 12.47 C ATOM 726 H LEU A 82 12.105 -15.690 -16.253 1.00 0.00 H ATOM 727 N GLY A 83 14.448 -17.989 -16.821 1.00 12.94 N ATOM 728 CA GLY A 83 15.359 -18.907 -17.475 1.00 14.30 C ATOM 729 C GLY A 83 16.663 -18.220 -17.833 1.00 15.73 C ATOM 730 O GLY A 83 17.736 -18.812 -17.746 1.00 16.91 O ATOM 731 H GLY A 83 13.564 -17.718 -17.298 1.00 0.00 H ATOM 732 N ASP A 84 16.573 -16.958 -18.231 1.00 17.11 N ATOM 733 CA ASP A 84 17.763 -16.191 -18.569 1.00 17.74 C ATOM 734 C ASP A 84 18.547 -15.896 -17.298 1.00 17.10 C ATOM 735 O ASP A 84 19.776 -15.933 -17.294 1.00 18.85 O ATOM 736 CB ASP A 84 17.383 -14.883 -19.261 1.00 19.69 C ATOM 737 CG ASP A 84 18.215 -14.616 -20.505 1.00 21.89 C ATOM 738 OD1 ASP A 84 19.289 -15.242 -20.653 1.00 21.13 O ATOM 739 OD2 ASP A 84 17.797 -13.778 -21.334 1.00 22.52 O ATOM 740 H ASP A 84 15.637 -16.509 -18.303 1.00 0.00 H ATOM 741 N LEU A 85 17.822 -15.605 -16.222 1.00 14.56 N ATOM 742 CA LEU A 85 18.428 -15.290 -14.933 1.00 13.30 C ATOM 743 C LEU A 85 19.225 -16.466 -14.374 1.00 15.80 C ATOM 744 O LEU A 85 20.370 -16.304 -13.949 1.00 17.28 O ATOM 745 CB LEU A 85 17.349 -14.884 -13.925 1.00 13.61 C ATOM 746 CG LEU A 85 17.814 -14.467 -12.529 1.00 15.28 C ATOM 747 CD1 LEU A 85 18.361 -13.047 -12.553 1.00 16.64 C ATOM 748 CD2 LEU A 85 16.671 -14.582 -11.545 1.00 14.85 C ATOM 749 H LEU A 85 16.785 -15.602 -16.302 1.00 0.00 H ATOM 750 N PHE A 86 18.614 -17.648 -14.370 1.00 15.34 N ATOM 751 CA PHE A 86 19.260 -18.839 -13.825 1.00 15.37 C ATOM 752 C PHE A 86 20.195 -19.507 -14.831 1.00 17.95 C ATOM 753 O PHE A 86 21.095 -20.257 -14.456 1.00 19.10 O ATOM 754 CB PHE A 86 18.212 -19.851 -13.352 1.00 13.23 C ATOM 755 CG PHE A 86 17.571 -19.505 -12.035 1.00 13.87 C ATOM 756 CD1 PHE A 86 17.986 -18.401 -11.306 1.00 15.02 C ATOM 757 CD2 PHE A 86 16.556 -20.296 -11.522 1.00 13.31 C ATOM 758 CE1 PHE A 86 17.396 -18.090 -10.091 1.00 14.88 C ATOM 759 CE2 PHE A 86 15.960 -19.990 -10.296 1.00 14.13 C ATOM 760 CZ PHE A 86 16.381 -18.883 -9.588 1.00 14.54 C ATOM 761 H PHE A 86 17.655 -17.725 -14.764 1.00 0.00 H ATOM 762 N GLY A 87 19.973 -19.247 -16.113 1.00 18.76 N ATOM 763 CA GLY A 87 20.788 -19.850 -17.148 1.00 20.61 C ATOM 764 C GLY A 87 20.466 -21.318 -17.363 1.00 22.72 C ATOM 765 O GLY A 87 21.341 -22.103 -17.720 1.00 25.56 O ATOM 766 H GLY A 87 19.203 -18.601 -16.379 1.00 0.00 H ATOM 767 N VAL A 88 19.208 -21.687 -17.139 1.00 21.43 N ATOM 768 CA VAL A 88 18.749 -23.063 -17.313 1.00 20.38 C ATOM 769 C VAL A 88 17.360 -23.055 -17.938 1.00 19.91 C ATOM 770 O VAL A 88 16.616 -22.087 -17.787 1.00 20.51 O ATOM 771 CB VAL A 88 18.684 -23.830 -15.968 1.00 20.66 C ATOM 772 CG1 VAL A 88 20.065 -23.959 -15.343 1.00 21.67 C ATOM 773 CG2 VAL A 88 17.716 -23.155 -15.011 1.00 20.13 C ATOM 774 H VAL A 88 18.524 -20.968 -16.828 1.00 0.00 H ATOM 775 N PRO A 89 17.003 -24.128 -18.657 1.00 20.90 N ATOM 776 CA PRO A 89 15.671 -24.216 -19.268 1.00 21.24 C ATOM 777 C PRO A 89 14.622 -24.722 -18.284 1.00 21.13 C ATOM 778 O PRO A 89 13.423 -24.485 -18.461 1.00 20.59 O ATOM 779 CB PRO A 89 15.878 -25.238 -20.381 1.00 22.04 C ATOM 780 CG PRO A 89 16.947 -26.121 -19.857 1.00 21.97 C ATOM 781 CD PRO A 89 17.877 -25.234 -19.084 1.00 21.05 C ATOM 782 N SER A 90 15.081 -25.415 -17.249 1.00 21.76 N ATOM 783 CA SER A 90 14.193 -25.972 -16.243 1.00 20.62 C ATOM 784 C SER A 90 14.989 -26.323 -14.995 1.00 17.15 C ATOM 785 O SER A 90 16.213 -26.424 -15.036 1.00 17.01 O ATOM 786 CB SER A 90 13.509 -27.228 -16.783 1.00 23.23 C ATOM 787 OG SER A 90 14.469 -28.235 -17.045 1.00 24.40 O ATOM 788 HG SER A 90 14.946 -28.460 -16.207 1.00 0.00 H ATOM 789 H SER A 90 16.106 -25.564 -17.156 1.00 0.00 H ATOM 790 N PHE A 91 14.295 -26.503 -13.880 1.00 15.28 N ATOM 791 CA PHE A 91 14.951 -26.942 -12.654 1.00 14.91 C ATOM 792 C PHE A 91 13.920 -27.523 -11.707 1.00 13.81 C ATOM 793 O PHE A 91 12.725 -27.280 -11.860 1.00 13.67 O ATOM 794 CB PHE A 91 15.709 -25.793 -11.984 1.00 13.36 C ATOM 795 CG PHE A 91 14.827 -24.669 -11.528 1.00 12.37 C ATOM 796 CD1 PHE A 91 14.462 -23.658 -12.403 1.00 12.74 C ATOM 797 CD2 PHE A 91 14.363 -24.622 -10.224 1.00 13.27 C ATOM 798 CE1 PHE A 91 13.651 -22.618 -11.984 1.00 13.48 C ATOM 799 CE2 PHE A 91 13.548 -23.589 -9.796 1.00 12.79 C ATOM 800 CZ PHE A 91 13.190 -22.588 -10.676 1.00 13.50 C ATOM 801 H PHE A 91 13.270 -26.329 -13.880 1.00 0.00 H ATOM 802 N SER A 92 14.388 -28.295 -10.733 1.00 14.63 N ATOM 803 CA SER A 92 13.500 -28.915 -9.760 1.00 15.00 C ATOM 804 C SER A 92 13.278 -28.011 -8.559 1.00 13.65 C ATOM 805 O SER A 92 14.229 -27.464 -8.011 1.00 13.11 O ATOM 806 CB SER A 92 14.082 -30.245 -9.287 1.00 15.66 C ATOM 807 OG SER A 92 13.339 -30.753 -8.197 1.00 14.15 O ATOM 808 HG SER A 92 13.731 -31.614 -7.905 1.00 0.00 H ATOM 809 H SER A 92 15.412 -28.460 -10.664 1.00 0.00 H ATOM 810 N VAL A 93 12.025 -27.867 -8.136 1.00 11.11 N ATOM 811 CA VAL A 93 11.731 -27.043 -6.970 1.00 10.94 C ATOM 812 C VAL A 93 12.207 -27.720 -5.690 1.00 12.28 C ATOM 813 O VAL A 93 12.253 -27.095 -4.634 1.00 11.85 O ATOM 814 CB VAL A 93 10.232 -26.705 -6.847 1.00 10.92 C ATOM 815 CG1 VAL A 93 9.787 -25.866 -8.026 1.00 13.61 C ATOM 816 CG2 VAL A 93 9.398 -27.972 -6.741 1.00 14.39 C ATOM 817 H VAL A 93 11.251 -28.345 -8.640 1.00 0.00 H ATOM 818 N LYS A 94 12.575 -28.994 -5.789 1.00 12.46 N ATOM 819 CA LYS A 94 12.994 -29.756 -4.611 1.00 14.14 C ATOM 820 C LYS A 94 14.492 -29.654 -4.325 1.00 12.36 C ATOM 821 O LYS A 94 14.958 -30.043 -3.252 1.00 13.94 O ATOM 822 CB LYS A 94 12.615 -31.229 -4.765 1.00 17.56 C ATOM 823 CG LYS A 94 11.128 -31.493 -4.803 1.00 20.95 C ATOM 824 CD LYS A 94 10.845 -32.972 -4.630 1.00 25.64 C ATOM 825 CE LYS A 94 11.623 -33.802 -5.639 1.00 30.87 C ATOM 826 NZ LYS A 94 11.486 -35.266 -5.378 1.00 34.50 N ATOM 827 HZ1 LYS A 94 11.849 -35.483 -4.428 1.00 0.00 H ATOM 828 HZ2 LYS A 94 10.483 -35.535 -5.438 1.00 0.00 H ATOM 829 HZ3 LYS A 94 12.031 -35.796 -6.088 1.00 0.00 H ATOM 830 H LYS A 94 12.565 -29.458 -6.720 1.00 0.00 H ATOM 831 N GLU A 95 15.247 -29.133 -5.281 1.00 12.07 N ATOM 832 CA GLU A 95 16.698 -29.038 -5.157 1.00 12.90 C ATOM 833 C GLU A 95 17.108 -27.678 -4.615 1.00 11.91 C ATOM 834 O GLU A 95 17.528 -26.809 -5.372 1.00 12.00 O ATOM 835 CB GLU A 95 17.353 -29.271 -6.519 1.00 14.38 C ATOM 836 CG GLU A 95 17.099 -30.652 -7.093 1.00 16.83 C ATOM 837 CD GLU A 95 17.817 -31.745 -6.323 1.00 19.13 C ATOM 838 OE1 GLU A 95 18.795 -31.430 -5.612 1.00 19.48 O ATOM 839 OE2 GLU A 95 17.405 -32.920 -6.432 1.00 21.69 O ATOM 840 H GLU A 95 14.791 -28.781 -6.147 1.00 0.00 H ATOM 841 N HIS A 96 16.990 -27.505 -3.302 1.00 9.25 N ATOM 842 CA HIS A 96 17.117 -26.185 -2.702 1.00 8.85 C ATOM 843 C HIS A 96 18.517 -25.578 -2.736 1.00 13.51 C ATOM 844 O HIS A 96 18.656 -24.380 -2.953 1.00 8.45 O ATOM 845 CB HIS A 96 16.510 -26.180 -1.298 1.00 9.59 C ATOM 846 CG HIS A 96 15.049 -26.541 -1.278 1.00 10.30 C ATOM 847 ND1 HIS A 96 14.340 -26.718 -0.122 1.00 11.28 N ATOM 848 CD2 HIS A 96 14.184 -26.750 -2.301 1.00 10.50 C ATOM 849 CE1 HIS A 96 13.087 -27.024 -0.416 1.00 11.40 C ATOM 850 NE2 HIS A 96 12.963 -27.051 -1.732 1.00 10.79 N ATOM 851 H HIS A 96 16.804 -28.327 -2.693 1.00 0.00 H ATOM 852 N ARG A 97 19.548 -26.391 -2.535 1.00 8.86 N ATOM 853 CA ARG A 97 20.909 -25.885 -2.654 1.00 8.82 C ATOM 854 C ARG A 97 21.173 -25.407 -4.088 1.00 8.87 C ATOM 855 O ARG A 97 21.775 -24.360 -4.303 1.00 8.70 O ATOM 856 CB ARG A 97 21.934 -26.940 -2.237 1.00 10.03 C ATOM 857 CG ARG A 97 23.375 -26.577 -2.589 1.00 10.20 C ATOM 858 CD ARG A 97 23.803 -25.275 -1.925 1.00 8.98 C ATOM 859 NE ARG A 97 23.653 -25.330 -0.471 1.00 8.93 N ATOM 860 CZ ARG A 97 23.684 -24.260 0.317 1.00 9.34 C ATOM 861 NH1 ARG A 97 23.856 -23.053 -0.209 1.00 8.56 N ATOM 862 NH2 ARG A 97 23.537 -24.392 1.629 1.00 10.37 N ATOM 863 HE ARG A 97 23.514 -26.261 -0.028 1.00 0.00 H ATOM 864 HH12 ARG A 97 23.880 -22.216 0.407 1.00 0.00 H ATOM 865 HH11 ARG A 97 23.966 -22.945 -1.237 1.00 0.00 H ATOM 866 HH22 ARG A 97 23.562 -23.552 2.242 1.00 0.00 H ATOM 867 HH21 ARG A 97 23.397 -25.335 2.044 1.00 0.00 H ATOM 868 H ARG A 97 19.384 -27.389 -2.293 1.00 0.00 H ATOM 869 N LYS A 98 20.703 -26.169 -5.069 1.00 9.15 N ATOM 870 CA LYS A 98 20.864 -25.764 -6.456 1.00 12.36 C ATOM 871 C LYS A 98 20.188 -24.413 -6.723 1.00 8.96 C ATOM 872 O LYS A 98 20.750 -23.549 -7.405 1.00 8.89 O ATOM 873 CB LYS A 98 20.317 -26.839 -7.389 1.00 15.11 C ATOM 874 CG LYS A 98 20.345 -26.430 -8.836 1.00 20.49 C ATOM 875 CD LYS A 98 20.230 -27.626 -9.764 1.00 24.61 C ATOM 876 CE LYS A 98 20.388 -27.195 -11.214 1.00 26.93 C ATOM 877 NZ LYS A 98 19.080 -27.020 -11.882 1.00 27.86 N ATOM 878 HZ1 LYS A 98 18.560 -27.920 -11.864 1.00 0.00 H ATOM 879 HZ2 LYS A 98 18.532 -26.291 -11.382 1.00 0.00 H ATOM 880 HZ3 LYS A 98 19.232 -26.726 -12.868 1.00 0.00 H ATOM 881 H LYS A 98 20.217 -27.060 -4.844 1.00 0.00 H ATOM 882 N ILE A 99 18.997 -24.227 -6.159 1.00 8.95 N ATOM 883 CA ILE A 99 18.261 -22.978 -6.316 1.00 8.61 C ATOM 884 C ILE A 99 19.000 -21.820 -5.656 1.00 9.78 C ATOM 885 O ILE A 99 19.172 -20.763 -6.260 1.00 8.20 O ATOM 886 CB ILE A 99 16.826 -23.083 -5.757 1.00 8.64 C ATOM 887 CG1 ILE A 99 16.001 -24.071 -6.591 1.00 11.00 C ATOM 888 CG2 ILE A 99 16.148 -21.720 -5.736 1.00 12.17 C ATOM 889 CD1 ILE A 99 14.685 -24.474 -5.939 1.00 11.14 C ATOM 890 H ILE A 99 18.580 -24.992 -5.591 1.00 0.00 H ATOM 891 N TYR A 100 19.450 -22.024 -4.420 1.00 8.18 N ATOM 892 CA TYR A 100 20.246 -21.011 -3.740 1.00 7.99 C ATOM 893 C TYR A 100 21.478 -20.618 -4.561 1.00 9.72 C ATOM 894 O TYR A 100 21.792 -19.435 -4.710 1.00 9.40 O ATOM 895 CB TYR A 100 20.634 -21.482 -2.329 1.00 8.00 C ATOM 896 CG TYR A 100 19.742 -20.873 -1.272 1.00 8.55 C ATOM 897 CD1 TYR A 100 18.379 -21.136 -1.258 1.00 9.21 C ATOM 898 CD2 TYR A 100 20.253 -20.002 -0.315 1.00 10.05 C ATOM 899 CE1 TYR A 100 17.547 -20.560 -0.313 1.00 8.37 C ATOM 900 CE2 TYR A 100 19.428 -19.423 0.637 1.00 8.98 C ATOM 901 CZ TYR A 100 18.077 -19.704 0.627 1.00 7.79 C ATOM 902 OH TYR A 100 17.246 -19.127 1.556 1.00 7.82 O ATOM 903 HH TYR A 100 16.318 -19.436 1.404 1.00 0.00 H ATOM 904 H TYR A 100 19.231 -22.917 -3.934 1.00 0.00 H ATOM 905 N THR A 101 22.160 -21.613 -5.112 1.00 8.30 N ATOM 906 CA THR A 101 23.345 -21.352 -5.922 1.00 8.45 C ATOM 907 C THR A 101 23.019 -20.461 -7.123 1.00 11.01 C ATOM 908 O THR A 101 23.727 -19.490 -7.399 1.00 9.47 O ATOM 909 CB THR A 101 23.987 -22.665 -6.395 1.00 10.03 C ATOM 910 OG1 THR A 101 24.310 -23.472 -5.253 1.00 11.83 O ATOM 911 CG2 THR A 101 25.243 -22.391 -7.215 1.00 10.02 C ATOM 912 HG1 THR A 101 23.483 -23.670 -4.746 1.00 0.00 H ATOM 913 H THR A 101 21.846 -22.593 -4.965 1.00 0.00 H ATOM 914 N MET A 102 21.932 -20.778 -7.818 1.00 10.79 N ATOM 915 CA MET A 102 21.527 -20.006 -8.990 1.00 11.22 C ATOM 916 C MET A 102 21.142 -18.567 -8.635 1.00 11.30 C ATOM 917 O MET A 102 21.403 -17.640 -9.399 1.00 11.44 O ATOM 918 CB MET A 102 20.397 -20.713 -9.745 1.00 11.08 C ATOM 919 CG MET A 102 20.831 -22.019 -10.406 1.00 11.58 C ATOM 920 SD MET A 102 19.551 -22.783 -11.431 1.00 15.02 S ATOM 921 CE MET A 102 18.263 -23.114 -10.224 1.00 12.05 C ATOM 922 H MET A 102 21.358 -21.593 -7.521 1.00 0.00 H ATOM 923 N ILE A 103 20.539 -18.383 -7.468 1.00 10.43 N ATOM 924 CA ILE A 103 20.179 -17.051 -6.996 1.00 8.97 C ATOM 925 C ILE A 103 21.403 -16.221 -6.598 1.00 9.48 C ATOM 926 O ILE A 103 21.491 -15.037 -6.936 1.00 9.95 O ATOM 927 CB ILE A 103 19.175 -17.137 -5.824 1.00 7.78 C ATOM 928 CG1 ILE A 103 17.864 -17.754 -6.311 1.00 7.94 C ATOM 929 CG2 ILE A 103 18.904 -15.761 -5.227 1.00 7.69 C ATOM 930 CD1 ILE A 103 16.901 -18.105 -5.180 1.00 7.93 C ATOM 931 H ILE A 103 20.318 -19.208 -6.875 1.00 0.00 H ATOM 932 N TYR A 104 22.349 -16.848 -5.900 1.00 9.18 N ATOM 933 CA TYR A 104 23.575 -16.174 -5.455 1.00 8.78 C ATOM 934 C TYR A 104 24.355 -15.559 -6.615 1.00 9.75 C ATOM 935 O TYR A 104 25.031 -14.545 -6.454 1.00 11.35 O ATOM 936 CB TYR A 104 24.486 -17.154 -4.712 1.00 8.51 C ATOM 937 CG TYR A 104 24.105 -17.431 -3.273 1.00 8.37 C ATOM 938 CD1 TYR A 104 23.673 -16.410 -2.430 1.00 8.84 C ATOM 939 CD2 TYR A 104 24.203 -18.714 -2.749 1.00 8.23 C ATOM 940 CE1 TYR A 104 23.330 -16.673 -1.101 1.00 9.15 C ATOM 941 CE2 TYR A 104 23.862 -18.983 -1.431 1.00 8.08 C ATOM 942 CZ TYR A 104 23.430 -17.962 -0.613 1.00 10.55 C ATOM 943 OH TYR A 104 23.096 -18.243 0.698 1.00 10.56 O ATOM 944 HH TYR A 104 23.885 -18.617 1.165 1.00 0.00 H ATOM 945 H TYR A 104 22.214 -17.851 -5.662 1.00 0.00 H ATOM 946 N ARG A 105 24.268 -16.181 -7.783 1.00 9.22 N ATOM 947 CA ARG A 105 24.957 -15.666 -8.964 1.00 10.65 C ATOM 948 C ARG A 105 24.374 -14.344 -9.447 1.00 12.36 C ATOM 949 O ARG A 105 24.977 -13.652 -10.277 1.00 15.05 O ATOM 950 CB ARG A 105 24.928 -16.702 -10.086 1.00 10.99 C ATOM 951 CG ARG A 105 25.752 -17.923 -9.771 1.00 14.77 C ATOM 952 CD ARG A 105 25.714 -18.954 -10.869 1.00 17.81 C ATOM 953 NE ARG A 105 26.538 -20.099 -10.506 1.00 19.89 N ATOM 954 CZ ARG A 105 26.161 -21.365 -10.643 1.00 21.39 C ATOM 955 NH1 ARG A 105 24.964 -21.654 -11.142 1.00 22.99 N ATOM 956 NH2 ARG A 105 26.982 -22.342 -10.283 1.00 19.19 N ATOM 957 HE ARG A 105 27.483 -19.913 -10.114 1.00 0.00 H ATOM 958 HH12 ARG A 105 24.671 -22.646 -11.248 1.00 0.00 H ATOM 959 HH11 ARG A 105 24.320 -20.888 -11.426 1.00 0.00 H ATOM 960 HH22 ARG A 105 26.688 -23.334 -10.390 1.00 0.00 H ATOM 961 HH21 ARG A 105 27.920 -22.116 -9.894 1.00 0.00 H ATOM 962 H ARG A 105 23.700 -17.049 -7.860 1.00 0.00 H ATOM 963 N ASN A 106 23.202 -13.989 -8.931 1.00 10.04 N ATOM 964 CA ASN A 106 22.505 -12.796 -9.398 1.00 11.22 C ATOM 965 C ASN A 106 22.306 -11.731 -8.337 1.00 10.84 C ATOM 966 O ASN A 106 21.338 -10.977 -8.378 1.00 12.58 O ATOM 967 CB ASN A 106 21.165 -13.180 -10.011 1.00 13.53 C ATOM 968 CG ASN A 106 21.327 -13.998 -11.264 1.00 15.50 C ATOM 969 OD1 ASN A 106 21.663 -13.465 -12.320 1.00 17.40 O ATOM 970 ND2 ASN A 106 21.102 -15.299 -11.157 1.00 15.23 N ATOM 971 HD22 ASN A 106 20.819 -15.704 -10.242 1.00 0.00 H ATOM 972 HD21 ASN A 106 21.208 -15.915 -11.988 1.00 0.00 H ATOM 973 H ASN A 106 22.775 -14.571 -8.182 1.00 0.00 H ATOM 974 N LEU A 107 23.230 -11.662 -7.390 1.00 10.71 N ATOM 975 CA LEU A 107 23.140 -10.662 -6.341 1.00 9.66 C ATOM 976 C LEU A 107 24.511 -10.356 -5.767 1.00 9.16 C ATOM 977 O LEU A 107 25.492 -11.022 -6.084 1.00 11.34 O ATOM 978 CB LEU A 107 22.179 -11.128 -5.236 1.00 10.31 C ATOM 979 CG LEU A 107 22.384 -12.518 -4.612 1.00 11.56 C ATOM 980 CD1 LEU A 107 23.545 -12.544 -3.639 1.00 11.71 C ATOM 981 CD2 LEU A 107 21.105 -12.994 -3.923 1.00 11.72 C ATOM 982 H LEU A 107 24.027 -12.330 -7.398 1.00 0.00 H ATOM 983 N VAL A 108 24.568 -9.342 -4.916 1.00 9.64 N ATOM 984 CA VAL A 108 25.752 -9.081 -4.121 1.00 11.74 C ATOM 985 C VAL A 108 25.411 -9.357 -2.669 1.00 13.74 C ATOM 986 O VAL A 108 24.426 -8.833 -2.137 1.00 13.47 O ATOM 987 CB VAL A 108 26.190 -7.621 -4.233 1.00 14.17 C ATOM 988 CG1 VAL A 108 27.495 -7.401 -3.480 1.00 15.37 C ATOM 989 CG2 VAL A 108 26.327 -7.225 -5.692 1.00 15.43 C ATOM 990 H VAL A 108 23.742 -8.717 -4.816 1.00 0.00 H ATOM 991 N VAL A 109 26.220 -10.188 -2.021 1.00 14.52 N ATOM 992 CA VAL A 109 26.009 -10.447 -0.609 1.00 14.05 C ATOM 993 C VAL A 109 26.558 -9.280 0.204 1.00 17.91 C ATOM 994 O VAL A 109 27.694 -8.850 0.010 1.00 18.45 O ATOM 995 CB VAL A 109 26.662 -11.765 -0.169 1.00 14.28 C ATOM 996 CG1 VAL A 109 26.514 -11.949 1.331 1.00 15.85 C ATOM 997 CG2 VAL A 109 26.019 -12.924 -0.912 1.00 12.96 C ATOM 998 H VAL A 109 27.003 -10.652 -2.525 1.00 0.00 H ATOM 999 N VAL A 110 25.732 -8.759 1.099 1.00 21.97 N ATOM 1000 CA VAL A 110 26.113 -7.638 1.929 1.00 19.26 C ATOM 1001 C VAL A 110 27.104 -8.074 3.002 1.00 25.09 C ATOM 1002 O VAL A 110 26.899 -9.076 3.695 1.00 26.10 O ATOM 1003 CB VAL A 110 24.904 -6.988 2.580 1.00 20.09 C ATOM 1004 CG1 VAL A 110 25.340 -5.846 3.498 1.00 21.56 C ATOM 1005 CG2 VAL A 110 23.931 -6.498 1.525 1.00 20.25 C ATOM 1006 OXT VAL A 110 28.106 -7.394 3.169 1.00 27.17 O ATOM 1007 H VAL A 110 24.782 -9.168 1.208 1.00 0.00 H TER 1008 VAL A 110 HETATM 1009 O HOH 1 14.765 -19.955 2.038 1.00 9.70 O HETATM 1010 O HOH 2 -1.089 -17.353 -11.079 1.00 9.93 O HETATM 1011 O HOH 3 19.526 -29.159 -1.511 1.00 10.97 O HETATM 1012 O HOH 4 18.806 -12.164 -23.204 1.00 10.95 O HETATM 1013 O HOH 5 20.082 -29.199 -4.410 1.00 13.86 O HETATM 1014 O HOH 6 5.840 -28.150 3.616 1.00 16.35 O HETATM 1015 O HOH 7 25.180 -22.153 -2.727 1.00 12.87 O HETATM 1016 O HOH 8 23.704 -28.063 0.616 1.00 16.87 O HETATM 1017 O HOH 9 16.006 -3.642 -11.841 1.00 14.88 O HETATM 1018 O HOH 10 22.664 -27.074 2.864 1.00 17.29 O HETATM 1019 O HOH 11 2.483 -24.082 -5.863 1.00 19.21 O HETATM 1020 O HOH 12 6.117 -17.657 -2.643 1.00 12.54 O HETATM 1021 O HOH 13 19.620 -10.869 8.643 1.00 18.70 O HETATM 1022 O HOH 14 2.086 -12.108 -4.722 1.00 18.42 O HETATM 1023 O HOH 15 19.635 -4.335 -5.092 1.00 21.48 O HETATM 1024 O HOH 16 17.247 -25.238 8.307 1.00 15.26 O HETATM 1025 O HOH 17 23.217 -11.089 -12.396 1.00 24.73 O HETATM 1026 O HOH 18 5.180 -16.341 3.600 1.00 18.15 O HETATM 1027 O HOH 19 3.270 -10.135 -0.922 1.00 22.75 O HETATM 1028 O HOH 20 3.961 -10.664 1.818 1.00 17.98 O HETATM 1029 O HOH 21 23.747 -5.358 -6.341 1.00 22.36 O HETATM 1030 O HOH 22 14.872 -23.662 8.666 1.00 24.67 O HETATM 1031 O HOH 23 13.799 -3.088 -10.306 1.00 26.07 O HETATM 1032 O HOH 24 30.081 -9.992 -1.425 1.00 20.43 O HETATM 1033 O HOH 25 25.020 -17.669 12.070 1.00 27.32 O HETATM 1034 O HOH 26 4.003 -25.989 -4.505 1.00 20.01 O HETATM 1035 O HOH 27 6.736 -16.481 -19.177 1.00 26.67 O HETATM 1036 O HOH 28 21.717 -29.778 -0.166 1.00 28.03 O HETATM 1037 O HOH 29 1.452 -11.589 -7.396 1.00 25.67 O HETATM 1038 O HOH 30 28.808 -6.024 -0.504 1.00 27.45 O HETATM 1039 O HOH 31 3.914 -10.835 -3.409 1.00 23.15 O HETATM 1040 O HOH 32 28.357 -10.875 4.899 1.00 26.30 O HETATM 1041 O HOH 33 25.239 -11.041 4.679 1.00 35.07 O HETATM 1042 O HOH 34 11.026 -14.811 -24.159 1.00 19.35 O HETATM 1043 O HOH 35 21.480 -16.987 -19.412 1.00 37.35 O HETATM 1044 O HOH 36 9.512 -5.302 0.242 1.00 31.64 O HETATM 1045 O HOH 37 0.203 -14.711 9.174 1.00 27.55 O HETATM 1046 O HOH 38 9.708 -28.164 1.460 1.00 24.81 O HETATM 1047 O HOH 39 14.727 -21.176 9.385 1.00 30.82 O HETATM 1048 O HOH 40 12.363 -24.437 7.524 1.00 27.08 O HETATM 1049 O HOH 41 27.544 -13.905 -6.886 1.00 35.05 O HETATM 1050 O HOH 42 11.420 -2.549 -11.496 1.00 30.15 O HETATM 1051 O HOH 43 4.330 -11.329 9.020 1.00 27.41 O HETATM 1052 O HOH 44 0.290 -9.854 4.646 1.00 34.29 O HETATM 1053 O HOH 45 12.628 -30.593 1.808 1.00 20.19 O HETATM 1054 O HOH 46 12.107 -28.219 2.651 1.00 25.01 O HETATM 1055 O HOH 47 20.455 -30.563 2.256 1.00 32.11 O HETATM 1056 O HOH 48 9.513 -4.731 -11.587 1.00 23.77 O HETATM 1057 O HOH 49 11.567 -20.473 9.465 1.00 22.60 O HETATM 1058 O HOH 50 17.162 -29.029 -10.916 1.00 29.96 O HETATM 1059 O HOH 51 29.088 -5.072 2.084 1.00 35.30 O HETATM 1060 O HOH 52 17.991 -28.039 9.056 1.00 37.26 O HETATM 1061 O HOH 53 9.264 -9.680 2.997 1.00 35.80 O HETATM 1062 O HOH 54 23.629 -16.825 -13.884 1.00 33.88 O HETATM 1063 O HOH 55 20.223 -4.018 -8.999 1.00 19.80 O HETATM 1064 O HOH 56 12.499 -18.673 10.741 1.00 33.88 O HETATM 1065 O HOH 57 3.641 -24.077 -15.741 1.00 22.08 O HETATM 1066 O HOH 58 5.213 -26.700 -14.232 1.00 26.36 O HETATM 1067 O HOH 59 -1.352 -23.347 -11.722 1.00 37.15 O HETATM 1068 O HOH 60 9.620 -10.975 6.236 1.00 28.03 O HETATM 1069 O HOH 61 2.833 -9.349 -11.396 1.00 31.13 O HETATM 1070 O HOH 62 17.758 -8.547 8.755 1.00 32.63 O HETATM 1071 O HOH 63 5.091 -10.477 -12.451 1.00 28.55 O HETATM 1072 O HOH 64 6.708 -3.161 -6.311 1.00 29.56 O HETATM 1073 O HOH 65 14.347 -0.559 -8.940 1.00 32.67 O HETATM 1074 O HOH 66 25.138 0.049 2.910 1.00 39.62 O HETATM 1075 O HOH 67 17.192 -32.260 -2.295 1.00 34.32 O HETATM 1076 O HOH 68 18.683 -32.385 1.659 1.00 36.67 O HETATM 1077 O HOH 69 15.494 -31.598 4.804 1.00 38.48 O HETATM 1078 O HOH 70 7.766 -4.579 -13.705 1.00 39.04 O HETATM 1079 O HOH 71 15.228 -30.412 -14.935 1.00 42.14 O HETATM 1080 O HOH 72 -2.748 -16.951 -13.922 1.00 42.84 O HETATM 1081 O HOH 73 22.911 -3.316 -8.653 1.00 37.76 O HETATM 1082 O HOH 74 17.344 -24.434 12.662 1.00 34.36 O HETATM 1083 O HOH 75 15.804 -18.618 8.553 1.00 19.11 O HETATM 1084 O HOH 76 21.174 -12.225 -17.385 1.00 32.44 O HETATM 1085 O HOH 77 16.561 -1.472 0.957 1.00 27.25 O HETATM 1086 O HOH 78 22.317 -13.989 -15.121 1.00 29.10 O HETATM 1087 O HOH 79 5.992 -22.339 9.080 1.00 33.95 O HETATM 1088 O HOH 80 1.799 -9.224 2.767 1.00 39.43 O HETATM 1089 O HOH 81 -1.108 -29.812 -10.454 1.00 40.52 O HETATM 1090 O HOH 82 11.458 -35.632 -8.409 1.00 40.19 O HETATM 1091 O HOH 83 7.185 -21.137 10.961 1.00 38.10 O HETATM 1092 O HOH 84 5.836 -22.629 -17.948 1.00 34.72 O HETATM 1093 C10 UNN A 85 12.670 -23.666 -2.226 1.00 -0.05 C HETATM 1094 C9 UNN A 85 13.700 -23.047 -1.514 1.00 0.03 C HETATM 1095 CL1 UNN A 85 15.307 -23.011 -2.175 1.00 -0.07 CL HETATM 1096 C8 UNN A 85 13.452 -22.462 -0.274 1.00 -0.05 C HETATM 1097 C7 UNN A 85 12.167 -22.493 0.262 1.00 -0.07 C HETATM 1098 C6 UNN A 85 11.139 -23.108 -0.458 1.00 -0.06 C HETATM 1099 C4 UNN A 85 11.378 -23.697 -1.700 1.00 -0.04 C HETATM 1100 C3 UNN A 85 10.221 -24.364 -2.466 1.00 0.03 C HETATM 1101 C5 UNN A 85 9.355 -25.231 -1.564 1.00 -0.02 C HETATM 1102 C18 UNN A 85 8.278 -25.920 -2.417 1.00 0.07 C HETATM 1103 C17 UNN A 85 7.589 -24.942 -3.355 1.00 0.21 C HETATM 1104 N1 UNN A 85 8.081 -23.645 -3.610 1.00 -0.25 N HETATM 1105 C2 UNN A 85 9.324 -23.196 -2.942 1.00 0.09 C HETATM 1106 C1 UNN A 85 10.154 -22.344 -3.928 1.00 -0.02 C HETATM 1107 C25 UNN A 85 10.694 -22.923 -5.067 1.00 -0.02 C HETATM 1108 C24 UNN A 85 11.444 -22.162 -5.955 1.00 0.14 C HETATM 1109 F1 UNN A 85 11.948 -22.749 -7.058 1.00 -0.18 F HETATM 1110 C23 UNN A 85 11.675 -20.815 -5.699 1.00 0.07 C HETATM 1111 CL2 UNN A 85 12.627 -19.850 -6.781 1.00 -0.08 CL HETATM 1112 C22 UNN A 85 11.143 -20.232 -4.555 1.00 -0.06 C HETATM 1113 C21 UNN A 85 10.389 -20.999 -3.672 1.00 -0.06 C HETATM 1114 H UNN A 85 9.982 -20.543 -2.777 1.00 0.05 H HETATM 1115 H UNN A 85 11.315 -19.181 -4.351 1.00 0.06 H HETATM 1116 H UNN A 85 10.530 -23.976 -5.266 1.00 0.05 H HETATM 1117 H UNN A 85 9.048 -22.585 -2.070 1.00 0.07 H HETATM 1118 C11 UNN A 85 7.216 -22.666 -4.325 1.00 0.07 C HETATM 1119 C12 UNN A 85 6.794 -22.990 -5.763 1.00 -0.02 C HETATM 1120 C27 UNN A 85 6.986 -21.845 -6.749 1.00 -0.05 C HETATM 1121 C28 UNN A 85 7.885 -23.087 -6.824 1.00 -0.05 C HETATM 1122 H UNN A 85 7.779 -23.794 -7.660 1.00 0.03 H HETATM 1123 H UNN A 85 8.944 -23.019 -6.533 1.00 0.03 H HETATM 1124 H UNN A 85 7.400 -20.886 -6.405 1.00 0.03 H HETATM 1125 H UNN A 85 6.235 -21.661 -7.532 1.00 0.03 H HETATM 1126 H UNN A 85 5.913 -23.648 -5.790 1.00 0.03 H HETATM 1127 C13 UNN A 85 5.949 -22.386 -3.497 1.00 0.09 C HETATM 1128 S1 UNN A 85 6.210 -21.729 -1.819 1.00 -0.02 S HETATM 1129 O2 UNN A 85 6.969 -22.713 -0.969 1.00 -0.17 O HETATM 1130 O3 UNN A 85 6.963 -20.437 -1.868 1.00 -0.17 O HETATM 1131 C14 UNN A 85 4.574 -21.465 -1.042 1.00 0.08 C HETATM 1132 C16 UNN A 85 3.841 -22.806 -1.001 1.00 -0.04 C HETATM 1133 H UNN A 85 2.853 -22.670 -0.537 1.00 0.03 H HETATM 1134 H UNN A 85 4.427 -23.526 -0.411 1.00 0.03 H HETATM 1135 H UNN A 85 3.715 -23.187 -2.025 1.00 0.03 H HETATM 1136 C29 UNN A 85 4.776 -20.920 0.367 1.00 -0.04 C HETATM 1137 H UNN A 85 3.797 -20.758 0.842 1.00 0.03 H HETATM 1138 H UNN A 85 5.321 -19.966 0.317 1.00 0.03 H HETATM 1139 H UNN A 85 5.356 -21.642 0.960 1.00 0.03 H HETATM 1140 C15 UNN A 85 3.780 -20.463 -1.870 1.00 -0.04 C HETATM 1141 H UNN A 85 2.796 -20.302 -1.406 1.00 0.03 H HETATM 1142 H UNN A 85 3.645 -20.855 -2.889 1.00 0.03 H HETATM 1143 H UNN A 85 4.326 -19.509 -1.913 1.00 0.03 H HETATM 1144 H UNN A 85 5.394 -23.331 -3.404 1.00 0.05 H HETATM 1145 H UNN A 85 5.341 -21.656 -4.052 1.00 0.05 H HETATM 1146 H UNN A 85 7.797 -21.733 -4.379 1.00 0.06 H HETATM 1147 O1 UNN A 85 6.505 -25.309 -3.806 1.00 -0.34 O HETATM 1148 C26 UNN A 85 7.199 -26.470 -1.484 1.00 -0.05 C HETATM 1149 H UNN A 85 6.419 -26.967 -2.079 1.00 0.02 H HETATM 1150 H UNN A 85 6.753 -25.643 -0.912 1.00 0.02 H HETATM 1151 H UNN A 85 7.649 -27.195 -0.790 1.00 0.02 H HETATM 1152 C19 UNN A 85 8.789 -27.015 -3.362 1.00 0.03 C HETATM 1153 C20 UNN A 85 9.296 -28.240 -2.588 1.00 0.08 C HETATM 1154 S2 UNN A 85 8.289 -29.603 -2.393 1.00 0.00 S HETATM 1155 C31 UNN A 85 9.375 -30.473 -1.520 1.00 0.03 C HETATM 1156 C30 UNN A 85 10.490 -29.733 -1.383 1.00 -0.03 C HETATM 1157 N2 UNN A 85 10.453 -28.506 -1.968 1.00 -0.34 N HETATM 1158 H UNN A 85 11.363 -30.092 -0.840 1.00 0.04 H HETATM 1159 C32 UNN A 85 9.037 -31.874 -1.023 1.00 0.04 C HETATM 1160 C33 UNN A 85 10.306 -32.501 -0.475 1.00 0.05 C HETATM 1161 O5 UNN A 85 10.877 -33.337 -1.210 1.00 -0.57 O HETATM 1162 O4 UNN A 85 10.683 -32.117 0.656 1.00 -0.57 O HETATM 1163 H UNN A 85 8.651 -32.481 -1.855 1.00 0.06 H HETATM 1164 H UNN A 85 8.278 -31.815 -0.229 1.00 0.06 H HETATM 1165 H UNN A 85 9.613 -26.609 -3.966 1.00 0.05 H HETATM 1166 H UNN A 85 7.968 -27.326 -4.024 1.00 0.05 H HETATM 1167 H UNN A 85 8.874 -24.603 -0.800 1.00 0.03 H HETATM 1168 H UNN A 85 9.980 -25.992 -1.073 1.00 0.03 H HETATM 1169 H UNN A 85 10.605 -24.955 -3.311 1.00 0.05 H HETATM 1170 H UNN A 85 10.137 -23.128 -0.044 1.00 0.06 H HETATM 1171 H UNN A 85 11.966 -22.044 1.228 1.00 0.06 H HETATM 1172 H UNN A 85 14.257 -21.984 0.272 1.00 0.06 H HETATM 1173 H UNN A 85 12.874 -24.122 -3.188 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1093 1094 1099 1173 CONECT 1094 1093 1095 1096 CONECT 1095 1094 CONECT 1096 1094 1097 1172 CONECT 1097 1096 1098 1171 CONECT 1098 1097 1099 1170 CONECT 1099 1093 1098 1100 CONECT 1100 1099 1101 1105 1169 CONECT 1101 1100 1102 1167 1168 CONECT 1102 1101 1103 1148 1152 CONECT 1103 1102 1104 1147 CONECT 1104 1103 1105 1118 CONECT 1105 1100 1104 1106 1117 CONECT 1106 1105 1107 1113 CONECT 1107 1106 1108 1116 CONECT 1108 1107 1109 1110 CONECT 1109 1108 CONECT 1110 1108 1111 1112 CONECT 1111 1110 CONECT 1112 1110 1113 1115 CONECT 1113 1106 1112 1114 CONECT 1114 1113 CONECT 1115 1112 CONECT 1116 1107 CONECT 1117 1105 CONECT 1118 1104 1119 1127 1146 CONECT 1119 1118 1120 1121 1126 CONECT 1120 1119 1121 1124 1125 CONECT 1121 1119 1120 1122 1123 CONECT 1122 1121 CONECT 1123 1121 CONECT 1124 1120 CONECT 1125 1120 CONECT 1126 1119 CONECT 1127 1118 1128 1144 1145 CONECT 1128 1127 1129 1130 1131 CONECT 1129 1128 CONECT 1130 1128 CONECT 1131 1128 1132 1136 1140 CONECT 1132 1131 1133 1134 1135 CONECT 1133 1132 CONECT 1134 1132 CONECT 1135 1132 CONECT 1136 1131 1137 1138 1139 CONECT 1137 1136 CONECT 1138 1136 CONECT 1139 1136 CONECT 1140 1131 1141 1142 1143 CONECT 1141 1140 CONECT 1142 1140 CONECT 1143 1140 CONECT 1144 1127 CONECT 1145 1127 CONECT 1146 1118 CONECT 1147 1103 CONECT 1148 1102 1149 1150 1151 CONECT 1149 1148 CONECT 1150 1148 CONECT 1151 1148 CONECT 1152 1102 1153 1165 1166 CONECT 1153 1152 1154 1157 CONECT 1154 1153 1155 CONECT 1155 1154 1156 1159 CONECT 1156 1155 1157 1158 CONECT 1157 1153 1156 CONECT 1158 1156 CONECT 1159 1155 1160 1163 1164 CONECT 1160 1159 1161 1162 CONECT 1161 1160 CONECT 1162 1160 CONECT 1163 1159 CONECT 1164 1159 CONECT 1165 1152 CONECT 1166 1152 CONECT 1167 1101 CONECT 1168 1101 CONECT 1169 1100 CONECT 1170 1098 CONECT 1171 1097 CONECT 1172 1096 CONECT 1173 1093 MASTER 0 0 0 0 0 0 0 0 1172 1 85 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4ode
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1rv1
RCSB PDB
PDBbind
85aa, >1RV1_1|Chains... at 98%
1t4e
RCSB PDB
PDBbind
96aa, >1T4E_1|Chains... at 98%
2axi
RCSB PDB
PDBbind
115aa, >2AXI_1|Chain... at 95%
2gv2
RCSB PDB
PDBbind
110aa, >2GV2_1|Chain... at 99%
2lzg
RCSB PDB
PDBbind
125aa, >2LZG_1|Chain... at 100%
3jzk
RCSB PDB
PDBbind
96aa, >3JZK_1|Chain... at 98%
3lbk
RCSB PDB
PDBbind
95aa, >3LBK_1|Chain... at 97%
3lbl
RCSB PDB
PDBbind
95aa, >3LBL_1|Chains... at 98%
3lnz
RCSB PDB
PDBbind
85aa, >3LNZ_1|Chains... at 100%
3tu1
RCSB PDB
PDBbind
108aa, >3TU1_1|Chain... at 100%
3vbg
RCSB PDB
PDBbind
85aa, >3VBG_1|Chains... at 98%
3vzv
RCSB PDB
PDBbind
87aa, >3VZV_1|Chains... at 96%
3w69
RCSB PDB
PDBbind
87aa, >3W69_1|Chains... at 96%
4dij
RCSB PDB
PDBbind
96aa, >4DIJ_1|Chains... at 97%
4ere
RCSB PDB
PDBbind
96aa, >4ERE_1|Chains... at 98%
4erf
RCSB PDB
PDBbind
96aa, >4ERF_1|Chains... at 98%
4hbm
RCSB PDB
PDBbind
120aa, >4HBM_1|Chains... at 100%
4hg7
RCSB PDB
PDBbind
97aa, >4HG7_1|Chain... at 93%
4jv7
RCSB PDB
PDBbind
96aa, >4JV7_1|Chain... at 97%
4jv9
RCSB PDB
PDBbind
96aa, >4JV9_1|Chain... at 97%
4jve
RCSB PDB
PDBbind
96aa, >4JVE_1|Chain... at 97%
4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4mdq
RCSB PDB
PDBbind
86aa, >4MDQ_1|Chain... at 100%
4oas
RCSB PDB
PDBbind
96aa, >4OAS_1|Chains... at 98%
4oba
RCSB PDB
PDBbind
96aa, >4OBA_1|Chains... at 98%
4occ
RCSB PDB
PDBbind
96aa, >4OCC_1|Chains... at 98%
4odf
RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
4ogn
RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
RCSB PDB
PDBbind
105aa, >4OGT_1|Chain... at 100%
4ogv
RCSB PDB
PDBbind
95aa, >4OGV_1|Chains... at 100%
4oq3
RCSB PDB
PDBbind
96aa, >4OQ3_1|Chains... at 97%
4qo4
RCSB PDB
PDBbind
96aa, >4QO4_1|Chain... at 98%
4qoc
RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4wt2
RCSB PDB
PDBbind
105aa, >4WT2_1|Chain... at 100%
4zfi
RCSB PDB
PDBbind
97aa, >4ZFI_1|Chains... at 98%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
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
4ode
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase MDM2
Ligand Name
2U0
EC.Number
E.C.6.3.2
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=0.1nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 2963-2988
Ligand Properties
Formula
C
3
3
H
3
7
Cl
2
FN
2
O
5
S
2
Molecular Weight
695.692
Exact Mass
694.150
No. of atoms
82
No. of bonds
86
Polar Surface Area
141.26
LOGP Value
7.95 (
Computed with XLOGP3
)
8.53 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
Canonical SMILES
OC(=O)Cc1cnc(s1)C[C@@]1(C)C[C@H](c2cccc(c2)Cl)[C@H](N(C1=O)[C@@H](C1CC1)CS(=O)(=O)C(C)(C)C)c1ccc(c(c1)F)Cl
InChI String
InChI=1S/C33H37Cl2FN2O5S2/c1-32(2,3)45(42,43)18-27(19-8-9-19)38-30(21-10-11-25(35)26(36)13-21)24(20-6-5-7-22(34)12-20)15-33(4,31(38)41)16-28-37-17-23(44-28)14-29(39)40/h5-7,10-13,17,19,24,27,30H,8-9,14-16,18H2,1-4H3,(H,39,40)/t24-,27-,30-,33-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com