Browse entries in the PDBbind-CN Database
HEADER 2BZ8_COMPLEX COMPND 2BZ8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 57 VAL GLU ALA ILE VAL GLU PHE ASP TYR GLN ALA GLN HIS SEQRES 2 A 57 ASP ASP GLU LEU THR ILE SER VAL GLY GLU ILE ILE THR SEQRES 3 A 57 ASN ILE ARG LYS GLU ASP GLY GLY TRP TRP GLU GLY GLN SEQRES 4 A 57 ILE ASN GLY ARG ARG GLY LEU PHE PRO ASP ASN PHE VAL SEQRES 5 A 57 ARG GLU ILE LYS LYS SEQRES 1 B 57 VAL GLU ALA ILE VAL GLU PHE ASP TYR GLN ALA GLN HIS SEQRES 2 B 57 ASP ASP GLU LEU THR ILE SER VAL GLY GLU ILE ILE THR SEQRES 3 B 57 ASN ILE ARG LYS GLU ASP GLY GLY TRP TRP GLU GLY GLN SEQRES 4 B 57 ILE ASN GLY ARG ARG GLY LEU PHE PRO ASP ASN PHE VAL SEQRES 5 B 57 ARG GLU ILE LYS LYS HET PRO A 197 201 ATOM 1 N VAL A 2 15.011 30.761 54.267 1.00 39.28 N ATOM 2 CA VAL A 2 14.565 30.444 52.875 1.00 39.07 C ATOM 3 C VAL A 2 13.186 29.783 52.831 1.00 39.59 C ATOM 4 O VAL A 2 13.005 28.653 53.294 1.00 38.26 O ATOM 5 CB VAL A 2 15.577 29.514 52.167 1.00 39.78 C ATOM 6 CG1 VAL A 2 15.029 29.060 50.825 1.00 39.32 C ATOM 7 CG2 VAL A 2 16.892 30.248 51.966 1.00 41.20 C ATOM 8 HA VAL A 2 14.505 31.402 52.358 1.00 0.00 H ATOM 9 HB VAL A 2 15.744 28.636 52.790 1.00 0.00 H ATOM 10 HG11 VAL A 2 14.096 28.518 50.979 1.00 0.00 H ATOM 11 HG12 VAL A 2 14.845 29.931 50.196 1.00 0.00 H ATOM 12 HG13 VAL A 2 15.754 28.406 50.340 1.00 0.00 H ATOM 13 HG21 VAL A 2 16.723 31.133 51.353 1.00 0.00 H ATOM 14 HG22 VAL A 2 17.291 30.547 52.935 1.00 0.00 H ATOM 15 HG23 VAL A 2 17.602 29.589 51.467 1.00 0.00 H ATOM 16 HN3 VAL A 2 15.061 29.883 54.822 1.00 0.00 H ATOM 17 HN2 VAL A 2 14.331 31.413 54.708 1.00 0.00 H ATOM 18 HN1 VAL A 2 15.950 31.207 54.236 1.00 0.00 H ATOM 19 N GLU A 3 12.216 30.505 52.271 1.00 39.46 N ATOM 20 CA GLU A 3 10.851 30.006 52.141 1.00 39.26 C ATOM 21 C GLU A 3 10.397 30.095 50.696 1.00 37.94 C ATOM 22 O GLU A 3 11.059 30.710 49.852 1.00 36.02 O ATOM 23 CB GLU A 3 9.865 30.816 52.999 1.00 42.18 C ATOM 24 CG GLU A 3 10.094 30.763 54.505 1.00 46.24 C ATOM 25 CD GLU A 3 10.811 31.990 55.039 1.00 49.22 C ATOM 26 OE1 GLU A 3 11.928 32.291 54.564 1.00 51.57 O ATOM 27 OE2 GLU A 3 10.258 32.655 55.942 1.00 51.59 O ATOM 28 HA GLU A 3 10.857 28.971 52.482 1.00 0.00 H ATOM 29 HB2 GLU A 3 9.929 31.859 52.688 1.00 0.00 H ATOM 30 HB3 GLU A 3 8.862 30.440 52.800 1.00 0.00 H ATOM 31 HG2 GLU A 3 9.127 30.682 55.001 1.00 0.00 H ATOM 32 HG3 GLU A 3 10.694 29.882 54.735 1.00 0.00 H ATOM 33 H GLU A 3 12.439 31.456 51.915 1.00 0.00 H ATOM 34 N ALA A 4 9.244 29.493 50.427 1.00 37.20 N ATOM 35 CA ALA A 4 8.662 29.490 49.093 1.00 35.94 C ATOM 36 C ALA A 4 7.170 29.195 49.196 1.00 35.92 C ATOM 37 O ALA A 4 6.656 28.874 50.274 1.00 36.73 O ATOM 38 CB ALA A 4 9.343 28.431 48.238 1.00 35.51 C ATOM 39 HA ALA A 4 8.806 30.466 48.629 1.00 0.00 H ATOM 40 HB1 ALA A 4 10.408 28.652 48.168 1.00 0.00 H ATOM 41 HB2 ALA A 4 9.204 27.452 48.696 1.00 0.00 H ATOM 42 HB3 ALA A 4 8.903 28.433 47.241 1.00 0.00 H ATOM 43 H ALA A 4 8.740 29.007 51.196 1.00 0.00 H ATOM 44 N ILE A 5 6.470 29.322 48.075 1.00 35.97 N ATOM 45 CA ILE A 5 5.039 29.030 48.044 1.00 35.36 C ATOM 46 C ILE A 5 4.782 28.059 46.890 1.00 33.62 C ATOM 47 O ILE A 5 5.297 28.230 45.784 1.00 32.99 O ATOM 48 CB ILE A 5 4.166 30.310 47.860 1.00 36.38 C ATOM 49 CG1 ILE A 5 4.492 30.977 46.529 1.00 37.55 C ATOM 50 CG2 ILE A 5 4.393 31.291 49.018 1.00 34.78 C ATOM 51 CD1 ILE A 5 5.907 31.507 46.436 1.00 41.09 C ATOM 52 HA ILE A 5 4.755 28.596 49.003 1.00 0.00 H ATOM 53 HB ILE A 5 3.116 30.018 47.861 1.00 0.00 H ATOM 54 HG12 ILE A 5 4.347 30.246 45.734 1.00 0.00 H ATOM 55 HG13 ILE A 5 3.804 31.810 46.385 1.00 0.00 H ATOM 56 HD11 ILE A 5 6.067 32.250 47.217 1.00 0.00 H ATOM 57 HD12 ILE A 5 6.611 30.685 46.565 1.00 0.00 H ATOM 58 HD13 ILE A 5 6.058 31.966 45.459 1.00 0.00 H ATOM 59 HG21 ILE A 5 4.122 30.810 49.958 1.00 0.00 H ATOM 60 HG22 ILE A 5 5.443 31.581 49.046 1.00 0.00 H ATOM 61 HG23 ILE A 5 3.774 32.176 48.869 1.00 0.00 H ATOM 62 H ILE A 5 6.948 29.634 47.206 1.00 0.00 H ATOM 63 N VAL A 6 3.994 27.029 47.175 1.00 31.93 N ATOM 64 CA VAL A 6 3.665 25.996 46.206 1.00 29.90 C ATOM 65 C VAL A 6 2.938 26.541 44.976 1.00 30.51 C ATOM 66 O VAL A 6 1.966 27.286 45.108 1.00 30.70 O ATOM 67 CB VAL A 6 2.781 24.901 46.865 1.00 28.38 C ATOM 68 CG1 VAL A 6 2.673 23.699 45.948 1.00 24.28 C ATOM 69 CG2 VAL A 6 3.357 24.509 48.235 1.00 25.79 C ATOM 70 HA VAL A 6 4.614 25.576 45.874 1.00 0.00 H ATOM 71 HB VAL A 6 1.778 25.296 47.023 1.00 0.00 H ATOM 72 HG11 VAL A 6 2.222 24.004 45.003 1.00 0.00 H ATOM 73 HG12 VAL A 6 3.668 23.294 45.763 1.00 0.00 H ATOM 74 HG13 VAL A 6 2.051 22.938 46.420 1.00 0.00 H ATOM 75 HG21 VAL A 6 4.368 24.123 48.106 1.00 0.00 H ATOM 76 HG22 VAL A 6 3.382 25.386 48.882 1.00 0.00 H ATOM 77 HG23 VAL A 6 2.728 23.741 48.686 1.00 0.00 H ATOM 78 H VAL A 6 3.595 26.958 48.133 1.00 0.00 H ATOM 79 N GLU A 7 3.419 26.179 43.785 1.00 30.49 N ATOM 80 CA GLU A 7 2.785 26.602 42.534 1.00 30.06 C ATOM 81 C GLU A 7 1.970 25.453 41.917 1.00 29.78 C ATOM 82 O GLU A 7 0.931 25.671 41.283 1.00 28.60 O ATOM 83 CB GLU A 7 3.817 27.073 41.518 1.00 27.74 C ATOM 84 CG GLU A 7 3.152 27.496 40.233 1.00 27.01 C ATOM 85 CD GLU A 7 4.130 27.955 39.208 1.00 27.17 C ATOM 86 OE1 GLU A 7 3.681 28.451 38.151 1.00 27.95 O ATOM 87 OE2 GLU A 7 5.346 27.817 39.462 1.00 26.88 O ATOM 88 HA GLU A 7 2.122 27.432 42.779 1.00 0.00 H ATOM 89 HB2 GLU A 7 4.365 27.919 41.932 1.00 0.00 H ATOM 90 HB3 GLU A 7 4.511 26.259 41.310 1.00 0.00 H ATOM 91 HG2 GLU A 7 2.596 26.649 39.831 1.00 0.00 H ATOM 92 HG3 GLU A 7 2.462 28.312 40.448 1.00 0.00 H ATOM 93 H GLU A 7 4.268 25.580 43.744 1.00 0.00 H ATOM 94 N PHE A 8 2.470 24.235 42.089 1.00 28.99 N ATOM 95 CA PHE A 8 1.794 23.050 41.603 1.00 29.73 C ATOM 96 C PHE A 8 1.703 22.058 42.739 1.00 32.22 C ATOM 97 O PHE A 8 2.557 22.044 43.624 1.00 32.73 O ATOM 98 CB PHE A 8 2.547 22.419 40.447 1.00 27.85 C ATOM 99 CG PHE A 8 2.588 23.275 39.225 1.00 27.24 C ATOM 100 CD1 PHE A 8 3.637 24.155 39.016 1.00 24.44 C ATOM 101 CD2 PHE A 8 1.578 23.189 38.272 1.00 25.88 C ATOM 102 CE1 PHE A 8 3.682 24.927 37.879 1.00 25.32 C ATOM 103 CE2 PHE A 8 1.617 23.961 37.132 1.00 25.45 C ATOM 104 CZ PHE A 8 2.673 24.831 36.933 1.00 24.78 C ATOM 105 HA PHE A 8 0.803 23.329 41.246 1.00 0.00 H ATOM 106 HB2 PHE A 8 3.571 22.225 40.767 1.00 0.00 H ATOM 107 HB3 PHE A 8 2.062 21.477 40.192 1.00 0.00 H ATOM 108 HD2 PHE A 8 0.746 22.503 38.429 1.00 0.00 H ATOM 109 HE2 PHE A 8 0.821 23.887 36.392 1.00 0.00 H ATOM 110 HZ PHE A 8 2.712 25.442 36.031 1.00 0.00 H ATOM 111 HE1 PHE A 8 4.512 25.615 37.721 1.00 0.00 H ATOM 112 HD1 PHE A 8 4.432 24.236 39.757 1.00 0.00 H ATOM 113 H PHE A 8 3.376 24.129 42.589 1.00 0.00 H ATOM 114 N ASP A 9 0.661 21.234 42.710 1.00 34.09 N ATOM 115 CA ASP A 9 0.432 20.236 43.741 1.00 34.79 C ATOM 116 C ASP A 9 1.307 19.007 43.573 1.00 34.41 C ATOM 117 O ASP A 9 1.579 18.568 42.452 1.00 33.92 O ATOM 118 CB ASP A 9 -1.038 19.816 43.737 1.00 37.59 C ATOM 119 CG ASP A 9 -1.968 20.982 43.979 1.00 40.21 C ATOM 120 OD1 ASP A 9 -1.784 22.018 43.309 1.00 42.33 O ATOM 121 OD2 ASP A 9 -2.879 20.866 44.826 1.00 42.09 O ATOM 122 HA ASP A 9 0.695 20.696 44.693 1.00 0.00 H ATOM 123 HB2 ASP A 9 -1.274 19.374 42.769 1.00 0.00 H ATOM 124 HB3 ASP A 9 -1.193 19.075 44.521 1.00 0.00 H ATOM 125 H ASP A 9 -0.014 21.306 41.922 1.00 0.00 H ATOM 126 N TYR A 10 1.753 18.462 44.702 1.00 34.72 N ATOM 127 CA TYR A 10 2.570 17.264 44.684 1.00 35.02 C ATOM 128 C TYR A 10 2.271 16.303 45.825 1.00 35.99 C ATOM 129 O TYR A 10 2.375 16.649 47.005 1.00 34.57 O ATOM 130 CB TYR A 10 4.060 17.589 44.712 1.00 34.18 C ATOM 131 CG TYR A 10 4.885 16.330 44.572 1.00 34.25 C ATOM 132 CD1 TYR A 10 5.830 15.974 45.533 1.00 33.80 C ATOM 133 CD2 TYR A 10 4.670 15.455 43.498 1.00 34.41 C ATOM 134 CE1 TYR A 10 6.540 14.773 45.432 1.00 33.73 C ATOM 135 CE2 TYR A 10 5.369 14.260 43.387 1.00 33.07 C ATOM 136 CZ TYR A 10 6.302 13.922 44.356 1.00 33.85 C ATOM 137 OH TYR A 10 6.992 12.737 44.245 1.00 32.31 O ATOM 138 HA TYR A 10 2.309 16.774 43.746 1.00 0.00 H ATOM 139 HB3 TYR A 10 4.303 18.073 45.658 1.00 0.00 H ATOM 140 HB2 TYR A 10 4.295 18.264 43.889 1.00 0.00 H ATOM 141 HD2 TYR A 10 3.939 15.718 42.734 1.00 0.00 H ATOM 142 HE2 TYR A 10 5.186 13.593 42.545 1.00 0.00 H ATOM 143 HE1 TYR A 10 7.275 14.505 46.191 1.00 0.00 H ATOM 144 HD1 TYR A 10 6.018 16.641 46.375 1.00 0.00 H ATOM 145 HH TYR A 10 7.614 12.646 45.010 1.00 0.00 H ATOM 146 H TYR A 10 1.512 18.903 45.613 1.00 0.00 H ATOM 147 N GLN A 11 1.904 15.086 45.440 1.00 37.74 N ATOM 148 CA GLN A 11 1.598 14.011 46.370 1.00 39.51 C ATOM 149 C GLN A 11 2.892 13.241 46.613 1.00 40.30 C ATOM 150 O GLN A 11 3.393 12.566 45.714 1.00 39.09 O ATOM 151 CB GLN A 11 0.537 13.094 45.751 1.00 41.61 C ATOM 152 CG GLN A 11 0.324 11.757 46.443 1.00 43.31 C ATOM 153 CD GLN A 11 -0.034 11.904 47.902 1.00 44.86 C ATOM 154 OE1 GLN A 11 -0.719 12.851 48.294 1.00 45.15 O ATOM 155 NE2 GLN A 11 0.417 10.954 48.718 1.00 46.47 N ATOM 156 HA GLN A 11 1.208 14.398 47.311 1.00 0.00 H ATOM 157 HB2 GLN A 11 -0.413 13.629 45.760 1.00 0.00 H ATOM 158 HB3 GLN A 11 0.830 12.893 44.720 1.00 0.00 H ATOM 159 HG2 GLN A 11 -0.484 11.228 45.938 1.00 0.00 H ATOM 160 HG3 GLN A 11 1.242 11.175 46.366 1.00 0.00 H ATOM 161 HE22 GLN A 11 0.992 10.174 48.340 1.00 0.00 H ATOM 162 HE21 GLN A 11 0.194 10.992 49.733 1.00 0.00 H ATOM 163 H GLN A 11 1.832 14.892 44.421 1.00 0.00 H ATOM 164 N ALA A 12 3.438 13.364 47.822 1.00 42.06 N ATOM 165 CA ALA A 12 4.678 12.681 48.182 1.00 43.44 C ATOM 166 C ALA A 12 4.540 11.183 47.929 1.00 44.10 C ATOM 167 O ALA A 12 3.686 10.526 48.521 1.00 45.25 O ATOM 168 CB ALA A 12 5.007 12.939 49.648 1.00 44.43 C ATOM 169 HA ALA A 12 5.490 13.068 47.566 1.00 0.00 H ATOM 170 HB1 ALA A 12 5.127 14.010 49.809 1.00 0.00 H ATOM 171 HB2 ALA A 12 4.196 12.565 50.272 1.00 0.00 H ATOM 172 HB3 ALA A 12 5.933 12.426 49.907 1.00 0.00 H ATOM 173 H ALA A 12 2.968 13.964 48.530 1.00 0.00 H ATOM 174 N GLN A 13 5.377 10.651 47.041 1.00 44.08 N ATOM 175 CA GLN A 13 5.345 9.231 46.700 1.00 43.82 C ATOM 176 C GLN A 13 6.353 8.429 47.517 1.00 43.76 C ATOM 177 O GLN A 13 6.681 7.303 47.165 1.00 43.79 O ATOM 178 CB GLN A 13 5.635 9.045 45.210 1.00 44.21 C ATOM 179 CG GLN A 13 4.569 9.622 44.285 1.00 46.76 C ATOM 180 CD GLN A 13 5.091 9.894 42.877 1.00 48.89 C ATOM 181 OE1 GLN A 13 5.772 9.058 42.274 1.00 49.76 O ATOM 182 NE2 GLN A 13 4.768 11.069 42.345 1.00 49.55 N ATOM 183 HA GLN A 13 4.347 8.860 46.935 1.00 0.00 H ATOM 184 HB2 GLN A 13 6.583 9.532 44.983 1.00 0.00 H ATOM 185 HB3 GLN A 13 5.719 7.977 45.009 1.00 0.00 H ATOM 186 HG2 GLN A 13 3.744 8.913 44.220 1.00 0.00 H ATOM 187 HG3 GLN A 13 4.209 10.559 44.710 1.00 0.00 H ATOM 188 HE22 GLN A 13 4.192 11.745 42.887 1.00 0.00 H ATOM 189 HE21 GLN A 13 5.091 11.312 41.387 1.00 0.00 H ATOM 190 H GLN A 13 6.075 11.265 46.576 1.00 0.00 H ATOM 191 N HIS A 14 6.843 9.013 48.609 1.00 44.71 N ATOM 192 CA HIS A 14 7.808 8.341 49.473 1.00 44.39 C ATOM 193 C HIS A 14 7.757 8.782 50.922 1.00 43.48 C ATOM 194 O HIS A 14 7.415 9.921 51.238 1.00 44.75 O ATOM 195 CB HIS A 14 9.225 8.544 48.943 1.00 46.23 C ATOM 196 CG HIS A 14 9.498 7.791 47.684 1.00 49.08 C ATOM 197 ND1 HIS A 14 9.581 6.416 47.647 1.00 50.10 N ATOM 198 CD2 HIS A 14 9.650 8.213 46.407 1.00 50.05 C ATOM 199 CE1 HIS A 14 9.771 6.023 46.400 1.00 50.73 C ATOM 200 NE2 HIS A 14 9.817 7.094 45.629 1.00 51.25 N ATOM 201 HA HIS A 14 7.530 7.287 49.453 1.00 0.00 H ATOM 202 HB2 HIS A 14 9.374 9.606 48.750 1.00 0.00 H ATOM 203 HB3 HIS A 14 9.930 8.212 49.705 1.00 0.00 H ATOM 204 HD2 HIS A 14 9.641 9.247 46.061 1.00 0.00 H ATOM 205 HE1 HIS A 14 9.872 4.991 46.065 1.00 0.00 H ATOM 206 H HIS A 14 6.529 9.974 48.853 1.00 0.00 H ATOM 207 N ASP A 15 8.109 7.854 51.797 1.00 42.04 N ATOM 208 CA ASP A 15 8.140 8.089 53.224 1.00 41.34 C ATOM 209 C ASP A 15 8.874 9.382 53.563 1.00 40.37 C ATOM 210 O ASP A 15 8.457 10.114 54.461 1.00 41.92 O ATOM 211 CB ASP A 15 8.843 6.919 53.894 1.00 43.10 C ATOM 212 CG ASP A 15 10.062 6.467 53.113 1.00 44.66 C ATOM 213 OD1 ASP A 15 9.888 5.746 52.104 1.00 45.33 O ATOM 214 OD2 ASP A 15 11.190 6.849 53.493 1.00 45.06 O ATOM 215 HA ASP A 15 7.115 8.182 53.584 1.00 0.00 H ATOM 216 HB2 ASP A 15 9.157 7.222 54.893 1.00 0.00 H ATOM 217 HB3 ASP A 15 8.145 6.086 53.971 1.00 0.00 H ATOM 218 H ASP A 15 8.375 6.913 51.443 1.00 0.00 H ATOM 219 N ASP A 16 9.964 9.663 52.850 1.00 38.30 N ATOM 220 CA ASP A 16 10.754 10.866 53.113 1.00 37.03 C ATOM 221 C ASP A 16 10.415 12.065 52.237 1.00 36.19 C ATOM 222 O ASP A 16 11.175 13.035 52.187 1.00 35.47 O ATOM 223 CB ASP A 16 12.245 10.574 52.964 1.00 35.78 C ATOM 224 CG ASP A 16 12.619 10.216 51.553 1.00 34.62 C ATOM 225 OD1 ASP A 16 13.825 10.273 51.229 1.00 34.46 O ATOM 226 OD2 ASP A 16 11.703 9.873 50.773 1.00 33.21 O ATOM 227 HA ASP A 16 10.497 11.138 54.137 1.00 0.00 H ATOM 228 HB2 ASP A 16 12.807 11.459 53.262 1.00 0.00 H ATOM 229 HB3 ASP A 16 12.506 9.742 53.618 1.00 0.00 H ATOM 230 H ASP A 16 10.259 9.015 52.092 1.00 0.00 H ATOM 231 N GLU A 17 9.282 12.003 51.545 1.00 35.56 N ATOM 232 CA GLU A 17 8.865 13.112 50.694 1.00 35.20 C ATOM 233 C GLU A 17 7.804 13.973 51.367 1.00 34.02 C ATOM 234 O GLU A 17 7.007 13.480 52.165 1.00 35.56 O ATOM 235 CB GLU A 17 8.351 12.594 49.352 1.00 32.83 C ATOM 236 CG GLU A 17 9.450 12.427 48.324 1.00 32.83 C ATOM 237 CD GLU A 17 8.955 11.766 47.057 1.00 32.66 C ATOM 238 OE1 GLU A 17 7.753 11.909 46.751 1.00 31.54 O ATOM 239 OE2 GLU A 17 9.766 11.118 46.362 1.00 31.77 O ATOM 240 HA GLU A 17 9.741 13.738 50.522 1.00 0.00 H ATOM 241 HB2 GLU A 17 7.874 11.627 49.512 1.00 0.00 H ATOM 242 HB3 GLU A 17 7.617 13.300 48.965 1.00 0.00 H ATOM 243 HG2 GLU A 17 9.849 13.410 48.074 1.00 0.00 H ATOM 244 HG3 GLU A 17 10.242 11.813 48.754 1.00 0.00 H ATOM 245 H GLU A 17 8.686 11.154 51.611 1.00 0.00 H ATOM 246 N LEU A 18 7.811 15.263 51.040 1.00 32.32 N ATOM 247 CA LEU A 18 6.869 16.220 51.601 1.00 29.59 C ATOM 248 C LEU A 18 5.735 16.469 50.619 1.00 29.00 C ATOM 249 O LEU A 18 5.966 16.839 49.469 1.00 29.31 O ATOM 250 CB LEU A 18 7.599 17.539 51.907 1.00 29.79 C ATOM 251 CG LEU A 18 7.035 18.686 52.773 1.00 28.67 C ATOM 252 CD1 LEU A 18 6.825 19.898 51.903 1.00 26.03 C ATOM 253 CD2 LEU A 18 5.759 18.280 53.494 1.00 28.35 C ATOM 254 HA LEU A 18 6.452 15.817 52.524 1.00 0.00 H ATOM 255 HB2 LEU A 18 8.535 17.249 52.384 1.00 0.00 H ATOM 256 HB3 LEU A 18 7.811 17.986 50.936 1.00 0.00 H ATOM 257 HG LEU A 18 7.756 18.928 53.554 1.00 0.00 H ATOM 258 HD21 LEU A 18 5.002 18.002 52.761 1.00 0.00 H ATOM 259 HD22 LEU A 18 5.966 17.431 54.145 1.00 0.00 H ATOM 260 HD23 LEU A 18 5.398 19.118 54.091 1.00 0.00 H ATOM 261 HD11 LEU A 18 7.777 20.200 51.466 1.00 0.00 H ATOM 262 HD12 LEU A 18 6.120 19.655 51.108 1.00 0.00 H ATOM 263 HD13 LEU A 18 6.427 20.713 52.507 1.00 0.00 H ATOM 264 H LEU A 18 8.518 15.601 50.356 1.00 0.00 H ATOM 265 N THR A 19 4.506 16.256 51.067 1.00 28.91 N ATOM 266 CA THR A 19 3.362 16.503 50.212 1.00 28.06 C ATOM 267 C THR A 19 3.018 17.987 50.309 1.00 29.05 C ATOM 268 O THR A 19 2.850 18.544 51.394 1.00 28.59 O ATOM 269 CB THR A 19 2.162 15.655 50.627 1.00 26.49 C ATOM 270 OG1 THR A 19 2.482 14.270 50.456 1.00 27.12 O ATOM 271 CG2 THR A 19 0.967 15.986 49.773 1.00 26.14 C ATOM 272 HA THR A 19 3.608 16.230 49.186 1.00 0.00 H ATOM 273 HB THR A 19 1.927 15.864 51.671 1.00 0.00 H ATOM 274 HG1 THR A 19 1.706 13.718 50.724 1.00 0.00 H ATOM 275 HG23 THR A 19 0.715 17.039 49.896 1.00 0.00 H ATOM 276 HG21 THR A 19 1.203 15.787 48.728 1.00 0.00 H ATOM 277 HG22 THR A 19 0.121 15.370 50.079 1.00 0.00 H ATOM 278 H THR A 19 4.362 15.910 52.037 1.00 0.00 H ATOM 279 N ILE A 20 2.920 18.625 49.154 1.00 30.19 N ATOM 280 CA ILE A 20 2.632 20.044 49.099 1.00 30.32 C ATOM 281 C ILE A 20 1.361 20.370 48.307 1.00 30.54 C ATOM 282 O ILE A 20 0.923 19.585 47.461 1.00 29.96 O ATOM 283 CB ILE A 20 3.839 20.761 48.482 1.00 31.38 C ATOM 284 CG1 ILE A 20 4.105 20.207 47.074 1.00 30.32 C ATOM 285 CG2 ILE A 20 5.071 20.526 49.355 1.00 30.82 C ATOM 286 CD1 ILE A 20 5.385 20.706 46.427 1.00 27.99 C ATOM 287 HA ILE A 20 2.451 20.389 50.117 1.00 0.00 H ATOM 288 HB ILE A 20 3.630 21.829 48.420 1.00 0.00 H ATOM 289 HG12 ILE A 20 4.159 19.120 47.141 1.00 0.00 H ATOM 290 HG13 ILE A 20 3.269 20.489 46.434 1.00 0.00 H ATOM 291 HD11 ILE A 20 5.346 21.792 46.337 1.00 0.00 H ATOM 292 HD12 ILE A 20 6.237 20.422 47.044 1.00 0.00 H ATOM 293 HD13 ILE A 20 5.487 20.261 45.437 1.00 0.00 H ATOM 294 HG21 ILE A 20 4.886 20.918 50.355 1.00 0.00 H ATOM 295 HG22 ILE A 20 5.274 19.457 49.415 1.00 0.00 H ATOM 296 HG23 ILE A 20 5.929 21.036 48.916 1.00 0.00 H ATOM 297 H ILE A 20 3.052 18.097 48.268 1.00 0.00 H ATOM 298 N SER A 21 0.769 21.529 48.601 1.00 31.12 N ATOM 299 CA SER A 21 -0.442 21.999 47.925 1.00 30.80 C ATOM 300 C SER A 21 -0.308 23.481 47.583 1.00 31.99 C ATOM 301 O SER A 21 0.212 24.266 48.380 1.00 31.61 O ATOM 302 CB SER A 21 -1.671 21.792 48.806 1.00 32.04 C ATOM 303 OG SER A 21 -2.841 22.249 48.152 1.00 35.47 O ATOM 304 HA SER A 21 -0.565 21.421 47.009 1.00 0.00 H ATOM 305 HB2 SER A 21 -1.542 22.345 49.736 1.00 0.00 H ATOM 306 HB3 SER A 21 -1.777 20.730 49.028 1.00 0.00 H ATOM 307 HG SER A 21 -3.624 22.105 48.740 1.00 0.00 H ATOM 308 H SER A 21 1.186 22.125 49.344 1.00 0.00 H ATOM 309 N VAL A 22 -0.783 23.852 46.393 1.00 32.95 N ATOM 310 CA VAL A 22 -0.709 25.229 45.906 1.00 32.49 C ATOM 311 C VAL A 22 -1.006 26.250 46.991 1.00 31.85 C ATOM 312 O VAL A 22 -1.901 26.058 47.806 1.00 32.69 O ATOM 313 CB VAL A 22 -1.685 25.456 44.712 1.00 33.11 C ATOM 314 CG1 VAL A 22 -1.790 26.941 44.392 1.00 32.99 C ATOM 315 CG2 VAL A 22 -1.187 24.713 43.478 1.00 31.49 C ATOM 316 HA VAL A 22 0.319 25.375 45.575 1.00 0.00 H ATOM 317 HB VAL A 22 -2.667 25.076 44.994 1.00 0.00 H ATOM 318 HG11 VAL A 22 -2.165 27.474 45.266 1.00 0.00 H ATOM 319 HG12 VAL A 22 -0.805 27.325 44.126 1.00 0.00 H ATOM 320 HG13 VAL A 22 -2.475 27.084 43.556 1.00 0.00 H ATOM 321 HG21 VAL A 22 -0.198 25.083 43.207 1.00 0.00 H ATOM 322 HG22 VAL A 22 -1.130 23.647 43.696 1.00 0.00 H ATOM 323 HG23 VAL A 22 -1.878 24.880 42.652 1.00 0.00 H ATOM 324 H VAL A 22 -1.224 23.132 45.786 1.00 0.00 H ATOM 325 N GLY A 23 -0.230 27.327 47.005 1.00 33.19 N ATOM 326 CA GLY A 23 -0.435 28.379 47.989 1.00 33.98 C ATOM 327 C GLY A 23 0.289 28.221 49.315 1.00 33.76 C ATOM 328 O GLY A 23 0.580 29.215 49.988 1.00 34.01 O ATOM 329 HA3 GLY A 23 -1.503 28.432 48.199 1.00 0.00 H ATOM 330 HA2 GLY A 23 -0.107 29.318 47.543 1.00 0.00 H ATOM 331 H GLY A 23 0.533 27.420 46.305 1.00 0.00 H ATOM 332 N GLU A 24 0.577 26.978 49.692 1.00 33.03 N ATOM 333 CA GLU A 24 1.256 26.691 50.950 1.00 31.92 C ATOM 334 C GLU A 24 2.611 27.365 51.051 1.00 30.54 C ATOM 335 O GLU A 24 3.310 27.523 50.055 1.00 29.21 O ATOM 336 CB GLU A 24 1.415 25.179 51.119 1.00 32.30 C ATOM 337 CG GLU A 24 0.105 24.488 51.405 1.00 34.96 C ATOM 338 CD GLU A 24 0.262 23.014 51.710 1.00 37.24 C ATOM 339 OE1 GLU A 24 -0.653 22.457 52.359 1.00 38.96 O ATOM 340 OE2 GLU A 24 1.281 22.412 51.299 1.00 37.12 O ATOM 341 HA GLU A 24 0.636 27.096 51.750 1.00 0.00 H ATOM 342 HB2 GLU A 24 1.835 24.767 50.201 1.00 0.00 H ATOM 343 HB3 GLU A 24 2.098 24.990 51.947 1.00 0.00 H ATOM 344 HG2 GLU A 24 -0.362 24.972 52.263 1.00 0.00 H ATOM 345 HG3 GLU A 24 -0.541 24.595 50.533 1.00 0.00 H ATOM 346 H GLU A 24 0.310 26.188 49.071 1.00 0.00 H ATOM 347 N ILE A 25 2.974 27.778 52.260 1.00 29.88 N ATOM 348 CA ILE A 25 4.261 28.416 52.475 1.00 29.46 C ATOM 349 C ILE A 25 5.237 27.341 52.925 1.00 29.41 C ATOM 350 O ILE A 25 5.001 26.631 53.903 1.00 28.83 O ATOM 351 CB ILE A 25 4.189 29.505 53.561 1.00 29.74 C ATOM 352 CG1 ILE A 25 3.016 30.444 53.286 1.00 29.98 C ATOM 353 CG2 ILE A 25 5.484 30.313 53.571 1.00 31.28 C ATOM 354 CD1 ILE A 25 3.170 31.296 52.037 1.00 30.66 C ATOM 355 HA ILE A 25 4.577 28.893 51.547 1.00 0.00 H ATOM 356 HB ILE A 25 4.049 29.024 54.529 1.00 0.00 H ATOM 357 HG12 ILE A 25 2.115 29.841 53.178 1.00 0.00 H ATOM 358 HG13 ILE A 25 2.905 31.110 54.141 1.00 0.00 H ATOM 359 HD11 ILE A 25 4.060 31.918 52.131 1.00 0.00 H ATOM 360 HD12 ILE A 25 3.269 30.648 51.166 1.00 0.00 H ATOM 361 HD13 ILE A 25 2.292 31.931 51.921 1.00 0.00 H ATOM 362 HG21 ILE A 25 6.323 29.650 53.781 1.00 0.00 H ATOM 363 HG22 ILE A 25 5.625 30.783 52.598 1.00 0.00 H ATOM 364 HG23 ILE A 25 5.425 31.081 54.342 1.00 0.00 H ATOM 365 H ILE A 25 2.328 27.643 53.064 1.00 0.00 H ATOM 366 N ILE A 26 6.326 27.206 52.186 1.00 30.45 N ATOM 367 CA ILE A 26 7.344 26.225 52.511 1.00 30.81 C ATOM 368 C ILE A 26 8.477 26.989 53.163 1.00 31.94 C ATOM 369 O ILE A 26 8.967 27.977 52.617 1.00 31.09 O ATOM 370 CB ILE A 26 7.923 25.549 51.261 1.00 30.60 C ATOM 371 CG1 ILE A 26 6.800 25.057 50.345 1.00 31.05 C ATOM 372 CG2 ILE A 26 8.854 24.423 51.690 1.00 30.51 C ATOM 373 CD1 ILE A 26 5.969 23.956 50.925 1.00 31.10 C ATOM 374 HA ILE A 26 6.903 25.455 53.144 1.00 0.00 H ATOM 375 HB ILE A 26 8.503 26.269 50.683 1.00 0.00 H ATOM 376 HG12 ILE A 26 6.145 25.900 50.125 1.00 0.00 H ATOM 377 HG13 ILE A 26 7.248 24.695 49.419 1.00 0.00 H ATOM 378 HD11 ILE A 26 6.605 23.097 51.140 1.00 0.00 H ATOM 379 HD12 ILE A 26 5.501 24.303 51.846 1.00 0.00 H ATOM 380 HD13 ILE A 26 5.198 23.669 50.210 1.00 0.00 H ATOM 381 HG21 ILE A 26 9.663 24.833 52.294 1.00 0.00 H ATOM 382 HG22 ILE A 26 8.294 23.694 52.276 1.00 0.00 H ATOM 383 HG23 ILE A 26 9.268 23.939 50.806 1.00 0.00 H ATOM 384 H ILE A 26 6.455 27.816 51.354 1.00 0.00 H ATOM 385 N THR A 27 8.913 26.531 54.323 1.00 33.87 N ATOM 386 CA THR A 27 9.985 27.237 54.988 1.00 35.14 C ATOM 387 C THR A 27 11.106 26.316 55.450 1.00 34.93 C ATOM 388 O THR A 27 10.987 25.087 55.408 1.00 33.14 O ATOM 389 CB THR A 27 9.437 28.014 56.184 1.00 36.93 C ATOM 390 OG1 THR A 27 10.461 28.868 56.714 1.00 38.77 O ATOM 391 CG2 THR A 27 8.954 27.043 57.254 1.00 38.72 C ATOM 392 HA THR A 27 10.411 27.922 54.255 1.00 0.00 H ATOM 393 HB THR A 27 8.596 28.628 55.862 1.00 0.00 H ATOM 394 HG1 THR A 27 10.754 29.504 56.014 1.00 0.00 H ATOM 395 HG23 THR A 27 8.177 26.402 56.837 1.00 0.00 H ATOM 396 HG21 THR A 27 9.790 26.431 57.591 1.00 0.00 H ATOM 397 HG22 THR A 27 8.550 27.604 58.097 1.00 0.00 H ATOM 398 H THR A 27 8.494 25.680 54.749 1.00 0.00 H ATOM 399 N ASN A 28 12.199 26.931 55.885 1.00 35.20 N ATOM 400 CA ASN A 28 13.348 26.184 56.366 1.00 37.30 C ATOM 401 C ASN A 28 13.840 25.308 55.244 1.00 36.47 C ATOM 402 O ASN A 28 14.428 24.256 55.468 1.00 37.25 O ATOM 403 CB ASN A 28 12.942 25.325 57.559 1.00 37.89 C ATOM 404 CG ASN A 28 12.435 26.153 58.716 1.00 38.91 C ATOM 405 OD1 ASN A 28 11.841 25.624 59.655 1.00 39.70 O ATOM 406 ND2 ASN A 28 12.672 27.464 58.660 1.00 39.12 N ATOM 407 HA ASN A 28 14.137 26.865 56.684 1.00 0.00 H ATOM 408 HB2 ASN A 28 12.154 24.640 57.246 1.00 0.00 H ATOM 409 HB3 ASN A 28 13.809 24.753 57.890 1.00 0.00 H ATOM 410 HD22 ASN A 28 13.178 27.867 57.846 1.00 0.00 H ATOM 411 HD21 ASN A 28 12.351 28.084 59.431 1.00 0.00 H ATOM 412 H ASN A 28 12.233 27.970 55.881 1.00 0.00 H ATOM 413 N ILE A 29 13.586 25.756 54.026 1.00 36.99 N ATOM 414 CA ILE A 29 13.993 25.016 52.850 1.00 36.31 C ATOM 415 C ILE A 29 15.504 25.018 52.710 1.00 36.88 C ATOM 416 O ILE A 29 16.148 26.067 52.804 1.00 35.42 O ATOM 417 CB ILE A 29 13.420 25.643 51.571 1.00 35.68 C ATOM 418 CG1 ILE A 29 11.907 25.804 51.691 1.00 31.07 C ATOM 419 CG2 ILE A 29 13.780 24.780 50.373 1.00 36.45 C ATOM 420 CD1 ILE A 29 11.341 26.696 50.639 1.00 29.13 C ATOM 421 HA ILE A 29 13.617 24.001 52.975 1.00 0.00 H ATOM 422 HB ILE A 29 13.854 26.633 51.431 1.00 0.00 H ATOM 423 HG12 ILE A 29 11.443 24.822 51.603 1.00 0.00 H ATOM 424 HG13 ILE A 29 11.677 26.227 52.669 1.00 0.00 H ATOM 425 HD11 ILE A 29 11.791 27.685 50.722 1.00 0.00 H ATOM 426 HD12 ILE A 29 11.557 26.278 49.656 1.00 0.00 H ATOM 427 HD13 ILE A 29 10.262 26.774 50.773 1.00 0.00 H ATOM 428 HG21 ILE A 29 14.865 24.712 50.289 1.00 0.00 H ATOM 429 HG22 ILE A 29 13.361 23.782 50.506 1.00 0.00 H ATOM 430 HG23 ILE A 29 13.371 25.229 49.468 1.00 0.00 H ATOM 431 H ILE A 29 13.083 26.659 53.910 1.00 0.00 H ATOM 432 N ARG A 30 16.070 23.838 52.502 1.00 37.66 N ATOM 433 CA ARG A 30 17.503 23.742 52.280 1.00 39.90 C ATOM 434 C ARG A 30 17.640 23.124 50.892 1.00 39.50 C ATOM 435 O ARG A 30 17.127 22.037 50.620 1.00 37.78 O ATOM 436 CB ARG A 30 18.190 22.907 53.373 1.00 40.97 C ATOM 437 CG ARG A 30 17.825 21.451 53.442 1.00 44.63 C ATOM 438 CD ARG A 30 18.296 20.857 54.769 1.00 47.50 C ATOM 439 NE ARG A 30 19.712 21.109 55.069 1.00 49.47 N ATOM 440 CZ ARG A 30 20.742 20.562 54.425 1.00 48.59 C ATOM 441 NH1 ARG A 30 20.541 19.720 53.420 1.00 48.96 N ATOM 442 NH2 ARG A 30 21.981 20.844 54.806 1.00 48.55 N ATOM 443 HA ARG A 30 17.997 24.712 52.331 1.00 0.00 H ATOM 444 HB2 ARG A 30 19.266 22.970 53.210 1.00 0.00 H ATOM 445 HB3 ARG A 30 17.943 23.355 54.335 1.00 0.00 H ATOM 446 HG2 ARG A 30 16.743 21.346 53.363 1.00 0.00 H ATOM 447 HG3 ARG A 30 18.302 20.919 52.619 1.00 0.00 H ATOM 448 HD2 ARG A 30 18.139 19.779 54.737 1.00 0.00 H ATOM 449 HD3 ARG A 30 17.694 21.287 55.570 1.00 0.00 H ATOM 450 HE ARG A 30 19.927 21.766 55.846 1.00 0.00 H ATOM 451 HH12 ARG A 30 21.352 19.299 52.924 1.00 0.00 H ATOM 452 HH11 ARG A 30 19.572 19.481 53.128 1.00 0.00 H ATOM 453 HH22 ARG A 30 22.788 20.419 54.306 1.00 0.00 H ATOM 454 HH21 ARG A 30 22.145 21.490 55.604 1.00 0.00 H ATOM 455 H ARG A 30 15.486 22.977 52.498 1.00 0.00 H ATOM 456 N LYS A 31 18.305 23.861 50.009 1.00 40.39 N ATOM 457 CA LYS A 31 18.489 23.458 48.621 1.00 41.66 C ATOM 458 C LYS A 31 19.537 22.370 48.379 1.00 42.18 C ATOM 459 O LYS A 31 20.354 22.078 49.252 1.00 43.28 O ATOM 460 CB LYS A 31 18.809 24.701 47.783 1.00 41.54 C ATOM 461 CG LYS A 31 17.744 25.795 47.874 1.00 39.88 C ATOM 462 CD LYS A 31 18.078 26.965 46.966 1.00 39.94 C ATOM 463 CE LYS A 31 17.091 28.119 47.127 1.00 39.51 C ATOM 464 NZ LYS A 31 17.470 29.291 46.277 1.00 38.87 N ATOM 465 HA LYS A 31 17.549 22.997 48.318 1.00 0.00 H ATOM 466 HB2 LYS A 31 19.757 25.114 48.128 1.00 0.00 H ATOM 467 HB3 LYS A 31 18.904 24.398 46.740 1.00 0.00 H ATOM 468 HG2 LYS A 31 16.781 25.379 47.578 1.00 0.00 H ATOM 469 HG3 LYS A 31 17.685 26.149 48.903 1.00 0.00 H ATOM 470 HD2 LYS A 31 19.079 27.322 47.207 1.00 0.00 H ATOM 471 HD3 LYS A 31 18.055 26.624 45.931 1.00 0.00 H ATOM 472 HE2 LYS A 31 17.077 28.429 48.172 1.00 0.00 H ATOM 473 HE3 LYS A 31 16.097 27.778 46.837 1.00 0.00 H ATOM 474 HZ1 LYS A 31 18.415 29.626 46.552 1.00 0.00 H ATOM 475 HZ2 LYS A 31 17.480 29.004 45.277 1.00 0.00 H ATOM 476 HZ3 LYS A 31 16.777 30.055 46.413 1.00 0.00 H ATOM 477 H LYS A 31 18.712 24.765 50.322 1.00 0.00 H ATOM 478 N GLU A 32 19.497 21.776 47.186 1.00 41.95 N ATOM 479 CA GLU A 32 20.417 20.709 46.791 1.00 41.66 C ATOM 480 C GLU A 32 20.116 20.369 45.332 1.00 42.58 C ATOM 481 O GLU A 32 18.981 20.020 45.012 1.00 44.43 O ATOM 482 CB GLU A 32 20.177 19.473 47.660 1.00 40.52 C ATOM 483 CG GLU A 32 21.122 18.313 47.404 1.00 38.95 C ATOM 484 CD GLU A 32 22.257 18.257 48.402 1.00 38.17 C ATOM 485 OE1 GLU A 32 23.077 17.321 48.312 1.00 37.76 O ATOM 486 OE2 GLU A 32 22.328 19.144 49.280 1.00 37.11 O ATOM 487 HA GLU A 32 21.452 21.026 46.914 1.00 0.00 H ATOM 488 HB2 GLU A 32 20.280 19.769 48.704 1.00 0.00 H ATOM 489 HB3 GLU A 32 19.159 19.126 47.481 1.00 0.00 H ATOM 490 HG2 GLU A 32 20.557 17.383 47.464 1.00 0.00 H ATOM 491 HG3 GLU A 32 21.541 18.418 46.403 1.00 0.00 H ATOM 492 H GLU A 32 18.777 22.086 46.503 1.00 0.00 H ATOM 493 N ASP A 33 21.117 20.468 44.452 1.00 42.66 N ATOM 494 CA ASP A 33 20.941 20.178 43.018 1.00 41.54 C ATOM 495 C ASP A 33 20.198 18.878 42.713 1.00 38.73 C ATOM 496 O ASP A 33 20.198 17.945 43.515 1.00 38.40 O ATOM 497 CB ASP A 33 22.297 20.121 42.296 1.00 46.33 C ATOM 498 CG ASP A 33 22.916 21.491 42.084 1.00 50.54 C ATOM 499 OD1 ASP A 33 23.748 21.632 41.150 1.00 52.89 O ATOM 500 OD2 ASP A 33 22.576 22.419 42.851 1.00 52.18 O ATOM 501 HA ASP A 33 20.326 21.002 42.656 1.00 0.00 H ATOM 502 HB2 ASP A 33 22.983 19.518 42.892 1.00 0.00 H ATOM 503 HB3 ASP A 33 22.153 19.651 41.323 1.00 0.00 H ATOM 504 H ASP A 33 22.055 20.761 44.792 1.00 0.00 H ATOM 505 N GLY A 34 19.574 18.815 41.542 1.00 35.66 N ATOM 506 CA GLY A 34 18.875 17.601 41.174 1.00 34.25 C ATOM 507 C GLY A 34 17.374 17.692 40.995 1.00 32.88 C ATOM 508 O GLY A 34 16.766 16.796 40.406 1.00 33.54 O ATOM 509 HA3 GLY A 34 19.068 16.863 41.952 1.00 0.00 H ATOM 510 HA2 GLY A 34 19.297 17.253 40.231 1.00 0.00 H ATOM 511 H GLY A 34 19.587 19.630 40.896 1.00 0.00 H ATOM 512 N GLY A 35 16.764 18.751 41.510 1.00 31.25 N ATOM 513 CA GLY A 35 15.327 18.899 41.358 1.00 29.64 C ATOM 514 C GLY A 35 14.501 18.639 42.601 1.00 26.82 C ATOM 515 O GLY A 35 13.280 18.529 42.532 1.00 26.39 O ATOM 516 HA3 GLY A 35 14.999 18.202 40.587 1.00 0.00 H ATOM 517 HA2 GLY A 35 15.129 19.920 41.032 1.00 0.00 H ATOM 518 H GLY A 35 17.312 19.472 42.021 1.00 0.00 H ATOM 519 N TRP A 36 15.156 18.537 43.747 1.00 26.64 N ATOM 520 CA TRP A 36 14.435 18.289 44.986 1.00 25.46 C ATOM 521 C TRP A 36 14.964 19.169 46.119 1.00 24.96 C ATOM 522 O TRP A 36 16.175 19.355 46.264 1.00 23.65 O ATOM 523 CB TRP A 36 14.528 16.796 45.378 1.00 22.84 C ATOM 524 CG TRP A 36 13.855 15.871 44.397 1.00 19.99 C ATOM 525 CD1 TRP A 36 14.336 15.468 43.184 1.00 19.21 C ATOM 526 CD2 TRP A 36 12.525 15.334 44.496 1.00 18.99 C ATOM 527 NE1 TRP A 36 13.386 14.728 42.517 1.00 19.78 N ATOM 528 CE2 TRP A 36 12.266 14.631 43.302 1.00 17.07 C ATOM 529 CE3 TRP A 36 11.525 15.387 45.479 1.00 17.63 C ATOM 530 CZ2 TRP A 36 11.050 13.986 43.062 1.00 18.64 C ATOM 531 CZ3 TRP A 36 10.314 14.745 45.237 1.00 17.27 C ATOM 532 CH2 TRP A 36 10.089 14.055 44.039 1.00 16.46 C ATOM 533 HA TRP A 36 13.388 18.544 44.820 1.00 0.00 H ATOM 534 HB2 TRP A 36 15.581 16.522 45.444 1.00 0.00 H ATOM 535 HB3 TRP A 36 14.058 16.666 46.353 1.00 0.00 H ATOM 536 HE1 TRP A 36 13.499 14.310 41.571 1.00 0.00 H ATOM 537 HD1 TRP A 36 15.329 15.699 42.799 1.00 0.00 H ATOM 538 HZ2 TRP A 36 10.871 13.447 42.132 1.00 0.00 H ATOM 539 HH2 TRP A 36 9.130 13.562 43.879 1.00 0.00 H ATOM 540 HZ3 TRP A 36 9.528 14.780 45.992 1.00 0.00 H ATOM 541 HE3 TRP A 36 11.693 15.921 46.414 1.00 0.00 H ATOM 542 H TRP A 36 16.191 18.635 43.762 1.00 0.00 H ATOM 543 N TRP A 37 14.045 19.744 46.888 1.00 24.74 N ATOM 544 CA TRP A 37 14.419 20.567 48.027 1.00 27.43 C ATOM 545 C TRP A 37 13.760 19.970 49.267 1.00 27.82 C ATOM 546 O TRP A 37 12.793 19.211 49.169 1.00 25.95 O ATOM 547 CB TRP A 37 13.962 22.040 47.856 1.00 29.02 C ATOM 548 CG TRP A 37 14.822 22.895 46.928 1.00 29.06 C ATOM 549 CD1 TRP A 37 16.063 22.587 46.438 1.00 29.77 C ATOM 550 CD2 TRP A 37 14.479 24.176 46.361 1.00 30.48 C ATOM 551 NE1 TRP A 37 16.507 23.586 45.598 1.00 30.38 N ATOM 552 CE2 TRP A 37 15.557 24.571 45.531 1.00 30.09 C ATOM 553 CE3 TRP A 37 13.364 25.025 46.469 1.00 30.10 C ATOM 554 CZ2 TRP A 37 15.551 25.778 44.811 1.00 29.57 C ATOM 555 CZ3 TRP A 37 13.363 26.229 45.749 1.00 27.50 C ATOM 556 CH2 TRP A 37 14.449 26.588 44.932 1.00 26.90 C ATOM 557 HA TRP A 37 15.505 20.576 48.116 1.00 0.00 H ATOM 558 HB2 TRP A 37 12.947 22.032 47.460 1.00 0.00 H ATOM 559 HB3 TRP A 37 13.963 22.508 48.840 1.00 0.00 H ATOM 560 HE1 TRP A 37 17.418 23.591 45.096 1.00 0.00 H ATOM 561 HD1 TRP A 37 16.620 21.681 46.678 1.00 0.00 H ATOM 562 HZ2 TRP A 37 16.392 26.061 44.178 1.00 0.00 H ATOM 563 HH2 TRP A 37 14.416 27.529 44.383 1.00 0.00 H ATOM 564 HZ3 TRP A 37 12.505 26.898 45.824 1.00 0.00 H ATOM 565 HE3 TRP A 37 12.517 24.753 47.099 1.00 0.00 H ATOM 566 H TRP A 37 13.038 19.602 46.671 1.00 0.00 H ATOM 567 N GLU A 38 14.314 20.302 50.430 1.00 30.75 N ATOM 568 CA GLU A 38 13.786 19.857 51.712 1.00 30.99 C ATOM 569 C GLU A 38 13.277 21.111 52.413 1.00 32.48 C ATOM 570 O GLU A 38 14.020 22.080 52.627 1.00 30.74 O ATOM 571 CB GLU A 38 14.879 19.204 52.538 1.00 34.01 C ATOM 572 CG GLU A 38 14.476 18.892 53.961 1.00 39.14 C ATOM 573 CD GLU A 38 15.608 18.252 54.743 1.00 42.44 C ATOM 574 OE1 GLU A 38 15.978 17.105 54.409 1.00 45.00 O ATOM 575 OE2 GLU A 38 16.132 18.897 55.680 1.00 43.75 O ATOM 576 HA GLU A 38 12.994 19.119 51.581 1.00 0.00 H ATOM 577 HB2 GLU A 38 15.165 18.272 52.051 1.00 0.00 H ATOM 578 HB3 GLU A 38 15.736 19.877 52.565 1.00 0.00 H ATOM 579 HG2 GLU A 38 14.185 19.818 54.456 1.00 0.00 H ATOM 580 HG3 GLU A 38 13.628 18.208 53.945 1.00 0.00 H ATOM 581 H GLU A 38 15.161 20.906 50.423 1.00 0.00 H ATOM 582 N GLY A 39 11.995 21.097 52.744 1.00 33.24 N ATOM 583 CA GLY A 39 11.404 22.246 53.390 1.00 34.58 C ATOM 584 C GLY A 39 10.331 21.818 54.351 1.00 35.34 C ATOM 585 O GLY A 39 10.137 20.625 54.592 1.00 34.06 O ATOM 586 HA3 GLY A 39 10.968 22.898 52.633 1.00 0.00 H ATOM 587 HA2 GLY A 39 12.177 22.789 53.934 1.00 0.00 H ATOM 588 H GLY A 39 11.414 20.259 52.539 1.00 0.00 H ATOM 589 N GLN A 40 9.610 22.793 54.886 1.00 37.24 N ATOM 590 CA GLN A 40 8.579 22.481 55.842 1.00 38.76 C ATOM 591 C GLN A 40 7.279 23.251 55.707 1.00 39.70 C ATOM 592 O GLN A 40 7.270 24.448 55.409 1.00 39.22 O ATOM 593 CB GLN A 40 9.141 22.673 57.243 1.00 40.32 C ATOM 594 CG GLN A 40 8.136 22.461 58.347 1.00 44.20 C ATOM 595 CD GLN A 40 8.799 22.287 59.694 1.00 46.20 C ATOM 596 OE1 GLN A 40 9.737 23.008 60.028 1.00 47.06 O ATOM 597 NE2 GLN A 40 8.311 21.329 60.481 1.00 48.08 N ATOM 598 HA GLN A 40 8.301 21.447 55.638 1.00 0.00 H ATOM 599 HB2 GLN A 40 9.958 21.965 57.384 1.00 0.00 H ATOM 600 HB3 GLN A 40 9.525 23.690 57.321 1.00 0.00 H ATOM 601 HG2 GLN A 40 7.473 23.325 58.390 1.00 0.00 H ATOM 602 HG3 GLN A 40 7.552 21.568 58.124 1.00 0.00 H ATOM 603 HE22 GLN A 40 7.516 20.743 60.155 1.00 0.00 H ATOM 604 HE21 GLN A 40 8.725 21.167 61.421 1.00 0.00 H ATOM 605 H GLN A 40 9.788 23.781 54.616 1.00 0.00 H ATOM 606 N ILE A 41 6.186 22.521 55.924 1.00 40.88 N ATOM 607 CA ILE A 41 4.825 23.053 55.912 1.00 41.69 C ATOM 608 C ILE A 41 4.238 22.501 57.202 1.00 43.78 C ATOM 609 O ILE A 41 4.419 21.318 57.495 1.00 43.53 O ATOM 610 CB ILE A 41 3.964 22.488 54.774 1.00 40.01 C ATOM 611 CG1 ILE A 41 4.666 22.679 53.431 1.00 40.08 C ATOM 612 CG2 ILE A 41 2.601 23.178 54.779 1.00 37.69 C ATOM 613 CD1 ILE A 41 4.026 21.888 52.296 1.00 39.23 C ATOM 614 HA ILE A 41 4.840 24.137 55.798 1.00 0.00 H ATOM 615 HB ILE A 41 3.819 21.419 54.926 1.00 0.00 H ATOM 616 HG12 ILE A 41 4.638 23.738 53.174 1.00 0.00 H ATOM 617 HG13 ILE A 41 5.703 22.359 53.534 1.00 0.00 H ATOM 618 HD11 ILE A 41 4.056 20.825 52.534 1.00 0.00 H ATOM 619 HD12 ILE A 41 2.990 22.205 52.173 1.00 0.00 H ATOM 620 HD13 ILE A 41 4.575 22.071 51.373 1.00 0.00 H ATOM 621 HG21 ILE A 41 2.107 22.998 55.734 1.00 0.00 H ATOM 622 HG22 ILE A 41 2.737 24.250 54.636 1.00 0.00 H ATOM 623 HG23 ILE A 41 1.989 22.777 53.971 1.00 0.00 H ATOM 624 H ILE A 41 6.309 21.506 56.114 1.00 0.00 H ATOM 625 N ASN A 42 3.530 23.338 57.958 1.00 46.41 N ATOM 626 CA ASN A 42 2.930 22.912 59.229 1.00 49.51 C ATOM 627 C ASN A 42 4.031 22.323 60.110 1.00 49.83 C ATOM 628 O ASN A 42 5.063 22.955 60.368 1.00 50.12 O ATOM 629 CB ASN A 42 1.863 21.821 59.013 1.00 52.00 C ATOM 630 CG ASN A 42 0.684 22.294 58.189 1.00 53.45 C ATOM 631 OD1 ASN A 42 0.046 23.296 58.518 1.00 53.62 O ATOM 632 ND2 ASN A 42 0.375 21.560 57.118 1.00 53.37 N ATOM 633 HA ASN A 42 2.459 23.779 59.692 1.00 0.00 H ATOM 634 HB2 ASN A 42 2.328 20.978 58.501 1.00 0.00 H ATOM 635 HB3 ASN A 42 1.497 21.496 59.987 1.00 0.00 H ATOM 636 HD22 ASN A 42 0.943 20.722 56.880 1.00 0.00 H ATOM 637 HD21 ASN A 42 -0.434 21.826 56.521 1.00 0.00 H ATOM 638 H ASN A 42 3.398 24.319 57.640 1.00 0.00 H ATOM 639 N GLY A 43 3.792 21.097 60.564 1.00 49.21 N ATOM 640 CA GLY A 43 4.766 20.406 61.376 1.00 48.65 C ATOM 641 C GLY A 43 5.419 19.332 60.530 1.00 48.67 C ATOM 642 O GLY A 43 6.252 18.568 61.023 1.00 48.65 O ATOM 643 HA3 GLY A 43 4.273 19.950 62.234 1.00 0.00 H ATOM 644 HA2 GLY A 43 5.521 21.110 61.725 1.00 0.00 H ATOM 645 H GLY A 43 2.893 20.630 60.332 1.00 0.00 H ATOM 646 N ARG A 44 5.047 19.278 59.250 1.00 48.84 N ATOM 647 CA ARG A 44 5.600 18.281 58.343 1.00 48.08 C ATOM 648 C ARG A 44 6.753 18.783 57.492 1.00 46.85 C ATOM 649 O ARG A 44 6.737 19.910 56.995 1.00 47.26 O ATOM 650 CB ARG A 44 4.503 17.698 57.447 1.00 49.19 C ATOM 651 CG ARG A 44 4.490 16.175 57.506 1.00 52.73 C ATOM 652 CD ARG A 44 3.306 15.533 56.801 1.00 55.98 C ATOM 653 NE ARG A 44 3.283 14.082 57.015 1.00 58.80 N ATOM 654 CZ ARG A 44 4.262 13.246 56.665 1.00 60.56 C ATOM 655 NH1 ARG A 44 5.364 13.704 56.073 1.00 61.62 N ATOM 656 NH2 ARG A 44 4.143 11.946 56.911 1.00 60.13 N ATOM 657 HA ARG A 44 6.013 17.503 58.985 1.00 0.00 H ATOM 658 HB2 ARG A 44 3.536 18.075 57.779 1.00 0.00 H ATOM 659 HB3 ARG A 44 4.680 18.012 56.418 1.00 0.00 H ATOM 660 HG2 ARG A 44 5.405 15.807 57.042 1.00 0.00 H ATOM 661 HG3 ARG A 44 4.469 15.874 58.553 1.00 0.00 H ATOM 662 HD2 ARG A 44 3.377 15.734 55.732 1.00 0.00 H ATOM 663 HD3 ARG A 44 2.384 15.965 57.190 1.00 0.00 H ATOM 664 HE ARG A 44 2.442 13.675 57.473 1.00 0.00 H ATOM 665 HH12 ARG A 44 6.122 13.045 55.804 1.00 0.00 H ATOM 666 HH11 ARG A 44 5.466 14.721 55.880 1.00 0.00 H ATOM 667 HH22 ARG A 44 4.905 11.293 56.639 1.00 0.00 H ATOM 668 HH21 ARG A 44 3.287 11.581 57.376 1.00 0.00 H ATOM 669 H ARG A 44 4.349 19.961 58.893 1.00 0.00 H ATOM 670 N ARG A 45 7.764 17.929 57.356 1.00 45.62 N ATOM 671 CA ARG A 45 8.950 18.230 56.569 1.00 45.20 C ATOM 672 C ARG A 45 9.222 17.062 55.631 1.00 43.09 C ATOM 673 O ARG A 45 8.820 15.928 55.900 1.00 42.46 O ATOM 674 CB ARG A 45 10.164 18.448 57.478 1.00 47.29 C ATOM 675 CG ARG A 45 11.447 18.754 56.707 1.00 50.67 C ATOM 676 CD ARG A 45 12.618 19.064 57.633 1.00 53.09 C ATOM 677 NE ARG A 45 13.724 19.710 56.924 1.00 55.84 N ATOM 678 CZ ARG A 45 13.642 20.897 56.321 1.00 56.47 C ATOM 679 NH1 ARG A 45 12.503 21.581 56.333 1.00 56.68 N ATOM 680 NH2 ARG A 45 14.703 21.404 55.704 1.00 57.34 N ATOM 681 HA ARG A 45 8.779 19.144 56.000 1.00 0.00 H ATOM 682 HB2 ARG A 45 9.952 19.284 58.144 1.00 0.00 H ATOM 683 HB3 ARG A 45 10.321 17.545 58.068 1.00 0.00 H ATOM 684 HG2 ARG A 45 11.703 17.889 56.095 1.00 0.00 H ATOM 685 HG3 ARG A 45 11.272 19.615 56.062 1.00 0.00 H ATOM 686 HD2 ARG A 45 12.977 18.132 58.070 1.00 0.00 H ATOM 687 HD3 ARG A 45 12.273 19.727 58.426 1.00 0.00 H ATOM 688 HE ARG A 45 14.635 19.210 56.888 1.00 0.00 H ATOM 689 HH12 ARG A 45 12.447 22.506 55.861 1.00 0.00 H ATOM 690 HH11 ARG A 45 11.668 21.192 56.815 1.00 0.00 H ATOM 691 HH22 ARG A 45 14.638 22.330 55.234 1.00 0.00 H ATOM 692 HH21 ARG A 45 15.599 20.876 55.691 1.00 0.00 H ATOM 693 H ARG A 45 7.704 17.007 57.833 1.00 0.00 H ATOM 694 N GLY A 46 9.908 17.341 54.531 1.00 40.49 N ATOM 695 CA GLY A 46 10.208 16.291 53.579 1.00 37.13 C ATOM 696 C GLY A 46 10.798 16.852 52.308 1.00 34.50 C ATOM 697 O GLY A 46 11.082 18.044 52.216 1.00 33.39 O ATOM 698 HA3 GLY A 46 9.289 15.757 53.338 1.00 0.00 H ATOM 699 HA2 GLY A 46 10.922 15.599 54.027 1.00 0.00 H ATOM 700 H GLY A 46 10.231 18.313 54.352 1.00 0.00 H ATOM 701 N LEU A 47 10.990 15.982 51.327 1.00 33.56 N ATOM 702 CA LEU A 47 11.552 16.391 50.049 1.00 31.58 C ATOM 703 C LEU A 47 10.452 16.612 49.028 1.00 30.13 C ATOM 704 O LEU A 47 9.510 15.823 48.934 1.00 28.69 O ATOM 705 CB LEU A 47 12.520 15.329 49.526 1.00 31.05 C ATOM 706 CG LEU A 47 13.911 15.322 50.152 1.00 31.21 C ATOM 707 CD1 LEU A 47 14.697 14.164 49.593 1.00 32.68 C ATOM 708 CD2 LEU A 47 14.615 16.636 49.857 1.00 31.38 C ATOM 709 HA LEU A 47 12.091 17.326 50.203 1.00 0.00 H ATOM 710 HB2 LEU A 47 12.070 14.352 49.703 1.00 0.00 H ATOM 711 HB3 LEU A 47 12.638 15.485 48.454 1.00 0.00 H ATOM 712 HG LEU A 47 13.830 15.210 51.233 1.00 0.00 H ATOM 713 HD21 LEU A 47 14.705 16.764 48.778 1.00 0.00 H ATOM 714 HD22 LEU A 47 14.035 17.459 50.275 1.00 0.00 H ATOM 715 HD23 LEU A 47 15.608 16.624 50.307 1.00 0.00 H ATOM 716 HD11 LEU A 47 14.184 13.231 49.827 1.00 0.00 H ATOM 717 HD12 LEU A 47 14.781 14.272 48.512 1.00 0.00 H ATOM 718 HD13 LEU A 47 15.692 14.154 50.037 1.00 0.00 H ATOM 719 H LEU A 47 10.733 14.985 51.474 1.00 0.00 H ATOM 720 N PHE A 48 10.583 17.686 48.258 1.00 28.45 N ATOM 721 CA PHE A 48 9.602 18.013 47.233 1.00 27.55 C ATOM 722 C PHE A 48 10.341 18.589 46.022 1.00 26.06 C ATOM 723 O PHE A 48 11.441 19.127 46.163 1.00 25.48 O ATOM 724 CB PHE A 48 8.628 19.047 47.791 1.00 27.41 C ATOM 725 CG PHE A 48 9.297 20.322 48.197 1.00 28.00 C ATOM 726 CD1 PHE A 48 9.623 21.288 47.244 1.00 27.43 C ATOM 727 CD2 PHE A 48 9.680 20.525 49.510 1.00 25.78 C ATOM 728 CE1 PHE A 48 10.324 22.430 47.596 1.00 25.75 C ATOM 729 CE2 PHE A 48 10.381 21.664 49.868 1.00 26.58 C ATOM 730 CZ PHE A 48 10.704 22.618 48.908 1.00 26.43 C ATOM 731 HA PHE A 48 9.046 17.124 46.934 1.00 0.00 H ATOM 732 HB2 PHE A 48 7.885 19.273 47.026 1.00 0.00 H ATOM 733 HB3 PHE A 48 8.132 18.622 48.663 1.00 0.00 H ATOM 734 HD2 PHE A 48 9.428 19.783 50.268 1.00 0.00 H ATOM 735 HE2 PHE A 48 10.681 21.814 50.905 1.00 0.00 H ATOM 736 HZ PHE A 48 11.257 23.513 49.193 1.00 0.00 H ATOM 737 HE1 PHE A 48 10.574 23.175 46.841 1.00 0.00 H ATOM 738 HD1 PHE A 48 9.321 21.142 46.207 1.00 0.00 H ATOM 739 H PHE A 48 11.406 18.308 48.390 1.00 0.00 H ATOM 740 N PRO A 49 9.756 18.465 44.813 1.00 25.98 N ATOM 741 CA PRO A 49 10.408 19.005 43.607 1.00 25.37 C ATOM 742 C PRO A 49 10.405 20.551 43.609 1.00 25.16 C ATOM 743 O PRO A 49 9.346 21.178 43.699 1.00 24.90 O ATOM 744 CB PRO A 49 9.592 18.388 42.465 1.00 24.93 C ATOM 745 CG PRO A 49 8.244 18.124 43.089 1.00 25.13 C ATOM 746 CD PRO A 49 8.580 17.644 44.465 1.00 24.21 C ATOM 747 HA PRO A 49 11.466 18.755 43.526 1.00 0.00 H ATOM 748 HD3 PRO A 49 7.756 17.822 45.156 1.00 0.00 H ATOM 749 HD2 PRO A 49 8.827 16.582 44.463 1.00 0.00 H ATOM 750 HG3 PRO A 49 7.700 17.361 42.532 1.00 0.00 H ATOM 751 HG2 PRO A 49 7.648 19.036 43.129 1.00 0.00 H ATOM 752 HB2 PRO A 49 9.504 19.083 41.630 1.00 0.00 H ATOM 753 HB3 PRO A 49 10.048 17.461 42.118 1.00 0.00 H ATOM 754 N ASP A 50 11.590 21.153 43.506 1.00 23.67 N ATOM 755 CA ASP A 50 11.721 22.611 43.552 1.00 25.39 C ATOM 756 C ASP A 50 11.075 23.407 42.428 1.00 25.90 C ATOM 757 O ASP A 50 10.706 24.563 42.624 1.00 26.26 O ATOM 758 CB ASP A 50 13.200 23.017 43.687 1.00 24.81 C ATOM 759 CG ASP A 50 14.013 22.757 42.438 1.00 22.26 C ATOM 760 OD1 ASP A 50 13.857 23.476 41.433 1.00 26.41 O ATOM 761 OD2 ASP A 50 14.831 21.830 42.465 1.00 25.60 O ATOM 762 HA ASP A 50 11.143 22.881 44.436 1.00 0.00 H ATOM 763 HB2 ASP A 50 13.246 24.082 43.914 1.00 0.00 H ATOM 764 HB3 ASP A 50 13.640 22.452 44.509 1.00 0.00 H ATOM 765 H ASP A 50 12.444 20.572 43.390 1.00 0.00 H ATOM 766 N ASN A 51 10.933 22.791 41.258 1.00 26.66 N ATOM 767 CA ASN A 51 10.321 23.449 40.114 1.00 24.81 C ATOM 768 C ASN A 51 8.805 23.482 40.316 1.00 25.85 C ATOM 769 O ASN A 51 8.062 23.990 39.471 1.00 23.63 O ATOM 770 CB ASN A 51 10.687 22.697 38.834 1.00 24.58 C ATOM 771 CG ASN A 51 10.184 21.267 38.840 1.00 24.30 C ATOM 772 OD1 ASN A 51 10.194 20.606 39.876 1.00 25.44 O ATOM 773 ND2 ASN A 51 9.748 20.779 37.678 1.00 21.36 N ATOM 774 HA ASN A 51 10.688 24.471 40.024 1.00 0.00 H ATOM 775 HB2 ASN A 51 10.249 23.219 37.983 1.00 0.00 H ATOM 776 HB3 ASN A 51 11.772 22.686 38.732 1.00 0.00 H ATOM 777 HD22 ASN A 51 9.758 21.376 36.827 1.00 0.00 H ATOM 778 HD21 ASN A 51 9.398 19.801 37.623 1.00 0.00 H ATOM 779 H ASN A 51 11.269 21.812 41.158 1.00 0.00 H ATOM 780 N PHE A 52 8.356 22.938 41.447 1.00 25.61 N ATOM 781 CA PHE A 52 6.933 22.918 41.784 1.00 25.92 C ATOM 782 C PHE A 52 6.558 24.055 42.726 1.00 26.13 C ATOM 783 O PHE A 52 5.407 24.194 43.121 1.00 26.85 O ATOM 784 CB PHE A 52 6.544 21.600 42.446 1.00 25.39 C ATOM 785 CG PHE A 52 6.224 20.504 41.480 1.00 25.19 C ATOM 786 CD1 PHE A 52 5.090 19.716 41.668 1.00 22.76 C ATOM 787 CD2 PHE A 52 7.060 20.243 40.393 1.00 26.22 C ATOM 788 CE1 PHE A 52 4.786 18.692 40.796 1.00 24.17 C ATOM 789 CE2 PHE A 52 6.770 19.215 39.508 1.00 25.88 C ATOM 790 CZ PHE A 52 5.628 18.436 39.708 1.00 26.89 C ATOM 791 HA PHE A 52 6.394 23.037 40.844 1.00 0.00 H ATOM 792 HB2 PHE A 52 7.374 21.273 43.073 1.00 0.00 H ATOM 793 HB3 PHE A 52 5.667 21.775 43.069 1.00 0.00 H ATOM 794 HD2 PHE A 52 7.950 20.853 40.238 1.00 0.00 H ATOM 795 HE2 PHE A 52 7.429 19.017 38.662 1.00 0.00 H ATOM 796 HZ PHE A 52 5.392 17.628 39.016 1.00 0.00 H ATOM 797 HE1 PHE A 52 3.894 18.085 40.953 1.00 0.00 H ATOM 798 HD1 PHE A 52 4.434 19.912 42.516 1.00 0.00 H ATOM 799 H PHE A 52 9.038 22.515 42.109 1.00 0.00 H ATOM 800 N VAL A 53 7.531 24.867 43.099 1.00 26.58 N ATOM 801 CA VAL A 53 7.244 25.975 43.988 1.00 27.12 C ATOM 802 C VAL A 53 8.051 27.165 43.557 1.00 27.80 C ATOM 803 O VAL A 53 9.012 27.035 42.799 1.00 29.17 O ATOM 804 CB VAL A 53 7.616 25.656 45.447 1.00 26.82 C ATOM 805 CG1 VAL A 53 6.830 24.453 45.936 1.00 24.41 C ATOM 806 CG2 VAL A 53 9.130 25.424 45.557 1.00 25.05 C ATOM 807 HA VAL A 53 6.173 26.171 43.936 1.00 0.00 H ATOM 808 HB VAL A 53 7.356 26.502 46.084 1.00 0.00 H ATOM 809 HG11 VAL A 53 5.763 24.669 45.878 1.00 0.00 H ATOM 810 HG12 VAL A 53 7.062 23.591 45.311 1.00 0.00 H ATOM 811 HG13 VAL A 53 7.103 24.238 46.969 1.00 0.00 H ATOM 812 HG21 VAL A 53 9.415 24.587 44.920 1.00 0.00 H ATOM 813 HG22 VAL A 53 9.658 26.322 45.237 1.00 0.00 H ATOM 814 HG23 VAL A 53 9.388 25.199 46.592 1.00 0.00 H ATOM 815 H VAL A 53 8.500 24.712 42.756 1.00 0.00 H ATOM 816 N ARG A 54 7.645 28.331 44.041 1.00 29.14 N ATOM 817 CA ARG A 54 8.342 29.566 43.734 1.00 29.51 C ATOM 818 C ARG A 54 8.987 30.065 45.018 1.00 30.70 C ATOM 819 O ARG A 54 8.338 30.119 46.078 1.00 29.61 O ATOM 820 CB ARG A 54 7.364 30.609 43.187 1.00 29.45 C ATOM 821 CG ARG A 54 6.715 30.215 41.869 1.00 27.70 C ATOM 822 CD ARG A 54 7.734 30.121 40.748 1.00 27.24 C ATOM 823 NE ARG A 54 7.079 29.857 39.474 1.00 28.14 N ATOM 824 CZ ARG A 54 7.478 30.362 38.314 1.00 27.25 C ATOM 825 NH1 ARG A 54 8.536 31.156 38.272 1.00 28.21 N ATOM 826 NH2 ARG A 54 6.802 30.101 37.205 1.00 25.89 N ATOM 827 HA ARG A 54 9.101 29.393 42.971 1.00 0.00 H ATOM 828 HB2 ARG A 54 6.577 30.762 43.925 1.00 0.00 H ATOM 829 HB3 ARG A 54 7.906 31.543 43.037 1.00 0.00 H ATOM 830 HG2 ARG A 54 6.231 29.246 41.989 1.00 0.00 H ATOM 831 HG3 ARG A 54 5.967 30.963 41.605 1.00 0.00 H ATOM 832 HD2 ARG A 54 8.432 29.312 40.966 1.00 0.00 H ATOM 833 HD3 ARG A 54 8.280 31.062 40.681 1.00 0.00 H ATOM 834 HE ARG A 54 6.247 29.234 39.474 1.00 0.00 H ATOM 835 HH12 ARG A 54 8.852 31.554 37.365 1.00 0.00 H ATOM 836 HH11 ARG A 54 9.052 31.382 39.146 1.00 0.00 H ATOM 837 HH22 ARG A 54 7.118 30.499 36.298 1.00 0.00 H ATOM 838 HH21 ARG A 54 5.955 29.498 37.242 1.00 0.00 H ATOM 839 H ARG A 54 6.807 28.361 44.656 1.00 0.00 H ATOM 840 N GLU A 55 10.272 30.404 44.917 1.00 31.05 N ATOM 841 CA GLU A 55 11.036 30.906 46.051 1.00 31.30 C ATOM 842 C GLU A 55 10.692 32.367 46.279 1.00 31.35 C ATOM 843 O GLU A 55 10.891 33.199 45.396 1.00 30.30 O ATOM 844 CB GLU A 55 12.531 30.755 45.784 1.00 31.10 C ATOM 845 CG GLU A 55 13.398 31.352 46.864 1.00 33.29 C ATOM 846 CD GLU A 55 14.855 31.003 46.697 1.00 33.69 C ATOM 847 OE1 GLU A 55 15.338 30.970 45.540 1.00 36.26 O ATOM 848 OE2 GLU A 55 15.516 30.774 47.729 1.00 34.64 O ATOM 849 HA GLU A 55 10.783 30.331 46.942 1.00 0.00 H ATOM 850 HB2 GLU A 55 12.762 29.693 45.704 1.00 0.00 H ATOM 851 HB3 GLU A 55 12.765 31.249 44.841 1.00 0.00 H ATOM 852 HG2 GLU A 55 13.293 32.437 46.836 1.00 0.00 H ATOM 853 HG3 GLU A 55 13.058 30.980 47.830 1.00 0.00 H ATOM 854 H GLU A 55 10.746 30.307 43.996 1.00 0.00 H ATOM 855 N ILE A 56 10.170 32.664 47.468 1.00 32.86 N ATOM 856 CA ILE A 56 9.758 34.017 47.834 1.00 35.22 C ATOM 857 C ILE A 56 10.921 34.996 47.982 1.00 37.09 C ATOM 858 O ILE A 56 11.957 34.669 48.572 1.00 36.94 O ATOM 859 CB ILE A 56 8.952 34.019 49.159 1.00 35.37 C ATOM 860 CG1 ILE A 56 7.716 33.126 49.025 1.00 34.48 C ATOM 861 CG2 ILE A 56 8.524 35.441 49.508 1.00 36.42 C ATOM 862 CD1 ILE A 56 6.940 32.954 50.320 1.00 34.73 C ATOM 863 HA ILE A 56 9.137 34.353 47.004 1.00 0.00 H ATOM 864 HB ILE A 56 9.587 33.631 49.956 1.00 0.00 H ATOM 865 HG12 ILE A 56 7.052 33.567 48.282 1.00 0.00 H ATOM 866 HG13 ILE A 56 8.038 32.142 48.684 1.00 0.00 H ATOM 867 HD11 ILE A 56 7.586 32.502 51.072 1.00 0.00 H ATOM 868 HD12 ILE A 56 6.599 33.928 50.670 1.00 0.00 H ATOM 869 HD13 ILE A 56 6.079 32.309 50.143 1.00 0.00 H ATOM 870 HG21 ILE A 56 9.409 36.067 49.625 1.00 0.00 H ATOM 871 HG22 ILE A 56 7.900 35.838 48.707 1.00 0.00 H ATOM 872 HG23 ILE A 56 7.959 35.431 50.440 1.00 0.00 H ATOM 873 H ILE A 56 10.051 31.901 48.165 1.00 0.00 H ATOM 874 N LYS A 57 10.722 36.202 47.446 1.00 38.79 N ATOM 875 CA LYS A 57 11.716 37.281 47.486 1.00 40.13 C ATOM 876 C LYS A 57 11.455 38.234 48.652 1.00 39.38 C ATOM 877 O LYS A 57 12.413 38.494 49.412 1.00 39.12 O ATOM 878 CB LYS A 57 11.702 38.061 46.157 1.00 41.24 C ATOM 879 CG LYS A 57 12.604 39.293 46.111 1.00 41.47 C ATOM 880 CD LYS A 57 12.861 39.718 44.669 1.00 44.47 C ATOM 881 CE LYS A 57 13.709 38.669 43.915 1.00 46.23 C ATOM 882 NZ LYS A 57 13.906 38.931 42.445 1.00 44.11 N ATOM 883 HA LYS A 57 12.697 36.829 47.631 1.00 0.00 H ATOM 884 HB2 LYS A 57 12.019 37.382 45.365 1.00 0.00 H ATOM 885 HB3 LYS A 57 10.679 38.386 45.968 1.00 0.00 H ATOM 886 HG2 LYS A 57 12.121 40.111 46.645 1.00 0.00 H ATOM 887 HG3 LYS A 57 13.555 39.059 46.591 1.00 0.00 H ATOM 888 HD2 LYS A 57 11.905 39.836 44.158 1.00 0.00 H ATOM 889 HD3 LYS A 57 13.392 40.670 44.669 1.00 0.00 H ATOM 890 HE2 LYS A 57 13.219 37.701 44.021 1.00 0.00 H ATOM 891 HE3 LYS A 57 14.692 38.631 44.384 1.00 0.00 H ATOM 892 HZ1 LYS A 57 12.980 38.957 41.972 1.00 0.00 H ATOM 893 HZ2 LYS A 57 14.387 39.844 42.318 1.00 0.00 H ATOM 894 HZ3 LYS A 57 14.486 38.172 42.034 1.00 0.00 H ATOM 895 H LYS A 57 9.814 36.387 46.975 1.00 0.00 H ATOM 896 N LYS A 58 10.303 38.706 48.787 1.00 39.67 N ATOM 897 HN3 LYS A 58 10.346 39.743 48.728 1.00 0.00 H ATOM 898 HN2 LYS A 58 9.921 38.426 49.713 1.00 0.00 H ATOM 899 HN1 LYS A 58 9.689 38.339 48.032 1.00 0.00 H TER 900 LYS A 58 ATOM 901 N VAL B 2 19.674 29.323 20.655 1.00 38.57 N ATOM 902 CA VAL B 2 19.736 28.706 22.012 1.00 35.98 C ATOM 903 C VAL B 2 19.889 27.197 21.910 1.00 34.97 C ATOM 904 O VAL B 2 19.079 26.515 21.278 1.00 33.68 O ATOM 905 CB VAL B 2 18.466 29.023 22.830 1.00 36.15 C ATOM 906 CG1 VAL B 2 18.506 28.289 24.158 1.00 35.03 C ATOM 907 CG2 VAL B 2 18.361 30.528 23.056 1.00 36.28 C ATOM 908 HA VAL B 2 20.603 29.130 22.519 1.00 0.00 H ATOM 909 HB VAL B 2 17.589 28.689 22.276 1.00 0.00 H ATOM 910 HG11 VAL B 2 18.558 27.215 23.977 1.00 0.00 H ATOM 911 HG12 VAL B 2 19.384 28.606 24.721 1.00 0.00 H ATOM 912 HG13 VAL B 2 17.605 28.520 24.727 1.00 0.00 H ATOM 913 HG21 VAL B 2 19.239 30.874 23.602 1.00 0.00 H ATOM 914 HG22 VAL B 2 18.307 31.036 22.093 1.00 0.00 H ATOM 915 HG23 VAL B 2 17.463 30.746 23.634 1.00 0.00 H ATOM 916 HN3 VAL B 2 18.860 28.936 20.137 1.00 0.00 H ATOM 917 HN2 VAL B 2 20.550 29.108 20.137 1.00 0.00 H ATOM 918 HN1 VAL B 2 19.570 30.354 20.749 1.00 0.00 H ATOM 919 N GLU B 3 20.951 26.688 22.529 1.00 34.96 N ATOM 920 CA GLU B 3 21.238 25.262 22.538 1.00 32.91 C ATOM 921 C GLU B 3 21.329 24.804 23.978 1.00 30.45 C ATOM 922 O GLU B 3 21.496 25.610 24.891 1.00 28.96 O ATOM 923 CB GLU B 3 22.571 24.961 21.846 1.00 35.77 C ATOM 924 CG GLU B 3 22.650 25.358 20.386 1.00 39.82 C ATOM 925 CD GLU B 3 22.745 26.859 20.190 1.00 43.53 C ATOM 926 OE1 GLU B 3 23.656 27.478 20.790 1.00 45.38 O ATOM 927 OE2 GLU B 3 21.914 27.417 19.433 1.00 45.03 O ATOM 928 HA GLU B 3 20.444 24.741 22.004 1.00 0.00 H ATOM 929 HB2 GLU B 3 23.356 25.493 22.382 1.00 0.00 H ATOM 930 HB3 GLU B 3 22.750 23.888 21.913 1.00 0.00 H ATOM 931 HG2 GLU B 3 23.531 24.892 19.945 1.00 0.00 H ATOM 932 HG3 GLU B 3 21.757 24.996 19.877 1.00 0.00 H ATOM 933 H GLU B 3 21.599 27.333 23.024 1.00 0.00 H ATOM 934 N ALA B 4 21.225 23.500 24.177 1.00 27.75 N ATOM 935 CA ALA B 4 21.321 22.940 25.510 1.00 27.50 C ATOM 936 C ALA B 4 21.758 21.495 25.413 1.00 26.98 C ATOM 937 O ALA B 4 21.695 20.878 24.349 1.00 27.95 O ATOM 938 CB ALA B 4 19.977 23.029 26.216 1.00 27.78 C ATOM 939 HA ALA B 4 22.054 23.505 26.086 1.00 0.00 H ATOM 940 HB1 ALA B 4 19.675 24.074 26.288 1.00 0.00 H ATOM 941 HB2 ALA B 4 19.232 22.472 25.648 1.00 0.00 H ATOM 942 HB3 ALA B 4 20.065 22.605 27.216 1.00 0.00 H ATOM 943 H ALA B 4 21.072 22.868 23.365 1.00 0.00 H ATOM 944 N ILE B 5 22.208 20.954 26.533 1.00 28.23 N ATOM 945 CA ILE B 5 22.642 19.568 26.570 1.00 27.52 C ATOM 946 C ILE B 5 21.817 18.845 27.632 1.00 26.11 C ATOM 947 O ILE B 5 21.565 19.383 28.717 1.00 24.39 O ATOM 948 CB ILE B 5 24.159 19.478 26.870 1.00 29.56 C ATOM 949 CG1 ILE B 5 24.606 18.012 26.959 1.00 28.41 C ATOM 950 CG2 ILE B 5 24.467 20.265 28.127 1.00 29.49 C ATOM 951 CD1 ILE B 5 26.123 17.834 27.043 1.00 28.43 C ATOM 952 HA ILE B 5 22.485 19.094 25.601 1.00 0.00 H ATOM 953 HB ILE B 5 24.729 19.922 26.054 1.00 0.00 H ATOM 954 HG12 ILE B 5 24.158 17.569 27.848 1.00 0.00 H ATOM 955 HG13 ILE B 5 24.247 17.488 26.073 1.00 0.00 H ATOM 956 HD11 ILE B 5 26.587 18.262 26.154 1.00 0.00 H ATOM 957 HD12 ILE B 5 26.499 18.342 27.931 1.00 0.00 H ATOM 958 HD13 ILE B 5 26.360 16.772 27.103 1.00 0.00 H ATOM 959 HG21 ILE B 5 24.184 21.307 27.980 1.00 0.00 H ATOM 960 HG22 ILE B 5 23.903 19.849 28.962 1.00 0.00 H ATOM 961 HG23 ILE B 5 25.534 20.203 28.340 1.00 0.00 H ATOM 962 H ILE B 5 22.252 21.529 27.399 1.00 0.00 H ATOM 963 N VAL B 6 21.394 17.629 27.287 1.00 25.32 N ATOM 964 CA VAL B 6 20.556 16.793 28.141 1.00 24.91 C ATOM 965 C VAL B 6 21.260 16.252 29.376 1.00 26.18 C ATOM 966 O VAL B 6 22.259 15.542 29.265 1.00 26.18 O ATOM 967 CB VAL B 6 19.991 15.587 27.343 1.00 24.54 C ATOM 968 CG1 VAL B 6 18.906 14.885 28.146 1.00 21.45 C ATOM 969 CG2 VAL B 6 19.447 16.056 25.999 1.00 22.35 C ATOM 970 HA VAL B 6 19.760 17.455 28.481 1.00 0.00 H ATOM 971 HB VAL B 6 20.797 14.876 27.161 1.00 0.00 H ATOM 972 HG11 VAL B 6 19.326 14.526 29.085 1.00 0.00 H ATOM 973 HG12 VAL B 6 18.097 15.586 28.353 1.00 0.00 H ATOM 974 HG13 VAL B 6 18.520 14.042 27.573 1.00 0.00 H ATOM 975 HG21 VAL B 6 18.650 16.781 26.164 1.00 0.00 H ATOM 976 HG22 VAL B 6 20.249 16.520 25.426 1.00 0.00 H ATOM 977 HG23 VAL B 6 19.054 15.201 25.449 1.00 0.00 H ATOM 978 H VAL B 6 21.677 17.255 26.358 1.00 0.00 H ATOM 979 N GLU B 7 20.722 16.581 30.552 1.00 27.22 N ATOM 980 CA GLU B 7 21.280 16.112 31.818 1.00 27.04 C ATOM 981 C GLU B 7 20.552 14.861 32.320 1.00 28.18 C ATOM 982 O GLU B 7 21.178 13.950 32.871 1.00 26.92 O ATOM 983 CB GLU B 7 21.202 17.210 32.882 1.00 25.94 C ATOM 984 CG GLU B 7 21.883 16.818 34.175 1.00 25.89 C ATOM 985 CD GLU B 7 21.896 17.927 35.188 1.00 25.09 C ATOM 986 OE1 GLU B 7 22.497 17.727 36.266 1.00 25.31 O ATOM 987 OE2 GLU B 7 21.308 18.991 34.907 1.00 24.90 O ATOM 988 HA GLU B 7 22.324 15.857 31.639 1.00 0.00 H ATOM 989 HB2 GLU B 7 21.682 18.108 32.493 1.00 0.00 H ATOM 990 HB3 GLU B 7 20.153 17.421 33.090 1.00 0.00 H ATOM 991 HG2 GLU B 7 21.357 15.964 34.601 1.00 0.00 H ATOM 992 HG3 GLU B 7 22.912 16.536 33.955 1.00 0.00 H ATOM 993 H GLU B 7 19.879 17.190 30.568 1.00 0.00 H ATOM 994 N PHE B 8 19.230 14.823 32.132 1.00 28.47 N ATOM 995 CA PHE B 8 18.421 13.676 32.558 1.00 28.50 C ATOM 996 C PHE B 8 17.539 13.184 31.415 1.00 29.75 C ATOM 997 O PHE B 8 17.036 13.988 30.624 1.00 29.78 O ATOM 998 CB PHE B 8 17.520 14.048 33.739 1.00 25.50 C ATOM 999 CG PHE B 8 18.251 14.648 34.898 1.00 23.61 C ATOM 1000 CD1 PHE B 8 18.279 16.025 35.078 1.00 23.14 C ATOM 1001 CD2 PHE B 8 18.925 13.838 35.804 1.00 23.26 C ATOM 1002 CE1 PHE B 8 18.966 16.587 36.140 1.00 22.25 C ATOM 1003 CE2 PHE B 8 19.616 14.390 36.873 1.00 21.52 C ATOM 1004 CZ PHE B 8 19.636 15.771 37.041 1.00 22.52 C ATOM 1005 HA PHE B 8 19.111 12.888 32.859 1.00 0.00 H ATOM 1006 HB2 PHE B 8 16.779 14.768 33.391 1.00 0.00 H ATOM 1007 HB3 PHE B 8 17.015 13.145 34.082 1.00 0.00 H ATOM 1008 HD2 PHE B 8 18.911 12.756 35.673 1.00 0.00 H ATOM 1009 HE2 PHE B 8 20.141 13.745 37.578 1.00 0.00 H ATOM 1010 HZ PHE B 8 20.177 16.211 37.879 1.00 0.00 H ATOM 1011 HE1 PHE B 8 18.981 17.669 36.269 1.00 0.00 H ATOM 1012 HD1 PHE B 8 17.754 16.671 34.374 1.00 0.00 H ATOM 1013 H PHE B 8 18.761 15.629 31.671 1.00 0.00 H ATOM 1014 N ASP B 9 17.355 11.866 31.328 1.00 31.61 N ATOM 1015 CA ASP B 9 16.504 11.281 30.287 1.00 32.46 C ATOM 1016 C ASP B 9 15.050 11.653 30.539 1.00 31.48 C ATOM 1017 O ASP B 9 14.637 11.860 31.679 1.00 30.13 O ATOM 1018 CB ASP B 9 16.578 9.747 30.277 1.00 34.05 C ATOM 1019 CG ASP B 9 17.924 9.211 29.823 1.00 37.34 C ATOM 1020 OD1 ASP B 9 18.639 9.915 29.076 1.00 37.80 O ATOM 1021 OD2 ASP B 9 18.257 8.062 30.201 1.00 40.38 O ATOM 1022 HA ASP B 9 16.862 11.671 29.334 1.00 0.00 H ATOM 1023 HB2 ASP B 9 16.384 9.385 31.287 1.00 0.00 H ATOM 1024 HB3 ASP B 9 15.810 9.368 29.603 1.00 0.00 H ATOM 1025 H ASP B 9 17.825 11.240 32.013 1.00 0.00 H ATOM 1026 N TYR B 10 14.276 11.740 29.467 1.00 32.22 N ATOM 1027 CA TYR B 10 12.856 12.028 29.591 1.00 32.20 C ATOM 1028 C TYR B 10 12.121 11.430 28.411 1.00 32.81 C ATOM 1029 O TYR B 10 12.540 11.602 27.262 1.00 30.64 O ATOM 1030 CB TYR B 10 12.581 13.528 29.647 1.00 32.61 C ATOM 1031 CG TYR B 10 11.102 13.832 29.697 1.00 31.86 C ATOM 1032 CD1 TYR B 10 10.428 14.299 28.569 1.00 30.82 C ATOM 1033 CD2 TYR B 10 10.361 13.581 30.853 1.00 32.10 C ATOM 1034 CE1 TYR B 10 9.051 14.505 28.589 1.00 32.83 C ATOM 1035 CE2 TYR B 10 8.979 13.780 30.883 1.00 33.08 C ATOM 1036 CZ TYR B 10 8.334 14.240 29.748 1.00 32.67 C ATOM 1037 OH TYR B 10 6.975 14.421 29.766 1.00 32.52 O ATOM 1038 HA TYR B 10 12.506 11.589 30.525 1.00 0.00 H ATOM 1039 HB3 TYR B 10 13.007 13.997 28.760 1.00 0.00 H ATOM 1040 HB2 TYR B 10 13.055 13.940 30.538 1.00 0.00 H ATOM 1041 HD2 TYR B 10 10.870 13.223 31.748 1.00 0.00 H ATOM 1042 HE2 TYR B 10 8.413 13.575 31.792 1.00 0.00 H ATOM 1043 HE1 TYR B 10 8.539 14.872 27.700 1.00 0.00 H ATOM 1044 HD1 TYR B 10 10.988 14.506 27.657 1.00 0.00 H ATOM 1045 HH TYR B 10 6.676 14.751 28.882 1.00 0.00 H ATOM 1046 H TYR B 10 14.690 11.600 28.523 1.00 0.00 H ATOM 1047 N GLN B 11 11.035 10.716 28.702 1.00 33.02 N ATOM 1048 CA GLN B 11 10.238 10.103 27.653 1.00 34.06 C ATOM 1049 C GLN B 11 8.980 10.916 27.401 1.00 34.13 C ATOM 1050 O GLN B 11 8.236 11.227 28.329 1.00 34.96 O ATOM 1051 CB GLN B 11 9.863 8.667 28.028 1.00 36.17 C ATOM 1052 CG GLN B 11 8.903 7.984 27.040 1.00 38.99 C ATOM 1053 CD GLN B 11 9.295 8.167 25.569 1.00 40.78 C ATOM 1054 OE1 GLN B 11 10.435 7.902 25.173 1.00 41.69 O ATOM 1055 NE2 GLN B 11 8.339 8.613 24.754 1.00 38.93 N ATOM 1056 HA GLN B 11 10.835 10.081 26.741 1.00 0.00 H ATOM 1057 HB2 GLN B 11 10.778 8.077 28.078 1.00 0.00 H ATOM 1058 HB3 GLN B 11 9.389 8.683 29.009 1.00 0.00 H ATOM 1059 HG2 GLN B 11 8.884 6.917 27.261 1.00 0.00 H ATOM 1060 HG3 GLN B 11 7.906 8.401 27.185 1.00 0.00 H ATOM 1061 HE22 GLN B 11 7.392 8.824 25.129 1.00 0.00 H ATOM 1062 HE21 GLN B 11 8.540 8.750 23.743 1.00 0.00 H ATOM 1063 H GLN B 11 10.753 10.595 29.696 1.00 0.00 H ATOM 1064 N ALA B 12 8.759 11.271 26.139 1.00 33.85 N ATOM 1065 CA ALA B 12 7.588 12.040 25.763 1.00 33.88 C ATOM 1066 C ALA B 12 6.366 11.345 26.342 1.00 34.91 C ATOM 1067 O ALA B 12 6.378 10.141 26.600 1.00 35.14 O ATOM 1068 CB ALA B 12 7.479 12.128 24.237 1.00 32.78 C ATOM 1069 HA ALA B 12 7.662 13.056 26.152 1.00 0.00 H ATOM 1070 HB1 ALA B 12 8.369 12.615 23.838 1.00 0.00 H ATOM 1071 HB2 ALA B 12 7.395 11.124 23.821 1.00 0.00 H ATOM 1072 HB3 ALA B 12 6.596 12.708 23.970 1.00 0.00 H ATOM 1073 H ALA B 12 9.441 10.991 25.405 1.00 0.00 H ATOM 1074 N GLN B 13 5.312 12.112 26.559 1.00 35.76 N ATOM 1075 CA GLN B 13 4.083 11.571 27.100 1.00 37.54 C ATOM 1076 C GLN B 13 2.946 12.062 26.208 1.00 37.59 C ATOM 1077 O GLN B 13 1.807 11.634 26.345 1.00 37.44 O ATOM 1078 CB GLN B 13 3.922 12.021 28.563 1.00 39.49 C ATOM 1079 CG GLN B 13 5.090 11.545 29.463 1.00 42.59 C ATOM 1080 CD GLN B 13 4.982 11.985 30.924 1.00 43.98 C ATOM 1081 OE1 GLN B 13 4.067 11.585 31.644 1.00 45.29 O ATOM 1082 NE2 GLN B 13 5.931 12.805 31.366 1.00 45.38 N ATOM 1083 HA GLN B 13 4.084 10.481 27.108 1.00 0.00 H ATOM 1084 HB2 GLN B 13 3.880 13.110 28.591 1.00 0.00 H ATOM 1085 HB3 GLN B 13 2.990 11.612 28.954 1.00 0.00 H ATOM 1086 HG2 GLN B 13 5.119 10.456 29.436 1.00 0.00 H ATOM 1087 HG3 GLN B 13 6.019 11.943 29.055 1.00 0.00 H ATOM 1088 HE22 GLN B 13 6.687 13.119 30.724 1.00 0.00 H ATOM 1089 HE21 GLN B 13 5.917 13.132 32.353 1.00 0.00 H ATOM 1090 H GLN B 13 5.367 13.126 26.336 1.00 0.00 H ATOM 1091 N HIS B 14 3.286 12.953 25.276 1.00 38.36 N ATOM 1092 CA HIS B 14 2.335 13.510 24.317 1.00 39.50 C ATOM 1093 C HIS B 14 3.039 13.570 22.965 1.00 40.38 C ATOM 1094 O HIS B 14 4.260 13.718 22.894 1.00 40.60 O ATOM 1095 CB HIS B 14 1.886 14.922 24.732 1.00 40.08 C ATOM 1096 CG HIS B 14 1.082 14.963 26.000 1.00 41.68 C ATOM 1097 ND1 HIS B 14 -0.187 14.432 26.099 1.00 41.99 N ATOM 1098 CD2 HIS B 14 1.378 15.456 27.229 1.00 42.56 C ATOM 1099 CE1 HIS B 14 -0.636 14.595 27.333 1.00 41.51 C ATOM 1100 NE2 HIS B 14 0.294 15.212 28.039 1.00 40.52 N ATOM 1101 HA HIS B 14 1.443 12.884 24.274 1.00 0.00 H ATOM 1102 HB2 HIS B 14 2.775 15.537 24.870 1.00 0.00 H ATOM 1103 HB3 HIS B 14 1.279 15.338 23.928 1.00 0.00 H ATOM 1104 HD2 HIS B 14 2.303 15.953 27.520 1.00 0.00 H ATOM 1105 HE1 HIS B 14 -1.609 14.274 27.704 1.00 0.00 H ATOM 1106 H HIS B 14 4.276 13.267 25.230 1.00 0.00 H ATOM 1107 N ASP B 15 2.268 13.451 21.892 1.00 41.39 N ATOM 1108 CA ASP B 15 2.824 13.482 20.547 1.00 42.02 C ATOM 1109 C ASP B 15 3.569 14.769 20.217 1.00 40.41 C ATOM 1110 O ASP B 15 4.248 14.851 19.186 1.00 40.31 O ATOM 1111 CB ASP B 15 1.714 13.258 19.515 1.00 46.30 C ATOM 1112 CG ASP B 15 1.323 11.798 19.386 1.00 50.14 C ATOM 1113 OD1 ASP B 15 0.329 11.506 18.678 1.00 52.62 O ATOM 1114 OD2 ASP B 15 2.017 10.942 19.987 1.00 52.22 O ATOM 1115 HA ASP B 15 3.558 12.677 20.507 1.00 0.00 H ATOM 1116 HB2 ASP B 15 0.836 13.829 19.817 1.00 0.00 H ATOM 1117 HB3 ASP B 15 2.062 13.614 18.545 1.00 0.00 H ATOM 1118 H ASP B 15 1.242 13.333 22.015 1.00 0.00 H ATOM 1119 N ASP B 16 3.440 15.777 21.076 1.00 37.56 N ATOM 1120 CA ASP B 16 4.121 17.041 20.829 1.00 35.53 C ATOM 1121 C ASP B 16 5.363 17.211 21.698 1.00 34.34 C ATOM 1122 O ASP B 16 5.945 18.296 21.762 1.00 34.04 O ATOM 1123 CB ASP B 16 3.165 18.224 21.042 1.00 35.02 C ATOM 1124 CG ASP B 16 2.683 18.358 22.482 1.00 33.06 C ATOM 1125 OD1 ASP B 16 2.207 19.460 22.827 1.00 31.05 O ATOM 1126 OD2 ASP B 16 2.763 17.382 23.260 1.00 32.11 O ATOM 1127 HA ASP B 16 4.447 17.024 19.789 1.00 0.00 H ATOM 1128 HB2 ASP B 16 3.682 19.142 20.763 1.00 0.00 H ATOM 1129 HB3 ASP B 16 2.297 18.088 20.397 1.00 0.00 H ATOM 1130 H ASP B 16 2.852 15.662 21.926 1.00 0.00 H ATOM 1131 N GLU B 17 5.774 16.135 22.357 1.00 33.11 N ATOM 1132 CA GLU B 17 6.943 16.190 23.220 1.00 33.78 C ATOM 1133 C GLU B 17 8.155 15.542 22.576 1.00 32.09 C ATOM 1134 O GLU B 17 8.031 14.651 21.745 1.00 33.29 O ATOM 1135 CB GLU B 17 6.655 15.510 24.557 1.00 34.81 C ATOM 1136 CG GLU B 17 5.434 16.044 25.291 1.00 36.12 C ATOM 1137 CD GLU B 17 5.328 15.490 26.705 1.00 35.79 C ATOM 1138 OE1 GLU B 17 5.687 14.315 26.905 1.00 34.51 O ATOM 1139 OE2 GLU B 17 4.880 16.220 27.615 1.00 36.57 O ATOM 1140 HA GLU B 17 7.168 17.244 23.385 1.00 0.00 H ATOM 1141 HB2 GLU B 17 6.502 14.447 24.372 1.00 0.00 H ATOM 1142 HB3 GLU B 17 7.524 15.644 25.201 1.00 0.00 H ATOM 1143 HG2 GLU B 17 5.502 17.131 25.343 1.00 0.00 H ATOM 1144 HG3 GLU B 17 4.539 15.764 24.735 1.00 0.00 H ATOM 1145 H GLU B 17 5.253 15.241 22.255 1.00 0.00 H ATOM 1146 N LEU B 18 9.327 15.991 22.994 1.00 30.79 N ATOM 1147 CA LEU B 18 10.586 15.498 22.466 1.00 30.16 C ATOM 1148 C LEU B 18 11.247 14.544 23.462 1.00 29.17 C ATOM 1149 O LEU B 18 11.471 14.903 24.610 1.00 30.29 O ATOM 1150 CB LEU B 18 11.494 16.708 22.188 1.00 30.51 C ATOM 1151 CG LEU B 18 12.748 16.669 21.306 1.00 31.29 C ATOM 1152 CD1 LEU B 18 13.861 15.923 21.998 1.00 33.09 C ATOM 1153 CD2 LEU B 18 12.411 16.032 19.968 1.00 31.38 C ATOM 1154 HA LEU B 18 10.415 14.943 21.544 1.00 0.00 H ATOM 1155 HB2 LEU B 18 10.847 17.464 21.744 1.00 0.00 H ATOM 1156 HB3 LEU B 18 11.834 17.050 23.165 1.00 0.00 H ATOM 1157 HG LEU B 18 13.094 17.688 21.130 1.00 0.00 H ATOM 1158 HD21 LEU B 18 12.051 15.016 20.131 1.00 0.00 H ATOM 1159 HD22 LEU B 18 11.637 16.618 19.473 1.00 0.00 H ATOM 1160 HD23 LEU B 18 13.304 16.006 19.344 1.00 0.00 H ATOM 1161 HD11 LEU B 18 14.104 16.423 22.936 1.00 0.00 H ATOM 1162 HD12 LEU B 18 13.540 14.901 22.202 1.00 0.00 H ATOM 1163 HD13 LEU B 18 14.741 15.907 21.355 1.00 0.00 H ATOM 1164 H LEU B 18 9.347 16.726 23.730 1.00 0.00 H ATOM 1165 N THR B 19 11.535 13.321 23.030 1.00 28.64 N ATOM 1166 CA THR B 19 12.209 12.354 23.889 1.00 26.68 C ATOM 1167 C THR B 19 13.713 12.626 23.848 1.00 27.94 C ATOM 1168 O THR B 19 14.367 12.422 22.826 1.00 28.25 O ATOM 1169 CB THR B 19 11.981 10.901 23.424 1.00 26.05 C ATOM 1170 OG1 THR B 19 10.710 10.442 23.882 1.00 25.26 O ATOM 1171 CG2 THR B 19 13.053 9.986 23.989 1.00 24.38 C ATOM 1172 HA THR B 19 11.800 12.465 24.893 1.00 0.00 H ATOM 1173 HB THR B 19 12.021 10.882 22.335 1.00 0.00 H ATOM 1174 HG1 THR B 19 10.569 9.510 23.581 1.00 0.00 H ATOM 1175 HG23 THR B 19 14.032 10.322 23.649 1.00 0.00 H ATOM 1176 HG21 THR B 19 13.016 10.014 25.078 1.00 0.00 H ATOM 1177 HG22 THR B 19 12.878 8.967 23.644 1.00 0.00 H ATOM 1178 H THR B 19 11.275 13.048 22.061 1.00 0.00 H ATOM 1179 N ILE B 20 14.262 13.079 24.966 1.00 29.17 N ATOM 1180 CA ILE B 20 15.688 13.383 25.047 1.00 28.69 C ATOM 1181 C ILE B 20 16.418 12.365 25.920 1.00 28.52 C ATOM 1182 O ILE B 20 15.808 11.743 26.795 1.00 28.49 O ATOM 1183 CB ILE B 20 15.921 14.791 25.641 1.00 28.01 C ATOM 1184 CG1 ILE B 20 15.355 14.852 27.069 1.00 27.32 C ATOM 1185 CG2 ILE B 20 15.275 15.845 24.745 1.00 28.23 C ATOM 1186 CD1 ILE B 20 15.601 16.166 27.798 1.00 23.17 C ATOM 1187 HA ILE B 20 16.080 13.342 24.031 1.00 0.00 H ATOM 1188 HB ILE B 20 16.990 14.996 25.689 1.00 0.00 H ATOM 1189 HG12 ILE B 20 14.278 14.691 27.014 1.00 0.00 H ATOM 1190 HG13 ILE B 20 15.812 14.051 27.650 1.00 0.00 H ATOM 1191 HD11 ILE B 20 16.674 16.341 27.877 1.00 0.00 H ATOM 1192 HD12 ILE B 20 15.139 16.981 27.241 1.00 0.00 H ATOM 1193 HD13 ILE B 20 15.166 16.113 28.796 1.00 0.00 H ATOM 1194 HG21 ILE B 20 15.718 15.795 23.750 1.00 0.00 H ATOM 1195 HG22 ILE B 20 14.204 15.655 24.677 1.00 0.00 H ATOM 1196 HG23 ILE B 20 15.444 16.834 25.170 1.00 0.00 H ATOM 1197 H ILE B 20 13.664 13.221 25.805 1.00 0.00 H ATOM 1198 N SER B 21 17.719 12.207 25.670 1.00 27.74 N ATOM 1199 CA SER B 21 18.569 11.279 26.421 1.00 28.05 C ATOM 1200 C SER B 21 19.850 11.984 26.879 1.00 28.33 C ATOM 1201 O SER B 21 20.346 12.883 26.206 1.00 28.01 O ATOM 1202 CB SER B 21 18.925 10.063 25.562 1.00 28.98 C ATOM 1203 OG SER B 21 17.757 9.423 25.075 1.00 31.02 O ATOM 1204 HA SER B 21 18.016 10.941 27.297 1.00 0.00 H ATOM 1205 HB2 SER B 21 19.494 9.355 26.165 1.00 0.00 H ATOM 1206 HB3 SER B 21 19.531 10.389 24.717 1.00 0.00 H ATOM 1207 HG SER B 21 18.015 8.642 24.524 1.00 0.00 H ATOM 1208 H SER B 21 18.150 12.768 24.907 1.00 0.00 H ATOM 1209 N VAL B 22 20.381 11.566 28.025 1.00 29.79 N ATOM 1210 CA VAL B 22 21.585 12.168 28.596 1.00 30.15 C ATOM 1211 C VAL B 22 22.730 12.373 27.604 1.00 31.24 C ATOM 1212 O VAL B 22 23.218 11.414 26.995 1.00 31.18 O ATOM 1213 CB VAL B 22 22.133 11.326 29.778 1.00 29.91 C ATOM 1214 CG1 VAL B 22 23.437 11.939 30.296 1.00 28.21 C ATOM 1215 CG2 VAL B 22 21.115 11.263 30.894 1.00 28.55 C ATOM 1216 HA VAL B 22 21.251 13.151 28.928 1.00 0.00 H ATOM 1217 HB VAL B 22 22.329 10.314 29.425 1.00 0.00 H ATOM 1218 HG11 VAL B 22 24.174 11.954 29.493 1.00 0.00 H ATOM 1219 HG12 VAL B 22 23.248 12.957 30.637 1.00 0.00 H ATOM 1220 HG13 VAL B 22 23.814 11.341 31.126 1.00 0.00 H ATOM 1221 HG21 VAL B 22 20.900 12.272 31.245 1.00 0.00 H ATOM 1222 HG22 VAL B 22 20.199 10.803 30.523 1.00 0.00 H ATOM 1223 HG23 VAL B 22 21.515 10.669 31.716 1.00 0.00 H ATOM 1224 H VAL B 22 19.923 10.783 28.533 1.00 0.00 H ATOM 1225 N GLY B 23 23.153 13.627 27.452 1.00 31.06 N ATOM 1226 CA GLY B 23 24.260 13.934 26.561 1.00 30.74 C ATOM 1227 C GLY B 23 23.951 14.668 25.272 1.00 30.24 C ATOM 1228 O GLY B 23 24.739 15.506 24.833 1.00 31.95 O ATOM 1229 HA3 GLY B 23 24.732 12.989 26.292 1.00 0.00 H ATOM 1230 HA2 GLY B 23 24.968 14.545 27.121 1.00 0.00 H ATOM 1231 H GLY B 23 22.686 14.394 27.976 1.00 0.00 H ATOM 1232 N GLU B 24 22.810 14.365 24.664 1.00 28.97 N ATOM 1233 CA GLU B 24 22.437 14.986 23.407 1.00 26.69 C ATOM 1234 C GLU B 24 22.344 16.494 23.508 1.00 26.32 C ATOM 1235 O GLU B 24 22.040 17.040 24.568 1.00 25.53 O ATOM 1236 CB GLU B 24 21.113 14.411 22.919 1.00 27.08 C ATOM 1237 CG GLU B 24 21.175 12.927 22.638 1.00 28.11 C ATOM 1238 CD GLU B 24 19.809 12.313 22.461 1.00 29.20 C ATOM 1239 OE1 GLU B 24 19.732 11.095 22.233 1.00 34.13 O ATOM 1240 OE2 GLU B 24 18.806 13.043 22.553 1.00 31.09 O ATOM 1241 HA GLU B 24 23.226 14.763 22.689 1.00 0.00 H ATOM 1242 HB2 GLU B 24 20.356 14.588 23.683 1.00 0.00 H ATOM 1243 HB3 GLU B 24 20.829 14.926 22.001 1.00 0.00 H ATOM 1244 HG2 GLU B 24 21.751 12.768 21.726 1.00 0.00 H ATOM 1245 HG3 GLU B 24 21.674 12.434 23.472 1.00 0.00 H ATOM 1246 H GLU B 24 22.171 13.669 25.098 1.00 0.00 H ATOM 1247 N ILE B 25 22.637 17.159 22.394 1.00 24.13 N ATOM 1248 CA ILE B 25 22.573 18.603 22.329 1.00 22.97 C ATOM 1249 C ILE B 25 21.235 18.941 21.697 1.00 24.77 C ATOM 1250 O ILE B 25 20.823 18.319 20.717 1.00 25.43 O ATOM 1251 CB ILE B 25 23.709 19.180 21.461 1.00 20.67 C ATOM 1252 CG1 ILE B 25 25.068 18.850 22.093 1.00 19.73 C ATOM 1253 CG2 ILE B 25 23.528 20.677 21.297 1.00 18.20 C ATOM 1254 CD1 ILE B 25 25.273 19.419 23.496 1.00 17.34 C ATOM 1255 HA ILE B 25 22.680 19.031 23.326 1.00 0.00 H ATOM 1256 HB ILE B 25 23.675 18.726 20.471 1.00 0.00 H ATOM 1257 HG12 ILE B 25 25.163 17.766 22.149 1.00 0.00 H ATOM 1258 HG13 ILE B 25 25.850 19.249 21.447 1.00 0.00 H ATOM 1259 HD11 ILE B 25 25.196 20.506 23.461 1.00 0.00 H ATOM 1260 HD12 ILE B 25 24.509 19.021 24.163 1.00 0.00 H ATOM 1261 HD13 ILE B 25 26.260 19.135 23.861 1.00 0.00 H ATOM 1262 HG21 ILE B 25 22.571 20.875 20.814 1.00 0.00 H ATOM 1263 HG22 ILE B 25 23.548 21.154 22.277 1.00 0.00 H ATOM 1264 HG23 ILE B 25 24.336 21.074 20.682 1.00 0.00 H ATOM 1265 H ILE B 25 22.920 16.627 21.547 1.00 0.00 H ATOM 1266 N ILE B 26 20.547 19.909 22.282 1.00 26.63 N ATOM 1267 CA ILE B 26 19.254 20.341 21.775 1.00 28.42 C ATOM 1268 C ILE B 26 19.448 21.717 21.148 1.00 29.99 C ATOM 1269 O ILE B 26 20.025 22.623 21.764 1.00 30.37 O ATOM 1270 CB ILE B 26 18.207 20.442 22.909 1.00 27.97 C ATOM 1271 CG1 ILE B 26 18.131 19.114 23.661 1.00 28.18 C ATOM 1272 CG2 ILE B 26 16.847 20.809 22.337 1.00 27.27 C ATOM 1273 CD1 ILE B 26 17.236 19.149 24.855 1.00 26.15 C ATOM 1274 HA ILE B 26 18.887 19.615 21.050 1.00 0.00 H ATOM 1275 HB ILE B 26 18.509 21.224 23.606 1.00 0.00 H ATOM 1276 HG12 ILE B 26 17.761 18.351 22.976 1.00 0.00 H ATOM 1277 HG13 ILE B 26 19.135 18.848 23.991 1.00 0.00 H ATOM 1278 HD11 ILE B 26 17.599 19.899 25.557 1.00 0.00 H ATOM 1279 HD12 ILE B 26 16.223 19.403 24.541 1.00 0.00 H ATOM 1280 HD13 ILE B 26 17.235 18.170 25.335 1.00 0.00 H ATOM 1281 HG21 ILE B 26 16.916 21.770 21.828 1.00 0.00 H ATOM 1282 HG22 ILE B 26 16.533 20.042 21.628 1.00 0.00 H ATOM 1283 HG23 ILE B 26 16.120 20.877 23.146 1.00 0.00 H ATOM 1284 H ILE B 26 20.941 20.372 23.126 1.00 0.00 H ATOM 1285 N THR B 27 18.957 21.859 19.921 1.00 31.31 N ATOM 1286 CA THR B 27 19.081 23.098 19.170 1.00 32.97 C ATOM 1287 C THR B 27 17.740 23.688 18.755 1.00 33.51 C ATOM 1288 O THR B 27 16.688 23.079 18.973 1.00 33.31 O ATOM 1289 CB THR B 27 19.898 22.857 17.909 1.00 32.61 C ATOM 1290 OG1 THR B 27 19.308 21.780 17.174 1.00 33.78 O ATOM 1291 CG2 THR B 27 21.336 22.492 18.268 1.00 33.64 C ATOM 1292 HA THR B 27 19.570 23.808 19.837 1.00 0.00 H ATOM 1293 HB THR B 27 19.906 23.767 17.308 1.00 0.00 H ATOM 1294 HG1 THR B 27 19.305 20.963 17.733 1.00 0.00 H ATOM 1295 HG23 THR B 27 21.788 23.310 18.828 1.00 0.00 H ATOM 1296 HG21 THR B 27 21.339 21.588 18.877 1.00 0.00 H ATOM 1297 HG22 THR B 27 21.904 22.318 17.354 1.00 0.00 H ATOM 1298 H THR B 27 18.466 21.054 19.482 1.00 0.00 H ATOM 1299 N ASN B 28 17.795 24.876 18.151 1.00 34.19 N ATOM 1300 CA ASN B 28 16.601 25.572 17.680 1.00 34.90 C ATOM 1301 C ASN B 28 15.653 25.695 18.859 1.00 34.50 C ATOM 1302 O ASN B 28 14.439 25.588 18.715 1.00 35.02 O ATOM 1303 CB ASN B 28 15.933 24.759 16.566 1.00 37.90 C ATOM 1304 CG ASN B 28 16.934 24.222 15.546 1.00 40.00 C ATOM 1305 OD1 ASN B 28 16.618 23.325 14.757 1.00 39.78 O ATOM 1306 ND2 ASN B 28 18.145 24.773 15.557 1.00 41.31 N ATOM 1307 HA ASN B 28 16.859 26.555 17.285 1.00 0.00 H ATOM 1308 HB2 ASN B 28 15.408 23.917 17.016 1.00 0.00 H ATOM 1309 HB3 ASN B 28 15.217 25.398 16.049 1.00 0.00 H ATOM 1310 HD22 ASN B 28 18.368 25.526 16.239 1.00 0.00 H ATOM 1311 HD21 ASN B 28 18.869 24.451 14.884 1.00 0.00 H ATOM 1312 H ASN B 28 18.723 25.323 18.010 1.00 0.00 H ATOM 1313 N ILE B 29 16.227 25.924 20.029 1.00 34.99 N ATOM 1314 CA ILE B 29 15.457 26.022 21.256 1.00 35.89 C ATOM 1315 C ILE B 29 14.703 27.327 21.459 1.00 38.69 C ATOM 1316 O ILE B 29 15.295 28.412 21.472 1.00 36.76 O ATOM 1317 CB ILE B 29 16.365 25.794 22.487 1.00 32.83 C ATOM 1318 CG1 ILE B 29 16.734 24.312 22.596 1.00 30.32 C ATOM 1319 CG2 ILE B 29 15.679 26.306 23.735 1.00 30.45 C ATOM 1320 CD1 ILE B 29 17.769 24.026 23.648 1.00 28.60 C ATOM 1321 HA ILE B 29 14.703 25.242 21.154 1.00 0.00 H ATOM 1322 HB ILE B 29 17.293 26.354 22.371 1.00 0.00 H ATOM 1323 HG12 ILE B 29 15.832 23.749 22.837 1.00 0.00 H ATOM 1324 HG13 ILE B 29 17.121 23.981 21.632 1.00 0.00 H ATOM 1325 HD11 ILE B 29 18.682 24.574 23.416 1.00 0.00 H ATOM 1326 HD12 ILE B 29 17.393 24.341 24.621 1.00 0.00 H ATOM 1327 HD13 ILE B 29 17.980 22.957 23.667 1.00 0.00 H ATOM 1328 HG21 ILE B 29 15.480 27.372 23.627 1.00 0.00 H ATOM 1329 HG22 ILE B 29 14.739 25.772 23.877 1.00 0.00 H ATOM 1330 HG23 ILE B 29 16.326 26.141 24.597 1.00 0.00 H ATOM 1331 H ILE B 29 17.260 26.037 20.071 1.00 0.00 H ATOM 1332 N ARG B 30 13.388 27.209 21.621 1.00 41.69 N ATOM 1333 CA ARG B 30 12.565 28.378 21.882 1.00 43.83 C ATOM 1334 C ARG B 30 12.104 28.277 23.324 1.00 45.20 C ATOM 1335 O ARG B 30 11.383 27.352 23.706 1.00 43.20 O ATOM 1336 CB ARG B 30 11.342 28.456 20.968 1.00 45.47 C ATOM 1337 CG ARG B 30 10.655 29.821 21.068 1.00 49.67 C ATOM 1338 CD ARG B 30 9.402 29.940 20.212 1.00 53.44 C ATOM 1339 NE ARG B 30 8.959 31.333 20.089 1.00 56.52 N ATOM 1340 CZ ARG B 30 9.571 32.258 19.348 1.00 57.62 C ATOM 1341 NH1 ARG B 30 10.657 31.944 18.651 1.00 58.02 N ATOM 1342 NH2 ARG B 30 9.102 33.504 19.303 1.00 57.98 N ATOM 1343 HA ARG B 30 13.154 29.276 21.693 1.00 0.00 H ATOM 1344 HB2 ARG B 30 11.658 28.292 19.938 1.00 0.00 H ATOM 1345 HB3 ARG B 30 10.633 27.680 21.257 1.00 0.00 H ATOM 1346 HG2 ARG B 30 10.379 29.992 22.108 1.00 0.00 H ATOM 1347 HG3 ARG B 30 11.363 30.587 20.751 1.00 0.00 H ATOM 1348 HD2 ARG B 30 8.604 29.354 20.669 1.00 0.00 H ATOM 1349 HD3 ARG B 30 9.615 29.548 19.218 1.00 0.00 H ATOM 1350 HE ARG B 30 8.109 31.619 20.616 1.00 0.00 H ATOM 1351 HH12 ARG B 30 11.132 32.667 18.074 1.00 0.00 H ATOM 1352 HH11 ARG B 30 11.033 30.975 18.682 1.00 0.00 H ATOM 1353 HH22 ARG B 30 9.584 34.220 18.723 1.00 0.00 H ATOM 1354 HH21 ARG B 30 8.254 33.760 19.848 1.00 0.00 H ATOM 1355 H ARG B 30 12.944 26.270 21.560 1.00 0.00 H ATOM 1356 N LYS B 31 12.547 29.234 24.124 1.00 47.67 N ATOM 1357 CA LYS B 31 12.195 29.283 25.528 1.00 50.93 C ATOM 1358 C LYS B 31 10.696 29.532 25.687 1.00 53.01 C ATOM 1359 O LYS B 31 9.933 29.511 24.713 1.00 54.39 O ATOM 1360 CB LYS B 31 12.974 30.408 26.204 1.00 51.35 C ATOM 1361 CG LYS B 31 14.483 30.287 26.087 1.00 52.28 C ATOM 1362 CD LYS B 31 15.132 31.660 26.193 1.00 54.77 C ATOM 1363 CE LYS B 31 16.636 31.565 26.406 1.00 54.90 C ATOM 1364 NZ LYS B 31 16.954 30.943 27.723 1.00 55.05 N ATOM 1365 HA LYS B 31 12.446 28.330 25.993 1.00 0.00 H ATOM 1366 HB2 LYS B 31 12.672 31.352 25.751 1.00 0.00 H ATOM 1367 HB3 LYS B 31 12.714 30.415 27.262 1.00 0.00 H ATOM 1368 HG2 LYS B 31 14.856 29.649 26.888 1.00 0.00 H ATOM 1369 HG3 LYS B 31 14.735 29.843 25.124 1.00 0.00 H ATOM 1370 HD2 LYS B 31 14.941 32.212 25.273 1.00 0.00 H ATOM 1371 HD3 LYS B 31 14.690 32.194 27.034 1.00 0.00 H ATOM 1372 HE2 LYS B 31 17.064 32.567 26.372 1.00 0.00 H ATOM 1373 HE3 LYS B 31 17.071 30.959 25.611 1.00 0.00 H ATOM 1374 HZ1 LYS B 31 16.546 31.520 28.485 1.00 0.00 H ATOM 1375 HZ2 LYS B 31 16.551 29.985 27.759 1.00 0.00 H ATOM 1376 HZ3 LYS B 31 17.986 30.891 27.840 1.00 0.00 H ATOM 1377 H LYS B 31 13.166 29.972 23.733 1.00 0.00 H ATOM 1378 N GLU B 32 10.299 29.766 26.934 1.00 54.52 N ATOM 1379 CA GLU B 32 8.921 30.054 27.334 1.00 55.78 C ATOM 1380 C GLU B 32 8.741 29.553 28.766 1.00 54.50 C ATOM 1381 O GLU B 32 9.172 28.449 29.099 1.00 53.83 O ATOM 1382 CB GLU B 32 7.899 29.375 26.403 1.00 58.62 C ATOM 1383 CG GLU B 32 7.684 27.885 26.645 1.00 62.73 C ATOM 1384 CD GLU B 32 6.774 27.251 25.606 1.00 65.25 C ATOM 1385 OE1 GLU B 32 7.154 27.248 24.413 1.00 68.16 O ATOM 1386 OE2 GLU B 32 5.684 26.759 25.976 1.00 65.46 O ATOM 1387 HA GLU B 32 8.743 31.127 27.268 1.00 0.00 H ATOM 1388 HB2 GLU B 32 6.941 29.879 26.531 1.00 0.00 H ATOM 1389 HB3 GLU B 32 8.242 29.503 25.376 1.00 0.00 H ATOM 1390 HG2 GLU B 32 8.651 27.383 26.616 1.00 0.00 H ATOM 1391 HG3 GLU B 32 7.236 27.752 27.630 1.00 0.00 H ATOM 1392 H GLU B 32 11.022 29.743 27.681 1.00 0.00 H ATOM 1393 N ASP B 33 8.132 30.379 29.612 1.00 53.61 N ATOM 1394 CA ASP B 33 7.882 30.020 31.010 1.00 52.42 C ATOM 1395 C ASP B 33 6.939 28.807 31.048 1.00 49.11 C ATOM 1396 O ASP B 33 6.311 28.478 30.040 1.00 49.06 O ATOM 1397 CB ASP B 33 7.229 31.202 31.744 1.00 55.87 C ATOM 1398 CG ASP B 33 8.039 32.486 31.631 1.00 58.68 C ATOM 1399 OD1 ASP B 33 9.066 32.614 32.336 1.00 61.18 O ATOM 1400 OD2 ASP B 33 7.648 33.363 30.828 1.00 60.08 O ATOM 1401 HA ASP B 33 8.824 29.776 31.501 1.00 0.00 H ATOM 1402 HB2 ASP B 33 6.241 31.374 31.317 1.00 0.00 H ATOM 1403 HB3 ASP B 33 7.128 30.945 32.798 1.00 0.00 H ATOM 1404 H ASP B 33 7.823 31.311 29.270 1.00 0.00 H ATOM 1405 N GLY B 34 6.845 28.139 32.196 1.00 45.26 N ATOM 1406 CA GLY B 34 5.952 26.995 32.299 1.00 40.96 C ATOM 1407 C GLY B 34 6.609 25.650 32.522 1.00 37.41 C ATOM 1408 O GLY B 34 5.937 24.679 32.875 1.00 36.59 O ATOM 1409 HA3 GLY B 34 5.379 26.936 31.373 1.00 0.00 H ATOM 1410 HA2 GLY B 34 5.274 27.176 33.133 1.00 0.00 H ATOM 1411 H GLY B 34 7.409 28.435 33.018 1.00 0.00 H ATOM 1412 N GLY B 35 7.921 25.589 32.305 1.00 36.74 N ATOM 1413 CA GLY B 35 8.659 24.352 32.502 1.00 33.97 C ATOM 1414 C GLY B 35 8.931 23.555 31.239 1.00 32.44 C ATOM 1415 O GLY B 35 9.614 22.530 31.285 1.00 32.48 O ATOM 1416 HA3 GLY B 35 8.086 23.722 33.182 1.00 0.00 H ATOM 1417 HA2 GLY B 35 9.618 24.600 32.958 1.00 0.00 H ATOM 1418 H GLY B 35 8.427 26.441 31.989 1.00 0.00 H ATOM 1419 N TRP B 36 8.409 24.019 30.108 1.00 31.55 N ATOM 1420 CA TRP B 36 8.601 23.314 28.847 1.00 31.38 C ATOM 1421 C TRP B 36 9.181 24.168 27.723 1.00 32.28 C ATOM 1422 O TRP B 36 8.756 25.302 27.493 1.00 32.47 O ATOM 1423 CB TRP B 36 7.274 22.683 28.398 1.00 29.24 C ATOM 1424 CG TRP B 36 6.763 21.670 29.381 1.00 26.45 C ATOM 1425 CD1 TRP B 36 6.087 21.921 30.537 1.00 25.57 C ATOM 1426 CD2 TRP B 36 6.995 20.254 29.353 1.00 24.76 C ATOM 1427 NE1 TRP B 36 5.889 20.754 31.237 1.00 25.74 N ATOM 1428 CE2 TRP B 36 6.436 19.715 30.531 1.00 24.38 C ATOM 1429 CE3 TRP B 36 7.624 19.391 28.448 1.00 24.15 C ATOM 1430 CZ2 TRP B 36 6.490 18.348 30.830 1.00 24.05 C ATOM 1431 CZ3 TRP B 36 7.677 18.028 28.748 1.00 22.95 C ATOM 1432 CH2 TRP B 36 7.114 17.525 29.930 1.00 23.95 C ATOM 1433 HA TRP B 36 9.348 22.546 29.046 1.00 0.00 H ATOM 1434 HB2 TRP B 36 6.530 23.472 28.288 1.00 0.00 H ATOM 1435 HB3 TRP B 36 7.426 22.193 27.436 1.00 0.00 H ATOM 1436 HE1 TRP B 36 5.403 20.673 32.153 1.00 0.00 H ATOM 1437 HD1 TRP B 36 5.751 22.906 30.861 1.00 0.00 H ATOM 1438 HZ2 TRP B 36 6.051 17.953 31.746 1.00 0.00 H ATOM 1439 HH2 TRP B 36 7.174 16.457 30.137 1.00 0.00 H ATOM 1440 HZ3 TRP B 36 8.164 17.344 28.052 1.00 0.00 H ATOM 1441 HE3 TRP B 36 8.064 19.775 27.528 1.00 0.00 H ATOM 1442 H TRP B 36 7.855 24.899 30.123 1.00 0.00 H ATOM 1443 N TRP B 37 10.167 23.608 27.028 1.00 33.79 N ATOM 1444 CA TRP B 37 10.815 24.289 25.914 1.00 33.51 C ATOM 1445 C TRP B 37 10.621 23.470 24.647 1.00 33.19 C ATOM 1446 O TRP B 37 10.365 22.262 24.705 1.00 30.82 O ATOM 1447 CB TRP B 37 12.320 24.449 26.170 1.00 33.06 C ATOM 1448 CG TRP B 37 12.686 25.406 27.271 1.00 33.49 C ATOM 1449 CD1 TRP B 37 11.839 26.198 27.992 1.00 33.59 C ATOM 1450 CD2 TRP B 37 14.008 25.700 27.746 1.00 34.27 C ATOM 1451 NE1 TRP B 37 12.550 26.968 28.884 1.00 32.75 N ATOM 1452 CE2 TRP B 37 13.883 26.683 28.752 1.00 34.30 C ATOM 1453 CE3 TRP B 37 15.287 25.228 27.415 1.00 35.11 C ATOM 1454 CZ2 TRP B 37 14.991 27.207 29.432 1.00 34.85 C ATOM 1455 CZ3 TRP B 37 16.389 25.748 28.092 1.00 34.45 C ATOM 1456 CH2 TRP B 37 16.232 26.729 29.089 1.00 35.74 C ATOM 1457 HA TRP B 37 10.367 25.277 25.806 1.00 0.00 H ATOM 1458 HB2 TRP B 37 12.724 23.470 26.426 1.00 0.00 H ATOM 1459 HB3 TRP B 37 12.783 24.802 25.249 1.00 0.00 H ATOM 1460 HE1 TRP B 37 12.142 27.655 29.550 1.00 0.00 H ATOM 1461 HD1 TRP B 37 10.755 26.218 27.878 1.00 0.00 H ATOM 1462 HZ2 TRP B 37 14.872 27.966 30.205 1.00 0.00 H ATOM 1463 HH2 TRP B 37 17.113 27.117 29.599 1.00 0.00 H ATOM 1464 HZ3 TRP B 37 17.388 25.389 27.845 1.00 0.00 H ATOM 1465 HE3 TRP B 37 15.417 24.469 26.643 1.00 0.00 H ATOM 1466 H TRP B 37 10.486 22.653 27.288 1.00 0.00 H ATOM 1467 N GLU B 38 10.732 24.140 23.505 1.00 34.44 N ATOM 1468 CA GLU B 38 10.616 23.470 22.218 1.00 36.47 C ATOM 1469 C GLU B 38 11.992 23.560 21.572 1.00 35.53 C ATOM 1470 O GLU B 38 12.669 24.591 21.643 1.00 33.78 O ATOM 1471 CB GLU B 38 9.583 24.150 21.321 1.00 38.50 C ATOM 1472 CG GLU B 38 9.087 23.250 20.194 1.00 42.75 C ATOM 1473 CD GLU B 38 8.151 23.962 19.222 1.00 45.32 C ATOM 1474 OE1 GLU B 38 7.372 24.836 19.668 1.00 46.11 O ATOM 1475 OE2 GLU B 38 8.186 23.634 18.012 1.00 46.20 O ATOM 1476 HA GLU B 38 10.288 22.440 22.354 1.00 0.00 H ATOM 1477 HB2 GLU B 38 8.730 24.442 21.933 1.00 0.00 H ATOM 1478 HB3 GLU B 38 10.035 25.039 20.882 1.00 0.00 H ATOM 1479 HG2 GLU B 38 9.950 22.883 19.638 1.00 0.00 H ATOM 1480 HG3 GLU B 38 8.554 22.407 20.633 1.00 0.00 H ATOM 1481 H GLU B 38 10.905 25.165 23.531 1.00 0.00 H ATOM 1482 N GLY B 39 12.409 22.462 20.964 1.00 35.69 N ATOM 1483 CA GLY B 39 13.706 22.429 20.329 1.00 35.22 C ATOM 1484 C GLY B 39 13.863 21.131 19.580 1.00 35.49 C ATOM 1485 O GLY B 39 12.984 20.266 19.619 1.00 32.29 O ATOM 1486 HA3 GLY B 39 14.485 22.508 21.087 1.00 0.00 H ATOM 1487 HA2 GLY B 39 13.792 23.264 19.633 1.00 0.00 H ATOM 1488 H GLY B 39 11.801 21.619 20.943 1.00 0.00 H ATOM 1489 N GLN B 40 14.997 20.982 18.910 1.00 37.05 N ATOM 1490 CA GLN B 40 15.234 19.785 18.137 1.00 39.51 C ATOM 1491 C GLN B 40 16.527 19.073 18.482 1.00 39.61 C ATOM 1492 O GLN B 40 17.529 19.709 18.802 1.00 39.31 O ATOM 1493 CB GLN B 40 15.235 20.143 16.658 1.00 40.62 C ATOM 1494 CG GLN B 40 15.119 18.943 15.754 1.00 43.61 C ATOM 1495 CD GLN B 40 14.812 19.335 14.329 1.00 44.33 C ATOM 1496 OE1 GLN B 40 14.150 20.347 14.083 1.00 44.13 O ATOM 1497 NE2 GLN B 40 15.269 18.524 13.378 1.00 44.50 N ATOM 1498 HA GLN B 40 14.429 19.092 18.381 1.00 0.00 H ATOM 1499 HB2 GLN B 40 14.393 20.807 16.462 1.00 0.00 H ATOM 1500 HB3 GLN B 40 16.166 20.661 16.428 1.00 0.00 H ATOM 1501 HG2 GLN B 40 16.061 18.395 15.773 1.00 0.00 H ATOM 1502 HG3 GLN B 40 14.319 18.301 16.123 1.00 0.00 H ATOM 1503 HE22 GLN B 40 15.823 17.682 13.635 1.00 0.00 H ATOM 1504 HE21 GLN B 40 15.072 18.732 12.378 1.00 0.00 H ATOM 1505 H GLN B 40 15.719 21.730 18.941 1.00 0.00 H ATOM 1506 N ILE B 41 16.489 17.746 18.421 1.00 41.49 N ATOM 1507 CA ILE B 41 17.668 16.924 18.685 1.00 44.99 C ATOM 1508 C ILE B 41 17.852 16.010 17.493 1.00 46.93 C ATOM 1509 O ILE B 41 17.242 14.944 17.432 1.00 48.19 O ATOM 1510 CB ILE B 41 17.518 16.028 19.932 1.00 44.38 C ATOM 1511 CG1 ILE B 41 17.559 16.870 21.208 1.00 45.01 C ATOM 1512 CG2 ILE B 41 18.644 15.007 19.962 1.00 44.56 C ATOM 1513 CD1 ILE B 41 17.469 16.046 22.475 1.00 43.51 C ATOM 1514 HA ILE B 41 18.510 17.594 18.857 1.00 0.00 H ATOM 1515 HB ILE B 41 16.557 15.517 19.881 1.00 0.00 H ATOM 1516 HG12 ILE B 41 18.495 17.428 21.224 1.00 0.00 H ATOM 1517 HG13 ILE B 41 16.722 17.568 21.189 1.00 0.00 H ATOM 1518 HD11 ILE B 41 16.532 15.489 22.479 1.00 0.00 H ATOM 1519 HD12 ILE B 41 18.307 15.350 22.514 1.00 0.00 H ATOM 1520 HD13 ILE B 41 17.504 16.708 23.340 1.00 0.00 H ATOM 1521 HG21 ILE B 41 18.598 14.391 19.064 1.00 0.00 H ATOM 1522 HG22 ILE B 41 19.602 15.526 20.000 1.00 0.00 H ATOM 1523 HG23 ILE B 41 18.536 14.375 20.844 1.00 0.00 H ATOM 1524 H ILE B 41 15.593 17.278 18.178 1.00 0.00 H ATOM 1525 N ASN B 42 18.700 16.432 16.559 1.00 49.25 N ATOM 1526 CA ASN B 42 18.973 15.678 15.337 1.00 51.07 C ATOM 1527 C ASN B 42 17.672 15.227 14.671 1.00 52.11 C ATOM 1528 O ASN B 42 17.273 15.764 13.635 1.00 51.88 O ATOM 1529 CB ASN B 42 19.864 14.460 15.627 1.00 51.47 C ATOM 1530 CG ASN B 42 21.298 14.847 15.957 1.00 51.81 C ATOM 1531 OD1 ASN B 42 21.573 15.427 17.008 1.00 52.06 O ATOM 1532 ND2 ASN B 42 22.220 14.529 15.054 1.00 51.67 N ATOM 1533 HA ASN B 42 19.504 16.341 14.654 1.00 0.00 H ATOM 1534 HB2 ASN B 42 19.446 13.915 16.473 1.00 0.00 H ATOM 1535 HB3 ASN B 42 19.870 13.815 14.748 1.00 0.00 H ATOM 1536 HD22 ASN B 42 21.944 14.039 14.179 1.00 0.00 H ATOM 1537 HD21 ASN B 42 23.218 14.770 15.222 1.00 0.00 H ATOM 1538 H ASN B 42 19.190 17.338 16.705 1.00 0.00 H ATOM 1539 N GLY B 43 17.008 14.247 15.273 1.00 52.87 N ATOM 1540 CA GLY B 43 15.763 13.749 14.715 1.00 53.16 C ATOM 1541 C GLY B 43 14.562 14.683 14.816 1.00 52.23 C ATOM 1542 O GLY B 43 14.404 15.624 14.020 1.00 52.75 O ATOM 1543 HA3 GLY B 43 15.511 12.825 15.235 1.00 0.00 H ATOM 1544 HA2 GLY B 43 15.932 13.536 13.659 1.00 0.00 H ATOM 1545 H GLY B 43 17.382 13.833 16.151 1.00 0.00 H ATOM 1546 N ARG B 44 13.716 14.427 15.809 1.00 48.62 N ATOM 1547 CA ARG B 44 12.507 15.207 15.993 1.00 45.10 C ATOM 1548 C ARG B 44 12.697 16.534 16.712 1.00 41.54 C ATOM 1549 O ARG B 44 13.771 16.846 17.226 1.00 39.02 O ATOM 1550 CB ARG B 44 11.478 14.358 16.754 1.00 48.28 C ATOM 1551 CG ARG B 44 10.110 15.006 16.926 1.00 51.22 C ATOM 1552 CD ARG B 44 9.334 14.380 18.078 1.00 53.64 C ATOM 1553 NE ARG B 44 8.280 15.267 18.578 1.00 55.89 N ATOM 1554 CZ ARG B 44 7.184 15.605 17.900 1.00 57.06 C ATOM 1555 NH1 ARG B 44 6.973 15.132 16.676 1.00 57.72 N ATOM 1556 NH2 ARG B 44 6.297 16.427 18.446 1.00 56.93 N ATOM 1557 HA ARG B 44 12.164 15.467 14.992 1.00 0.00 H ATOM 1558 HB2 ARG B 44 11.343 13.422 16.211 1.00 0.00 H ATOM 1559 HB3 ARG B 44 11.880 14.147 17.745 1.00 0.00 H ATOM 1560 HG2 ARG B 44 10.244 16.069 17.126 1.00 0.00 H ATOM 1561 HG3 ARG B 44 9.540 14.880 16.005 1.00 0.00 H ATOM 1562 HD2 ARG B 44 10.026 14.162 18.891 1.00 0.00 H ATOM 1563 HD3 ARG B 44 8.878 13.452 17.732 1.00 0.00 H ATOM 1564 HE ARG B 44 8.396 15.662 19.533 1.00 0.00 H ATOM 1565 HH12 ARG B 44 6.114 15.402 16.155 1.00 0.00 H ATOM 1566 HH11 ARG B 44 7.667 14.492 16.239 1.00 0.00 H ATOM 1567 HH22 ARG B 44 5.441 16.692 17.919 1.00 0.00 H ATOM 1568 HH21 ARG B 44 6.458 16.806 19.401 1.00 0.00 H ATOM 1569 H ARG B 44 13.926 13.650 16.468 1.00 0.00 H ATOM 1570 N ARG B 45 11.631 17.324 16.697 1.00 39.40 N ATOM 1571 CA ARG B 45 11.579 18.593 17.393 1.00 38.59 C ATOM 1572 C ARG B 45 10.452 18.357 18.389 1.00 37.53 C ATOM 1573 O ARG B 45 9.699 17.392 18.255 1.00 37.44 O ATOM 1574 CB ARG B 45 11.185 19.741 16.468 1.00 39.09 C ATOM 1575 CG ARG B 45 11.190 21.089 17.188 1.00 41.50 C ATOM 1576 CD ARG B 45 10.655 22.212 16.319 1.00 44.98 C ATOM 1577 NE ARG B 45 10.802 23.534 16.938 1.00 45.28 N ATOM 1578 CZ ARG B 45 11.968 24.124 17.199 1.00 44.98 C ATOM 1579 NH1 ARG B 45 13.110 23.514 16.900 1.00 43.71 N ATOM 1580 NH2 ARG B 45 11.992 25.334 17.749 1.00 43.65 N ATOM 1581 HA ARG B 45 12.540 18.872 17.825 1.00 0.00 H ATOM 1582 HB2 ARG B 45 11.891 19.783 15.639 1.00 0.00 H ATOM 1583 HB3 ARG B 45 10.183 19.553 16.081 1.00 0.00 H ATOM 1584 HG2 ARG B 45 10.570 21.011 18.081 1.00 0.00 H ATOM 1585 HG3 ARG B 45 12.213 21.328 17.478 1.00 0.00 H ATOM 1586 HD2 ARG B 45 9.597 22.032 16.130 1.00 0.00 H ATOM 1587 HD3 ARG B 45 11.197 22.208 15.373 1.00 0.00 H ATOM 1588 HE ARG B 45 9.934 24.048 17.191 1.00 0.00 H ATOM 1589 HH12 ARG B 45 14.017 23.979 17.106 1.00 0.00 H ATOM 1590 HH11 ARG B 45 13.097 22.572 16.460 1.00 0.00 H ATOM 1591 HH22 ARG B 45 12.902 25.795 17.953 1.00 0.00 H ATOM 1592 HH21 ARG B 45 11.101 25.820 17.976 1.00 0.00 H ATOM 1593 H ARG B 45 10.794 17.018 16.161 1.00 0.00 H ATOM 1594 N GLY B 46 10.324 19.217 19.390 1.00 35.47 N ATOM 1595 CA GLY B 46 9.252 19.010 20.338 1.00 31.88 C ATOM 1596 C GLY B 46 9.436 19.702 21.661 1.00 28.98 C ATOM 1597 O GLY B 46 10.434 20.395 21.892 1.00 28.60 O ATOM 1598 HA3 GLY B 46 9.166 17.939 20.524 1.00 0.00 H ATOM 1599 HA2 GLY B 46 8.328 19.375 19.890 1.00 0.00 H ATOM 1600 H GLY B 46 10.978 20.020 19.491 1.00 0.00 H ATOM 1601 N LEU B 47 8.447 19.516 22.528 1.00 25.47 N ATOM 1602 CA LEU B 47 8.473 20.108 23.847 1.00 23.45 C ATOM 1603 C LEU B 47 9.180 19.168 24.802 1.00 21.08 C ATOM 1604 O LEU B 47 8.817 18.003 24.914 1.00 18.19 O ATOM 1605 CB LEU B 47 7.050 20.364 24.357 1.00 23.25 C ATOM 1606 CG LEU B 47 6.159 21.370 23.624 1.00 24.15 C ATOM 1607 CD1 LEU B 47 4.804 21.398 24.303 1.00 23.25 C ATOM 1608 CD2 LEU B 47 6.778 22.762 23.637 1.00 24.57 C ATOM 1609 HA LEU B 47 9.002 21.060 23.791 1.00 0.00 H ATOM 1610 HB2 LEU B 47 6.529 19.407 24.340 1.00 0.00 H ATOM 1611 HB3 LEU B 47 7.139 20.710 25.387 1.00 0.00 H ATOM 1612 HG LEU B 47 6.054 21.064 22.583 1.00 0.00 H ATOM 1613 HD21 LEU B 47 6.903 23.093 24.668 1.00 0.00 H ATOM 1614 HD22 LEU B 47 7.749 22.731 23.143 1.00 0.00 H ATOM 1615 HD23 LEU B 47 6.123 23.455 23.109 1.00 0.00 H ATOM 1616 HD11 LEU B 47 4.357 20.405 24.260 1.00 0.00 H ATOM 1617 HD12 LEU B 47 4.927 21.698 25.344 1.00 0.00 H ATOM 1618 HD13 LEU B 47 4.157 22.111 23.791 1.00 0.00 H ATOM 1619 H LEU B 47 7.634 18.930 22.251 1.00 0.00 H ATOM 1620 N PHE B 48 10.213 19.672 25.468 1.00 21.30 N ATOM 1621 CA PHE B 48 10.935 18.873 26.458 1.00 20.82 C ATOM 1622 C PHE B 48 10.969 19.713 27.743 1.00 19.33 C ATOM 1623 O PHE B 48 10.811 20.945 27.692 1.00 16.34 O ATOM 1624 CB PHE B 48 12.351 18.534 25.960 1.00 21.26 C ATOM 1625 CG PHE B 48 13.227 19.727 25.784 1.00 20.16 C ATOM 1626 CD1 PHE B 48 14.080 20.128 26.800 1.00 21.04 C ATOM 1627 CD2 PHE B 48 13.144 20.494 24.637 1.00 20.29 C ATOM 1628 CE1 PHE B 48 14.840 21.293 26.678 1.00 22.83 C ATOM 1629 CE2 PHE B 48 13.892 21.655 24.499 1.00 22.99 C ATOM 1630 CZ PHE B 48 14.744 22.059 25.525 1.00 21.77 C ATOM 1631 HA PHE B 48 10.443 17.917 26.637 1.00 0.00 H ATOM 1632 HB2 PHE B 48 12.820 17.867 26.683 1.00 0.00 H ATOM 1633 HB3 PHE B 48 12.266 18.025 25.000 1.00 0.00 H ATOM 1634 HD2 PHE B 48 12.482 20.183 23.829 1.00 0.00 H ATOM 1635 HE2 PHE B 48 13.813 22.250 23.589 1.00 0.00 H ATOM 1636 HZ PHE B 48 15.332 22.971 25.422 1.00 0.00 H ATOM 1637 HE1 PHE B 48 15.506 21.599 27.485 1.00 0.00 H ATOM 1638 HD1 PHE B 48 14.159 19.526 27.706 1.00 0.00 H ATOM 1639 H PHE B 48 10.513 20.650 25.283 1.00 0.00 H ATOM 1640 N PRO B 49 11.112 19.054 28.913 1.00 19.50 N ATOM 1641 CA PRO B 49 11.166 19.700 30.238 1.00 18.94 C ATOM 1642 C PRO B 49 12.506 20.414 30.469 1.00 20.46 C ATOM 1643 O PRO B 49 13.549 19.775 30.465 1.00 19.78 O ATOM 1644 CB PRO B 49 10.938 18.530 31.190 1.00 15.88 C ATOM 1645 CG PRO B 49 11.567 17.387 30.459 1.00 17.51 C ATOM 1646 CD PRO B 49 11.082 17.586 29.049 1.00 17.87 C ATOM 1647 HA PRO B 49 10.430 20.493 30.371 1.00 0.00 H ATOM 1648 HD3 PRO B 49 11.748 17.109 28.331 1.00 0.00 H ATOM 1649 HD2 PRO B 49 10.072 17.197 28.920 1.00 0.00 H ATOM 1650 HG3 PRO B 49 11.230 16.431 30.859 1.00 0.00 H ATOM 1651 HG2 PRO B 49 12.655 17.438 30.511 1.00 0.00 H ATOM 1652 HB2 PRO B 49 11.427 18.701 32.149 1.00 0.00 H ATOM 1653 HB3 PRO B 49 9.874 18.356 31.352 1.00 0.00 H ATOM 1654 N ASP B 50 12.469 21.733 30.677 1.00 22.27 N ATOM 1655 CA ASP B 50 13.688 22.530 30.856 1.00 25.22 C ATOM 1656 C ASP B 50 14.632 22.123 32.002 1.00 25.23 C ATOM 1657 O ASP B 50 15.854 22.187 31.851 1.00 24.85 O ATOM 1658 CB ASP B 50 13.324 24.026 30.968 1.00 27.37 C ATOM 1659 CG ASP B 50 12.881 24.430 32.366 1.00 30.84 C ATOM 1660 OD1 ASP B 50 12.187 23.637 33.032 1.00 34.84 O ATOM 1661 OD2 ASP B 50 13.215 25.554 32.800 1.00 30.95 O ATOM 1662 HA ASP B 50 14.273 22.322 29.960 1.00 0.00 H ATOM 1663 HB2 ASP B 50 14.199 24.617 30.697 1.00 0.00 H ATOM 1664 HB3 ASP B 50 12.513 24.239 30.272 1.00 0.00 H ATOM 1665 H ASP B 50 11.546 22.211 30.713 1.00 0.00 H ATOM 1666 N ASN B 51 14.076 21.688 33.130 1.00 27.45 N ATOM 1667 CA ASN B 51 14.894 21.283 34.278 1.00 26.93 C ATOM 1668 C ASN B 51 15.717 20.021 34.025 1.00 24.88 C ATOM 1669 O ASN B 51 16.532 19.643 34.854 1.00 26.39 O ATOM 1670 CB ASN B 51 14.025 21.105 35.551 1.00 26.98 C ATOM 1671 CG ASN B 51 12.950 20.015 35.411 1.00 28.06 C ATOM 1672 OD1 ASN B 51 12.076 20.099 34.549 1.00 28.54 O ATOM 1673 ND2 ASN B 51 13.014 18.994 36.268 1.00 25.17 N ATOM 1674 HA ASN B 51 15.603 22.096 34.434 1.00 0.00 H ATOM 1675 HB2 ASN B 51 14.679 20.840 36.382 1.00 0.00 H ATOM 1676 HB3 ASN B 51 13.531 22.052 35.767 1.00 0.00 H ATOM 1677 HD22 ASN B 51 13.769 18.961 36.982 1.00 0.00 H ATOM 1678 HD21 ASN B 51 12.308 18.231 36.222 1.00 0.00 H ATOM 1679 H ASN B 51 13.040 21.634 33.199 1.00 0.00 H ATOM 1680 N PHE B 52 15.515 19.381 32.878 1.00 23.78 N ATOM 1681 CA PHE B 52 16.259 18.163 32.540 1.00 23.61 C ATOM 1682 C PHE B 52 17.468 18.435 31.650 1.00 24.34 C ATOM 1683 O PHE B 52 18.214 17.523 31.302 1.00 24.02 O ATOM 1684 CB PHE B 52 15.362 17.161 31.818 1.00 21.03 C ATOM 1685 CG PHE B 52 14.325 16.543 32.686 1.00 19.44 C ATOM 1686 CD1 PHE B 52 14.128 15.176 32.665 1.00 18.73 C ATOM 1687 CD2 PHE B 52 13.530 17.324 33.509 1.00 19.10 C ATOM 1688 CE1 PHE B 52 13.152 14.594 33.451 1.00 19.12 C ATOM 1689 CE2 PHE B 52 12.553 16.752 34.294 1.00 18.84 C ATOM 1690 CZ PHE B 52 12.363 15.381 34.264 1.00 18.11 C ATOM 1691 HA PHE B 52 16.607 17.758 33.490 1.00 0.00 H ATOM 1692 HB2 PHE B 52 14.861 17.677 30.999 1.00 0.00 H ATOM 1693 HB3 PHE B 52 15.990 16.367 31.415 1.00 0.00 H ATOM 1694 HD2 PHE B 52 13.679 18.403 33.536 1.00 0.00 H ATOM 1695 HE2 PHE B 52 11.932 17.376 34.936 1.00 0.00 H ATOM 1696 HZ PHE B 52 11.591 14.924 34.882 1.00 0.00 H ATOM 1697 HE1 PHE B 52 13.006 13.514 33.429 1.00 0.00 H ATOM 1698 HD1 PHE B 52 14.748 14.551 32.023 1.00 0.00 H ATOM 1699 H PHE B 52 14.814 19.752 32.205 1.00 0.00 H ATOM 1700 N VAL B 53 17.652 19.690 31.270 1.00 27.15 N ATOM 1701 CA VAL B 53 18.763 20.056 30.404 1.00 28.19 C ATOM 1702 C VAL B 53 19.443 21.312 30.918 1.00 29.00 C ATOM 1703 O VAL B 53 18.878 22.057 31.727 1.00 28.06 O ATOM 1704 CB VAL B 53 18.279 20.314 28.960 1.00 28.46 C ATOM 1705 CG1 VAL B 53 17.565 19.085 28.420 1.00 26.93 C ATOM 1706 CG2 VAL B 53 17.347 21.515 28.933 1.00 28.44 C ATOM 1707 HA VAL B 53 19.467 19.224 30.405 1.00 0.00 H ATOM 1708 HB VAL B 53 19.143 20.522 28.329 1.00 0.00 H ATOM 1709 HG11 VAL B 53 18.251 18.238 28.422 1.00 0.00 H ATOM 1710 HG12 VAL B 53 16.705 18.859 29.051 1.00 0.00 H ATOM 1711 HG13 VAL B 53 17.229 19.280 27.402 1.00 0.00 H ATOM 1712 HG21 VAL B 53 16.486 21.319 29.572 1.00 0.00 H ATOM 1713 HG22 VAL B 53 17.879 22.394 29.297 1.00 0.00 H ATOM 1714 HG23 VAL B 53 17.011 21.689 27.911 1.00 0.00 H ATOM 1715 H VAL B 53 16.993 20.425 31.595 1.00 0.00 H ATOM 1716 N ARG B 54 20.668 21.528 30.456 1.00 29.44 N ATOM 1717 CA ARG B 54 21.422 22.713 30.845 1.00 31.64 C ATOM 1718 C ARG B 54 21.647 23.545 29.585 1.00 31.18 C ATOM 1719 O ARG B 54 21.933 23.004 28.512 1.00 30.54 O ATOM 1720 CB ARG B 54 22.772 22.330 31.481 1.00 30.18 C ATOM 1721 CG ARG B 54 22.682 21.566 32.798 1.00 30.10 C ATOM 1722 CD ARG B 54 21.957 22.343 33.892 1.00 32.15 C ATOM 1723 NE ARG B 54 22.006 21.616 35.159 1.00 35.66 N ATOM 1724 CZ ARG B 54 22.806 21.928 36.178 1.00 37.16 C ATOM 1725 NH1 ARG B 54 23.622 22.970 36.089 1.00 38.72 N ATOM 1726 NH2 ARG B 54 22.817 21.183 37.279 1.00 37.49 N ATOM 1727 HA ARG B 54 20.866 23.280 31.591 1.00 0.00 H ATOM 1728 HB2 ARG B 54 23.316 21.710 30.769 1.00 0.00 H ATOM 1729 HB3 ARG B 54 23.331 23.248 31.662 1.00 0.00 H ATOM 1730 HG2 ARG B 54 22.147 20.633 32.622 1.00 0.00 H ATOM 1731 HG3 ARG B 54 23.693 21.345 33.141 1.00 0.00 H ATOM 1732 HD2 ARG B 54 20.916 22.486 33.601 1.00 0.00 H ATOM 1733 HD3 ARG B 54 22.434 23.315 34.018 1.00 0.00 H ATOM 1734 HE ARG B 54 21.373 20.799 35.273 1.00 0.00 H ATOM 1735 HH12 ARG B 54 24.246 23.212 36.885 1.00 0.00 H ATOM 1736 HH11 ARG B 54 23.638 23.545 35.223 1.00 0.00 H ATOM 1737 HH22 ARG B 54 23.444 21.433 38.070 1.00 0.00 H ATOM 1738 HH21 ARG B 54 22.198 20.350 37.349 1.00 0.00 H ATOM 1739 H ARG B 54 21.097 20.840 29.805 1.00 0.00 H ATOM 1740 N GLU B 55 21.493 24.859 29.716 1.00 33.12 N ATOM 1741 CA GLU B 55 21.676 25.769 28.590 1.00 34.80 C ATOM 1742 C GLU B 55 23.173 26.010 28.373 1.00 36.57 C ATOM 1743 O GLU B 55 23.913 26.219 29.334 1.00 35.60 O ATOM 1744 CB GLU B 55 20.933 27.081 28.873 1.00 33.97 C ATOM 1745 CG GLU B 55 21.023 28.112 27.775 1.00 34.35 C ATOM 1746 CD GLU B 55 20.123 29.305 28.032 1.00 34.05 C ATOM 1747 OE1 GLU B 55 19.931 29.652 29.215 1.00 33.56 O ATOM 1748 OE2 GLU B 55 19.622 29.899 27.051 1.00 33.30 O ATOM 1749 HA GLU B 55 21.265 25.334 27.679 1.00 0.00 H ATOM 1750 HB2 GLU B 55 19.880 26.847 29.032 1.00 0.00 H ATOM 1751 HB3 GLU B 55 21.349 27.517 29.782 1.00 0.00 H ATOM 1752 HG2 GLU B 55 22.054 28.459 27.703 1.00 0.00 H ATOM 1753 HG3 GLU B 55 20.730 27.648 26.833 1.00 0.00 H ATOM 1754 H GLU B 55 21.235 25.249 30.645 1.00 0.00 H ATOM 1755 N ILE B 56 23.607 25.950 27.113 1.00 39.50 N ATOM 1756 CA ILE B 56 25.015 26.139 26.736 1.00 42.67 C ATOM 1757 C ILE B 56 25.393 27.625 26.756 1.00 45.61 C ATOM 1758 O ILE B 56 24.513 28.480 26.708 1.00 46.92 O ATOM 1759 CB ILE B 56 25.281 25.575 25.307 1.00 40.89 C ATOM 1760 CG1 ILE B 56 24.734 24.153 25.200 1.00 38.14 C ATOM 1761 CG2 ILE B 56 26.779 25.573 25.003 1.00 39.43 C ATOM 1762 CD1 ILE B 56 25.340 23.210 26.197 1.00 36.08 C ATOM 1763 HA ILE B 56 25.623 25.601 27.463 1.00 0.00 H ATOM 1764 HB ILE B 56 24.776 26.214 24.582 1.00 0.00 H ATOM 1765 HG12 ILE B 56 23.656 24.183 25.362 1.00 0.00 H ATOM 1766 HG13 ILE B 56 24.939 23.777 24.198 1.00 0.00 H ATOM 1767 HD11 ILE B 56 26.418 23.161 26.041 1.00 0.00 H ATOM 1768 HD12 ILE B 56 25.134 23.568 27.206 1.00 0.00 H ATOM 1769 HD13 ILE B 56 24.908 22.218 26.066 1.00 0.00 H ATOM 1770 HG21 ILE B 56 27.161 26.592 25.059 1.00 0.00 H ATOM 1771 HG22 ILE B 56 27.296 24.949 25.732 1.00 0.00 H ATOM 1772 HG23 ILE B 56 26.945 25.176 24.001 1.00 0.00 H ATOM 1773 H ILE B 56 22.915 25.760 26.360 1.00 0.00 H ATOM 1774 N LYS B 57 26.692 27.928 26.820 1.00 48.85 N ATOM 1775 CA LYS B 57 27.159 29.320 26.838 1.00 52.33 C ATOM 1776 C LYS B 57 27.764 29.824 25.522 1.00 54.96 C ATOM 1777 O LYS B 57 28.351 29.057 24.754 1.00 55.13 O ATOM 1778 CB LYS B 57 28.189 29.533 27.959 1.00 52.10 C ATOM 1779 CG LYS B 57 28.976 30.852 27.839 1.00 51.80 C ATOM 1780 CD LYS B 57 29.944 31.066 28.995 1.00 52.11 C ATOM 1781 CE LYS B 57 30.921 32.206 28.717 1.00 52.08 C ATOM 1782 NZ LYS B 57 31.885 31.878 27.623 1.00 53.01 N ATOM 1783 HA LYS B 57 26.254 29.903 27.009 1.00 0.00 H ATOM 1784 HB2 LYS B 57 27.663 29.532 28.914 1.00 0.00 H ATOM 1785 HB3 LYS B 57 28.899 28.706 27.936 1.00 0.00 H ATOM 1786 HG2 LYS B 57 29.542 30.837 26.908 1.00 0.00 H ATOM 1787 HG3 LYS B 57 28.268 31.680 27.819 1.00 0.00 H ATOM 1788 HD2 LYS B 57 29.374 31.302 29.893 1.00 0.00 H ATOM 1789 HD3 LYS B 57 30.510 30.148 29.156 1.00 0.00 H ATOM 1790 HE2 LYS B 57 31.483 32.416 29.627 1.00 0.00 H ATOM 1791 HE3 LYS B 57 30.354 33.091 28.430 1.00 0.00 H ATOM 1792 HZ1 LYS B 57 32.438 31.039 27.890 1.00 0.00 H ATOM 1793 HZ2 LYS B 57 31.360 31.684 26.747 1.00 0.00 H ATOM 1794 HZ3 LYS B 57 32.525 32.684 27.474 1.00 0.00 H ATOM 1795 H LYS B 57 27.391 27.159 26.858 1.00 0.00 H ATOM 1796 N LYS B 58 27.620 31.129 25.288 1.00 57.60 N ATOM 1797 CA LYS B 58 28.158 31.800 24.103 1.00 59.75 C ATOM 1798 C LYS B 58 27.637 31.270 22.770 1.00 60.67 C ATOM 1799 O LYS B 58 26.545 31.711 22.347 1.00 60.56 O ATOM 1800 CB LYS B 58 29.692 31.726 24.113 1.00 60.54 C ATOM 1801 CG LYS B 58 30.373 32.636 25.129 1.00 61.46 C ATOM 1802 CD LYS B 58 30.429 34.084 24.645 1.00 62.46 C ATOM 1803 CE LYS B 58 29.045 34.715 24.539 1.00 62.58 C ATOM 1804 NZ LYS B 58 29.080 36.060 23.896 1.00 62.87 N ATOM 1805 HA LYS B 58 27.808 32.830 24.172 1.00 0.00 H ATOM 1806 OXT LYS B 58 28.329 30.420 22.165 1.00 62.51 O ATOM 1807 HB2 LYS B 58 29.980 30.698 24.333 1.00 0.00 H ATOM 1808 HB3 LYS B 58 30.051 31.998 23.120 1.00 0.00 H ATOM 1809 HG2 LYS B 58 29.817 32.598 26.066 1.00 0.00 H ATOM 1810 HG3 LYS B 58 31.390 32.280 25.297 1.00 0.00 H ATOM 1811 HD2 LYS B 58 31.026 34.665 25.347 1.00 0.00 H ATOM 1812 HD3 LYS B 58 30.901 34.107 23.663 1.00 0.00 H ATOM 1813 HE2 LYS B 58 28.629 34.817 25.541 1.00 0.00 H ATOM 1814 HE3 LYS B 58 28.406 34.060 23.946 1.00 0.00 H ATOM 1815 HZ1 LYS B 58 29.681 36.696 24.458 1.00 0.00 H ATOM 1816 HZ2 LYS B 58 29.468 35.974 22.935 1.00 0.00 H ATOM 1817 HZ3 LYS B 58 28.115 36.445 23.848 1.00 0.00 H ATOM 1818 H LYS B 58 27.098 31.700 25.983 1.00 0.00 H TER 1819 LYS B 58 HETATM 1820 O HOH 1 12.746 30.342 56.210 1.00 32.21 O HETATM 1821 O HOH 2 14.187 32.843 50.783 1.00 58.18 O HETATM 1822 O HOH 3 -0.471 26.744 34.948 1.00 39.34 O HETATM 1823 O HOH 4 10.554 27.216 39.099 1.00 24.81 O HETATM 1824 O HOH 5 -1.599 24.474 39.288 1.00 38.05 O HETATM 1825 O HOH 6 0.638 27.450 37.876 1.00 32.92 O HETATM 1826 O HOH 7 7.488 26.536 39.659 1.00 24.00 O HETATM 1827 O HOH 8 0.255 19.374 39.575 1.00 33.90 O HETATM 1828 O HOH 9 -1.491 21.675 40.439 1.00 26.67 O HETATM 1829 O HOH 10 1.374 14.919 42.567 1.00 29.00 O HETATM 1830 O HOH 11 -1.539 7.637 48.698 1.00 29.75 O HETATM 1831 O HOH 12 2.307 7.490 46.238 1.00 44.30 O HETATM 1832 O HOH 13 2.357 11.904 43.211 1.00 41.84 O HETATM 1833 O HOH 14 19.164 16.884 56.742 1.00 34.54 O HETATM 1834 O HOH 15 9.808 11.668 56.414 1.00 29.13 O HETATM 1835 O HOH 16 5.336 12.165 53.525 1.00 38.91 O HETATM 1836 O HOH 17 2.912 18.849 54.789 1.00 32.78 O HETATM 1837 O HOH 18 -1.272 17.858 47.137 1.00 43.05 O HETATM 1838 O HOH 19 -2.010 30.451 50.639 1.00 32.88 O HETATM 1839 O HOH 20 -1.060 24.609 54.670 1.00 35.77 O HETATM 1840 O HOH 21 17.245 27.459 57.644 1.00 40.85 O HETATM 1841 O HOH 22 18.412 23.629 57.960 1.00 34.60 O HETATM 1842 O HOH 23 24.560 23.594 39.336 1.00 42.77 O HETATM 1843 O HOH 24 22.458 16.367 44.282 1.00 37.15 O HETATM 1844 O HOH 25 17.943 17.260 44.745 1.00 18.77 O HETATM 1845 O HOH 26 19.297 19.358 38.511 1.00 21.59 O HETATM 1846 O HOH 27 18.232 14.408 40.158 1.00 19.47 O HETATM 1847 O HOH 28 18.532 19.722 58.232 1.00 34.68 O HETATM 1848 O HOH 29 1.293 18.987 61.129 1.00 43.98 O HETATM 1849 O HOH 30 4.282 15.373 53.969 1.00 17.70 O HETATM 1850 O HOH 31 7.323 15.159 58.224 1.00 41.80 O HETATM 1851 O HOH 32 15.887 22.364 39.202 1.00 46.52 O HETATM 1852 O HOH 33 14.389 26.338 40.913 1.00 31.71 O HETATM 1853 O HOH 34 17.559 21.435 42.551 1.00 22.93 O HETATM 1854 O HOH 35 9.880 22.776 35.576 1.00 11.56 O HETATM 1855 O HOH 36 13.477 20.546 39.382 1.00 23.74 O HETATM 1856 O HOH 37 15.414 30.637 42.905 1.00 26.09 O HETATM 1857 O HOH 38 12.438 29.563 42.648 1.00 38.63 O HETATM 1858 O HOH 39 10.439 41.534 48.588 1.00 20.28 O HETATM 1859 O HOH 40 16.945 29.383 18.663 1.00 43.44 O HETATM 1860 O HOH 41 20.431 30.291 17.679 1.00 38.69 O HETATM 1861 O HOH 42 22.251 28.504 23.969 1.00 30.57 O HETATM 1862 O HOH 43 17.107 9.878 36.077 1.00 40.91 O HETATM 1863 O HOH 44 20.848 11.887 34.736 1.00 33.64 O HETATM 1864 O HOH 45 22.333 18.501 38.953 1.00 35.53 O HETATM 1865 O HOH 46 18.666 10.012 33.255 1.00 19.89 O HETATM 1866 O HOH 47 14.998 12.200 34.815 1.00 30.64 O HETATM 1867 O HOH 48 20.579 7.439 28.536 1.00 23.84 O HETATM 1868 O HOH 49 8.164 10.811 31.194 1.00 30.89 O HETATM 1869 O HOH 50 -1.427 13.267 23.952 1.00 39.60 O HETATM 1870 O HOH 51 -0.836 15.458 19.979 1.00 34.74 O HETATM 1871 O HOH 52 3.879 15.709 30.251 1.00 24.43 O HETATM 1872 O HOH 53 13.855 24.382 37.155 1.00 30.11 O HETATM 1873 O HOH 54 18.358 23.460 35.891 1.00 38.03 O HETATM 1874 O HOH 55 16.560 11.546 21.711 1.00 33.62 O HETATM 1875 O HOH 56 24.949 10.788 24.076 1.00 29.84 O HETATM 1876 O HOH 57 21.332 18.017 18.114 1.00 37.61 O HETATM 1877 O HOH 58 19.354 27.129 17.403 1.00 46.59 O HETATM 1878 O HOH 59 11.791 29.401 16.802 1.00 38.35 O HETATM 1879 O HOH 60 12.590 31.923 23.066 1.00 33.61 O HETATM 1880 O HOH 61 8.450 33.711 35.345 1.00 30.62 O HETATM 1881 O HOH 62 10.058 27.169 31.843 1.00 32.08 O HETATM 1882 O HOH 63 10.900 19.331 13.339 1.00 46.17 O HETATM 1883 O HOH 64 11.590 26.342 15.196 1.00 47.29 O HETATM 1884 O HOH 65 12.534 28.512 33.290 1.00 30.81 O HETATM 1885 O HOH 66 15.823 26.019 34.921 1.00 47.58 O HETATM 1886 O HOH 67 16.431 19.818 37.585 1.00 34.91 O HETATM 1887 O HOH 68 19.036 20.498 34.971 1.00 29.70 O HETATM 1888 O HOH 69 19.295 25.707 31.558 1.00 21.31 O HETATM 1889 O HOH 70 10.789 10.637 33.200 1.00 37.83 O HETATM 1890 O HOH 71 2.410 26.594 33.855 1.00 31.84 O HETATM 1891 O HOH 72 16.392 12.839 45.869 1.00 31.12 O HETATM 1892 O HOH 73 11.215 11.165 41.040 1.00 23.70 O HETATM 1893 O HOH 74 12.091 12.024 35.821 1.00 30.07 O HETATM 1894 O HOH 75 9.883 10.805 38.272 1.00 35.03 O HETATM 1895 O HOH 76 12.242 17.906 39.738 1.00 21.89 O HETATM 1896 O HOH 77 5.533 15.801 36.665 1.00 17.24 O HETATM 1897 O HOH 78 4.686 27.389 35.671 1.00 24.65 O HETATM 1898 O HOH 79 9.501 20.537 33.628 1.00 23.29 O HETATM 1899 O HOH 80 3.210 23.947 32.994 1.00 23.18 O HETATM 1900 O HOH 81 1.334 17.202 33.335 1.00 19.58 O HETATM 1901 O HOH 82 -4.210 22.940 31.096 1.00 33.18 O HETATM 1902 N PRO A 83 23.387 10.916 44.975 1.00 0.25 N HETATM 1903 CA PRO A 83 22.425 10.362 43.990 1.00 0.07 C HETATM 1904 C PRO A 83 21.022 10.833 44.333 1.00 0.23 C HETATM 1905 O PRO A 83 20.360 10.249 45.193 1.00 -0.39 O HETATM 1906 N PRO A 83 20.579 11.901 43.677 1.00 -0.26 N HETATM 1907 CA PRO A 83 19.247 12.436 43.921 1.00 0.13 C HETATM 1908 C PRO A 83 18.273 11.606 43.101 1.00 0.20 C HETATM 1909 O PRO A 83 18.675 10.995 42.116 1.00 -0.39 O HETATM 1910 N PRO A 83 17.006 11.561 43.500 1.00 -0.26 N HETATM 1911 CA PRO A 83 16.038 10.788 42.732 1.00 0.13 C HETATM 1912 C PRO A 83 15.754 11.516 41.421 1.00 0.21 C HETATM 1913 O PRO A 83 16.113 12.681 41.263 1.00 -0.39 O HETATM 1914 N PRO A 83 15.121 10.838 40.456 1.00 -0.25 N HETATM 1915 CA PRO A 83 14.838 11.510 39.186 1.00 0.13 C HETATM 1916 C PRO A 83 13.982 12.755 39.391 1.00 0.21 C HETATM 1917 O PRO A 83 13.044 12.747 40.193 1.00 -0.39 O HETATM 1918 N PRO A 83 14.304 13.848 38.676 1.00 -0.25 N HETATM 1919 CA PRO A 83 13.530 15.084 38.804 1.00 0.13 C HETATM 1920 C PRO A 83 12.150 14.898 38.181 1.00 0.20 C HETATM 1921 O PRO A 83 11.925 13.970 37.413 1.00 -0.39 O HETATM 1922 N PRO A 83 11.220 15.772 38.531 1.00 -0.26 N HETATM 1923 CA PRO A 83 9.879 15.677 37.999 1.00 0.13 C HETATM 1924 C PRO A 83 9.610 16.819 37.048 1.00 0.21 C HETATM 1925 O PRO A 83 10.025 17.948 37.275 1.00 -0.39 O HETATM 1926 N PRO A 83 8.936 16.533 35.938 1.00 -0.25 N HETATM 1927 CA PRO A 83 8.669 17.637 35.024 1.00 0.13 C HETATM 1928 C PRO A 83 7.517 18.452 35.612 1.00 0.20 C HETATM 1929 O PRO A 83 6.702 17.935 36.378 1.00 -0.39 O HETATM 1930 N PRO A 83 7.452 19.728 35.273 1.00 -0.26 N HETATM 1931 CA PRO A 83 6.367 20.555 35.771 1.00 0.13 C HETATM 1932 C PRO A 83 5.141 20.122 34.960 1.00 0.21 C HETATM 1933 O PRO A 83 5.250 19.817 33.763 1.00 -0.39 O HETATM 1934 N PRO A 83 3.962 20.071 35.598 1.00 -0.25 N HETATM 1935 CA PRO A 83 2.738 19.666 34.903 1.00 0.13 C HETATM 1936 C PRO A 83 2.472 20.439 33.608 1.00 0.20 C HETATM 1937 O PRO A 83 2.849 21.606 33.486 1.00 -0.39 O HETATM 1938 N PRO A 83 1.825 19.775 32.649 1.00 -0.26 N HETATM 1939 CA PRO A 83 1.451 20.393 31.374 1.00 0.13 C HETATM 1940 C PRO A 83 0.146 21.167 31.636 1.00 0.20 C HETATM 1941 O PRO A 83 -0.932 20.570 31.728 1.00 -0.39 O HETATM 1942 N PRO A 83 0.244 22.488 31.767 1.00 -0.27 N HETATM 1943 CA PRO A 83 -0.930 23.322 32.045 1.00 0.09 C HETATM 1944 C PRO A 83 -1.084 24.438 31.022 1.00 0.06 C HETATM 1945 O PRO A 83 -2.223 24.708 30.588 1.00 -0.57 O HETATM 1946 OXT PRO A 83 -0.051 25.048 30.687 1.00 -0.57 O HETATM 1947 CB PRO A 83 -0.824 23.940 33.449 1.00 -0.01 C HETATM 1948 CG PRO A 83 -0.848 22.938 34.608 1.00 -0.02 C HETATM 1949 CD PRO A 83 -2.257 22.450 34.918 1.00 0.06 C HETATM 1950 NE PRO A 83 -2.298 21.544 36.068 1.00 -0.27 N HETATM 1951 CZ PRO A 83 -1.973 20.250 36.036 1.00 0.29 C HETATM 1952 NH1 PRO A 83 -2.045 19.517 37.141 1.00 -0.28 N HETATM 1953 H104 PRO A 83 -1.794 18.518 37.114 1.00 0.26 H HETATM 1954 H105 PRO A 83 -2.352 19.947 38.025 1.00 0.26 H HETATM 1955 NH2 PRO A 83 -1.586 19.681 34.905 1.00 -0.28 N HETATM 1956 H106 PRO A 83 -1.526 20.239 34.042 1.00 0.26 H HETATM 1957 H107 PRO A 83 -1.345 18.680 34.889 1.00 0.26 H HETATM 1958 H103 PRO A 83 -2.601 21.936 36.971 1.00 0.26 H HETATM 1959 H101 PRO A 83 -2.648 21.919 34.037 1.00 0.07 H HETATM 1960 H102 PRO A 83 -2.893 23.322 35.133 1.00 0.07 H HETATM 1961 H99 PRO A 83 -0.436 23.424 35.505 1.00 0.03 H HETATM 1962 H100 PRO A 83 -0.224 22.072 34.341 1.00 0.03 H HETATM 1963 H97 PRO A 83 -1.669 24.632 33.581 1.00 0.03 H HETATM 1964 H98 PRO A 83 0.121 24.500 33.504 1.00 0.03 H HETATM 1965 H96 PRO A 83 -1.825 22.684 32.004 1.00 0.07 H HETATM 1966 H95 PRO A 83 1.140 22.922 31.674 1.00 0.19 H HETATM 1967 CB PRO A 83 1.207 19.316 30.311 1.00 -0.01 C HETATM 1968 CG PRO A 83 2.442 18.520 29.875 1.00 -0.02 C HETATM 1969 CD PRO A 83 3.369 19.328 28.967 1.00 0.06 C HETATM 1970 NE PRO A 83 2.659 20.009 27.876 1.00 -0.27 N HETATM 1971 CZ PRO A 83 2.390 19.495 26.673 1.00 0.29 C HETATM 1972 NH1 PRO A 83 1.732 20.221 25.779 1.00 -0.28 N HETATM 1973 H91 PRO A 83 1.523 19.828 24.850 1.00 0.26 H HETATM 1974 H92 PRO A 83 1.430 21.177 26.014 1.00 0.26 H HETATM 1975 NH2 PRO A 83 2.791 18.274 26.344 1.00 -0.28 N HETATM 1976 H93 PRO A 83 3.303 17.698 27.028 1.00 0.26 H HETATM 1977 H94 PRO A 83 2.590 17.902 25.405 1.00 0.26 H HETATM 1978 H90 PRO A 83 2.339 20.971 28.055 1.00 0.26 H HETATM 1979 H88 PRO A 83 4.112 18.645 28.529 1.00 0.07 H HETATM 1980 H89 PRO A 83 3.883 20.086 29.577 1.00 0.07 H HETATM 1981 H86 PRO A 83 2.110 17.623 29.331 1.00 0.03 H HETATM 1982 H87 PRO A 83 3.002 18.218 30.772 1.00 0.03 H HETATM 1983 H84 PRO A 83 0.791 19.809 29.420 1.00 0.03 H HETATM 1984 H85 PRO A 83 0.471 18.604 30.714 1.00 0.03 H HETATM 1985 H83 PRO A 83 2.243 21.077 31.034 1.00 0.08 H HETATM 1986 H82 PRO A 83 1.585 18.817 32.806 1.00 0.19 H HETATM 1987 CB PRO A 83 1.654 19.925 35.948 1.00 -0.01 C HETATM 1988 CG PRO A 83 2.365 19.653 37.233 1.00 -0.03 C HETATM 1989 CD PRO A 83 3.686 20.357 37.016 1.00 0.04 C HETATM 1990 H80 PRO A 83 3.595 21.439 37.194 1.00 0.05 H HETATM 1991 H81 PRO A 83 4.470 19.942 37.666 1.00 0.05 H HETATM 1992 H78 PRO A 83 2.508 18.574 37.390 1.00 0.03 H HETATM 1993 H79 PRO A 83 1.821 20.079 38.089 1.00 0.03 H HETATM 1994 H76 PRO A 83 0.802 19.242 35.814 1.00 0.03 H HETATM 1995 H77 PRO A 83 1.300 20.966 35.903 1.00 0.03 H HETATM 1996 H75 PRO A 83 2.785 18.595 34.658 1.00 0.08 H HETATM 1997 CB PRO A 83 6.678 22.033 35.527 1.00 -0.01 C HETATM 1998 CG PRO A 83 5.927 23.003 36.426 1.00 -0.02 C HETATM 1999 CD PRO A 83 6.247 24.459 36.068 1.00 0.06 C HETATM 2000 NE PRO A 83 7.683 24.689 35.895 1.00 -0.27 N HETATM 2001 CZ PRO A 83 8.237 25.888 35.728 1.00 0.29 C HETATM 2002 NH1 PRO A 83 9.554 26.002 35.573 1.00 -0.28 N HETATM 2003 H71 PRO A 83 9.979 26.931 35.444 1.00 0.26 H HETATM 2004 H72 PRO A 83 10.148 25.161 35.582 1.00 0.26 H HETATM 2005 NH2 PRO A 83 7.475 26.975 35.732 1.00 -0.28 N HETATM 2006 H73 PRO A 83 6.456 26.889 35.852 1.00 0.26 H HETATM 2007 H74 PRO A 83 7.903 27.904 35.615 1.00 0.26 H HETATM 2008 H70 PRO A 83 8.306 23.869 35.903 1.00 0.26 H HETATM 2009 H68 PRO A 83 5.880 25.110 36.875 1.00 0.07 H HETATM 2010 H69 PRO A 83 5.733 24.713 35.129 1.00 0.07 H HETATM 2011 H66 PRO A 83 6.216 22.820 37.471 1.00 0.03 H HETATM 2012 H67 PRO A 83 4.846 22.835 36.310 1.00 0.03 H HETATM 2013 H64 PRO A 83 6.423 22.268 34.483 1.00 0.03 H HETATM 2014 H65 PRO A 83 7.756 22.186 35.685 1.00 0.03 H HETATM 2015 H63 PRO A 83 6.205 20.383 36.845 1.00 0.08 H HETATM 2016 H62 PRO A 83 8.149 20.123 34.675 1.00 0.19 H HETATM 2017 CB PRO A 83 8.261 16.927 33.733 1.00 -0.01 C HETATM 2018 CG PRO A 83 8.766 15.512 33.903 1.00 -0.03 C HETATM 2019 CD PRO A 83 8.530 15.251 35.348 1.00 0.04 C HETATM 2020 H60 PRO A 83 7.471 15.031 35.550 1.00 0.05 H HETATM 2021 H61 PRO A 83 9.153 14.422 35.715 1.00 0.05 H HETATM 2022 H58 PRO A 83 9.836 15.441 33.657 1.00 0.03 H HETATM 2023 H59 PRO A 83 8.197 14.810 33.275 1.00 0.03 H HETATM 2024 H56 PRO A 83 8.731 17.405 32.861 1.00 0.03 H HETATM 2025 H57 PRO A 83 7.168 16.938 33.612 1.00 0.03 H HETATM 2026 H55 PRO A 83 9.553 18.274 34.870 1.00 0.08 H HETATM 2027 CB PRO A 83 8.872 15.685 39.144 1.00 -0.01 C HETATM 2028 CG PRO A 83 8.758 14.346 39.832 1.00 -0.04 C HETATM 2029 CD PRO A 83 7.474 13.627 39.407 1.00 -0.01 C HETATM 2030 CE PRO A 83 7.561 12.123 39.656 1.00 -0.04 C HETATM 2031 NZ PRO A 83 8.325 11.799 40.902 1.00 0.22 N HETATM 2032 H52 PRO A 83 8.357 10.799 41.026 1.00 0.20 H HETATM 2033 H53 PRO A 83 7.869 12.222 41.695 1.00 0.20 H HETATM 2034 H54 PRO A 83 9.264 12.158 40.824 1.00 0.20 H HETATM 2035 H50 PRO A 83 8.064 11.651 38.799 1.00 0.08 H HETATM 2036 H51 PRO A 83 6.542 11.720 39.751 1.00 0.08 H HETATM 2037 H48 PRO A 83 7.306 13.802 38.334 1.00 0.03 H HETATM 2038 H49 PRO A 83 6.630 14.035 39.982 1.00 0.03 H HETATM 2039 H46 PRO A 83 8.742 14.500 40.921 1.00 0.03 H HETATM 2040 H47 PRO A 83 9.626 13.726 39.562 1.00 0.03 H HETATM 2041 H44 PRO A 83 7.885 15.959 38.742 1.00 0.03 H HETATM 2042 H45 PRO A 83 9.188 16.435 39.884 1.00 0.03 H HETATM 2043 H43 PRO A 83 9.782 14.730 37.448 1.00 0.08 H HETATM 2044 H42 PRO A 83 11.447 16.506 39.171 1.00 0.19 H HETATM 2045 CB PRO A 83 14.387 16.106 38.063 1.00 -0.01 C HETATM 2046 CG PRO A 83 15.056 15.283 37.015 1.00 -0.03 C HETATM 2047 CD PRO A 83 15.452 14.043 37.775 1.00 0.04 C HETATM 2048 H40 PRO A 83 15.578 13.185 37.099 1.00 0.05 H HETATM 2049 H41 PRO A 83 16.381 14.203 38.342 1.00 0.05 H HETATM 2050 H38 PRO A 83 15.939 15.799 36.608 1.00 0.03 H HETATM 2051 H39 PRO A 83 14.362 15.042 36.196 1.00 0.03 H HETATM 2052 H36 PRO A 83 15.126 16.566 38.736 1.00 0.03 H HETATM 2053 H37 PRO A 83 13.764 16.892 37.611 1.00 0.03 H HETATM 2054 H35 PRO A 83 13.414 15.372 39.859 1.00 0.08 H HETATM 2055 CB PRO A 83 14.100 10.439 38.380 1.00 -0.01 C HETATM 2056 CG PRO A 83 14.625 9.158 38.938 1.00 -0.03 C HETATM 2057 CD PRO A 83 14.672 9.436 40.424 1.00 0.04 C HETATM 2058 H33 PRO A 83 13.679 9.323 40.884 1.00 0.05 H HETATM 2059 H34 PRO A 83 15.389 8.774 40.932 1.00 0.05 H HETATM 2060 H31 PRO A 83 15.628 8.935 38.544 1.00 0.03 H HETATM 2061 H32 PRO A 83 13.948 8.320 38.713 1.00 0.03 H HETATM 2062 H29 PRO A 83 14.331 10.525 37.308 1.00 0.03 H HETATM 2063 H30 PRO A 83 13.013 10.516 38.528 1.00 0.03 H HETATM 2064 H28 PRO A 83 15.773 11.798 38.682 1.00 0.08 H HETATM 2065 CB PRO A 83 14.750 10.591 43.529 1.00 -0.01 C HETATM 2066 CG PRO A 83 13.854 11.795 43.658 1.00 -0.02 C HETATM 2067 CD PRO A 83 12.969 11.629 44.892 1.00 0.06 C HETATM 2068 NE PRO A 83 13.794 11.613 46.097 1.00 -0.27 N HETATM 2069 CZ PRO A 83 13.352 11.365 47.324 1.00 0.29 C HETATM 2070 NH1 PRO A 83 12.073 11.101 47.533 1.00 -0.28 N HETATM 2071 H24 PRO A 83 11.736 10.909 48.487 1.00 0.26 H HETATM 2072 H25 PRO A 83 11.414 11.087 46.742 1.00 0.26 H HETATM 2073 NH2 PRO A 83 14.192 11.391 48.346 1.00 -0.28 N HETATM 2074 H26 PRO A 83 15.189 11.596 48.188 1.00 0.26 H HETATM 2075 H27 PRO A 83 13.849 11.206 49.299 1.00 0.26 H HETATM 2076 H23 PRO A 83 14.799 11.810 45.986 1.00 0.26 H HETATM 2077 H21 PRO A 83 12.414 10.682 44.818 1.00 0.07 H HETATM 2078 H22 PRO A 83 12.259 12.467 44.947 1.00 0.07 H HETATM 2079 H19 PRO A 83 13.223 11.883 42.761 1.00 0.03 H HETATM 2080 H20 PRO A 83 14.468 12.701 43.764 1.00 0.03 H HETATM 2081 H17 PRO A 83 15.029 10.271 44.544 1.00 0.03 H HETATM 2082 H18 PRO A 83 14.171 9.794 43.039 1.00 0.03 H HETATM 2083 H16 PRO A 83 16.466 9.800 42.507 1.00 0.08 H HETATM 2084 H15 PRO A 83 16.719 12.054 44.321 1.00 0.19 H HETATM 2085 CB PRO A 83 19.191 13.893 43.495 1.00 -0.02 C HETATM 2086 H12 PRO A 83 18.183 14.291 43.682 1.00 0.03 H HETATM 2087 H13 PRO A 83 19.423 13.971 42.423 1.00 0.03 H HETATM 2088 H14 PRO A 83 19.927 14.472 44.072 1.00 0.03 H HETATM 2089 H11 PRO A 83 18.999 12.358 44.990 1.00 0.08 H HETATM 2090 H10 PRO A 83 21.171 12.345 43.004 1.00 0.19 H HETATM 2091 CB PRO A 83 22.520 8.849 44.089 1.00 0.01 C HETATM 2092 CG PRO A 83 22.931 8.682 45.555 1.00 -0.01 C HETATM 2093 CD PRO A 83 23.934 9.827 45.805 1.00 -0.03 C HETATM 2094 H8 PRO A 83 23.957 10.110 46.868 1.00 0.08 H HETATM 2095 H9 PRO A 83 24.946 9.547 45.478 1.00 0.08 H HETATM 2096 H6 PRO A 83 23.408 7.704 45.717 1.00 0.03 H HETATM 2097 H7 PRO A 83 22.058 8.778 46.217 1.00 0.03 H HETATM 2098 H4 PRO A 83 23.283 8.446 43.407 1.00 0.03 H HETATM 2099 H5 PRO A 83 21.552 8.368 43.883 1.00 0.03 H HETATM 2100 H3 PRO A 83 22.686 10.691 42.974 1.00 0.11 H HETATM 2101 H1 PRO A 83 22.915 11.582 45.566 1.00 0.20 H HETATM 2102 H2 PRO A 83 24.140 11.375 44.486 1.00 0.20 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 896 876 897 898 899 CONECT 897 896 CONECT 898 896 CONECT 899 896 CONECT 901 902 916 917 918 CONECT 916 901 CONECT 917 901 CONECT 918 901 CONECT 1902 1903 2093 2101 2102 CONECT 1903 1902 1904 2091 2100 CONECT 1904 1903 1905 1906 CONECT 1905 1904 CONECT 1906 1904 1907 2090 CONECT 1907 1906 1908 2085 2089 CONECT 1908 1907 1909 1910 CONECT 1909 1908 CONECT 1910 1908 1911 2084 CONECT 1911 1910 1912 2065 2083 CONECT 1912 1911 1913 1914 CONECT 1913 1912 CONECT 1914 1912 1915 2057 CONECT 1915 1914 1916 2055 2064 CONECT 1916 1915 1917 1918 CONECT 1917 1916 CONECT 1918 1916 1919 2047 CONECT 1919 1918 1920 2045 2054 CONECT 1920 1919 1921 1922 CONECT 1921 1920 CONECT 1922 1920 1923 2044 CONECT 1923 1922 1924 2027 2043 CONECT 1924 1923 1925 1926 CONECT 1925 1924 CONECT 1926 1924 1927 2019 CONECT 1927 1926 1928 2017 2026 CONECT 1928 1927 1929 1930 CONECT 1929 1928 CONECT 1930 1928 1931 2016 CONECT 1931 1930 1932 1997 2015 CONECT 1932 1931 1933 1934 CONECT 1933 1932 CONECT 1934 1932 1935 1989 CONECT 1935 1934 1936 1987 1996 CONECT 1936 1935 1937 1938 CONECT 1937 1936 CONECT 1938 1936 1939 1986 CONECT 1939 1938 1940 1967 1985 CONECT 1940 1939 1941 1942 CONECT 1941 1940 CONECT 1942 1940 1943 1966 CONECT 1943 1942 1944 1947 1965 CONECT 1944 1943 1945 1946 CONECT 1945 1944 CONECT 1946 1944 CONECT 1947 1943 1948 1963 1964 CONECT 1948 1947 1949 1961 1962 CONECT 1949 1948 1950 1959 1960 CONECT 1950 1949 1951 1958 CONECT 1951 1950 1952 1955 CONECT 1952 1951 1953 1954 CONECT 1953 1952 CONECT 1954 1952 CONECT 1955 1951 1956 1957 CONECT 1956 1955 CONECT 1957 1955 CONECT 1958 1950 CONECT 1959 1949 CONECT 1960 1949 CONECT 1961 1948 CONECT 1962 1948 CONECT 1963 1947 CONECT 1964 1947 CONECT 1965 1943 CONECT 1966 1942 CONECT 1967 1939 1968 1983 1984 CONECT 1968 1967 1969 1981 1982 CONECT 1969 1968 1970 1979 1980 CONECT 1970 1969 1971 1978 CONECT 1971 1970 1972 1975 CONECT 1972 1971 1973 1974 CONECT 1973 1972 CONECT 1974 1972 CONECT 1975 1971 1976 1977 CONECT 1976 1975 CONECT 1977 1975 CONECT 1978 1970 CONECT 1979 1969 CONECT 1980 1969 CONECT 1981 1968 CONECT 1982 1968 CONECT 1983 1967 CONECT 1984 1967 CONECT 1985 1939 CONECT 1986 1938 CONECT 1987 1935 1988 1994 1995 CONECT 1988 1987 1989 1992 1993 CONECT 1989 1934 1988 1990 1991 CONECT 1990 1989 CONECT 1991 1989 CONECT 1992 1988 CONECT 1993 1988 CONECT 1994 1987 CONECT 1995 1987 CONECT 1996 1935 CONECT 1997 1931 1998 2013 2014 CONECT 1998 1997 1999 2011 2012 CONECT 1999 1998 2000 2009 2010 CONECT 2000 1999 2001 2008 CONECT 2001 2000 2002 2005 CONECT 2002 2001 2003 2004 CONECT 2003 2002 CONECT 2004 2002 CONECT 2005 2001 2006 2007 CONECT 2006 2005 CONECT 2007 2005 CONECT 2008 2000 CONECT 2009 1999 CONECT 2010 1999 CONECT 2011 1998 CONECT 2012 1998 CONECT 2013 1997 CONECT 2014 1997 CONECT 2015 1931 CONECT 2016 1930 CONECT 2017 1927 2018 2024 2025 CONECT 2018 2017 2019 2022 2023 CONECT 2019 1926 2018 2020 2021 CONECT 2020 2019 CONECT 2021 2019 CONECT 2022 2018 CONECT 2023 2018 CONECT 2024 2017 CONECT 2025 2017 CONECT 2026 1927 CONECT 2027 1923 2028 2041 2042 CONECT 2028 2027 2029 2039 2040 CONECT 2029 2028 2030 2037 2038 CONECT 2030 2029 2031 2035 2036 CONECT 2031 2030 2032 2033 2034 CONECT 2032 2031 CONECT 2033 2031 CONECT 2034 2031 CONECT 2035 2030 CONECT 2036 2030 CONECT 2037 2029 CONECT 2038 2029 CONECT 2039 2028 CONECT 2040 2028 CONECT 2041 2027 CONECT 2042 2027 CONECT 2043 1923 CONECT 2044 1922 CONECT 2045 1919 2046 2052 2053 CONECT 2046 2045 2047 2050 2051 CONECT 2047 1918 2046 2048 2049 CONECT 2048 2047 CONECT 2049 2047 CONECT 2050 2046 CONECT 2051 2046 CONECT 2052 2045 CONECT 2053 2045 CONECT 2054 1919 CONECT 2055 1915 2056 2062 2063 CONECT 2056 2055 2057 2060 2061 CONECT 2057 1914 2056 2058 2059 CONECT 2058 2057 CONECT 2059 2057 CONECT 2060 2056 CONECT 2061 2056 CONECT 2062 2055 CONECT 2063 2055 CONECT 2064 1915 CONECT 2065 1911 2066 2081 2082 CONECT 2066 2065 2067 2079 2080 CONECT 2067 2066 2068 2077 2078 CONECT 2068 2067 2069 2076 CONECT 2069 2068 2070 2073 CONECT 2070 2069 2071 2072 CONECT 2071 2070 CONECT 2072 2070 CONECT 2073 2069 2074 2075 CONECT 2074 2073 CONECT 2075 2073 CONECT 2076 2068 CONECT 2077 2067 CONECT 2078 2067 CONECT 2079 2066 CONECT 2080 2066 CONECT 2081 2065 CONECT 2082 2065 CONECT 2083 1911 CONECT 2084 1910 CONECT 2085 1907 2086 2087 2088 CONECT 2086 2085 CONECT 2087 2085 CONECT 2088 2085 CONECT 2089 1907 CONECT 2090 1906 CONECT 2091 1903 2092 2098 2099 CONECT 2092 2091 2093 2096 2097 CONECT 2093 1902 2092 2094 2095 CONECT 2094 2093 CONECT 2095 2093 CONECT 2096 2092 CONECT 2097 2092 CONECT 2098 2091 CONECT 2099 2091 CONECT 2100 1903 CONECT 2101 1902 CONECT 2102 1902 MASTER 0 0 0 0 0 0 0 0 2100 2 213 10 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: 2bz8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
2bz8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SH3-domain of CIN85
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=2.5uM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
(2005) Nat.Struct.Mol.Biol. Vol. 12: pp. 972
Ligand Properties
Formula
C
5
8
H
1
0
8
N
2
4
O
1
2
Molecular Weight
1333.630
Exact Mass
1332.860
No. of atoms
202
No. of bonds
206
Polar Surface Area
601.43
LOGP Value
0.59 (
Computed with XLOGP3
)
-7.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 46
No. of Nitrogen and Oxygen Atoms: 36
No. of Rings: 5
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C58H102N24O12/c1-33(73-45(84)34-14-4-24-68-34)44(83)75-37(16-6-26-70-56(62)63)52(91)82-32-12-22-43(82)53(92)81-31-11-21-42(81)49(88)76-36(13-2-3-23-59)50(89)80-30-10-20-41(80)48(87)77-38(17-7-27-71-57(64)65)51(90)79-29-9-19-40(79)47(86)74-35(15-5-25-69-55(60)61)46(85)78-39(54(93)94)18-8-28-72-58(66)67/h33-43,68H,2-32,59H2,1H3,(H,73,84)(H,74,86)(H,75,83)(H,76,88)(H,77,87)(H,78,85)(H,93,94)(H4,60,61,69)(H4,62,63,70)(H4,64,65,71)(H4,66,67,72)/p+6/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-/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):
Q13191
Q96B97
Entrez Gene ID
NCBI Entrez Gene ID:
868
30011
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