Browse entries in the PDBbind-CN Database
HEADER 4UDA_COMPLEX COMPND 4UDA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 172 PRO VAL MET VAL LEU GLU ASN ILE GLU PRO GLU ILE VAL SEQRES 2 A 172 TYR ALA GLY TYR ASP SER SER LYS PRO ASP THR ALA GLU SEQRES 3 A 172 ASN LEU LEU SER THR LEU ASN ARG LEU ALA GLY LYS GLN SEQRES 4 A 172 MET ILE GLN VAL VAL LYS TRP ALA LYS VAL LEU PRO GLY SEQRES 5 A 172 PHE LYS ASN LEU PRO LEU GLU ASP GLN ILE THR LEU ILE SEQRES 6 A 172 GLN TYR SER TRP MET SER LEU SER SER PHE ALA LEU SER SEQRES 7 A 172 TRP ARG SER TYR LYS HIS THR ASN SER GLN PHE LEU TYR SEQRES 8 A 172 PHE ALA PRO ASP LEU VAL PHE ASN GLU GLU LYS MET HIS SEQRES 9 A 172 GLN SER ALA MET TYR GLU LEU CYS GLN GLY MET HIS GLN SEQRES 10 A 172 ILE SER LEU GLN PHE VAL ARG LEU GLN LEU THR PHE GLU SEQRES 11 A 172 GLU TYR THR ILE MET LYS VAL LEU LEU LEU LEU SER THR SEQRES 12 A 172 ILE PRO LYS ASP GLY LEU LYS SER GLN ALA ALA PHE GLU SEQRES 13 A 172 GLU MET ARG THR ASN TYR ILE LYS GLU LEU ARG LYS MET SEQRES 14 A 172 VAL THR LYS SEQRES 1 A 33 SER GLY GLN SER TRP GLN ARG PHE TYR GLN LEU THR LYS SEQRES 2 A 33 LEU LEU ASP SER MET HIS ASP LEU VAL SER ASP LEU LEU SEQRES 3 A 33 GLU PHE CYS PHE TYR THR PHE SEQRES 1 A 36 GLU SER HIS ALA LEU LYS VAL GLU PHE PRO ALA MET LEU SEQRES 2 A 36 VAL GLU ILE ILE SER ASP GLN LEU PRO LYS VAL GLU SER SEQRES 3 A 36 GLY ASN ALA LYS PRO LEU TYR PHE HIS ARG HET DEX A 343 57 ATOM 1 N PRO A 738 12.369 10.401 3.141 1.00 54.92 N ATOM 2 CA PRO A 738 11.512 9.243 3.448 1.00 54.56 C ATOM 3 C PRO A 738 12.086 7.904 2.980 1.00 57.04 C ATOM 4 O PRO A 738 11.775 6.874 3.575 1.00 56.08 O ATOM 5 CB PRO A 738 10.194 9.580 2.742 1.00 56.37 C ATOM 6 CG PRO A 738 10.151 11.072 2.734 1.00 61.00 C ATOM 7 CD PRO A 738 11.588 11.535 2.607 1.00 56.61 C ATOM 8 HN2 PRO A 738 13.078 10.118 2.435 1.00 0.00 H ATOM 9 HN1 PRO A 738 12.851 10.704 4.012 1.00 0.00 H ATOM 10 N VAL A 739 12.916 7.924 1.922 1.00 53.21 N ATOM 11 CA VAL A 739 13.568 6.754 1.307 1.00 53.11 C ATOM 12 C VAL A 739 14.481 6.015 2.319 1.00 56.93 C ATOM 13 O VAL A 739 14.450 4.779 2.386 1.00 55.48 O ATOM 14 CB VAL A 739 14.300 7.158 -0.009 1.00 56.86 C ATOM 15 CG1 VAL A 739 15.092 5.999 -0.618 1.00 56.42 C ATOM 16 CG2 VAL A 739 13.315 7.732 -1.024 1.00 56.71 C ATOM 17 H VAL A 739 13.117 8.852 1.498 1.00 0.00 H ATOM 18 N MET A 740 15.255 6.777 3.121 1.00 53.99 N ATOM 19 CA MET A 740 16.138 6.207 4.142 1.00 54.39 C ATOM 20 C MET A 740 15.330 5.516 5.266 1.00 55.91 C ATOM 21 O MET A 740 15.722 4.436 5.719 1.00 55.56 O ATOM 22 CB MET A 740 17.149 7.246 4.679 1.00 57.33 C ATOM 23 CG MET A 740 18.062 7.821 3.589 1.00 61.99 C ATOM 24 SD MET A 740 19.825 7.974 4.023 1.00 67.26 S ATOM 25 CE MET A 740 20.424 6.330 3.561 1.00 64.16 C ATOM 26 H MET A 740 15.223 7.811 3.010 1.00 0.00 H ATOM 27 N VAL A 741 14.166 6.102 5.640 1.00 50.18 N ATOM 28 CA VAL A 741 13.224 5.593 6.651 1.00 49.31 C ATOM 29 C VAL A 741 12.648 4.226 6.210 1.00 51.49 C ATOM 30 O VAL A 741 12.662 3.274 7.000 1.00 51.49 O ATOM 31 CB VAL A 741 12.099 6.625 6.962 1.00 53.34 C ATOM 32 CG1 VAL A 741 11.168 6.127 8.065 1.00 53.20 C ATOM 33 CG2 VAL A 741 12.678 7.990 7.330 1.00 53.23 C ATOM 34 H VAL A 741 13.915 6.994 5.169 1.00 0.00 H ATOM 35 N LEU A 742 12.175 4.140 4.941 1.00 45.83 N ATOM 36 CA LEU A 742 11.595 2.940 4.314 1.00 44.81 C ATOM 37 C LEU A 742 12.579 1.768 4.274 1.00 47.48 C ATOM 38 O LEU A 742 12.173 0.624 4.467 1.00 46.72 O ATOM 39 CB LEU A 742 11.096 3.246 2.885 1.00 44.47 C ATOM 40 CG LEU A 742 10.017 4.329 2.717 1.00 48.35 C ATOM 41 CD1 LEU A 742 9.902 4.767 1.265 1.00 48.53 C ATOM 42 CD2 LEU A 742 8.693 3.880 3.244 1.00 48.66 C ATOM 43 H LEU A 742 12.227 5.000 4.358 1.00 0.00 H ATOM 44 N GLU A 743 13.865 2.054 4.011 1.00 43.07 N ATOM 45 CA GLU A 743 14.932 1.057 3.981 1.00 43.04 C ATOM 46 C GLU A 743 15.083 0.413 5.380 1.00 47.67 C ATOM 47 O GLU A 743 15.165 -0.817 5.485 1.00 48.12 O ATOM 48 CB GLU A 743 16.251 1.710 3.510 1.00 44.33 C ATOM 49 CG GLU A 743 17.487 0.819 3.569 1.00 55.88 C ATOM 50 CD GLU A 743 18.780 1.517 3.962 1.00 82.87 C ATOM 51 OE1 GLU A 743 18.874 2.757 3.800 1.00 80.30 O ATOM 52 OE2 GLU A 743 19.710 0.816 4.425 1.00 76.87 O ATOM 53 H GLU A 743 14.116 3.045 3.817 1.00 0.00 H ATOM 54 N ASN A 744 15.067 1.245 6.445 1.00 43.15 N ATOM 55 CA ASN A 744 15.217 0.788 7.827 1.00 42.57 C ATOM 56 C ASN A 744 14.023 0.019 8.355 1.00 44.70 C ATOM 57 O ASN A 744 14.225 -0.943 9.098 1.00 45.10 O ATOM 58 CB ASN A 744 15.515 1.955 8.777 1.00 44.35 C ATOM 59 CG ASN A 744 16.618 2.887 8.352 1.00 57.93 C ATOM 60 OD1 ASN A 744 17.545 2.531 7.604 1.00 58.47 O ATOM 61 ND2 ASN A 744 16.515 4.117 8.810 1.00 37.85 N ATOM 62 HD22 ASN A 744 15.724 4.375 9.434 1.00 0.00 H ATOM 63 HD21 ASN A 744 17.225 4.831 8.548 1.00 0.00 H ATOM 64 H ASN A 744 14.942 2.263 6.273 1.00 0.00 H ATOM 65 N ILE A 745 12.789 0.456 8.028 1.00 39.51 N ATOM 66 CA ILE A 745 11.565 -0.177 8.551 1.00 38.51 C ATOM 67 C ILE A 745 11.066 -1.357 7.694 1.00 42.25 C ATOM 68 O ILE A 745 10.036 -1.944 8.027 1.00 41.57 O ATOM 69 CB ILE A 745 10.434 0.856 8.830 1.00 40.62 C ATOM 70 CG1 ILE A 745 9.853 1.452 7.527 1.00 39.67 C ATOM 71 CG2 ILE A 745 10.913 1.947 9.823 1.00 41.50 C ATOM 72 CD1 ILE A 745 8.497 2.145 7.691 1.00 39.93 C ATOM 73 H ILE A 745 12.698 1.268 7.384 1.00 0.00 H ATOM 74 N GLU A 746 11.787 -1.710 6.620 1.00 40.23 N ATOM 75 CA GLU A 746 11.414 -2.820 5.738 1.00 41.13 C ATOM 76 C GLU A 746 11.377 -4.162 6.507 1.00 46.73 C ATOM 77 O GLU A 746 12.394 -4.552 7.097 1.00 47.47 O ATOM 78 CB GLU A 746 12.327 -2.879 4.497 1.00 42.59 C ATOM 79 CG GLU A 746 12.037 -4.031 3.539 1.00 52.09 C ATOM 80 CD GLU A 746 10.725 -4.040 2.769 1.00 62.07 C ATOM 81 OE1 GLU A 746 10.012 -3.010 2.750 1.00 41.76 O ATOM 82 OE2 GLU A 746 10.423 -5.095 2.165 1.00 65.24 O ATOM 83 H GLU A 746 12.650 -1.172 6.403 1.00 0.00 H ATOM 84 N PRO A 747 10.194 -4.835 6.554 1.00 43.07 N ATOM 85 CA PRO A 747 10.081 -6.095 7.320 1.00 42.79 C ATOM 86 C PRO A 747 10.961 -7.254 6.826 1.00 46.89 C ATOM 87 O PRO A 747 11.098 -7.463 5.612 1.00 46.80 O ATOM 88 CB PRO A 747 8.590 -6.446 7.209 1.00 44.21 C ATOM 89 CG PRO A 747 7.905 -5.197 6.753 1.00 48.25 C ATOM 90 CD PRO A 747 8.906 -4.472 5.926 1.00 44.12 C ATOM 91 N GLU A 748 11.550 -8.009 7.778 1.00 42.60 N ATOM 92 CA GLU A 748 12.410 -9.172 7.502 1.00 41.88 C ATOM 93 C GLU A 748 11.594 -10.345 6.925 1.00 43.34 C ATOM 94 O GLU A 748 10.386 -10.395 7.120 1.00 41.53 O ATOM 95 CB GLU A 748 13.197 -9.602 8.761 1.00 43.27 C ATOM 96 CG GLU A 748 12.357 -10.234 9.863 1.00 56.57 C ATOM 97 CD GLU A 748 13.091 -10.514 11.162 1.00 82.89 C ATOM 98 OE1 GLU A 748 13.431 -9.541 11.876 1.00 79.31 O ATOM 99 OE2 GLU A 748 13.323 -11.706 11.470 1.00 68.94 O ATOM 100 H GLU A 748 11.385 -7.752 8.772 1.00 0.00 H ATOM 101 N ILE A 749 12.260 -11.285 6.227 1.00 39.52 N ATOM 102 CA ILE A 749 11.616 -12.446 5.618 1.00 38.66 C ATOM 103 C ILE A 749 10.938 -13.359 6.676 1.00 37.95 C ATOM 104 O ILE A 749 11.464 -13.537 7.785 1.00 38.19 O ATOM 105 CB ILE A 749 12.610 -13.189 4.692 1.00 42.79 C ATOM 106 CG1 ILE A 749 11.881 -13.852 3.514 1.00 43.29 C ATOM 107 CG2 ILE A 749 13.536 -14.167 5.446 1.00 45.28 C ATOM 108 CD1 ILE A 749 12.624 -13.693 2.220 1.00 51.95 C ATOM 109 H ILE A 749 13.289 -11.178 6.116 1.00 0.00 H ATOM 110 N VAL A 750 9.734 -13.860 6.342 1.00 28.98 N ATOM 111 CA VAL A 750 8.935 -14.733 7.202 1.00 26.72 C ATOM 112 C VAL A 750 8.937 -16.142 6.603 1.00 28.11 C ATOM 113 O VAL A 750 8.713 -16.300 5.405 1.00 26.13 O ATOM 114 CB VAL A 750 7.486 -14.189 7.421 1.00 29.95 C ATOM 115 CG1 VAL A 750 6.677 -15.096 8.344 1.00 29.41 C ATOM 116 CG2 VAL A 750 7.510 -12.781 7.987 1.00 29.62 C ATOM 117 H VAL A 750 9.346 -13.610 5.410 1.00 0.00 H ATOM 118 N TYR A 751 9.183 -17.152 7.445 1.00 24.98 N ATOM 119 CA TYR A 751 9.170 -18.548 7.046 1.00 25.39 C ATOM 120 C TYR A 751 7.750 -19.095 7.186 1.00 27.45 C ATOM 121 O TYR A 751 7.042 -18.773 8.141 1.00 26.82 O ATOM 122 CB TYR A 751 10.170 -19.375 7.879 1.00 27.87 C ATOM 123 CG TYR A 751 11.606 -19.277 7.397 1.00 31.64 C ATOM 124 CD1 TYR A 751 12.369 -18.136 7.636 1.00 34.62 C ATOM 125 CD2 TYR A 751 12.209 -20.333 6.720 1.00 32.78 C ATOM 126 CE1 TYR A 751 13.686 -18.035 7.179 1.00 36.58 C ATOM 127 CE2 TYR A 751 13.530 -20.254 6.279 1.00 34.10 C ATOM 128 CZ TYR A 751 14.266 -19.102 6.509 1.00 45.20 C ATOM 129 OH TYR A 751 15.571 -19.028 6.072 1.00 47.59 O ATOM 130 HH TYR A 751 15.950 -18.146 6.315 1.00 0.00 H ATOM 131 H TYR A 751 9.395 -16.925 8.438 1.00 0.00 H ATOM 132 N ALA A 752 7.344 -19.910 6.220 1.00 21.98 N ATOM 133 CA ALA A 752 6.055 -20.569 6.182 1.00 22.58 C ATOM 134 C ALA A 752 5.954 -21.735 7.179 1.00 28.74 C ATOM 135 O ALA A 752 4.841 -22.152 7.485 1.00 29.19 O ATOM 136 CB ALA A 752 5.796 -21.091 4.773 1.00 23.28 C ATOM 137 H ALA A 752 8.000 -20.088 5.433 1.00 0.00 H ATOM 138 N GLY A 753 7.090 -22.318 7.589 1.00 25.29 N ATOM 139 CA GLY A 753 7.113 -23.507 8.446 1.00 25.13 C ATOM 140 C GLY A 753 6.599 -24.714 7.680 1.00 31.15 C ATOM 141 O GLY A 753 5.997 -25.629 8.257 1.00 31.00 O ATOM 142 H GLY A 753 7.996 -21.908 7.285 1.00 0.00 H ATOM 143 N TYR A 754 6.779 -24.675 6.344 1.00 27.52 N ATOM 144 CA TYR A 754 6.316 -25.695 5.418 1.00 27.46 C ATOM 145 C TYR A 754 7.262 -26.875 5.372 1.00 29.93 C ATOM 146 O TYR A 754 8.478 -26.705 5.280 1.00 29.51 O ATOM 147 CB TYR A 754 6.156 -25.113 4.001 1.00 29.02 C ATOM 148 CG TYR A 754 5.428 -26.049 3.064 1.00 30.95 C ATOM 149 CD1 TYR A 754 4.048 -26.218 3.152 1.00 33.95 C ATOM 150 CD2 TYR A 754 6.116 -26.769 2.093 1.00 30.84 C ATOM 151 CE1 TYR A 754 3.374 -27.099 2.318 1.00 35.04 C ATOM 152 CE2 TYR A 754 5.449 -27.657 1.250 1.00 32.05 C ATOM 153 CZ TYR A 754 4.076 -27.813 1.366 1.00 43.00 C ATOM 154 OH TYR A 754 3.375 -28.662 0.554 1.00 48.37 O ATOM 155 HH TYR A 754 3.489 -28.384 -0.389 1.00 0.00 H ATOM 156 H TYR A 754 7.285 -23.857 5.948 1.00 0.00 H ATOM 157 N ASP A 755 6.689 -28.068 5.391 1.00 26.36 N ATOM 158 CA ASP A 755 7.436 -29.308 5.297 1.00 26.73 C ATOM 159 C ASP A 755 7.197 -29.870 3.890 1.00 32.20 C ATOM 160 O ASP A 755 6.082 -30.259 3.560 1.00 32.70 O ATOM 161 CB ASP A 755 7.006 -30.282 6.415 1.00 27.67 C ATOM 162 CG ASP A 755 7.479 -31.722 6.263 1.00 31.02 C ATOM 163 OD1 ASP A 755 8.474 -31.952 5.546 1.00 30.44 O ATOM 164 OD2 ASP A 755 6.877 -32.608 6.889 1.00 32.45 O ATOM 165 H ASP A 755 5.654 -28.119 5.477 1.00 0.00 H ATOM 166 N SER A 756 8.251 -29.907 3.084 1.00 30.36 N ATOM 167 CA SER A 756 8.239 -30.356 1.691 1.00 31.81 C ATOM 168 C SER A 756 7.999 -31.854 1.505 1.00 37.55 C ATOM 169 O SER A 756 7.760 -32.297 0.374 1.00 38.89 O ATOM 170 CB SER A 756 9.539 -29.955 0.998 1.00 37.13 C ATOM 171 OG SER A 756 10.671 -30.519 1.642 1.00 50.87 O ATOM 172 HG SER A 756 11.493 -30.239 1.167 1.00 0.00 H ATOM 173 H SER A 756 9.161 -29.591 3.475 1.00 0.00 H ATOM 174 N SER A 757 8.091 -32.636 2.589 1.00 33.45 N ATOM 175 CA SER A 757 7.894 -34.078 2.537 1.00 33.45 C ATOM 176 C SER A 757 6.425 -34.443 2.786 1.00 37.92 C ATOM 177 O SER A 757 6.058 -35.617 2.778 1.00 39.27 O ATOM 178 CB SER A 757 8.842 -34.781 3.505 1.00 36.31 C ATOM 179 OG SER A 757 8.474 -34.543 4.852 1.00 44.31 O ATOM 180 HG SER A 757 8.503 -33.570 5.034 1.00 0.00 H ATOM 181 H SER A 757 8.312 -32.195 3.505 1.00 0.00 H ATOM 182 N LYS A 758 5.585 -33.424 2.964 1.00 33.33 N ATOM 183 CA LYS A 758 4.158 -33.574 3.203 1.00 33.14 C ATOM 184 C LYS A 758 3.359 -33.496 1.904 1.00 36.20 C ATOM 185 O LYS A 758 3.824 -32.867 0.948 1.00 36.17 O ATOM 186 CB LYS A 758 3.672 -32.508 4.195 1.00 35.74 C ATOM 187 CG LYS A 758 3.854 -32.934 5.644 1.00 46.18 C ATOM 188 CD LYS A 758 3.610 -31.769 6.567 1.00 52.58 C ATOM 189 CE LYS A 758 2.357 -31.952 7.358 1.00 56.87 C ATOM 190 NZ LYS A 758 2.606 -32.759 8.578 1.00 61.42 N ATOM 191 HZ1 LYS A 758 2.967 -33.696 8.305 1.00 0.00 H ATOM 192 HZ2 LYS A 758 3.308 -32.276 9.174 1.00 0.00 H ATOM 193 HZ3 LYS A 758 1.717 -32.869 9.107 1.00 0.00 H ATOM 194 H LYS A 758 5.974 -32.460 2.930 1.00 0.00 H ATOM 195 N PRO A 759 2.151 -34.116 1.855 1.00 30.95 N ATOM 196 CA PRO A 759 1.336 -34.054 0.625 1.00 29.78 C ATOM 197 C PRO A 759 0.917 -32.637 0.229 1.00 30.38 C ATOM 198 O PRO A 759 0.476 -31.846 1.080 1.00 28.68 O ATOM 199 CB PRO A 759 0.106 -34.899 0.976 1.00 31.90 C ATOM 200 CG PRO A 759 0.538 -35.759 2.142 1.00 36.81 C ATOM 201 CD PRO A 759 1.478 -34.907 2.908 1.00 32.44 C ATOM 202 N ASP A 760 1.034 -32.340 -1.084 1.00 25.07 N ATOM 203 CA ASP A 760 0.696 -31.062 -1.709 1.00 23.44 C ATOM 204 C ASP A 760 -0.788 -30.959 -2.049 1.00 27.25 C ATOM 205 O ASP A 760 -1.135 -30.790 -3.220 1.00 27.68 O ATOM 206 CB ASP A 760 1.523 -30.873 -2.990 1.00 25.21 C ATOM 207 CG ASP A 760 2.913 -30.326 -2.779 1.00 33.97 C ATOM 208 OD1 ASP A 760 3.154 -29.725 -1.728 1.00 34.51 O ATOM 209 OD2 ASP A 760 3.738 -30.437 -3.702 1.00 39.10 O ATOM 210 H ASP A 760 1.398 -33.089 -1.707 1.00 0.00 H ATOM 211 N THR A 761 -1.669 -31.062 -1.042 1.00 21.97 N ATOM 212 CA THR A 761 -3.112 -30.917 -1.272 1.00 21.53 C ATOM 213 C THR A 761 -3.414 -29.409 -1.299 1.00 24.62 C ATOM 214 O THR A 761 -2.624 -28.619 -0.767 1.00 24.19 O ATOM 215 CB THR A 761 -3.922 -31.611 -0.158 1.00 25.71 C ATOM 216 OG1 THR A 761 -3.655 -30.948 1.074 1.00 22.45 O ATOM 217 CG2 THR A 761 -3.631 -33.122 -0.039 1.00 21.86 C ATOM 218 HG1 THR A 761 -4.169 -31.383 1.800 1.00 0.00 H ATOM 219 H THR A 761 -1.323 -31.248 -0.079 1.00 0.00 H ATOM 220 N ALA A 762 -4.542 -29.009 -1.909 1.00 20.71 N ATOM 221 CA ALA A 762 -4.947 -27.602 -1.965 1.00 20.22 C ATOM 222 C ALA A 762 -5.239 -27.106 -0.549 1.00 22.55 C ATOM 223 O ALA A 762 -4.756 -26.042 -0.178 1.00 20.93 O ATOM 224 CB ALA A 762 -6.170 -27.445 -2.842 1.00 21.17 C ATOM 225 H ALA A 762 -5.150 -29.724 -2.358 1.00 0.00 H ATOM 226 N GLU A 763 -5.921 -27.917 0.273 1.00 19.47 N ATOM 227 CA GLU A 763 -6.215 -27.537 1.650 1.00 20.57 C ATOM 228 C GLU A 763 -4.943 -27.248 2.421 1.00 24.01 C ATOM 229 O GLU A 763 -4.871 -26.183 3.003 1.00 24.07 O ATOM 230 CB GLU A 763 -7.156 -28.524 2.382 1.00 22.45 C ATOM 231 CG GLU A 763 -6.605 -29.914 2.629 1.00 37.21 C ATOM 232 CD GLU A 763 -7.650 -30.928 3.051 1.00 70.80 C ATOM 233 OE1 GLU A 763 -8.338 -31.471 2.156 1.00 69.94 O ATOM 234 OE2 GLU A 763 -7.789 -31.174 4.272 1.00 65.81 O ATOM 235 H GLU A 763 -6.248 -28.839 -0.080 1.00 0.00 H ATOM 236 N ASN A 764 -3.922 -28.133 2.370 1.00 21.68 N ATOM 237 CA ASN A 764 -2.641 -27.934 3.065 1.00 21.43 C ATOM 238 C ASN A 764 -1.898 -26.692 2.527 1.00 23.15 C ATOM 239 O ASN A 764 -1.487 -25.841 3.323 1.00 22.45 O ATOM 240 CB ASN A 764 -1.733 -29.176 2.961 1.00 24.48 C ATOM 241 CG ASN A 764 -2.147 -30.404 3.774 1.00 57.79 C ATOM 242 OD1 ASN A 764 -3.001 -30.361 4.679 1.00 49.35 O ATOM 243 ND2 ASN A 764 -1.527 -31.547 3.460 1.00 48.92 N ATOM 244 HD22 ASN A 764 -0.817 -31.562 2.701 1.00 0.00 H ATOM 245 HD21 ASN A 764 -1.755 -32.421 3.975 1.00 0.00 H ATOM 246 H ASN A 764 -4.049 -29.000 1.810 1.00 0.00 H ATOM 247 N LEU A 765 -1.737 -26.589 1.190 1.00 18.31 N ATOM 248 CA LEU A 765 -1.061 -25.450 0.560 1.00 18.86 C ATOM 249 C LEU A 765 -1.724 -24.098 0.927 1.00 23.07 C ATOM 250 O LEU A 765 -1.056 -23.220 1.480 1.00 21.43 O ATOM 251 CB LEU A 765 -0.938 -25.620 -0.982 1.00 18.86 C ATOM 252 CG LEU A 765 0.121 -26.629 -1.475 1.00 22.86 C ATOM 253 CD1 LEU A 765 -0.109 -27.019 -2.896 1.00 22.78 C ATOM 254 CD2 LEU A 765 1.530 -26.098 -1.300 1.00 23.19 C ATOM 255 H LEU A 765 -2.107 -27.348 0.583 1.00 0.00 H ATOM 256 N LEU A 766 -3.047 -23.972 0.678 1.00 18.92 N ATOM 257 CA LEU A 766 -3.816 -22.749 0.954 1.00 18.27 C ATOM 258 C LEU A 766 -3.848 -22.364 2.429 1.00 19.86 C ATOM 259 O LEU A 766 -3.771 -21.172 2.735 1.00 19.76 O ATOM 260 CB LEU A 766 -5.243 -22.832 0.368 1.00 18.23 C ATOM 261 CG LEU A 766 -5.339 -22.986 -1.174 1.00 21.90 C ATOM 262 CD1 LEU A 766 -6.771 -22.851 -1.626 1.00 21.42 C ATOM 263 CD2 LEU A 766 -4.425 -21.975 -1.915 1.00 19.88 C ATOM 264 H LEU A 766 -3.549 -24.785 0.268 1.00 0.00 H ATOM 265 N SER A 767 -3.963 -23.360 3.334 1.00 14.31 N ATOM 266 CA SER A 767 -3.932 -23.153 4.790 1.00 14.34 C ATOM 267 C SER A 767 -2.548 -22.648 5.202 1.00 19.05 C ATOM 268 O SER A 767 -2.457 -21.712 6.003 1.00 20.24 O ATOM 269 CB SER A 767 -4.254 -24.453 5.543 1.00 16.88 C ATOM 270 OG SER A 767 -5.623 -24.813 5.416 1.00 21.77 O ATOM 271 HG SER A 767 -5.841 -24.946 4.459 1.00 0.00 H ATOM 272 H SER A 767 -4.080 -24.331 2.980 1.00 0.00 H ATOM 273 N THR A 768 -1.465 -23.251 4.653 1.00 16.92 N ATOM 274 CA THR A 768 -0.082 -22.803 4.971 1.00 16.63 C ATOM 275 C THR A 768 0.129 -21.347 4.550 1.00 22.42 C ATOM 276 O THR A 768 0.633 -20.550 5.359 1.00 23.94 O ATOM 277 CB THR A 768 0.986 -23.749 4.431 1.00 23.23 C ATOM 278 OG1 THR A 768 0.726 -25.059 4.934 1.00 22.81 O ATOM 279 CG2 THR A 768 2.419 -23.326 4.829 1.00 20.32 C ATOM 280 HG1 THR A 768 -0.170 -25.354 4.635 1.00 0.00 H ATOM 281 H THR A 768 -1.604 -24.044 3.995 1.00 0.00 H ATOM 282 N LEU A 769 -0.301 -20.996 3.321 1.00 16.76 N ATOM 283 CA LEU A 769 -0.197 -19.636 2.801 1.00 16.50 C ATOM 284 C LEU A 769 -0.976 -18.625 3.627 1.00 20.90 C ATOM 285 O LEU A 769 -0.464 -17.535 3.854 1.00 21.19 O ATOM 286 CB LEU A 769 -0.571 -19.567 1.316 1.00 16.14 C ATOM 287 CG LEU A 769 0.301 -20.380 0.337 1.00 19.85 C ATOM 288 CD1 LEU A 769 -0.225 -20.262 -1.081 1.00 19.70 C ATOM 289 CD2 LEU A 769 1.776 -19.962 0.391 1.00 20.16 C ATOM 290 H LEU A 769 -0.726 -21.728 2.716 1.00 0.00 H ATOM 291 N ASN A 770 -2.181 -18.992 4.126 1.00 18.45 N ATOM 292 CA ASN A 770 -2.979 -18.110 4.974 1.00 19.01 C ATOM 293 C ASN A 770 -2.331 -17.890 6.342 1.00 24.30 C ATOM 294 O ASN A 770 -2.316 -16.760 6.813 1.00 24.46 O ATOM 295 CB ASN A 770 -4.431 -18.580 5.117 1.00 16.86 C ATOM 296 CG ASN A 770 -5.267 -18.412 3.880 1.00 32.31 C ATOM 297 OD1 ASN A 770 -5.081 -17.486 3.082 1.00 22.33 O ATOM 298 ND2 ASN A 770 -6.262 -19.275 3.728 1.00 27.35 N ATOM 299 HD22 ASN A 770 -6.393 -20.044 4.416 1.00 0.00 H ATOM 300 HD21 ASN A 770 -6.911 -19.183 2.921 1.00 0.00 H ATOM 301 H ASN A 770 -2.551 -19.936 3.897 1.00 0.00 H ATOM 302 N ARG A 771 -1.748 -18.935 6.947 1.00 22.59 N ATOM 303 CA ARG A 771 -1.026 -18.819 8.233 1.00 22.61 C ATOM 304 C ARG A 771 0.202 -17.909 8.043 1.00 25.75 C ATOM 305 O ARG A 771 0.556 -17.141 8.943 1.00 25.30 O ATOM 306 CB ARG A 771 -0.555 -20.195 8.701 1.00 22.57 C ATOM 307 CG ARG A 771 -0.985 -20.546 10.110 1.00 40.22 C ATOM 308 CD ARG A 771 -0.529 -21.943 10.531 1.00 49.87 C ATOM 309 NE ARG A 771 -1.256 -23.011 9.835 1.00 55.60 N ATOM 310 CZ ARG A 771 -0.726 -23.804 8.904 1.00 65.75 C ATOM 311 NH1 ARG A 771 0.546 -23.666 8.547 1.00 57.25 N ATOM 312 NH2 ARG A 771 -1.463 -24.742 8.327 1.00 42.02 N ATOM 313 HE ARG A 771 -2.254 -23.159 10.086 1.00 0.00 H ATOM 314 HH12 ARG A 771 0.952 -24.289 7.820 1.00 0.00 H ATOM 315 HH11 ARG A 771 1.135 -22.935 8.995 1.00 0.00 H ATOM 316 HH22 ARG A 771 -1.045 -25.358 7.601 1.00 0.00 H ATOM 317 HH21 ARG A 771 -2.459 -24.862 8.600 1.00 0.00 H ATOM 318 H ARG A 771 -1.806 -19.868 6.492 1.00 0.00 H ATOM 319 N LEU A 772 0.828 -17.996 6.852 1.00 21.70 N ATOM 320 CA LEU A 772 1.998 -17.207 6.459 1.00 20.72 C ATOM 321 C LEU A 772 1.577 -15.745 6.311 1.00 24.52 C ATOM 322 O LEU A 772 2.262 -14.866 6.829 1.00 25.59 O ATOM 323 CB LEU A 772 2.593 -17.754 5.142 1.00 20.18 C ATOM 324 CG LEU A 772 3.779 -16.972 4.540 1.00 23.33 C ATOM 325 CD1 LEU A 772 4.977 -16.965 5.483 1.00 22.14 C ATOM 326 CD2 LEU A 772 4.147 -17.512 3.167 1.00 21.43 C ATOM 327 H LEU A 772 0.452 -18.675 6.160 1.00 0.00 H ATOM 328 N ALA A 773 0.418 -15.506 5.656 1.00 20.70 N ATOM 329 CA ALA A 773 -0.193 -14.190 5.461 1.00 20.50 C ATOM 330 C ALA A 773 -0.445 -13.514 6.810 1.00 24.59 C ATOM 331 O ALA A 773 -0.125 -12.339 6.949 1.00 25.06 O ATOM 332 CB ALA A 773 -1.484 -14.323 4.689 1.00 20.94 C ATOM 333 H ALA A 773 -0.081 -16.326 5.257 1.00 0.00 H ATOM 334 N GLY A 774 -0.938 -14.267 7.799 1.00 20.57 N ATOM 335 CA GLY A 774 -1.153 -13.773 9.159 1.00 20.83 C ATOM 336 C GLY A 774 0.120 -13.251 9.819 1.00 25.66 C ATOM 337 O GLY A 774 0.135 -12.137 10.341 1.00 26.01 O ATOM 338 H GLY A 774 -1.181 -15.256 7.590 1.00 0.00 H ATOM 339 N LYS A 775 1.217 -14.025 9.751 1.00 23.12 N ATOM 340 CA LYS A 775 2.529 -13.640 10.299 1.00 22.69 C ATOM 341 C LYS A 775 3.125 -12.441 9.554 1.00 25.57 C ATOM 342 O LYS A 775 3.625 -11.514 10.192 1.00 24.36 O ATOM 343 CB LYS A 775 3.486 -14.839 10.309 1.00 25.80 C ATOM 344 CG LYS A 775 3.192 -15.802 11.448 1.00 38.45 C ATOM 345 CD LYS A 775 3.720 -17.214 11.205 1.00 48.26 C ATOM 346 CE LYS A 775 3.321 -18.127 12.349 1.00 52.15 C ATOM 347 NZ LYS A 775 3.212 -19.551 11.929 1.00 63.60 N ATOM 348 HZ1 LYS A 775 2.492 -19.637 11.183 1.00 0.00 H ATOM 349 HZ2 LYS A 775 4.131 -19.875 11.565 1.00 0.00 H ATOM 350 HZ3 LYS A 775 2.937 -20.132 12.746 1.00 0.00 H ATOM 351 H LYS A 775 1.135 -14.950 9.284 1.00 0.00 H ATOM 352 N GLN A 776 3.018 -12.438 8.203 1.00 21.52 N ATOM 353 CA GLN A 776 3.487 -11.355 7.328 1.00 20.62 C ATOM 354 C GLN A 776 2.759 -10.058 7.615 1.00 23.88 C ATOM 355 O GLN A 776 3.387 -9.009 7.577 1.00 23.79 O ATOM 356 CB GLN A 776 3.266 -11.703 5.847 1.00 21.15 C ATOM 357 CG GLN A 776 4.265 -12.675 5.249 1.00 23.25 C ATOM 358 CD GLN A 776 3.904 -13.052 3.819 1.00 31.99 C ATOM 359 OE1 GLN A 776 2.850 -12.690 3.281 1.00 25.02 O ATOM 360 NE2 GLN A 776 4.767 -13.806 3.172 1.00 21.50 N ATOM 361 HE22 GLN A 776 5.649 -14.103 3.637 1.00 0.00 H ATOM 362 HE21 GLN A 776 4.567 -14.105 2.196 1.00 0.00 H ATOM 363 H GLN A 776 2.571 -13.262 7.753 1.00 0.00 H ATOM 364 N MET A 777 1.424 -10.129 7.851 1.00 21.23 N ATOM 365 CA MET A 777 0.570 -8.974 8.101 1.00 20.73 C ATOM 366 C MET A 777 0.882 -8.279 9.436 1.00 27.93 C ATOM 367 O MET A 777 0.770 -7.058 9.516 1.00 27.94 O ATOM 368 CB MET A 777 -0.925 -9.323 7.964 1.00 22.18 C ATOM 369 CG MET A 777 -1.411 -9.393 6.508 1.00 24.43 C ATOM 370 SD MET A 777 -1.009 -7.949 5.467 1.00 27.02 S ATOM 371 CE MET A 777 -1.837 -6.628 6.411 1.00 24.26 C ATOM 372 H MET A 777 0.981 -11.070 7.854 1.00 0.00 H ATOM 373 N ILE A 778 1.343 -9.030 10.443 1.00 25.63 N ATOM 374 CA ILE A 778 1.765 -8.438 11.710 1.00 26.24 C ATOM 375 C ILE A 778 2.946 -7.494 11.409 1.00 30.70 C ATOM 376 O ILE A 778 2.971 -6.362 11.911 1.00 30.84 O ATOM 377 CB ILE A 778 2.109 -9.519 12.791 1.00 29.06 C ATOM 378 CG1 ILE A 778 0.832 -10.271 13.229 1.00 29.25 C ATOM 379 CG2 ILE A 778 2.815 -8.884 14.004 1.00 29.87 C ATOM 380 CD1 ILE A 778 1.022 -11.579 13.997 1.00 35.24 C ATOM 381 H ILE A 778 1.402 -10.061 10.321 1.00 0.00 H ATOM 382 N GLN A 779 3.885 -7.942 10.554 1.00 25.90 N ATOM 383 CA GLN A 779 5.036 -7.121 10.183 1.00 25.30 C ATOM 384 C GLN A 779 4.568 -5.936 9.340 1.00 28.55 C ATOM 385 O GLN A 779 4.964 -4.803 9.614 1.00 27.70 O ATOM 386 CB GLN A 779 6.079 -7.937 9.414 1.00 26.17 C ATOM 387 CG GLN A 779 6.796 -9.033 10.207 1.00 36.71 C ATOM 388 CD GLN A 779 8.005 -9.592 9.470 1.00 54.22 C ATOM 389 OE1 GLN A 779 8.988 -10.032 10.080 1.00 49.20 O ATOM 390 NE2 GLN A 779 7.961 -9.617 8.139 1.00 43.27 N ATOM 391 HE22 GLN A 779 7.129 -9.244 7.639 1.00 0.00 H ATOM 392 HE21 GLN A 779 8.759 -10.010 7.600 1.00 0.00 H ATOM 393 H GLN A 779 3.789 -8.895 10.148 1.00 0.00 H ATOM 394 N VAL A 780 3.683 -6.189 8.344 1.00 25.02 N ATOM 395 CA VAL A 780 3.127 -5.147 7.458 1.00 24.21 C ATOM 396 C VAL A 780 2.500 -4.010 8.288 1.00 30.29 C ATOM 397 O VAL A 780 2.739 -2.839 7.981 1.00 30.00 O ATOM 398 CB VAL A 780 2.134 -5.724 6.405 1.00 26.62 C ATOM 399 CG1 VAL A 780 1.379 -4.611 5.697 1.00 26.71 C ATOM 400 CG2 VAL A 780 2.848 -6.610 5.386 1.00 25.24 C ATOM 401 H VAL A 780 3.379 -7.172 8.196 1.00 0.00 H ATOM 402 N VAL A 781 1.713 -4.363 9.337 1.00 27.79 N ATOM 403 CA VAL A 781 1.045 -3.391 10.207 1.00 28.37 C ATOM 404 C VAL A 781 2.069 -2.617 11.053 1.00 33.39 C ATOM 405 O VAL A 781 1.903 -1.409 11.264 1.00 32.56 O ATOM 406 CB VAL A 781 -0.095 -4.026 11.043 1.00 32.23 C ATOM 407 CG1 VAL A 781 -0.734 -3.000 11.985 1.00 31.25 C ATOM 408 CG2 VAL A 781 -1.152 -4.639 10.128 1.00 31.81 C ATOM 409 H VAL A 781 1.577 -5.375 9.533 1.00 0.00 H ATOM 410 N LYS A 782 3.160 -3.297 11.473 1.00 30.21 N ATOM 411 CA LYS A 782 4.256 -2.663 12.213 1.00 29.54 C ATOM 412 C LYS A 782 5.003 -1.673 11.317 1.00 32.44 C ATOM 413 O LYS A 782 5.391 -0.608 11.788 1.00 32.76 O ATOM 414 CB LYS A 782 5.203 -3.705 12.810 1.00 31.34 C ATOM 415 CG LYS A 782 4.623 -4.402 14.047 1.00 42.89 C ATOM 416 CD LYS A 782 5.651 -5.291 14.765 1.00 47.21 C ATOM 417 CE LYS A 782 5.091 -5.883 16.031 1.00 59.16 C ATOM 418 NZ LYS A 782 6.118 -6.642 16.788 1.00 72.53 N ATOM 419 HZ1 LYS A 782 6.480 -7.418 16.197 1.00 0.00 H ATOM 420 HZ2 LYS A 782 6.900 -6.005 17.043 1.00 0.00 H ATOM 421 HZ3 LYS A 782 5.691 -7.033 17.652 1.00 0.00 H ATOM 422 H LYS A 782 3.225 -4.313 11.262 1.00 0.00 H ATOM 423 N TRP A 783 5.171 -2.017 10.024 1.00 27.59 N ATOM 424 CA TRP A 783 5.816 -1.186 8.995 1.00 26.69 C ATOM 425 C TRP A 783 4.963 0.074 8.714 1.00 30.42 C ATOM 426 O TRP A 783 5.499 1.182 8.686 1.00 30.53 O ATOM 427 CB TRP A 783 6.056 -2.028 7.721 1.00 24.88 C ATOM 428 CG TRP A 783 6.275 -1.258 6.452 1.00 25.45 C ATOM 429 CD1 TRP A 783 7.467 -0.827 5.949 1.00 28.08 C ATOM 430 CD2 TRP A 783 5.283 -0.952 5.457 1.00 25.30 C ATOM 431 NE1 TRP A 783 7.277 -0.229 4.722 1.00 27.27 N ATOM 432 CE2 TRP A 783 5.942 -0.285 4.400 1.00 28.35 C ATOM 433 CE3 TRP A 783 3.893 -1.174 5.359 1.00 26.46 C ATOM 434 CZ2 TRP A 783 5.261 0.187 3.275 1.00 26.84 C ATOM 435 CZ3 TRP A 783 3.217 -0.681 4.253 1.00 27.41 C ATOM 436 CH2 TRP A 783 3.898 -0.006 3.230 1.00 27.68 C ATOM 437 HE1 TRP A 783 8.023 0.196 4.135 1.00 0.00 H ATOM 438 H TRP A 783 4.815 -2.948 9.729 1.00 0.00 H ATOM 439 N ALA A 784 3.635 -0.111 8.540 1.00 25.51 N ATOM 440 CA ALA A 784 2.644 0.935 8.298 1.00 23.96 C ATOM 441 C ALA A 784 2.572 1.968 9.431 1.00 27.95 C ATOM 442 O ALA A 784 2.571 3.164 9.157 1.00 26.38 O ATOM 443 CB ALA A 784 1.269 0.314 8.069 1.00 23.54 C ATOM 444 H ALA A 784 3.286 -1.090 8.582 1.00 0.00 H ATOM 445 N LYS A 785 2.522 1.500 10.688 1.00 25.82 N ATOM 446 CA LYS A 785 2.417 2.292 11.919 1.00 26.98 C ATOM 447 C LYS A 785 3.440 3.447 12.013 1.00 33.50 C ATOM 448 O LYS A 785 3.099 4.523 12.493 1.00 34.58 O ATOM 449 CB LYS A 785 2.553 1.359 13.151 1.00 28.89 C ATOM 450 CG LYS A 785 2.348 2.029 14.506 1.00 34.04 C ATOM 451 CD LYS A 785 2.782 1.132 15.638 1.00 41.69 C ATOM 452 CE LYS A 785 2.721 1.842 16.968 1.00 49.59 C ATOM 453 NZ LYS A 785 3.119 0.944 18.083 1.00 55.67 N ATOM 454 HZ1 LYS A 785 2.476 0.127 18.115 1.00 0.00 H ATOM 455 HZ2 LYS A 785 4.093 0.614 17.930 1.00 0.00 H ATOM 456 HZ3 LYS A 785 3.066 1.465 18.982 1.00 0.00 H ATOM 457 H LYS A 785 2.562 0.467 10.802 1.00 0.00 H ATOM 458 N VAL A 786 4.677 3.204 11.566 1.00 31.03 N ATOM 459 CA VAL A 786 5.795 4.144 11.633 1.00 31.72 C ATOM 460 C VAL A 786 6.097 4.855 10.300 1.00 38.63 C ATOM 461 O VAL A 786 7.103 5.561 10.228 1.00 39.74 O ATOM 462 CB VAL A 786 7.067 3.451 12.214 1.00 35.23 C ATOM 463 CG1 VAL A 786 6.862 3.048 13.674 1.00 34.93 C ATOM 464 CG2 VAL A 786 7.494 2.245 11.377 1.00 34.85 C ATOM 465 H VAL A 786 4.858 2.274 11.137 1.00 0.00 H ATOM 466 N LEU A 787 5.255 4.672 9.246 1.00 35.22 N ATOM 467 CA LEU A 787 5.470 5.309 7.934 1.00 33.97 C ATOM 468 C LEU A 787 5.325 6.811 8.009 1.00 36.03 C ATOM 469 O LEU A 787 4.332 7.285 8.565 1.00 35.68 O ATOM 470 CB LEU A 787 4.485 4.808 6.867 1.00 33.73 C ATOM 471 CG LEU A 787 4.714 3.449 6.257 1.00 38.14 C ATOM 472 CD1 LEU A 787 3.507 3.029 5.475 1.00 38.13 C ATOM 473 CD2 LEU A 787 5.885 3.456 5.324 1.00 39.23 C ATOM 474 H LEU A 787 4.426 4.057 9.372 1.00 0.00 H ATOM 475 N PRO A 788 6.257 7.584 7.405 1.00 31.83 N ATOM 476 CA PRO A 788 6.099 9.053 7.399 1.00 30.81 C ATOM 477 C PRO A 788 4.760 9.446 6.772 1.00 34.27 C ATOM 478 O PRO A 788 4.434 8.971 5.685 1.00 34.33 O ATOM 479 CB PRO A 788 7.295 9.536 6.563 1.00 32.22 C ATOM 480 CG PRO A 788 8.311 8.433 6.677 1.00 37.10 C ATOM 481 CD PRO A 788 7.491 7.171 6.699 1.00 33.21 C ATOM 482 N GLY A 789 3.959 10.203 7.519 1.00 30.24 N ATOM 483 CA GLY A 789 2.644 10.679 7.101 1.00 29.95 C ATOM 484 C GLY A 789 1.468 9.817 7.520 1.00 32.84 C ATOM 485 O GLY A 789 0.419 10.348 7.886 1.00 31.79 O ATOM 486 H GLY A 789 4.293 10.474 8.466 1.00 0.00 H ATOM 487 N PHE A 790 1.618 8.479 7.443 1.00 30.02 N ATOM 488 CA PHE A 790 0.564 7.512 7.807 1.00 28.99 C ATOM 489 C PHE A 790 0.223 7.604 9.275 1.00 32.14 C ATOM 490 O PHE A 790 -0.950 7.537 9.639 1.00 30.54 O ATOM 491 CB PHE A 790 0.971 6.068 7.444 1.00 29.88 C ATOM 492 CG PHE A 790 -0.154 5.057 7.478 1.00 29.61 C ATOM 493 CD1 PHE A 790 -1.076 4.982 6.441 1.00 31.43 C ATOM 494 CD2 PHE A 790 -0.284 4.175 8.540 1.00 30.08 C ATOM 495 CE1 PHE A 790 -2.109 4.037 6.469 1.00 31.54 C ATOM 496 CE2 PHE A 790 -1.302 3.213 8.556 1.00 31.78 C ATOM 497 CZ PHE A 790 -2.213 3.159 7.526 1.00 29.71 C ATOM 498 H PHE A 790 2.529 8.107 7.108 1.00 0.00 H ATOM 499 N LYS A 791 1.242 7.804 10.109 1.00 31.41 N ATOM 500 CA LYS A 791 1.097 7.962 11.555 1.00 33.13 C ATOM 501 C LYS A 791 0.204 9.135 11.913 1.00 38.02 C ATOM 502 O LYS A 791 -0.296 9.163 13.026 1.00 39.23 O ATOM 503 CB LYS A 791 2.472 8.054 12.257 1.00 37.61 C ATOM 504 CG LYS A 791 3.398 9.163 11.751 1.00 52.79 C ATOM 505 CD LYS A 791 4.818 8.944 12.245 1.00 63.53 C ATOM 506 CE LYS A 791 5.719 10.100 11.909 1.00 74.41 C ATOM 507 NZ LYS A 791 6.773 10.273 12.939 1.00 86.70 N ATOM 508 HZ1 LYS A 791 6.328 10.454 13.861 1.00 0.00 H ATOM 509 HZ2 LYS A 791 7.348 9.408 12.994 1.00 0.00 H ATOM 510 HZ3 LYS A 791 7.379 11.078 12.681 1.00 0.00 H ATOM 511 H LYS A 791 2.200 7.851 9.707 1.00 0.00 H ATOM 512 N ASN A 792 -0.040 10.073 10.960 1.00 33.58 N ATOM 513 CA ASN A 792 -0.899 11.242 11.155 1.00 33.60 C ATOM 514 C ASN A 792 -2.372 11.032 10.730 1.00 36.59 C ATOM 515 O ASN A 792 -3.206 11.931 10.918 1.00 36.90 O ATOM 516 CB ASN A 792 -0.305 12.473 10.458 1.00 36.90 C ATOM 517 CG ASN A 792 1.091 12.835 10.914 1.00 60.18 C ATOM 518 OD1 ASN A 792 1.431 12.768 12.103 1.00 47.46 O ATOM 519 ND2 ASN A 792 1.928 13.233 9.965 1.00 55.19 N ATOM 520 HD22 ASN A 792 1.610 13.278 8.976 1.00 0.00 H ATOM 521 HD21 ASN A 792 2.903 13.500 10.210 1.00 0.00 H ATOM 522 H ASN A 792 0.413 9.952 10.032 1.00 0.00 H ATOM 523 N LEU A 793 -2.702 9.858 10.161 1.00 29.79 N ATOM 524 CA LEU A 793 -4.081 9.589 9.773 1.00 27.32 C ATOM 525 C LEU A 793 -4.819 9.052 10.996 1.00 29.88 C ATOM 526 O LEU A 793 -4.188 8.402 11.827 1.00 28.73 O ATOM 527 CB LEU A 793 -4.147 8.583 8.608 1.00 26.67 C ATOM 528 CG LEU A 793 -3.652 9.058 7.241 1.00 30.39 C ATOM 529 CD1 LEU A 793 -3.633 7.917 6.262 1.00 29.64 C ATOM 530 CD2 LEU A 793 -4.514 10.205 6.673 1.00 34.96 C ATOM 531 H LEU A 793 -1.969 9.139 9.997 1.00 0.00 H ATOM 532 N PRO A 794 -6.131 9.313 11.192 1.00 25.84 N ATOM 533 CA PRO A 794 -6.783 8.744 12.377 1.00 25.70 C ATOM 534 C PRO A 794 -6.768 7.217 12.291 1.00 29.27 C ATOM 535 O PRO A 794 -6.726 6.666 11.187 1.00 29.41 O ATOM 536 CB PRO A 794 -8.202 9.333 12.348 1.00 27.71 C ATOM 537 CG PRO A 794 -8.417 9.815 10.989 1.00 32.42 C ATOM 538 CD PRO A 794 -7.072 10.089 10.361 1.00 27.91 C ATOM 539 N LEU A 795 -6.742 6.541 13.447 1.00 24.45 N ATOM 540 CA LEU A 795 -6.723 5.083 13.567 1.00 23.40 C ATOM 541 C LEU A 795 -7.756 4.392 12.655 1.00 27.80 C ATOM 542 O LEU A 795 -7.410 3.432 11.984 1.00 27.86 O ATOM 543 CB LEU A 795 -6.904 4.686 15.040 1.00 23.64 C ATOM 544 CG LEU A 795 -6.983 3.179 15.377 1.00 28.31 C ATOM 545 CD1 LEU A 795 -5.646 2.494 15.164 1.00 27.75 C ATOM 546 CD2 LEU A 795 -7.453 2.971 16.810 1.00 30.76 C ATOM 547 H LEU A 795 -6.735 7.095 14.327 1.00 0.00 H ATOM 548 N GLU A 796 -8.990 4.916 12.579 1.00 24.76 N ATOM 549 CA GLU A 796 -10.062 4.368 11.736 1.00 25.33 C ATOM 550 C GLU A 796 -9.688 4.385 10.229 1.00 28.97 C ATOM 551 O GLU A 796 -10.019 3.444 9.499 1.00 28.32 O ATOM 552 CB GLU A 796 -11.391 5.092 12.049 1.00 26.60 C ATOM 553 CG GLU A 796 -12.443 5.156 10.951 1.00 37.26 C ATOM 554 CD GLU A 796 -13.682 5.955 11.328 1.00 64.41 C ATOM 555 OE1 GLU A 796 -13.559 6.934 12.101 1.00 53.97 O ATOM 556 OE2 GLU A 796 -14.780 5.603 10.837 1.00 61.12 O ATOM 557 H GLU A 796 -9.200 5.759 13.150 1.00 0.00 H ATOM 558 N ASP A 797 -8.994 5.444 9.781 1.00 24.81 N ATOM 559 CA ASP A 797 -8.532 5.546 8.395 1.00 24.05 C ATOM 560 C ASP A 797 -7.353 4.606 8.175 1.00 26.92 C ATOM 561 O ASP A 797 -7.225 4.043 7.092 1.00 23.66 O ATOM 562 CB ASP A 797 -8.177 6.994 8.024 1.00 25.01 C ATOM 563 CG ASP A 797 -9.405 7.894 7.941 1.00 31.46 C ATOM 564 OD1 ASP A 797 -10.536 7.358 7.852 1.00 29.62 O ATOM 565 OD2 ASP A 797 -9.233 9.128 7.890 1.00 37.64 O ATOM 566 H ASP A 797 -8.777 6.218 10.441 1.00 0.00 H ATOM 567 N GLN A 798 -6.519 4.411 9.217 1.00 24.58 N ATOM 568 CA GLN A 798 -5.375 3.495 9.156 1.00 24.87 C ATOM 569 C GLN A 798 -5.879 2.070 8.926 1.00 28.39 C ATOM 570 O GLN A 798 -5.417 1.409 8.003 1.00 28.46 O ATOM 571 CB GLN A 798 -4.514 3.580 10.426 1.00 25.64 C ATOM 572 CG GLN A 798 -3.793 4.925 10.594 1.00 26.77 C ATOM 573 CD GLN A 798 -2.795 4.908 11.728 1.00 33.15 C ATOM 574 OE1 GLN A 798 -2.946 4.213 12.742 1.00 29.53 O ATOM 575 NE2 GLN A 798 -1.756 5.693 11.590 1.00 21.55 N ATOM 576 HE22 GLN A 798 -1.649 6.268 10.730 1.00 0.00 H ATOM 577 HE21 GLN A 798 -1.038 5.741 12.340 1.00 0.00 H ATOM 578 H GLN A 798 -6.694 4.932 10.100 1.00 0.00 H ATOM 579 N ILE A 799 -6.890 1.648 9.701 1.00 25.75 N ATOM 580 CA ILE A 799 -7.548 0.331 9.625 1.00 25.53 C ATOM 581 C ILE A 799 -8.189 0.126 8.239 1.00 28.24 C ATOM 582 O ILE A 799 -7.915 -0.876 7.581 1.00 27.91 O ATOM 583 CB ILE A 799 -8.548 0.166 10.804 1.00 28.63 C ATOM 584 CG1 ILE A 799 -7.786 0.044 12.151 1.00 29.36 C ATOM 585 CG2 ILE A 799 -9.487 -1.024 10.576 1.00 28.72 C ATOM 586 CD1 ILE A 799 -8.601 0.311 13.397 1.00 37.48 C ATOM 587 H ILE A 799 -7.242 2.311 10.421 1.00 0.00 H ATOM 588 N THR A 800 -9.006 1.084 7.792 1.00 23.99 N ATOM 589 CA THR A 800 -9.638 1.051 6.466 1.00 23.57 C ATOM 590 C THR A 800 -8.602 0.813 5.346 1.00 25.46 C ATOM 591 O THR A 800 -8.799 -0.077 4.510 1.00 24.33 O ATOM 592 CB THR A 800 -10.404 2.345 6.227 1.00 26.18 C ATOM 593 OG1 THR A 800 -11.412 2.476 7.232 1.00 28.61 O ATOM 594 CG2 THR A 800 -11.014 2.413 4.838 1.00 22.58 C ATOM 595 HG1 THR A 800 -11.916 3.315 7.085 1.00 0.00 H ATOM 596 H THR A 800 -9.205 1.894 8.414 1.00 0.00 H ATOM 597 N LEU A 801 -7.496 1.596 5.351 1.00 20.27 N ATOM 598 CA LEU A 801 -6.443 1.485 4.338 1.00 19.73 C ATOM 599 C LEU A 801 -5.719 0.135 4.354 1.00 24.40 C ATOM 600 O LEU A 801 -5.483 -0.420 3.283 1.00 23.15 O ATOM 601 CB LEU A 801 -5.455 2.652 4.393 1.00 18.92 C ATOM 602 CG LEU A 801 -6.006 4.021 3.951 1.00 21.15 C ATOM 603 CD1 LEU A 801 -5.149 5.135 4.506 1.00 20.00 C ATOM 604 CD2 LEU A 801 -6.109 4.132 2.421 1.00 23.04 C ATOM 605 H LEU A 801 -7.390 2.305 6.105 1.00 0.00 H ATOM 606 N ILE A 802 -5.424 -0.415 5.547 1.00 21.23 N ATOM 607 CA ILE A 802 -4.780 -1.730 5.695 1.00 20.88 C ATOM 608 C ILE A 802 -5.742 -2.848 5.227 1.00 24.28 C ATOM 609 O ILE A 802 -5.323 -3.735 4.470 1.00 22.94 O ATOM 610 CB ILE A 802 -4.226 -1.944 7.138 1.00 23.71 C ATOM 611 CG1 ILE A 802 -3.052 -0.962 7.415 1.00 23.43 C ATOM 612 CG2 ILE A 802 -3.793 -3.408 7.378 1.00 22.76 C ATOM 613 CD1 ILE A 802 -2.824 -0.572 8.898 1.00 24.65 C ATOM 614 H ILE A 802 -5.664 0.117 6.408 1.00 0.00 H ATOM 615 N GLN A 803 -7.046 -2.744 5.597 1.00 19.64 N ATOM 616 CA GLN A 803 -8.067 -3.719 5.198 1.00 18.80 C ATOM 617 C GLN A 803 -8.316 -3.700 3.703 1.00 21.23 C ATOM 618 O GLN A 803 -8.489 -4.756 3.110 1.00 21.17 O ATOM 619 CB GLN A 803 -9.370 -3.513 5.959 1.00 19.58 C ATOM 620 CG GLN A 803 -9.244 -3.853 7.442 1.00 25.78 C ATOM 621 CD GLN A 803 -10.511 -3.556 8.187 1.00 33.08 C ATOM 622 OE1 GLN A 803 -11.452 -2.948 7.661 1.00 28.35 O ATOM 623 NE2 GLN A 803 -10.573 -4.007 9.422 1.00 21.40 N ATOM 624 HE22 GLN A 803 -9.763 -4.514 9.832 1.00 0.00 H ATOM 625 HE21 GLN A 803 -11.432 -3.856 9.988 1.00 0.00 H ATOM 626 H GLN A 803 -7.332 -1.938 6.189 1.00 0.00 H ATOM 627 N TYR A 804 -8.264 -2.529 3.078 1.00 17.13 N ATOM 628 CA TYR A 804 -8.455 -2.465 1.631 1.00 17.69 C ATOM 629 C TYR A 804 -7.228 -2.919 0.834 1.00 23.18 C ATOM 630 O TYR A 804 -7.395 -3.501 -0.234 1.00 23.98 O ATOM 631 CB TYR A 804 -8.840 -1.046 1.193 1.00 18.65 C ATOM 632 CG TYR A 804 -10.312 -0.693 1.324 1.00 22.11 C ATOM 633 CD1 TYR A 804 -11.306 -1.640 1.075 1.00 24.46 C ATOM 634 CD2 TYR A 804 -10.713 0.612 1.591 1.00 23.71 C ATOM 635 CE1 TYR A 804 -12.660 -1.310 1.163 1.00 26.53 C ATOM 636 CE2 TYR A 804 -12.065 0.956 1.664 1.00 24.80 C ATOM 637 CZ TYR A 804 -13.034 -0.008 1.460 1.00 31.52 C ATOM 638 OH TYR A 804 -14.361 0.337 1.558 1.00 33.39 O ATOM 639 HH TYR A 804 -14.922 -0.460 1.386 1.00 0.00 H ATOM 640 H TYR A 804 -8.087 -1.658 3.618 1.00 0.00 H ATOM 641 N SER A 805 -6.009 -2.640 1.336 1.00 19.88 N ATOM 642 CA SER A 805 -4.747 -2.868 0.618 1.00 19.19 C ATOM 643 C SER A 805 -3.930 -4.133 0.970 1.00 21.82 C ATOM 644 O SER A 805 -2.959 -4.416 0.246 1.00 21.85 O ATOM 645 CB SER A 805 -3.848 -1.648 0.771 1.00 20.72 C ATOM 646 OG SER A 805 -3.333 -1.580 2.092 1.00 30.54 O ATOM 647 HG SER A 805 -4.083 -1.513 2.734 1.00 0.00 H ATOM 648 H SER A 805 -5.958 -2.237 2.293 1.00 0.00 H ATOM 649 N TRP A 806 -4.289 -4.878 2.044 1.00 17.28 N ATOM 650 CA TRP A 806 -3.544 -6.071 2.496 1.00 17.32 C ATOM 651 C TRP A 806 -3.223 -7.049 1.350 1.00 17.84 C ATOM 652 O TRP A 806 -2.100 -7.523 1.255 1.00 14.02 O ATOM 653 CB TRP A 806 -4.247 -6.793 3.682 1.00 16.96 C ATOM 654 CG TRP A 806 -5.372 -7.728 3.294 1.00 18.46 C ATOM 655 CD1 TRP A 806 -6.688 -7.403 3.108 1.00 21.41 C ATOM 656 CD2 TRP A 806 -5.272 -9.143 3.064 1.00 18.14 C ATOM 657 NE1 TRP A 806 -7.403 -8.519 2.725 1.00 20.73 N ATOM 658 CE2 TRP A 806 -6.559 -9.603 2.698 1.00 22.22 C ATOM 659 CE3 TRP A 806 -4.208 -10.066 3.096 1.00 19.37 C ATOM 660 CZ2 TRP A 806 -6.816 -10.945 2.395 1.00 21.31 C ATOM 661 CZ3 TRP A 806 -4.458 -11.385 2.762 1.00 20.65 C ATOM 662 CH2 TRP A 806 -5.746 -11.813 2.409 1.00 21.48 C ATOM 663 HE1 TRP A 806 -8.417 -8.537 2.494 1.00 0.00 H ATOM 664 H TRP A 806 -5.135 -4.594 2.579 1.00 0.00 H ATOM 665 N MET A 807 -4.206 -7.334 0.482 1.00 15.29 N ATOM 666 CA MET A 807 -4.007 -8.230 -0.657 1.00 15.17 C ATOM 667 C MET A 807 -2.997 -7.673 -1.663 1.00 20.01 C ATOM 668 O MET A 807 -2.205 -8.443 -2.213 1.00 18.98 O ATOM 669 CB MET A 807 -5.328 -8.602 -1.351 1.00 16.65 C ATOM 670 CG MET A 807 -5.153 -9.704 -2.380 1.00 19.25 C ATOM 671 SD MET A 807 -4.566 -11.268 -1.669 1.00 21.19 S ATOM 672 CE MET A 807 -6.195 -11.966 -1.161 1.00 17.86 C ATOM 673 H MET A 807 -5.142 -6.903 0.624 1.00 0.00 H ATOM 674 N SER A 808 -3.054 -6.355 -1.926 1.00 16.63 N ATOM 675 CA SER A 808 -2.137 -5.704 -2.864 1.00 16.97 C ATOM 676 C SER A 808 -0.699 -5.698 -2.308 1.00 20.65 C ATOM 677 O SER A 808 0.244 -6.018 -3.038 1.00 20.48 O ATOM 678 CB SER A 808 -2.590 -4.274 -3.149 1.00 21.70 C ATOM 679 OG SER A 808 -1.996 -3.827 -4.354 1.00 33.44 O ATOM 680 HG SER A 808 -2.289 -2.900 -4.541 1.00 0.00 H ATOM 681 H SER A 808 -3.774 -5.778 -1.446 1.00 0.00 H ATOM 682 N LEU A 809 -0.534 -5.337 -1.026 1.00 16.95 N ATOM 683 CA LEU A 809 0.783 -5.330 -0.398 1.00 17.78 C ATOM 684 C LEU A 809 1.395 -6.739 -0.368 1.00 20.74 C ATOM 685 O LEU A 809 2.592 -6.889 -0.605 1.00 21.57 O ATOM 686 CB LEU A 809 0.708 -4.764 1.032 1.00 18.14 C ATOM 687 CG LEU A 809 0.235 -3.322 1.205 1.00 22.13 C ATOM 688 CD1 LEU A 809 0.087 -3.001 2.676 1.00 22.43 C ATOM 689 CD2 LEU A 809 1.191 -2.352 0.581 1.00 20.23 C ATOM 690 H LEU A 809 -1.365 -5.056 -0.467 1.00 0.00 H ATOM 691 N SER A 810 0.576 -7.754 -0.080 1.00 16.07 N ATOM 692 CA SER A 810 1.013 -9.157 0.001 1.00 16.05 C ATOM 693 C SER A 810 1.469 -9.694 -1.368 1.00 20.14 C ATOM 694 O SER A 810 2.547 -10.304 -1.470 1.00 18.56 O ATOM 695 CB SER A 810 -0.086 -10.035 0.589 1.00 16.49 C ATOM 696 OG SER A 810 -0.471 -9.599 1.883 1.00 20.36 O ATOM 697 HG SER A 810 0.312 -9.633 2.488 1.00 0.00 H ATOM 698 H SER A 810 -0.426 -7.541 0.097 1.00 0.00 H ATOM 699 N SER A 811 0.689 -9.418 -2.422 1.00 16.52 N ATOM 700 CA SER A 811 1.050 -9.867 -3.779 1.00 16.27 C ATOM 701 C SER A 811 2.290 -9.141 -4.325 1.00 19.15 C ATOM 702 O SER A 811 3.107 -9.759 -5.005 1.00 18.07 O ATOM 703 CB SER A 811 -0.122 -9.699 -4.733 1.00 19.59 C ATOM 704 OG SER A 811 0.145 -10.445 -5.906 1.00 32.19 O ATOM 705 HG SER A 811 0.976 -10.109 -6.327 1.00 0.00 H ATOM 706 H SER A 811 -0.188 -8.877 -2.280 1.00 0.00 H ATOM 707 N PHE A 812 2.416 -7.828 -4.040 1.00 16.73 N ATOM 708 CA PHE A 812 3.546 -7.016 -4.496 1.00 15.39 C ATOM 709 C PHE A 812 4.852 -7.465 -3.827 1.00 18.17 C ATOM 710 O PHE A 812 5.882 -7.531 -4.492 1.00 17.99 O ATOM 711 CB PHE A 812 3.270 -5.529 -4.235 1.00 16.78 C ATOM 712 CG PHE A 812 4.033 -4.555 -5.094 1.00 17.60 C ATOM 713 CD1 PHE A 812 3.759 -4.437 -6.458 1.00 20.12 C ATOM 714 CD2 PHE A 812 4.991 -3.711 -4.536 1.00 19.64 C ATOM 715 CE1 PHE A 812 4.447 -3.507 -7.250 1.00 20.32 C ATOM 716 CE2 PHE A 812 5.672 -2.774 -5.329 1.00 20.87 C ATOM 717 CZ PHE A 812 5.402 -2.687 -6.677 1.00 19.08 C ATOM 718 H PHE A 812 1.676 -7.371 -3.470 1.00 0.00 H ATOM 719 N ALA A 813 4.796 -7.815 -2.527 1.00 15.16 N ATOM 720 CA ALA A 813 5.949 -8.285 -1.756 1.00 15.21 C ATOM 721 C ALA A 813 6.349 -9.683 -2.230 1.00 18.90 C ATOM 722 O ALA A 813 7.544 -9.981 -2.327 1.00 18.50 O ATOM 723 CB ALA A 813 5.638 -8.282 -0.272 1.00 15.50 C ATOM 724 H ALA A 813 3.879 -7.747 -2.042 1.00 0.00 H ATOM 725 N LEU A 814 5.360 -10.506 -2.592 1.00 14.77 N ATOM 726 CA LEU A 814 5.582 -11.849 -3.148 1.00 15.19 C ATOM 727 C LEU A 814 6.378 -11.750 -4.449 1.00 20.32 C ATOM 728 O LEU A 814 7.321 -12.530 -4.655 1.00 21.21 O ATOM 729 CB LEU A 814 4.221 -12.551 -3.409 1.00 14.81 C ATOM 730 CG LEU A 814 4.231 -13.792 -4.321 1.00 18.77 C ATOM 731 CD1 LEU A 814 5.064 -14.926 -3.709 1.00 19.90 C ATOM 732 CD2 LEU A 814 2.848 -14.269 -4.576 1.00 19.66 C ATOM 733 H LEU A 814 4.380 -10.179 -2.474 1.00 0.00 H ATOM 734 N SER A 815 5.978 -10.810 -5.333 1.00 18.16 N ATOM 735 CA SER A 815 6.653 -10.584 -6.613 1.00 18.47 C ATOM 736 C SER A 815 8.044 -10.016 -6.381 1.00 23.17 C ATOM 737 O SER A 815 8.967 -10.399 -7.091 1.00 22.67 O ATOM 738 CB SER A 815 5.832 -9.676 -7.511 1.00 20.87 C ATOM 739 OG SER A 815 4.637 -10.335 -7.882 1.00 27.33 O ATOM 740 HG SER A 815 4.116 -10.554 -7.069 1.00 0.00 H ATOM 741 H SER A 815 5.155 -10.221 -5.094 1.00 0.00 H ATOM 742 N TRP A 816 8.202 -9.148 -5.357 1.00 21.01 N ATOM 743 CA TRP A 816 9.499 -8.610 -4.978 1.00 22.17 C ATOM 744 C TRP A 816 10.469 -9.743 -4.572 1.00 24.21 C ATOM 745 O TRP A 816 11.577 -9.804 -5.111 1.00 24.74 O ATOM 746 CB TRP A 816 9.393 -7.539 -3.878 1.00 21.71 C ATOM 747 CG TRP A 816 10.746 -7.041 -3.444 1.00 23.85 C ATOM 748 CD1 TRP A 816 11.395 -7.336 -2.279 1.00 26.92 C ATOM 749 CD2 TRP A 816 11.671 -6.270 -4.233 1.00 23.91 C ATOM 750 NE1 TRP A 816 12.637 -6.737 -2.262 1.00 26.24 N ATOM 751 CE2 TRP A 816 12.837 -6.088 -3.452 1.00 27.55 C ATOM 752 CE3 TRP A 816 11.609 -5.680 -5.513 1.00 25.44 C ATOM 753 CZ2 TRP A 816 13.943 -5.367 -3.917 1.00 27.04 C ATOM 754 CZ3 TRP A 816 12.691 -4.936 -5.960 1.00 27.26 C ATOM 755 CH2 TRP A 816 13.856 -4.819 -5.186 1.00 28.03 C ATOM 756 HE1 TRP A 816 13.313 -6.772 -1.473 1.00 0.00 H ATOM 757 H TRP A 816 7.363 -8.853 -4.819 1.00 0.00 H ATOM 758 N ARG A 817 10.042 -10.647 -3.659 1.00 18.19 N ATOM 759 CA ARG A 817 10.852 -11.791 -3.244 1.00 17.70 C ATOM 760 C ARG A 817 11.127 -12.723 -4.430 1.00 19.84 C ATOM 761 O ARG A 817 12.262 -13.188 -4.582 1.00 20.61 O ATOM 762 CB ARG A 817 10.187 -12.574 -2.106 1.00 18.87 C ATOM 763 CG ARG A 817 10.144 -11.814 -0.787 1.00 22.11 C ATOM 764 CD ARG A 817 9.653 -12.692 0.341 1.00 20.81 C ATOM 765 NE ARG A 817 8.352 -13.340 0.086 1.00 20.16 N ATOM 766 CZ ARG A 817 7.172 -12.779 0.331 1.00 28.59 C ATOM 767 NH1 ARG A 817 7.103 -11.530 0.780 1.00 16.11 N ATOM 768 NH2 ARG A 817 6.051 -13.460 0.127 1.00 15.77 N ATOM 769 HE ARG A 817 8.359 -14.301 -0.312 1.00 0.00 H ATOM 770 HH12 ARG A 817 6.177 -11.096 0.970 1.00 0.00 H ATOM 771 HH11 ARG A 817 7.975 -10.987 0.941 1.00 0.00 H ATOM 772 HH22 ARG A 817 5.130 -13.016 0.320 1.00 0.00 H ATOM 773 HH21 ARG A 817 6.093 -14.437 -0.226 1.00 0.00 H ATOM 774 H ARG A 817 9.100 -10.523 -3.236 1.00 0.00 H ATOM 775 N SER A 818 10.108 -12.973 -5.279 1.00 14.65 N ATOM 776 CA SER A 818 10.251 -13.812 -6.484 1.00 15.47 C ATOM 777 C SER A 818 11.356 -13.291 -7.380 1.00 22.21 C ATOM 778 O SER A 818 12.184 -14.065 -7.830 1.00 22.98 O ATOM 779 CB SER A 818 8.945 -13.882 -7.269 1.00 16.75 C ATOM 780 OG SER A 818 7.927 -14.476 -6.482 1.00 21.74 O ATOM 781 HG SER A 818 7.785 -13.935 -5.665 1.00 0.00 H ATOM 782 H SER A 818 9.178 -12.554 -5.074 1.00 0.00 H ATOM 783 N TYR A 819 11.394 -11.967 -7.587 1.00 19.87 N ATOM 784 CA TYR A 819 12.373 -11.277 -8.408 1.00 19.49 C ATOM 785 C TYR A 819 13.787 -11.334 -7.791 1.00 23.11 C ATOM 786 O TYR A 819 14.727 -11.751 -8.459 1.00 21.70 O ATOM 787 CB TYR A 819 11.870 -9.838 -8.659 1.00 20.47 C ATOM 788 CG TYR A 819 12.888 -8.804 -9.078 1.00 23.48 C ATOM 789 CD1 TYR A 819 13.605 -8.941 -10.263 1.00 25.27 C ATOM 790 CD2 TYR A 819 13.043 -7.623 -8.357 1.00 24.95 C ATOM 791 CE1 TYR A 819 14.512 -7.965 -10.676 1.00 27.09 C ATOM 792 CE2 TYR A 819 13.926 -6.630 -8.773 1.00 25.67 C ATOM 793 CZ TYR A 819 14.665 -6.807 -9.928 1.00 35.35 C ATOM 794 OH TYR A 819 15.530 -5.816 -10.324 1.00 38.67 O ATOM 795 HH TYR A 819 15.023 -4.980 -10.479 1.00 0.00 H ATOM 796 H TYR A 819 10.665 -11.388 -7.123 1.00 0.00 H ATOM 797 N LYS A 820 13.911 -10.957 -6.509 1.00 21.00 N ATOM 798 CA LYS A 820 15.172 -10.881 -5.762 1.00 20.68 C ATOM 799 C LYS A 820 15.804 -12.236 -5.429 1.00 23.71 C ATOM 800 O LYS A 820 17.036 -12.350 -5.416 1.00 22.92 O ATOM 801 CB LYS A 820 14.969 -10.037 -4.489 1.00 22.98 C ATOM 802 CG LYS A 820 16.101 -9.048 -4.230 1.00 47.93 C ATOM 803 CD LYS A 820 16.168 -7.915 -5.265 1.00 57.00 C ATOM 804 CE LYS A 820 17.400 -7.057 -5.092 1.00 66.24 C ATOM 805 NZ LYS A 820 17.531 -6.062 -6.189 1.00 76.89 N ATOM 806 HZ1 LYS A 820 17.601 -6.559 -7.100 1.00 0.00 H ATOM 807 HZ2 LYS A 820 16.696 -5.442 -6.195 1.00 0.00 H ATOM 808 HZ3 LYS A 820 18.387 -5.491 -6.037 1.00 0.00 H ATOM 809 H LYS A 820 13.041 -10.697 -6.002 1.00 0.00 H ATOM 810 N HIS A 821 14.994 -13.269 -5.209 1.00 18.85 N ATOM 811 CA HIS A 821 15.575 -14.567 -4.869 1.00 19.14 C ATOM 812 C HIS A 821 15.612 -15.580 -5.980 1.00 23.74 C ATOM 813 O HIS A 821 16.331 -16.579 -5.868 1.00 24.43 O ATOM 814 CB HIS A 821 14.878 -15.177 -3.664 1.00 18.92 C ATOM 815 CG HIS A 821 15.011 -14.353 -2.431 1.00 22.11 C ATOM 816 ND1 HIS A 821 15.862 -14.715 -1.425 1.00 24.11 N ATOM 817 CD2 HIS A 821 14.407 -13.191 -2.101 1.00 24.00 C ATOM 818 CE1 HIS A 821 15.742 -13.779 -0.499 1.00 23.87 C ATOM 819 NE2 HIS A 821 14.869 -12.844 -0.862 1.00 24.01 N ATOM 820 H HIS A 821 13.963 -13.155 -5.278 1.00 0.00 H ATOM 821 N THR A 822 14.805 -15.385 -7.023 1.00 18.99 N ATOM 822 CA THR A 822 14.739 -16.426 -8.048 1.00 19.03 C ATOM 823 C THR A 822 14.830 -15.853 -9.449 1.00 19.61 C ATOM 824 O THR A 822 14.672 -16.610 -10.406 1.00 18.20 O ATOM 825 CB THR A 822 13.430 -17.299 -7.883 1.00 28.36 C ATOM 826 OG1 THR A 822 12.316 -16.636 -8.491 1.00 25.82 O ATOM 827 CG2 THR A 822 13.104 -17.687 -6.429 1.00 23.24 C ATOM 828 HG1 THR A 822 12.178 -15.758 -8.055 1.00 0.00 H ATOM 829 H THR A 822 14.238 -14.517 -7.105 1.00 0.00 H ATOM 830 N ASN A 823 15.027 -14.522 -9.571 1.00 17.34 N ATOM 831 CA ASN A 823 15.015 -13.794 -10.851 1.00 18.32 C ATOM 832 C ASN A 823 13.664 -14.003 -11.565 1.00 23.53 C ATOM 833 O ASN A 823 13.613 -14.128 -12.790 1.00 25.11 O ATOM 834 CB ASN A 823 16.211 -14.147 -11.756 1.00 22.95 C ATOM 835 CG ASN A 823 16.476 -13.104 -12.809 1.00 48.54 C ATOM 836 OD1 ASN A 823 16.265 -11.901 -12.600 1.00 42.46 O ATOM 837 ND2 ASN A 823 16.944 -13.546 -13.962 1.00 46.75 N ATOM 838 HD22 ASN A 823 17.109 -14.563 -14.101 1.00 0.00 H ATOM 839 HD21 ASN A 823 17.148 -12.877 -14.731 1.00 0.00 H ATOM 840 H ASN A 823 15.199 -13.975 -8.703 1.00 0.00 H ATOM 841 N SER A 824 12.567 -14.060 -10.775 1.00 18.81 N ATOM 842 CA SER A 824 11.190 -14.288 -11.263 1.00 19.16 C ATOM 843 C SER A 824 11.031 -15.589 -12.086 1.00 25.64 C ATOM 844 O SER A 824 10.328 -15.616 -13.106 1.00 27.63 O ATOM 845 CB SER A 824 10.654 -13.073 -12.021 1.00 19.66 C ATOM 846 OG SER A 824 10.778 -11.911 -11.217 1.00 25.64 O ATOM 847 HG SER A 824 10.429 -11.129 -11.714 1.00 0.00 H ATOM 848 H SER A 824 12.702 -13.934 -9.751 1.00 0.00 H ATOM 849 N GLN A 825 11.642 -16.679 -11.618 1.00 22.24 N ATOM 850 CA GLN A 825 11.451 -17.981 -12.269 1.00 22.13 C ATOM 851 C GLN A 825 10.357 -18.725 -11.525 1.00 26.56 C ATOM 852 O GLN A 825 9.710 -19.594 -12.108 1.00 26.53 O ATOM 853 CB GLN A 825 12.726 -18.836 -12.226 1.00 23.68 C ATOM 854 CG GLN A 825 13.821 -18.403 -13.187 1.00 27.96 C ATOM 855 CD GLN A 825 15.066 -19.194 -12.900 1.00 41.47 C ATOM 856 OE1 GLN A 825 15.087 -20.424 -12.988 1.00 37.87 O ATOM 857 NE2 GLN A 825 16.121 -18.506 -12.498 1.00 30.51 N ATOM 858 HE22 GLN A 825 16.072 -17.469 -12.434 1.00 0.00 H ATOM 859 HE21 GLN A 825 17.000 -19.002 -12.246 1.00 0.00 H ATOM 860 H GLN A 825 12.259 -16.606 -10.784 1.00 0.00 H ATOM 861 N PHE A 826 10.230 -18.452 -10.204 1.00 22.24 N ATOM 862 CA PHE A 826 9.268 -19.099 -9.315 1.00 21.23 C ATOM 863 C PHE A 826 8.544 -18.062 -8.462 1.00 25.02 C ATOM 864 O PHE A 826 8.886 -16.876 -8.519 1.00 24.04 O ATOM 865 CB PHE A 826 9.974 -20.127 -8.413 1.00 22.44 C ATOM 866 CG PHE A 826 10.881 -21.092 -9.135 1.00 23.16 C ATOM 867 CD1 PHE A 826 10.357 -22.074 -9.964 1.00 25.81 C ATOM 868 CD2 PHE A 826 12.262 -20.980 -9.029 1.00 24.18 C ATOM 869 CE1 PHE A 826 11.194 -22.930 -10.676 1.00 27.65 C ATOM 870 CE2 PHE A 826 13.102 -21.853 -9.718 1.00 27.97 C ATOM 871 CZ PHE A 826 12.565 -22.823 -10.540 1.00 26.76 C ATOM 872 H PHE A 826 10.860 -17.733 -9.795 1.00 0.00 H ATOM 873 N LEU A 827 7.539 -18.514 -7.682 1.00 20.87 N ATOM 874 CA LEU A 827 6.775 -17.688 -6.757 1.00 20.25 C ATOM 875 C LEU A 827 7.325 -17.981 -5.381 1.00 23.34 C ATOM 876 O LEU A 827 7.088 -19.055 -4.826 1.00 23.62 O ATOM 877 CB LEU A 827 5.258 -17.991 -6.856 1.00 20.09 C ATOM 878 CG LEU A 827 4.533 -17.346 -8.041 1.00 23.63 C ATOM 879 CD1 LEU A 827 3.173 -17.963 -8.227 1.00 24.30 C ATOM 880 CD2 LEU A 827 4.384 -15.818 -7.849 1.00 22.05 C ATOM 881 H LEU A 827 7.293 -19.522 -7.746 1.00 0.00 H ATOM 882 N TYR A 828 8.146 -17.063 -4.881 1.00 18.79 N ATOM 883 CA TYR A 828 8.853 -17.203 -3.612 1.00 16.82 C ATOM 884 C TYR A 828 7.987 -16.705 -2.476 1.00 18.65 C ATOM 885 O TYR A 828 8.156 -15.573 -2.027 1.00 18.76 O ATOM 886 CB TYR A 828 10.199 -16.449 -3.712 1.00 16.73 C ATOM 887 CG TYR A 828 11.213 -16.702 -2.613 1.00 16.63 C ATOM 888 CD1 TYR A 828 11.141 -16.020 -1.401 1.00 18.47 C ATOM 889 CD2 TYR A 828 12.341 -17.491 -2.848 1.00 17.34 C ATOM 890 CE1 TYR A 828 12.128 -16.169 -0.426 1.00 21.33 C ATOM 891 CE2 TYR A 828 13.329 -17.655 -1.878 1.00 17.80 C ATOM 892 CZ TYR A 828 13.236 -16.966 -0.680 1.00 25.62 C ATOM 893 OH TYR A 828 14.207 -17.114 0.285 1.00 24.00 O ATOM 894 HH TYR A 828 13.981 -16.552 1.068 1.00 0.00 H ATOM 895 H TYR A 828 8.294 -16.191 -5.428 1.00 0.00 H ATOM 896 N PHE A 829 7.029 -17.532 -2.025 1.00 15.88 N ATOM 897 CA PHE A 829 6.131 -17.153 -0.926 1.00 16.83 C ATOM 898 C PHE A 829 6.915 -16.969 0.365 1.00 19.96 C ATOM 899 O PHE A 829 6.700 -15.993 1.093 1.00 18.55 O ATOM 900 CB PHE A 829 4.971 -18.161 -0.744 1.00 18.76 C ATOM 901 CG PHE A 829 3.901 -18.078 -1.808 1.00 19.96 C ATOM 902 CD1 PHE A 829 2.835 -17.192 -1.679 1.00 21.52 C ATOM 903 CD2 PHE A 829 3.949 -18.897 -2.931 1.00 23.40 C ATOM 904 CE1 PHE A 829 1.835 -17.121 -2.657 1.00 23.64 C ATOM 905 CE2 PHE A 829 2.947 -18.828 -3.914 1.00 24.05 C ATOM 906 CZ PHE A 829 1.901 -17.933 -3.772 1.00 21.69 C ATOM 907 H PHE A 829 6.920 -18.467 -2.467 1.00 0.00 H ATOM 908 N ALA A 830 7.848 -17.899 0.626 1.00 17.89 N ATOM 909 CA ALA A 830 8.740 -17.893 1.794 1.00 17.53 C ATOM 910 C ALA A 830 9.998 -18.664 1.395 1.00 23.14 C ATOM 911 O ALA A 830 9.924 -19.382 0.397 1.00 21.96 O ATOM 912 CB ALA A 830 8.052 -18.576 2.980 1.00 17.54 C ATOM 913 H ALA A 830 7.947 -18.683 -0.050 1.00 0.00 H ATOM 914 N PRO A 831 11.144 -18.582 2.135 1.00 22.06 N ATOM 915 CA PRO A 831 12.338 -19.376 1.740 1.00 22.47 C ATOM 916 C PRO A 831 12.098 -20.900 1.669 1.00 28.16 C ATOM 917 O PRO A 831 12.662 -21.585 0.812 1.00 28.07 O ATOM 918 CB PRO A 831 13.383 -19.010 2.808 1.00 23.62 C ATOM 919 CG PRO A 831 12.937 -17.726 3.364 1.00 28.29 C ATOM 920 CD PRO A 831 11.428 -17.766 3.334 1.00 23.89 C ATOM 921 N ASP A 832 11.210 -21.406 2.538 1.00 24.64 N ATOM 922 CA ASP A 832 10.827 -22.817 2.655 1.00 23.94 C ATOM 923 C ASP A 832 9.552 -23.179 1.876 1.00 28.59 C ATOM 924 O ASP A 832 9.103 -24.323 1.950 1.00 29.63 O ATOM 925 CB ASP A 832 10.697 -23.198 4.141 1.00 25.03 C ATOM 926 CG ASP A 832 9.636 -22.443 4.924 1.00 28.08 C ATOM 927 OD1 ASP A 832 9.219 -21.349 4.468 1.00 24.30 O ATOM 928 OD2 ASP A 832 9.314 -22.879 6.055 1.00 35.07 O ATOM 929 H ASP A 832 10.751 -20.736 3.188 1.00 0.00 H ATOM 930 N LEU A 833 8.970 -22.215 1.133 1.00 22.87 N ATOM 931 CA LEU A 833 7.802 -22.470 0.301 1.00 22.35 C ATOM 932 C LEU A 833 7.886 -21.659 -0.995 1.00 25.24 C ATOM 933 O LEU A 833 7.485 -20.492 -1.040 1.00 23.73 O ATOM 934 CB LEU A 833 6.466 -22.282 1.059 1.00 22.62 C ATOM 935 CG LEU A 833 5.153 -22.681 0.333 1.00 27.46 C ATOM 936 CD1 LEU A 833 5.279 -24.016 -0.457 1.00 28.79 C ATOM 937 CD2 LEU A 833 4.022 -22.797 1.311 1.00 26.15 C ATOM 938 H LEU A 833 9.370 -21.255 1.155 1.00 0.00 H ATOM 939 N VAL A 834 8.445 -22.301 -2.045 1.00 20.97 N ATOM 940 CA VAL A 834 8.659 -21.719 -3.372 1.00 20.35 C ATOM 941 C VAL A 834 7.813 -22.506 -4.377 1.00 23.21 C ATOM 942 O VAL A 834 7.970 -23.719 -4.499 1.00 22.47 O ATOM 943 CB VAL A 834 10.169 -21.690 -3.765 1.00 25.05 C ATOM 944 CG1 VAL A 834 10.379 -20.912 -5.058 1.00 24.86 C ATOM 945 CG2 VAL A 834 11.030 -21.092 -2.653 1.00 25.32 C ATOM 946 H VAL A 834 8.747 -23.285 -1.899 1.00 0.00 H ATOM 947 N PHE A 835 6.896 -21.825 -5.073 1.00 18.45 N ATOM 948 CA PHE A 835 6.023 -22.485 -6.045 1.00 16.65 C ATOM 949 C PHE A 835 6.614 -22.540 -7.414 1.00 22.95 C ATOM 950 O PHE A 835 7.023 -21.518 -7.971 1.00 23.15 O ATOM 951 CB PHE A 835 4.643 -21.784 -6.169 1.00 16.10 C ATOM 952 CG PHE A 835 3.541 -22.186 -5.223 1.00 15.31 C ATOM 953 CD1 PHE A 835 3.822 -22.535 -3.904 1.00 17.26 C ATOM 954 CD2 PHE A 835 2.210 -22.110 -5.614 1.00 16.25 C ATOM 955 CE1 PHE A 835 2.795 -22.853 -3.016 1.00 18.10 C ATOM 956 CE2 PHE A 835 1.181 -22.394 -4.709 1.00 18.68 C ATOM 957 CZ PHE A 835 1.479 -22.757 -3.412 1.00 15.60 C ATOM 958 H PHE A 835 6.801 -20.801 -4.920 1.00 0.00 H ATOM 959 N ASN A 836 6.567 -23.733 -7.990 1.00 20.05 N ATOM 960 CA ASN A 836 6.898 -23.978 -9.382 1.00 20.25 C ATOM 961 C ASN A 836 5.514 -24.240 -10.019 1.00 23.13 C ATOM 962 O ASN A 836 4.501 -24.122 -9.312 1.00 21.77 O ATOM 963 CB ASN A 836 7.837 -25.196 -9.510 1.00 23.38 C ATOM 964 CG ASN A 836 7.422 -26.448 -8.744 1.00 40.43 C ATOM 965 OD1 ASN A 836 6.349 -26.536 -8.124 1.00 28.82 O ATOM 966 ND2 ASN A 836 8.289 -27.451 -8.761 1.00 32.78 N ATOM 967 HD22 ASN A 836 9.182 -27.358 -9.286 1.00 0.00 H ATOM 968 HD21 ASN A 836 8.076 -28.331 -8.249 1.00 0.00 H ATOM 969 H ASN A 836 6.275 -24.544 -7.408 1.00 0.00 H ATOM 970 N GLU A 837 5.456 -24.596 -11.318 1.00 19.30 N ATOM 971 CA GLU A 837 4.204 -24.903 -12.020 1.00 19.80 C ATOM 972 C GLU A 837 3.419 -26.026 -11.318 1.00 20.37 C ATOM 973 O GLU A 837 2.193 -25.999 -11.261 1.00 18.58 O ATOM 974 CB GLU A 837 4.499 -25.312 -13.491 1.00 21.70 C ATOM 975 CG GLU A 837 4.935 -24.157 -14.385 1.00 26.03 C ATOM 976 CD GLU A 837 3.811 -23.279 -14.895 1.00 43.08 C ATOM 977 OE1 GLU A 837 2.655 -23.751 -14.919 1.00 40.80 O ATOM 978 OE2 GLU A 837 4.087 -22.131 -15.305 1.00 40.06 O ATOM 979 H GLU A 837 6.347 -24.656 -11.852 1.00 0.00 H ATOM 980 N GLU A 838 4.135 -27.010 -10.798 1.00 16.88 N ATOM 981 CA GLU A 838 3.568 -28.178 -10.123 1.00 16.76 C ATOM 982 C GLU A 838 2.730 -27.793 -8.908 1.00 20.90 C ATOM 983 O GLU A 838 1.560 -28.192 -8.832 1.00 19.15 O ATOM 984 CB GLU A 838 4.667 -29.187 -9.770 1.00 18.06 C ATOM 985 CG GLU A 838 5.292 -29.865 -10.983 1.00 29.30 C ATOM 986 CD GLU A 838 6.243 -29.047 -11.840 1.00 55.86 C ATOM 987 OE1 GLU A 838 6.718 -27.985 -11.377 1.00 52.34 O ATOM 988 OE2 GLU A 838 6.497 -29.465 -12.992 1.00 57.85 O ATOM 989 H GLU A 838 5.170 -26.949 -10.874 1.00 0.00 H ATOM 990 N LYS A 839 3.301 -26.958 -8.002 1.00 19.49 N ATOM 991 CA LYS A 839 2.617 -26.478 -6.795 1.00 20.86 C ATOM 992 C LYS A 839 1.453 -25.572 -7.133 1.00 23.74 C ATOM 993 O LYS A 839 0.425 -25.628 -6.450 1.00 23.06 O ATOM 994 CB LYS A 839 3.585 -25.785 -5.827 1.00 23.73 C ATOM 995 CG LYS A 839 4.240 -26.803 -4.921 1.00 35.94 C ATOM 996 CD LYS A 839 4.653 -26.241 -3.583 1.00 41.62 C ATOM 997 CE LYS A 839 5.219 -27.324 -2.696 1.00 44.42 C ATOM 998 NZ LYS A 839 6.405 -27.988 -3.298 1.00 40.55 N ATOM 999 HZ1 LYS A 839 6.135 -28.422 -4.204 1.00 0.00 H ATOM 1000 HZ2 LYS A 839 7.151 -27.282 -3.460 1.00 0.00 H ATOM 1001 HZ3 LYS A 839 6.755 -28.723 -2.651 1.00 0.00 H ATOM 1002 H LYS A 839 4.277 -26.641 -8.173 1.00 0.00 H ATOM 1003 N MET A 840 1.610 -24.766 -8.216 1.00 19.07 N ATOM 1004 CA MET A 840 0.579 -23.871 -8.724 1.00 19.26 C ATOM 1005 C MET A 840 -0.677 -24.659 -9.066 1.00 23.25 C ATOM 1006 O MET A 840 -1.756 -24.276 -8.623 1.00 23.84 O ATOM 1007 CB MET A 840 1.073 -23.061 -9.928 1.00 21.06 C ATOM 1008 CG MET A 840 2.033 -21.938 -9.563 1.00 23.72 C ATOM 1009 SD MET A 840 2.852 -21.222 -11.006 1.00 27.32 S ATOM 1010 CE MET A 840 1.484 -20.707 -11.953 1.00 24.50 C ATOM 1011 H MET A 840 2.523 -24.790 -8.713 1.00 0.00 H ATOM 1012 N HIS A 841 -0.535 -25.789 -9.809 1.00 19.79 N ATOM 1013 CA HIS A 841 -1.667 -26.668 -10.146 1.00 18.69 C ATOM 1014 C HIS A 841 -2.321 -27.298 -8.889 1.00 23.18 C ATOM 1015 O HIS A 841 -3.558 -27.333 -8.772 1.00 25.15 O ATOM 1016 CB HIS A 841 -1.231 -27.760 -11.148 1.00 18.61 C ATOM 1017 CG HIS A 841 -1.086 -27.264 -12.561 1.00 20.96 C ATOM 1018 ND1 HIS A 841 -2.158 -26.718 -13.247 1.00 22.25 N ATOM 1019 CD2 HIS A 841 -0.012 -27.283 -13.383 1.00 21.95 C ATOM 1020 CE1 HIS A 841 -1.709 -26.427 -14.458 1.00 20.79 C ATOM 1021 NE2 HIS A 841 -0.422 -26.725 -14.582 1.00 21.36 N ATOM 1022 H HIS A 841 0.413 -26.043 -10.154 1.00 0.00 H ATOM 1023 N GLN A 842 -1.502 -27.759 -7.946 1.00 18.55 N ATOM 1024 CA GLN A 842 -1.977 -28.414 -6.712 1.00 19.11 C ATOM 1025 C GLN A 842 -2.649 -27.472 -5.712 1.00 23.66 C ATOM 1026 O GLN A 842 -3.439 -27.939 -4.898 1.00 23.84 O ATOM 1027 CB GLN A 842 -0.846 -29.186 -6.015 1.00 20.77 C ATOM 1028 CG GLN A 842 -0.273 -30.370 -6.808 1.00 27.82 C ATOM 1029 CD GLN A 842 -1.321 -31.363 -7.280 1.00 30.78 C ATOM 1030 OE1 GLN A 842 -2.249 -31.729 -6.554 1.00 21.80 O ATOM 1031 NE2 GLN A 842 -1.166 -31.860 -8.501 1.00 16.99 N ATOM 1032 HE22 GLN A 842 -0.377 -31.538 -9.097 1.00 0.00 H ATOM 1033 HE21 GLN A 842 -1.834 -32.571 -8.862 1.00 0.00 H ATOM 1034 H GLN A 842 -0.477 -27.652 -8.086 1.00 0.00 H ATOM 1035 N SER A 843 -2.348 -26.156 -5.776 1.00 18.65 N ATOM 1036 CA SER A 843 -2.916 -25.156 -4.863 1.00 17.24 C ATOM 1037 C SER A 843 -4.377 -24.866 -5.190 1.00 22.01 C ATOM 1038 O SER A 843 -5.061 -24.228 -4.391 1.00 22.34 O ATOM 1039 CB SER A 843 -2.110 -23.863 -4.937 1.00 18.10 C ATOM 1040 OG SER A 843 -2.293 -23.245 -6.200 1.00 18.95 O ATOM 1041 HG SER A 843 -1.988 -23.859 -6.914 1.00 0.00 H ATOM 1042 H SER A 843 -1.682 -25.836 -6.508 1.00 0.00 H ATOM 1043 N ALA A 844 -4.846 -25.305 -6.380 1.00 17.87 N ATOM 1044 CA ALA A 844 -6.193 -25.066 -6.903 1.00 17.82 C ATOM 1045 C ALA A 844 -6.392 -23.577 -7.294 1.00 21.43 C ATOM 1046 O ALA A 844 -7.526 -23.125 -7.433 1.00 20.18 O ATOM 1047 CB ALA A 844 -7.253 -25.517 -5.906 1.00 18.38 C ATOM 1048 H ALA A 844 -4.196 -25.859 -6.973 1.00 0.00 H ATOM 1049 N MET A 845 -5.293 -22.819 -7.477 1.00 18.63 N ATOM 1050 CA MET A 845 -5.371 -21.404 -7.888 1.00 18.20 C ATOM 1051 C MET A 845 -4.304 -21.085 -8.957 1.00 23.23 C ATOM 1052 O MET A 845 -3.634 -20.050 -8.923 1.00 23.79 O ATOM 1053 CB MET A 845 -5.351 -20.447 -6.669 1.00 19.92 C ATOM 1054 CG MET A 845 -4.092 -20.548 -5.805 1.00 23.17 C ATOM 1055 SD MET A 845 -3.634 -18.959 -5.055 1.00 26.28 S ATOM 1056 CE MET A 845 -2.182 -19.453 -4.139 1.00 22.54 C ATOM 1057 H MET A 845 -4.357 -23.246 -7.323 1.00 0.00 H ATOM 1058 N TYR A 846 -4.170 -21.988 -9.918 1.00 20.09 N ATOM 1059 CA TYR A 846 -3.181 -21.894 -10.986 1.00 19.97 C ATOM 1060 C TYR A 846 -3.223 -20.560 -11.770 1.00 22.19 C ATOM 1061 O TYR A 846 -2.169 -19.951 -11.965 1.00 20.30 O ATOM 1062 CB TYR A 846 -3.282 -23.113 -11.944 1.00 21.11 C ATOM 1063 CG TYR A 846 -2.291 -23.036 -13.083 1.00 22.39 C ATOM 1064 CD1 TYR A 846 -0.993 -23.509 -12.933 1.00 23.37 C ATOM 1065 CD2 TYR A 846 -2.612 -22.383 -14.272 1.00 24.40 C ATOM 1066 CE1 TYR A 846 -0.058 -23.393 -13.956 1.00 23.91 C ATOM 1067 CE2 TYR A 846 -1.665 -22.211 -15.280 1.00 24.72 C ATOM 1068 CZ TYR A 846 -0.391 -22.721 -15.116 1.00 27.92 C ATOM 1069 OH TYR A 846 0.541 -22.589 -16.105 1.00 28.27 O ATOM 1070 HH TYR A 846 1.389 -23.010 -15.816 1.00 0.00 H ATOM 1071 H TYR A 846 -4.806 -22.811 -9.910 1.00 0.00 H ATOM 1072 N GLU A 847 -4.401 -20.151 -12.278 1.00 20.05 N ATOM 1073 CA GLU A 847 -4.504 -18.900 -13.052 1.00 20.48 C ATOM 1074 C GLU A 847 -4.173 -17.666 -12.230 1.00 22.21 C ATOM 1075 O GLU A 847 -3.531 -16.747 -12.747 1.00 22.64 O ATOM 1076 CB GLU A 847 -5.861 -18.749 -13.765 1.00 22.67 C ATOM 1077 CG GLU A 847 -5.909 -19.498 -15.095 1.00 37.89 C ATOM 1078 CD GLU A 847 -4.900 -19.110 -16.167 1.00 72.47 C ATOM 1079 OE1 GLU A 847 -4.535 -17.914 -16.257 1.00 74.24 O ATOM 1080 OE2 GLU A 847 -4.480 -20.012 -16.929 1.00 71.60 O ATOM 1081 H GLU A 847 -5.253 -20.727 -12.122 1.00 0.00 H ATOM 1082 N LEU A 848 -4.541 -17.673 -10.936 1.00 16.98 N ATOM 1083 CA LEU A 848 -4.234 -16.544 -10.050 1.00 16.73 C ATOM 1084 C LEU A 848 -2.746 -16.490 -9.746 1.00 22.15 C ATOM 1085 O LEU A 848 -2.190 -15.398 -9.607 1.00 22.73 O ATOM 1086 CB LEU A 848 -5.068 -16.600 -8.768 1.00 16.51 C ATOM 1087 CG LEU A 848 -6.602 -16.510 -8.973 1.00 20.37 C ATOM 1088 CD1 LEU A 848 -7.312 -16.789 -7.705 1.00 20.84 C ATOM 1089 CD2 LEU A 848 -7.020 -15.166 -9.523 1.00 19.80 C ATOM 1090 H LEU A 848 -5.053 -18.495 -10.556 1.00 0.00 H ATOM 1091 N CYS A 849 -2.100 -17.664 -9.657 1.00 20.36 N ATOM 1092 CA CYS A 849 -0.650 -17.775 -9.437 1.00 20.31 C ATOM 1093 C CYS A 849 0.018 -17.202 -10.666 1.00 20.52 C ATOM 1094 O CYS A 849 0.885 -16.358 -10.526 1.00 20.88 O ATOM 1095 CB CYS A 849 -0.242 -19.227 -9.189 1.00 21.41 C ATOM 1096 SG CYS A 849 -0.446 -19.783 -7.475 1.00 25.52 S ATOM 1097 H CYS A 849 -2.654 -18.540 -9.748 1.00 0.00 H ATOM 1098 N GLN A 850 -0.449 -17.583 -11.876 1.00 18.01 N ATOM 1099 CA GLN A 850 0.045 -17.031 -13.154 1.00 17.39 C ATOM 1100 C GLN A 850 -0.085 -15.502 -13.201 1.00 20.29 C ATOM 1101 O GLN A 850 0.847 -14.836 -13.624 1.00 18.90 O ATOM 1102 CB GLN A 850 -0.668 -17.678 -14.356 1.00 18.85 C ATOM 1103 CG GLN A 850 0.004 -18.961 -14.851 1.00 34.57 C ATOM 1104 CD GLN A 850 1.446 -18.749 -15.284 1.00 59.82 C ATOM 1105 OE1 GLN A 850 1.803 -17.761 -15.945 1.00 61.31 O ATOM 1106 NE2 GLN A 850 2.314 -19.666 -14.911 1.00 48.68 N ATOM 1107 HE22 GLN A 850 1.997 -20.487 -14.357 1.00 0.00 H ATOM 1108 HE21 GLN A 850 3.317 -19.569 -15.170 1.00 0.00 H ATOM 1109 H GLN A 850 -1.197 -18.304 -11.909 1.00 0.00 H ATOM 1110 N GLY A 851 -1.210 -14.968 -12.714 1.00 19.26 N ATOM 1111 CA GLY A 851 -1.458 -13.528 -12.607 1.00 18.95 C ATOM 1112 C GLY A 851 -0.463 -12.843 -11.681 1.00 22.89 C ATOM 1113 O GLY A 851 0.048 -11.774 -12.011 1.00 22.43 O ATOM 1114 H GLY A 851 -1.956 -15.616 -12.391 1.00 0.00 H ATOM 1115 N MET A 852 -0.158 -13.461 -10.520 1.00 18.42 N ATOM 1116 CA MET A 852 0.830 -12.912 -9.572 1.00 17.43 C ATOM 1117 C MET A 852 2.278 -13.004 -10.146 1.00 22.28 C ATOM 1118 O MET A 852 3.100 -12.106 -9.908 1.00 20.32 O ATOM 1119 CB MET A 852 0.740 -13.629 -8.223 1.00 18.71 C ATOM 1120 CG MET A 852 -0.537 -13.302 -7.454 1.00 20.31 C ATOM 1121 SD MET A 852 -0.517 -13.848 -5.726 1.00 22.12 S ATOM 1122 CE MET A 852 -0.693 -15.623 -5.939 1.00 18.26 C ATOM 1123 H MET A 852 -0.636 -14.355 -10.286 1.00 0.00 H ATOM 1124 N HIS A 853 2.561 -14.082 -10.926 1.00 19.09 N ATOM 1125 CA HIS A 853 3.848 -14.301 -11.610 1.00 18.75 C ATOM 1126 C HIS A 853 4.099 -13.236 -12.687 1.00 22.42 C ATOM 1127 O HIS A 853 5.245 -12.840 -12.882 1.00 23.22 O ATOM 1128 CB HIS A 853 3.925 -15.728 -12.219 1.00 18.96 C ATOM 1129 CG HIS A 853 5.171 -16.001 -13.017 1.00 22.10 C ATOM 1130 ND1 HIS A 853 6.430 -16.003 -12.422 1.00 23.42 N ATOM 1131 CD2 HIS A 853 5.314 -16.271 -14.339 1.00 23.86 C ATOM 1132 CE1 HIS A 853 7.291 -16.248 -13.400 1.00 23.10 C ATOM 1133 NE2 HIS A 853 6.669 -16.432 -14.570 1.00 23.57 N ATOM 1134 H HIS A 853 1.819 -14.800 -11.048 1.00 0.00 H ATOM 1135 N GLN A 854 3.041 -12.751 -13.367 1.00 19.87 N ATOM 1136 CA GLN A 854 3.158 -11.735 -14.430 1.00 20.01 C ATOM 1137 C GLN A 854 3.754 -10.443 -13.879 1.00 23.89 C ATOM 1138 O GLN A 854 4.513 -9.762 -14.583 1.00 22.48 O ATOM 1139 CB GLN A 854 1.784 -11.433 -15.072 1.00 21.53 C ATOM 1140 CG GLN A 854 1.171 -12.584 -15.869 1.00 37.53 C ATOM 1141 CD GLN A 854 2.102 -13.225 -16.875 1.00 57.49 C ATOM 1142 OE1 GLN A 854 2.674 -12.562 -17.750 1.00 50.83 O ATOM 1143 NE2 GLN A 854 2.271 -14.537 -16.763 1.00 54.24 N ATOM 1144 HE22 GLN A 854 1.775 -15.063 -16.016 1.00 0.00 H ATOM 1145 HE21 GLN A 854 2.900 -15.038 -17.422 1.00 0.00 H ATOM 1146 H GLN A 854 2.095 -13.111 -13.130 1.00 0.00 H ATOM 1147 N ILE A 855 3.407 -10.115 -12.602 1.00 20.49 N ATOM 1148 CA ILE A 855 3.918 -8.923 -11.909 1.00 19.18 C ATOM 1149 C ILE A 855 5.427 -9.135 -11.673 1.00 21.54 C ATOM 1150 O ILE A 855 6.198 -8.233 -11.953 1.00 19.24 O ATOM 1151 CB ILE A 855 3.118 -8.637 -10.598 1.00 21.36 C ATOM 1152 CG1 ILE A 855 1.592 -8.393 -10.864 1.00 20.45 C ATOM 1153 CG2 ILE A 855 3.736 -7.509 -9.750 1.00 21.19 C ATOM 1154 CD1 ILE A 855 1.171 -7.201 -11.805 1.00 21.27 C ATOM 1155 H ILE A 855 2.748 -10.739 -12.093 1.00 0.00 H ATOM 1156 N SER A 856 5.846 -10.346 -11.218 1.00 19.03 N ATOM 1157 CA SER A 856 7.279 -10.662 -11.006 1.00 18.82 C ATOM 1158 C SER A 856 8.069 -10.503 -12.295 1.00 22.32 C ATOM 1159 O SER A 856 9.188 -9.976 -12.270 1.00 21.48 O ATOM 1160 CB SER A 856 7.463 -12.080 -10.474 1.00 21.69 C ATOM 1161 OG SER A 856 6.525 -12.391 -9.457 1.00 26.66 O ATOM 1162 HG SER A 856 6.678 -13.316 -9.140 1.00 0.00 H ATOM 1163 H SER A 856 5.136 -11.077 -11.011 1.00 0.00 H ATOM 1164 N LEU A 857 7.474 -10.953 -13.422 1.00 19.04 N ATOM 1165 CA LEU A 857 8.045 -10.858 -14.765 1.00 19.32 C ATOM 1166 C LEU A 857 8.276 -9.397 -15.137 1.00 24.05 C ATOM 1167 O LEU A 857 9.365 -9.059 -15.593 1.00 23.21 O ATOM 1168 CB LEU A 857 7.169 -11.578 -15.811 1.00 19.44 C ATOM 1169 CG LEU A 857 7.156 -13.114 -15.779 1.00 24.24 C ATOM 1170 CD1 LEU A 857 6.235 -13.651 -16.851 1.00 23.62 C ATOM 1171 CD2 LEU A 857 8.578 -13.709 -15.988 1.00 28.20 C ATOM 1172 H LEU A 857 6.540 -11.400 -13.327 1.00 0.00 H ATOM 1173 N GLN A 858 7.309 -8.518 -14.814 1.00 22.24 N ATOM 1174 CA GLN A 858 7.427 -7.066 -15.007 1.00 22.22 C ATOM 1175 C GLN A 858 8.598 -6.457 -14.214 1.00 25.49 C ATOM 1176 O GLN A 858 9.270 -5.568 -14.740 1.00 24.05 O ATOM 1177 CB GLN A 858 6.105 -6.349 -14.677 1.00 23.36 C ATOM 1178 CG GLN A 858 5.028 -6.499 -15.749 1.00 31.84 C ATOM 1179 CD GLN A 858 5.477 -5.916 -17.066 1.00 53.79 C ATOM 1180 OE1 GLN A 858 5.830 -4.733 -17.167 1.00 49.46 O ATOM 1181 NE2 GLN A 858 5.532 -6.757 -18.088 1.00 48.22 N ATOM 1182 HE22 GLN A 858 5.227 -7.744 -17.966 1.00 0.00 H ATOM 1183 HE21 GLN A 858 5.880 -6.430 -19.012 1.00 0.00 H ATOM 1184 H GLN A 858 6.428 -8.888 -14.404 1.00 0.00 H ATOM 1185 N PHE A 859 8.849 -6.947 -12.967 1.00 20.46 N ATOM 1186 CA PHE A 859 9.954 -6.488 -12.122 1.00 19.62 C ATOM 1187 C PHE A 859 11.302 -6.804 -12.775 1.00 25.34 C ATOM 1188 O PHE A 859 12.208 -5.981 -12.702 1.00 24.56 O ATOM 1189 CB PHE A 859 9.906 -7.119 -10.714 1.00 20.84 C ATOM 1190 CG PHE A 859 8.877 -6.642 -9.714 1.00 21.38 C ATOM 1191 CD1 PHE A 859 7.739 -5.955 -10.128 1.00 22.50 C ATOM 1192 CD2 PHE A 859 9.011 -6.937 -8.365 1.00 24.16 C ATOM 1193 CE1 PHE A 859 6.783 -5.542 -9.208 1.00 24.97 C ATOM 1194 CE2 PHE A 859 8.042 -6.532 -7.444 1.00 24.87 C ATOM 1195 CZ PHE A 859 6.935 -5.843 -7.870 1.00 23.10 C ATOM 1196 H PHE A 859 8.221 -7.688 -12.595 1.00 0.00 H ATOM 1197 N VAL A 860 11.424 -7.980 -13.416 1.00 25.29 N ATOM 1198 CA VAL A 860 12.622 -8.410 -14.160 1.00 26.92 C ATOM 1199 C VAL A 860 12.812 -7.504 -15.396 1.00 29.64 C ATOM 1200 O VAL A 860 13.932 -7.044 -15.654 1.00 28.20 O ATOM 1201 CB VAL A 860 12.595 -9.933 -14.514 1.00 31.76 C ATOM 1202 CG1 VAL A 860 13.501 -10.266 -15.704 1.00 31.87 C ATOM 1203 CG2 VAL A 860 13.022 -10.751 -13.312 1.00 32.14 C ATOM 1204 H VAL A 860 10.615 -8.633 -13.385 1.00 0.00 H ATOM 1205 N ARG A 861 11.718 -7.249 -16.137 1.00 25.97 N ATOM 1206 CA ARG A 861 11.724 -6.393 -17.324 1.00 26.50 C ATOM 1207 C ARG A 861 12.172 -4.954 -16.968 1.00 29.89 C ATOM 1208 O ARG A 861 13.029 -4.391 -17.644 1.00 29.89 O ATOM 1209 CB ARG A 861 10.340 -6.407 -18.011 1.00 27.90 C ATOM 1210 CG ARG A 861 10.334 -5.708 -19.378 1.00 41.71 C ATOM 1211 CD ARG A 861 8.946 -5.547 -19.970 1.00 53.48 C ATOM 1212 NE ARG A 861 8.088 -4.659 -19.177 1.00 68.48 N ATOM 1213 CZ ARG A 861 8.028 -3.337 -19.316 1.00 85.90 C ATOM 1214 NH1 ARG A 861 8.791 -2.720 -20.210 1.00 72.01 N ATOM 1215 NH2 ARG A 861 7.212 -2.620 -18.555 1.00 76.68 N ATOM 1216 HE ARG A 861 7.482 -5.095 -18.453 1.00 0.00 H ATOM 1217 HH12 ARG A 861 8.739 -1.686 -20.313 1.00 0.00 H ATOM 1218 HH11 ARG A 861 9.441 -3.270 -20.807 1.00 0.00 H ATOM 1219 HH22 ARG A 861 7.169 -1.587 -18.668 1.00 0.00 H ATOM 1220 HH21 ARG A 861 6.615 -3.091 -17.845 1.00 0.00 H ATOM 1221 H ARG A 861 10.818 -7.684 -15.850 1.00 0.00 H ATOM 1222 N LEU A 862 11.640 -4.396 -15.877 1.00 25.35 N ATOM 1223 CA LEU A 862 11.986 -3.041 -15.442 1.00 24.51 C ATOM 1224 C LEU A 862 13.283 -2.966 -14.642 1.00 28.39 C ATOM 1225 O LEU A 862 13.854 -1.886 -14.509 1.00 27.43 O ATOM 1226 CB LEU A 862 10.834 -2.415 -14.638 1.00 24.02 C ATOM 1227 CG LEU A 862 9.489 -2.275 -15.370 1.00 29.22 C ATOM 1228 CD1 LEU A 862 8.363 -2.081 -14.383 1.00 29.45 C ATOM 1229 CD2 LEU A 862 9.508 -1.132 -16.374 1.00 32.11 C ATOM 1230 H LEU A 862 10.956 -4.943 -15.317 1.00 0.00 H ATOM 1231 N GLN A 863 13.732 -4.103 -14.083 1.00 25.41 N ATOM 1232 CA GLN A 863 14.897 -4.186 -13.210 1.00 25.34 C ATOM 1233 C GLN A 863 14.667 -3.239 -12.033 1.00 29.25 C ATOM 1234 O GLN A 863 15.489 -2.375 -11.724 1.00 28.35 O ATOM 1235 CB GLN A 863 16.234 -3.955 -13.970 1.00 26.54 C ATOM 1236 CG GLN A 863 16.654 -5.147 -14.840 1.00 35.90 C ATOM 1237 CD GLN A 863 17.180 -6.311 -14.019 1.00 48.30 C ATOM 1238 OE1 GLN A 863 18.249 -6.249 -13.408 1.00 39.00 O ATOM 1239 NE2 GLN A 863 16.442 -7.404 -13.992 1.00 41.12 N ATOM 1240 HE22 GLN A 863 15.543 -7.437 -14.514 1.00 0.00 H ATOM 1241 HE21 GLN A 863 16.759 -8.232 -13.449 1.00 0.00 H ATOM 1242 H GLN A 863 13.214 -4.982 -14.287 1.00 0.00 H ATOM 1243 N LEU A 864 13.476 -3.391 -11.416 1.00 25.95 N ATOM 1244 CA LEU A 864 13.000 -2.614 -10.278 1.00 25.06 C ATOM 1245 C LEU A 864 14.053 -2.514 -9.174 1.00 27.90 C ATOM 1246 O LEU A 864 14.720 -3.498 -8.871 1.00 26.93 O ATOM 1247 CB LEU A 864 11.678 -3.226 -9.736 1.00 24.69 C ATOM 1248 CG LEU A 864 10.820 -2.340 -8.816 1.00 28.17 C ATOM 1249 CD1 LEU A 864 10.287 -1.122 -9.545 1.00 27.67 C ATOM 1250 CD2 LEU A 864 9.673 -3.112 -8.235 1.00 28.26 C ATOM 1251 H LEU A 864 12.842 -4.128 -11.785 1.00 0.00 H ATOM 1252 N THR A 865 14.215 -1.320 -8.598 1.00 25.20 N ATOM 1253 CA THR A 865 15.173 -1.111 -7.513 1.00 25.22 C ATOM 1254 C THR A 865 14.419 -1.208 -6.193 1.00 30.70 C ATOM 1255 O THR A 865 13.202 -0.975 -6.164 1.00 29.30 O ATOM 1256 CB THR A 865 15.894 0.255 -7.645 1.00 30.96 C ATOM 1257 OG1 THR A 865 15.009 1.305 -7.246 1.00 31.16 O ATOM 1258 CG2 THR A 865 16.470 0.511 -9.056 1.00 28.17 C ATOM 1259 HG1 THR A 865 14.207 1.298 -7.827 1.00 0.00 H ATOM 1260 H THR A 865 13.644 -0.517 -8.930 1.00 0.00 H ATOM 1261 N PHE A 866 15.141 -1.481 -5.100 1.00 28.43 N ATOM 1262 CA PHE A 866 14.563 -1.569 -3.763 1.00 28.31 C ATOM 1263 C PHE A 866 13.876 -0.284 -3.353 1.00 31.29 C ATOM 1264 O PHE A 866 12.786 -0.338 -2.786 1.00 30.15 O ATOM 1265 CB PHE A 866 15.616 -1.992 -2.732 1.00 30.39 C ATOM 1266 CG PHE A 866 15.089 -2.053 -1.319 1.00 32.33 C ATOM 1267 CD1 PHE A 866 14.366 -3.154 -0.876 1.00 34.33 C ATOM 1268 CD2 PHE A 866 15.307 -1.003 -0.431 1.00 36.25 C ATOM 1269 CE1 PHE A 866 13.871 -3.203 0.430 1.00 37.74 C ATOM 1270 CE2 PHE A 866 14.807 -1.052 0.872 1.00 37.12 C ATOM 1271 CZ PHE A 866 14.100 -2.156 1.294 1.00 35.94 C ATOM 1272 H PHE A 866 16.163 -1.638 -5.209 1.00 0.00 H ATOM 1273 N GLU A 867 14.514 0.872 -3.640 1.00 27.68 N ATOM 1274 CA GLU A 867 13.996 2.208 -3.328 1.00 26.72 C ATOM 1275 C GLU A 867 12.659 2.451 -4.020 1.00 27.74 C ATOM 1276 O GLU A 867 11.707 2.880 -3.362 1.00 25.70 O ATOM 1277 CB GLU A 867 15.027 3.298 -3.676 1.00 28.89 C ATOM 1278 CG GLU A 867 16.327 3.175 -2.888 1.00 47.79 C ATOM 1279 CD GLU A 867 17.417 4.203 -3.150 1.00 90.00 C ATOM 1280 OE1 GLU A 867 17.393 4.862 -4.216 1.00 85.89 O ATOM 1281 OE2 GLU A 867 18.327 4.315 -2.296 1.00 96.83 O ATOM 1282 H GLU A 867 15.437 0.810 -4.115 1.00 0.00 H ATOM 1283 N GLU A 868 12.574 2.120 -5.331 1.00 23.19 N ATOM 1284 CA GLU A 868 11.357 2.242 -6.136 1.00 22.14 C ATOM 1285 C GLU A 868 10.275 1.354 -5.538 1.00 25.28 C ATOM 1286 O GLU A 868 9.158 1.813 -5.322 1.00 25.04 O ATOM 1287 CB GLU A 868 11.625 1.811 -7.587 1.00 23.18 C ATOM 1288 CG GLU A 868 12.331 2.854 -8.434 1.00 30.49 C ATOM 1289 CD GLU A 868 12.836 2.347 -9.772 1.00 35.18 C ATOM 1290 OE1 GLU A 868 12.996 1.118 -9.952 1.00 23.41 O ATOM 1291 OE2 GLU A 868 13.101 3.202 -10.641 1.00 25.20 O ATOM 1292 H GLU A 868 13.430 1.755 -5.796 1.00 0.00 H ATOM 1293 N TYR A 869 10.635 0.098 -5.219 1.00 21.72 N ATOM 1294 CA TYR A 869 9.756 -0.878 -4.596 1.00 20.74 C ATOM 1295 C TYR A 869 9.126 -0.341 -3.292 1.00 22.69 C ATOM 1296 O TYR A 869 7.903 -0.390 -3.166 1.00 21.40 O ATOM 1297 CB TYR A 869 10.505 -2.216 -4.379 1.00 21.83 C ATOM 1298 CG TYR A 869 9.827 -3.157 -3.405 1.00 21.25 C ATOM 1299 CD1 TYR A 869 8.667 -3.842 -3.759 1.00 22.40 C ATOM 1300 CD2 TYR A 869 10.335 -3.351 -2.122 1.00 21.58 C ATOM 1301 CE1 TYR A 869 8.009 -4.671 -2.853 1.00 22.05 C ATOM 1302 CE2 TYR A 869 9.704 -4.211 -1.217 1.00 22.43 C ATOM 1303 CZ TYR A 869 8.537 -4.865 -1.589 1.00 28.93 C ATOM 1304 OH TYR A 869 7.890 -5.718 -0.726 1.00 29.39 O ATOM 1305 HH TYR A 869 7.624 -5.222 0.089 1.00 0.00 H ATOM 1306 H TYR A 869 11.610 -0.195 -5.433 1.00 0.00 H ATOM 1307 N THR A 870 9.937 0.203 -2.356 1.00 20.11 N ATOM 1308 CA THR A 870 9.437 0.730 -1.062 1.00 21.02 C ATOM 1309 C THR A 870 8.431 1.873 -1.197 1.00 27.00 C ATOM 1310 O THR A 870 7.482 1.922 -0.408 1.00 27.16 O ATOM 1311 CB THR A 870 10.554 1.125 -0.107 1.00 28.60 C ATOM 1312 OG1 THR A 870 11.357 2.130 -0.712 1.00 32.00 O ATOM 1313 CG2 THR A 870 11.401 -0.047 0.324 1.00 27.34 C ATOM 1314 HG1 THR A 870 11.747 1.778 -1.551 1.00 0.00 H ATOM 1315 H THR A 870 10.957 0.254 -2.552 1.00 0.00 H ATOM 1316 N ILE A 871 8.625 2.791 -2.178 1.00 24.37 N ATOM 1317 CA ILE A 871 7.670 3.893 -2.402 1.00 23.33 C ATOM 1318 C ILE A 871 6.390 3.349 -3.038 1.00 22.57 C ATOM 1319 O ILE A 871 5.304 3.751 -2.637 1.00 21.32 O ATOM 1320 CB ILE A 871 8.286 5.099 -3.173 1.00 26.96 C ATOM 1321 CG1 ILE A 871 9.216 5.882 -2.258 1.00 28.25 C ATOM 1322 CG2 ILE A 871 7.216 6.062 -3.747 1.00 28.37 C ATOM 1323 CD1 ILE A 871 10.559 5.818 -2.656 1.00 35.03 C ATOM 1324 H ILE A 871 9.466 2.716 -2.785 1.00 0.00 H ATOM 1325 N MET A 872 6.525 2.443 -4.023 1.00 17.56 N ATOM 1326 CA MET A 872 5.394 1.802 -4.695 1.00 17.20 C ATOM 1327 C MET A 872 4.495 1.043 -3.699 1.00 21.19 C ATOM 1328 O MET A 872 3.267 1.101 -3.802 1.00 20.59 O ATOM 1329 CB MET A 872 5.873 0.900 -5.839 1.00 19.23 C ATOM 1330 CG MET A 872 6.364 1.681 -7.053 1.00 21.91 C ATOM 1331 SD MET A 872 7.115 0.621 -8.307 1.00 26.30 S ATOM 1332 CE MET A 872 5.627 0.007 -9.144 1.00 22.68 C ATOM 1333 H MET A 872 7.486 2.184 -4.324 1.00 0.00 H ATOM 1334 N LYS A 873 5.109 0.417 -2.690 1.00 19.35 N ATOM 1335 CA LYS A 873 4.425 -0.302 -1.609 1.00 19.89 C ATOM 1336 C LYS A 873 3.555 0.674 -0.798 1.00 23.31 C ATOM 1337 O LYS A 873 2.398 0.380 -0.530 1.00 21.56 O ATOM 1338 CB LYS A 873 5.470 -1.005 -0.720 1.00 22.70 C ATOM 1339 CG LYS A 873 4.934 -2.142 0.137 1.00 37.13 C ATOM 1340 CD LYS A 873 5.970 -3.244 0.346 1.00 47.90 C ATOM 1341 CE LYS A 873 7.230 -2.784 1.054 1.00 53.92 C ATOM 1342 NZ LYS A 873 7.208 -3.059 2.513 1.00 56.83 N ATOM 1343 HZ1 LYS A 873 6.403 -2.564 2.946 1.00 0.00 H ATOM 1344 HZ2 LYS A 873 7.112 -4.083 2.670 1.00 0.00 H ATOM 1345 HZ3 LYS A 873 8.094 -2.723 2.941 1.00 0.00 H ATOM 1346 H LYS A 873 6.149 0.441 -2.670 1.00 0.00 H ATOM 1347 N VAL A 874 4.086 1.869 -0.484 1.00 21.83 N ATOM 1348 CA VAL A 874 3.342 2.918 0.229 1.00 20.84 C ATOM 1349 C VAL A 874 2.169 3.357 -0.640 1.00 23.11 C ATOM 1350 O VAL A 874 1.044 3.449 -0.136 1.00 20.97 O ATOM 1351 CB VAL A 874 4.232 4.109 0.682 1.00 25.34 C ATOM 1352 CG1 VAL A 874 3.414 5.128 1.466 1.00 25.98 C ATOM 1353 CG2 VAL A 874 5.396 3.628 1.535 1.00 25.08 C ATOM 1354 H VAL A 874 5.071 2.061 -0.759 1.00 0.00 H ATOM 1355 N LEU A 875 2.411 3.560 -1.967 1.00 19.49 N ATOM 1356 CA LEU A 875 1.356 3.948 -2.917 1.00 18.11 C ATOM 1357 C LEU A 875 0.242 2.882 -2.991 1.00 21.33 C ATOM 1358 O LEU A 875 -0.947 3.237 -3.022 1.00 21.32 O ATOM 1359 CB LEU A 875 1.944 4.329 -4.301 1.00 17.83 C ATOM 1360 CG LEU A 875 2.704 5.702 -4.317 1.00 20.60 C ATOM 1361 CD1 LEU A 875 3.446 5.939 -5.607 1.00 19.16 C ATOM 1362 CD2 LEU A 875 1.775 6.856 -4.049 1.00 22.53 C ATOM 1363 H LEU A 875 3.381 3.436 -2.322 1.00 0.00 H ATOM 1364 N LEU A 876 0.616 1.589 -2.898 1.00 17.76 N ATOM 1365 CA LEU A 876 -0.350 0.494 -2.820 1.00 18.07 C ATOM 1366 C LEU A 876 -1.154 0.567 -1.532 1.00 22.00 C ATOM 1367 O LEU A 876 -2.361 0.370 -1.590 1.00 20.68 O ATOM 1368 CB LEU A 876 0.296 -0.888 -2.966 1.00 17.59 C ATOM 1369 CG LEU A 876 0.823 -1.241 -4.353 1.00 21.11 C ATOM 1370 CD1 LEU A 876 1.407 -2.614 -4.330 1.00 19.94 C ATOM 1371 CD2 LEU A 876 -0.261 -1.119 -5.450 1.00 21.68 C ATOM 1372 H LEU A 876 1.631 1.362 -2.881 1.00 0.00 H ATOM 1373 N LEU A 877 -0.506 0.876 -0.373 1.00 19.23 N ATOM 1374 CA LEU A 877 -1.230 1.066 0.905 1.00 18.83 C ATOM 1375 C LEU A 877 -2.318 2.167 0.750 1.00 23.16 C ATOM 1376 O LEU A 877 -3.401 2.058 1.344 1.00 20.67 O ATOM 1377 CB LEU A 877 -0.246 1.426 2.049 1.00 18.61 C ATOM 1378 CG LEU A 877 -0.809 1.828 3.452 1.00 23.64 C ATOM 1379 CD1 LEU A 877 -1.582 0.700 4.117 1.00 22.37 C ATOM 1380 CD2 LEU A 877 0.313 2.213 4.375 1.00 26.82 C ATOM 1381 H LEU A 877 0.529 0.982 -0.387 1.00 0.00 H ATOM 1382 N LEU A 878 -2.031 3.217 -0.075 1.00 20.03 N ATOM 1383 CA LEU A 878 -2.972 4.329 -0.295 1.00 19.68 C ATOM 1384 C LEU A 878 -3.656 4.265 -1.674 1.00 24.49 C ATOM 1385 O LEU A 878 -3.952 5.306 -2.259 1.00 23.93 O ATOM 1386 CB LEU A 878 -2.229 5.677 -0.132 1.00 19.41 C ATOM 1387 CG LEU A 878 -1.180 5.784 0.974 1.00 23.25 C ATOM 1388 CD1 LEU A 878 -0.283 6.992 0.747 1.00 23.15 C ATOM 1389 CD2 LEU A 878 -1.822 5.806 2.382 1.00 23.48 C ATOM 1390 H LEU A 878 -1.114 3.232 -0.566 1.00 0.00 H ATOM 1391 N SER A 879 -3.919 3.044 -2.187 1.00 21.18 N ATOM 1392 CA SER A 879 -4.477 2.858 -3.525 1.00 20.42 C ATOM 1393 C SER A 879 -6.004 2.648 -3.574 1.00 22.23 C ATOM 1394 O SER A 879 -6.562 2.692 -4.669 1.00 21.41 O ATOM 1395 CB SER A 879 -3.759 1.720 -4.241 1.00 23.91 C ATOM 1396 OG SER A 879 -4.079 0.475 -3.633 1.00 34.68 O ATOM 1397 HG SER A 879 -3.797 0.490 -2.684 1.00 0.00 H ATOM 1398 H SER A 879 -3.717 2.204 -1.608 1.00 0.00 H ATOM 1399 N THR A 880 -6.663 2.391 -2.427 1.00 19.38 N ATOM 1400 CA THR A 880 -8.134 2.175 -2.353 1.00 20.95 C ATOM 1401 C THR A 880 -8.723 2.888 -1.140 1.00 27.84 C ATOM 1402 O THR A 880 -8.205 2.756 -0.029 1.00 30.15 O ATOM 1403 CB THR A 880 -8.467 0.659 -2.316 1.00 30.13 C ATOM 1404 OG1 THR A 880 -7.867 0.021 -3.442 1.00 29.87 O ATOM 1405 CG2 THR A 880 -9.983 0.363 -2.287 1.00 29.58 C ATOM 1406 HG1 THR A 880 -6.886 0.148 -3.408 1.00 0.00 H ATOM 1407 H THR A 880 -6.114 2.341 -1.545 1.00 0.00 H ATOM 1408 N ILE A 881 -9.829 3.606 -1.337 1.00 24.02 N ATOM 1409 CA ILE A 881 -10.496 4.337 -0.246 1.00 22.99 C ATOM 1410 C ILE A 881 -11.996 4.055 -0.264 1.00 25.57 C ATOM 1411 O ILE A 881 -12.476 3.615 -1.315 1.00 24.09 O ATOM 1412 CB ILE A 881 -10.179 5.878 -0.348 1.00 25.53 C ATOM 1413 CG1 ILE A 881 -10.803 6.538 -1.621 1.00 25.67 C ATOM 1414 CG2 ILE A 881 -8.660 6.120 -0.246 1.00 25.23 C ATOM 1415 CD1 ILE A 881 -10.701 8.123 -1.732 1.00 28.48 C ATOM 1416 H ILE A 881 -10.235 3.651 -2.294 1.00 0.00 H ATOM 1417 N PRO A 882 -12.779 4.338 0.817 1.00 22.54 N ATOM 1418 CA PRO A 882 -14.245 4.151 0.725 1.00 23.49 C ATOM 1419 C PRO A 882 -14.848 5.081 -0.334 1.00 30.36 C ATOM 1420 O PRO A 882 -14.272 6.130 -0.612 1.00 29.54 O ATOM 1421 CB PRO A 882 -14.748 4.540 2.123 1.00 24.82 C ATOM 1422 CG PRO A 882 -13.550 4.440 3.015 1.00 28.78 C ATOM 1423 CD PRO A 882 -12.397 4.852 2.146 1.00 24.27 C ATOM 1424 N LYS A 883 -16.003 4.710 -0.918 1.00 30.38 N ATOM 1425 CA LYS A 883 -16.692 5.510 -1.942 1.00 31.86 C ATOM 1426 C LYS A 883 -16.958 6.957 -1.507 1.00 37.57 C ATOM 1427 O LYS A 883 -16.817 7.876 -2.316 1.00 37.05 O ATOM 1428 CB LYS A 883 -17.995 4.845 -2.391 1.00 34.70 C ATOM 1429 CG LYS A 883 -18.125 4.824 -3.907 1.00 52.71 C ATOM 1430 CD LYS A 883 -19.526 4.437 -4.370 1.00 63.65 C ATOM 1431 CE LYS A 883 -20.301 5.619 -4.910 1.00 71.75 C ATOM 1432 NZ LYS A 883 -19.740 6.120 -6.197 1.00 78.70 N ATOM 1433 HZ1 LYS A 883 -18.754 6.419 -6.051 1.00 0.00 H ATOM 1434 HZ2 LYS A 883 -19.772 5.361 -6.907 1.00 0.00 H ATOM 1435 HZ3 LYS A 883 -20.303 6.929 -6.528 1.00 0.00 H ATOM 1436 H LYS A 883 -16.432 3.808 -0.629 1.00 0.00 H ATOM 1437 N ASP A 884 -17.287 7.152 -0.218 1.00 35.06 N ATOM 1438 CA ASP A 884 -17.567 8.464 0.359 1.00 35.73 C ATOM 1439 C ASP A 884 -16.335 9.102 1.016 1.00 38.50 C ATOM 1440 O ASP A 884 -16.451 10.157 1.637 1.00 39.86 O ATOM 1441 CB ASP A 884 -18.750 8.363 1.343 1.00 38.78 C ATOM 1442 CG ASP A 884 -20.083 7.975 0.722 1.00 55.90 C ATOM 1443 OD1 ASP A 884 -20.183 7.963 -0.539 1.00 56.53 O ATOM 1444 OD2 ASP A 884 -21.039 7.719 1.487 1.00 66.54 O ATOM 1445 H ASP A 884 -17.345 6.321 0.404 1.00 0.00 H ATOM 1446 N GLY A 885 -15.172 8.479 0.837 1.00 32.74 N ATOM 1447 CA GLY A 885 -13.908 8.962 1.372 1.00 31.49 C ATOM 1448 C GLY A 885 -13.647 8.584 2.818 1.00 33.69 C ATOM 1449 O GLY A 885 -14.500 8.014 3.500 1.00 31.67 O ATOM 1450 H GLY A 885 -15.167 7.598 0.284 1.00 0.00 H ATOM 1451 N LEU A 886 -12.453 8.929 3.291 1.00 29.89 N ATOM 1452 CA LEU A 886 -12.002 8.639 4.638 1.00 28.73 C ATOM 1453 C LEU A 886 -12.455 9.734 5.607 1.00 33.43 C ATOM 1454 O LEU A 886 -12.993 10.744 5.154 1.00 32.68 O ATOM 1455 CB LEU A 886 -10.462 8.529 4.613 1.00 28.15 C ATOM 1456 CG LEU A 886 -9.879 7.337 3.837 1.00 30.53 C ATOM 1457 CD1 LEU A 886 -8.467 7.624 3.405 1.00 30.10 C ATOM 1458 CD2 LEU A 886 -9.936 6.076 4.648 1.00 29.64 C ATOM 1459 H LEU A 886 -11.804 9.437 2.657 1.00 0.00 H ATOM 1460 N LYS A 887 -12.230 9.539 6.936 1.00 30.16 N ATOM 1461 CA LYS A 887 -12.546 10.528 7.970 1.00 30.11 C ATOM 1462 C LYS A 887 -11.706 11.801 7.719 1.00 32.31 C ATOM 1463 O LYS A 887 -12.264 12.891 7.702 1.00 31.30 O ATOM 1464 CB LYS A 887 -12.277 9.956 9.374 1.00 33.91 C ATOM 1465 CG LYS A 887 -13.082 10.649 10.471 1.00 52.13 C ATOM 1466 CD LYS A 887 -12.563 10.305 11.856 1.00 63.81 C ATOM 1467 CE LYS A 887 -13.440 10.880 12.939 1.00 79.08 C ATOM 1468 NZ LYS A 887 -12.837 10.697 14.287 1.00 91.29 N ATOM 1469 HZ1 LYS A 887 -12.708 9.682 14.473 1.00 0.00 H ATOM 1470 HZ2 LYS A 887 -11.915 11.177 14.321 1.00 0.00 H ATOM 1471 HZ3 LYS A 887 -13.468 11.105 15.006 1.00 0.00 H ATOM 1472 H LYS A 887 -11.810 8.636 7.234 1.00 0.00 H ATOM 1473 N SER A 888 -10.380 11.646 7.470 1.00 28.18 N ATOM 1474 CA SER A 888 -9.463 12.743 7.132 1.00 27.12 C ATOM 1475 C SER A 888 -9.018 12.637 5.659 1.00 29.63 C ATOM 1476 O SER A 888 -7.857 12.336 5.377 1.00 29.17 O ATOM 1477 CB SER A 888 -8.255 12.759 8.061 1.00 30.07 C ATOM 1478 OG SER A 888 -8.652 12.986 9.401 1.00 42.99 O ATOM 1479 HG SER A 888 -7.852 12.992 9.984 1.00 0.00 H ATOM 1480 H SER A 888 -9.987 10.685 7.522 1.00 0.00 H ATOM 1481 N GLN A 889 -9.950 12.891 4.725 1.00 26.06 N ATOM 1482 CA GLN A 889 -9.704 12.810 3.277 1.00 26.16 C ATOM 1483 C GLN A 889 -8.603 13.757 2.787 1.00 30.83 C ATOM 1484 O GLN A 889 -7.800 13.358 1.939 1.00 31.11 O ATOM 1485 CB GLN A 889 -11.013 13.003 2.477 1.00 27.13 C ATOM 1486 CG GLN A 889 -10.898 12.768 0.959 1.00 29.45 C ATOM 1487 CD GLN A 889 -10.525 11.343 0.571 1.00 36.37 C ATOM 1488 OE1 GLN A 889 -10.825 10.372 1.261 1.00 27.99 O ATOM 1489 NE2 GLN A 889 -9.843 11.191 -0.549 1.00 25.87 N ATOM 1490 HE22 GLN A 889 -9.595 12.022 -1.124 1.00 0.00 H ATOM 1491 HE21 GLN A 889 -9.553 10.241 -0.856 1.00 0.00 H ATOM 1492 H GLN A 889 -10.902 13.161 5.045 1.00 0.00 H ATOM 1493 N ALA A 890 -8.562 14.996 3.318 1.00 26.86 N ATOM 1494 CA ALA A 890 -7.569 16.003 2.941 1.00 26.23 C ATOM 1495 C ALA A 890 -6.143 15.580 3.352 1.00 30.66 C ATOM 1496 O ALA A 890 -5.216 15.669 2.543 1.00 30.01 O ATOM 1497 CB ALA A 890 -7.926 17.350 3.567 1.00 27.07 C ATOM 1498 H ALA A 890 -9.273 15.249 4.033 1.00 0.00 H ATOM 1499 N ALA A 891 -5.989 15.080 4.604 1.00 26.35 N ATOM 1500 CA ALA A 891 -4.736 14.591 5.164 1.00 24.88 C ATOM 1501 C ALA A 891 -4.220 13.429 4.301 1.00 27.87 C ATOM 1502 O ALA A 891 -3.014 13.353 4.004 1.00 29.11 O ATOM 1503 CB ALA A 891 -4.966 14.133 6.595 1.00 25.25 C ATOM 1504 H ALA A 891 -6.832 15.043 5.212 1.00 0.00 H ATOM 1505 N PHE A 892 -5.152 12.554 3.868 1.00 21.78 N ATOM 1506 CA PHE A 892 -4.894 11.416 2.989 1.00 20.70 C ATOM 1507 C PHE A 892 -4.338 11.906 1.663 1.00 25.38 C ATOM 1508 O PHE A 892 -3.236 11.529 1.302 1.00 25.42 O ATOM 1509 CB PHE A 892 -6.169 10.570 2.766 1.00 21.03 C ATOM 1510 CG PHE A 892 -6.012 9.546 1.661 1.00 21.04 C ATOM 1511 CD1 PHE A 892 -5.352 8.343 1.893 1.00 22.00 C ATOM 1512 CD2 PHE A 892 -6.489 9.802 0.378 1.00 22.54 C ATOM 1513 CE1 PHE A 892 -5.178 7.411 0.864 1.00 23.50 C ATOM 1514 CE2 PHE A 892 -6.291 8.882 -0.656 1.00 22.53 C ATOM 1515 CZ PHE A 892 -5.637 7.694 -0.407 1.00 20.67 C ATOM 1516 H PHE A 892 -6.131 12.702 4.185 1.00 0.00 H ATOM 1517 N GLU A 893 -5.074 12.780 0.971 1.00 24.26 N ATOM 1518 CA GLU A 893 -4.666 13.328 -0.331 1.00 24.80 C ATOM 1519 C GLU A 893 -3.300 14.012 -0.293 1.00 30.09 C ATOM 1520 O GLU A 893 -2.523 13.859 -1.235 1.00 28.28 O ATOM 1521 CB GLU A 893 -5.746 14.241 -0.901 1.00 25.55 C ATOM 1522 CG GLU A 893 -6.759 13.453 -1.714 1.00 36.92 C ATOM 1523 CD GLU A 893 -8.209 13.900 -1.659 1.00 62.72 C ATOM 1524 OE1 GLU A 893 -8.512 14.894 -0.961 1.00 67.71 O ATOM 1525 OE2 GLU A 893 -9.050 13.235 -2.304 1.00 54.18 O ATOM 1526 H GLU A 893 -5.982 13.089 1.374 1.00 0.00 H ATOM 1527 N GLU A 894 -2.995 14.718 0.816 1.00 29.06 N ATOM 1528 CA GLU A 894 -1.706 15.380 1.024 1.00 29.92 C ATOM 1529 C GLU A 894 -0.597 14.317 1.095 1.00 33.30 C ATOM 1530 O GLU A 894 0.352 14.395 0.326 1.00 31.74 O ATOM 1531 CB GLU A 894 -1.740 16.258 2.294 1.00 31.92 C ATOM 1532 CG GLU A 894 -0.601 17.264 2.380 1.00 47.84 C ATOM 1533 CD GLU A 894 -0.625 18.148 3.612 1.00 81.21 C ATOM 1534 OE1 GLU A 894 -1.505 19.036 3.696 1.00 83.52 O ATOM 1535 OE2 GLU A 894 0.252 17.965 4.487 1.00 80.89 O ATOM 1536 H GLU A 894 -3.714 14.796 1.563 1.00 0.00 H ATOM 1537 N MET A 895 -0.755 13.294 1.966 1.00 32.02 N ATOM 1538 CA MET A 895 0.204 12.194 2.087 1.00 32.24 C ATOM 1539 C MET A 895 0.442 11.505 0.739 1.00 32.06 C ATOM 1540 O MET A 895 1.591 11.322 0.344 1.00 31.95 O ATOM 1541 CB MET A 895 -0.263 11.158 3.124 1.00 35.98 C ATOM 1542 CG MET A 895 0.746 10.034 3.332 1.00 41.83 C ATOM 1543 SD MET A 895 0.175 8.758 4.469 1.00 48.73 S ATOM 1544 CE MET A 895 1.326 7.443 4.088 1.00 45.51 C ATOM 1545 H MET A 895 -1.596 13.289 2.578 1.00 0.00 H ATOM 1546 N ARG A 896 -0.635 11.128 0.040 1.00 25.95 N ATOM 1547 CA ARG A 896 -0.544 10.415 -1.227 1.00 25.02 C ATOM 1548 C ARG A 896 0.177 11.222 -2.309 1.00 28.72 C ATOM 1549 O ARG A 896 1.050 10.681 -3.000 1.00 28.73 O ATOM 1550 CB ARG A 896 -1.929 9.942 -1.682 1.00 23.28 C ATOM 1551 CG ARG A 896 -1.850 8.909 -2.796 1.00 21.27 C ATOM 1552 CD ARG A 896 -3.221 8.416 -3.196 1.00 23.89 C ATOM 1553 NE ARG A 896 -3.099 7.468 -4.297 1.00 22.34 N ATOM 1554 CZ ARG A 896 -3.267 7.794 -5.566 1.00 33.83 C ATOM 1555 NH1 ARG A 896 -3.616 9.029 -5.900 1.00 32.46 N ATOM 1556 NH2 ARG A 896 -3.112 6.879 -6.517 1.00 22.80 N ATOM 1557 HE ARG A 896 -2.867 6.480 -4.071 1.00 0.00 H ATOM 1558 HH12 ARG A 896 -3.747 9.280 -6.901 1.00 0.00 H ATOM 1559 HH11 ARG A 896 -3.759 9.747 -5.161 1.00 0.00 H ATOM 1560 HH22 ARG A 896 -3.245 7.139 -7.515 1.00 0.00 H ATOM 1561 HH21 ARG A 896 -2.858 5.903 -6.263 1.00 0.00 H ATOM 1562 H ARG A 896 -1.577 11.354 0.418 1.00 0.00 H ATOM 1563 N THR A 897 -0.141 12.517 -2.419 1.00 24.37 N ATOM 1564 CA THR A 897 0.518 13.407 -3.378 1.00 23.84 C ATOM 1565 C THR A 897 2.025 13.455 -3.081 1.00 27.53 C ATOM 1566 O THR A 897 2.824 13.369 -4.005 1.00 26.56 O ATOM 1567 CB THR A 897 -0.170 14.770 -3.404 1.00 29.07 C ATOM 1568 OG1 THR A 897 -1.550 14.582 -3.749 1.00 26.25 O ATOM 1569 CG2 THR A 897 0.492 15.749 -4.361 1.00 25.82 C ATOM 1570 HG1 THR A 897 -2.007 15.460 -3.769 1.00 0.00 H ATOM 1571 H THR A 897 -0.882 12.906 -1.802 1.00 0.00 H ATOM 1572 N ASN A 898 2.398 13.523 -1.789 1.00 25.33 N ATOM 1573 CA ASN A 898 3.793 13.546 -1.342 1.00 25.50 C ATOM 1574 C ASN A 898 4.535 12.287 -1.735 1.00 29.25 C ATOM 1575 O ASN A 898 5.706 12.374 -2.088 1.00 29.58 O ATOM 1576 CB ASN A 898 3.881 13.767 0.168 1.00 27.85 C ATOM 1577 CG ASN A 898 3.610 15.190 0.619 1.00 46.03 C ATOM 1578 OD1 ASN A 898 3.366 15.445 1.802 1.00 44.43 O ATOM 1579 ND2 ASN A 898 3.662 16.153 -0.293 1.00 32.61 N ATOM 1580 HD22 ASN A 898 3.869 15.919 -1.285 1.00 0.00 H ATOM 1581 HD21 ASN A 898 3.496 17.141 -0.016 1.00 0.00 H ATOM 1582 H ASN A 898 1.652 13.561 -1.066 1.00 0.00 H ATOM 1583 N TYR A 899 3.859 11.114 -1.691 1.00 25.56 N ATOM 1584 CA TYR A 899 4.477 9.852 -2.092 1.00 24.29 C ATOM 1585 C TYR A 899 4.549 9.739 -3.625 1.00 23.39 C ATOM 1586 O TYR A 899 5.550 9.241 -4.129 1.00 21.44 O ATOM 1587 CB TYR A 899 3.827 8.645 -1.405 1.00 25.73 C ATOM 1588 CG TYR A 899 4.389 8.418 -0.019 1.00 26.92 C ATOM 1589 CD1 TYR A 899 5.630 7.816 0.161 1.00 29.16 C ATOM 1590 CD2 TYR A 899 3.705 8.851 1.111 1.00 27.29 C ATOM 1591 CE1 TYR A 899 6.171 7.640 1.433 1.00 29.82 C ATOM 1592 CE2 TYR A 899 4.232 8.672 2.389 1.00 27.66 C ATOM 1593 CZ TYR A 899 5.470 8.076 2.542 1.00 33.26 C ATOM 1594 OH TYR A 899 6.005 7.894 3.785 1.00 33.15 O ATOM 1595 HH TYR A 899 6.111 8.772 4.229 1.00 0.00 H ATOM 1596 H TYR A 899 2.872 11.111 -1.363 1.00 0.00 H ATOM 1597 N ILE A 900 3.556 10.287 -4.366 1.00 17.99 N ATOM 1598 CA ILE A 900 3.639 10.332 -5.848 1.00 17.45 C ATOM 1599 C ILE A 900 4.868 11.193 -6.247 1.00 22.90 C ATOM 1600 O ILE A 900 5.698 10.720 -7.021 1.00 21.53 O ATOM 1601 CB ILE A 900 2.332 10.798 -6.542 1.00 19.79 C ATOM 1602 CG1 ILE A 900 1.121 9.865 -6.169 1.00 19.75 C ATOM 1603 CG2 ILE A 900 2.531 10.834 -8.066 1.00 19.83 C ATOM 1604 CD1 ILE A 900 -0.367 10.415 -6.509 1.00 18.03 C ATOM 1605 H ILE A 900 2.721 10.683 -3.889 1.00 0.00 H ATOM 1606 N LYS A 901 5.015 12.412 -5.644 1.00 20.96 N ATOM 1607 CA LYS A 901 6.161 13.319 -5.846 1.00 21.76 C ATOM 1608 C LYS A 901 7.465 12.592 -5.502 1.00 27.02 C ATOM 1609 O LYS A 901 8.421 12.669 -6.270 1.00 27.73 O ATOM 1610 CB LYS A 901 6.050 14.599 -4.979 1.00 22.86 C ATOM 1611 CG LYS A 901 4.926 15.544 -5.367 1.00 24.78 C ATOM 1612 CD LYS A 901 5.099 16.886 -4.655 1.00 33.01 C ATOM 1613 CE LYS A 901 3.781 17.588 -4.462 1.00 51.38 C ATOM 1614 NZ LYS A 901 3.917 18.823 -3.649 1.00 65.52 N ATOM 1615 HZ1 LYS A 901 4.294 18.579 -2.711 1.00 0.00 H ATOM 1616 HZ2 LYS A 901 4.567 19.480 -4.125 1.00 0.00 H ATOM 1617 HZ3 LYS A 901 2.985 19.271 -3.543 1.00 0.00 H ATOM 1618 H LYS A 901 4.264 12.722 -4.995 1.00 0.00 H ATOM 1619 N GLU A 902 7.483 11.866 -4.368 1.00 24.73 N ATOM 1620 CA GLU A 902 8.612 11.057 -3.902 1.00 25.28 C ATOM 1621 C GLU A 902 9.026 10.028 -4.972 1.00 30.37 C ATOM 1622 O GLU A 902 10.221 9.899 -5.243 1.00 31.80 O ATOM 1623 CB GLU A 902 8.247 10.371 -2.577 1.00 26.85 C ATOM 1624 CG GLU A 902 9.399 10.073 -1.640 1.00 43.39 C ATOM 1625 CD GLU A 902 10.434 11.171 -1.483 1.00 66.26 C ATOM 1626 OE1 GLU A 902 10.118 12.221 -0.873 1.00 50.56 O ATOM 1627 OE2 GLU A 902 11.561 10.981 -1.999 1.00 55.16 O ATOM 1628 H GLU A 902 6.628 11.881 -3.776 1.00 0.00 H ATOM 1629 N LEU A 903 8.054 9.368 -5.640 1.00 25.22 N ATOM 1630 CA LEU A 903 8.350 8.402 -6.719 1.00 25.18 C ATOM 1631 C LEU A 903 8.958 9.122 -7.922 1.00 30.46 C ATOM 1632 O LEU A 903 9.908 8.614 -8.518 1.00 30.71 O ATOM 1633 CB LEU A 903 7.095 7.616 -7.161 1.00 24.78 C ATOM 1634 CG LEU A 903 7.322 6.527 -8.232 1.00 28.75 C ATOM 1635 CD1 LEU A 903 8.155 5.353 -7.677 1.00 28.53 C ATOM 1636 CD2 LEU A 903 6.011 6.025 -8.785 1.00 28.58 C ATOM 1637 H LEU A 903 7.061 9.546 -5.386 1.00 0.00 H ATOM 1638 N ARG A 904 8.409 10.300 -8.274 1.00 27.25 N ATOM 1639 CA ARG A 904 8.908 11.124 -9.376 1.00 27.29 C ATOM 1640 C ARG A 904 10.384 11.526 -9.107 1.00 32.09 C ATOM 1641 O ARG A 904 11.214 11.440 -10.015 1.00 30.15 O ATOM 1642 CB ARG A 904 7.969 12.338 -9.603 1.00 25.69 C ATOM 1643 CG ARG A 904 8.530 13.494 -10.452 1.00 33.72 C ATOM 1644 CD ARG A 904 8.736 13.154 -11.916 1.00 29.87 C ATOM 1645 NE ARG A 904 7.472 13.016 -12.637 1.00 26.94 N ATOM 1646 CZ ARG A 904 7.375 12.527 -13.866 1.00 35.63 C ATOM 1647 NH1 ARG A 904 8.460 12.133 -14.516 1.00 21.63 N ATOM 1648 NH2 ARG A 904 6.192 12.436 -14.460 1.00 21.65 N ATOM 1649 HE ARG A 904 6.599 13.318 -12.159 1.00 0.00 H ATOM 1650 HH12 ARG A 904 8.379 11.750 -15.480 1.00 0.00 H ATOM 1651 HH11 ARG A 904 9.393 12.206 -14.063 1.00 0.00 H ATOM 1652 HH22 ARG A 904 6.122 12.052 -15.424 1.00 0.00 H ATOM 1653 HH21 ARG A 904 5.334 12.749 -13.962 1.00 0.00 H ATOM 1654 H ARG A 904 7.588 10.642 -7.735 1.00 0.00 H ATOM 1655 N LYS A 905 10.702 11.898 -7.843 1.00 31.06 N ATOM 1656 CA LYS A 905 12.047 12.265 -7.388 1.00 32.75 C ATOM 1657 C LYS A 905 13.004 11.071 -7.492 1.00 40.24 C ATOM 1658 O LYS A 905 14.150 11.251 -7.891 1.00 39.05 O ATOM 1659 CB LYS A 905 11.997 12.810 -5.950 1.00 35.99 C ATOM 1660 CG LYS A 905 13.229 13.596 -5.521 1.00 54.85 C ATOM 1661 CD LYS A 905 13.001 14.320 -4.202 1.00 67.88 C ATOM 1662 CE LYS A 905 13.571 13.572 -3.020 1.00 83.36 C ATOM 1663 NZ LYS A 905 13.273 14.268 -1.739 1.00 94.98 N ATOM 1664 HZ1 LYS A 905 13.690 15.221 -1.758 1.00 0.00 H ATOM 1665 HZ2 LYS A 905 12.243 14.341 -1.617 1.00 0.00 H ATOM 1666 HZ3 LYS A 905 13.679 13.727 -0.949 1.00 0.00 H ATOM 1667 H LYS A 905 9.934 11.925 -7.143 1.00 0.00 H ATOM 1668 N MET A 906 12.516 9.853 -7.182 1.00 40.90 N ATOM 1669 CA MET A 906 13.289 8.607 -7.265 1.00 43.02 C ATOM 1670 C MET A 906 13.679 8.238 -8.686 1.00 45.54 C ATOM 1671 O MET A 906 14.840 7.913 -8.927 1.00 45.46 O ATOM 1672 CB MET A 906 12.526 7.439 -6.635 1.00 46.97 C ATOM 1673 CG MET A 906 12.467 7.513 -5.146 1.00 53.39 C ATOM 1674 SD MET A 906 13.569 6.331 -4.357 1.00 60.56 S ATOM 1675 CE MET A 906 15.123 7.232 -4.408 1.00 57.22 C ATOM 1676 H MET A 906 11.528 9.792 -6.863 1.00 0.00 H ATOM 1677 N VAL A 907 12.722 8.282 -9.627 1.00 40.31 N ATOM 1678 CA VAL A 907 12.989 7.937 -11.024 1.00 40.04 C ATOM 1679 C VAL A 907 13.925 8.975 -11.693 1.00 45.78 C ATOM 1680 O VAL A 907 14.608 8.617 -12.646 1.00 46.15 O ATOM 1681 CB VAL A 907 11.715 7.629 -11.865 1.00 42.72 C ATOM 1682 CG1 VAL A 907 10.896 6.521 -11.218 1.00 41.99 C ATOM 1683 CG2 VAL A 907 10.860 8.870 -12.092 1.00 42.43 C ATOM 1684 H VAL A 907 11.761 8.570 -9.354 1.00 0.00 H ATOM 1685 N THR A 908 14.006 10.218 -11.150 1.00 43.16 N ATOM 1686 CA THR A 908 14.882 11.289 -11.644 1.00 43.80 C ATOM 1687 C THR A 908 16.277 11.173 -10.947 1.00 49.33 C ATOM 1688 O THR A 908 16.804 12.137 -10.389 1.00 49.72 O ATOM 1689 CB THR A 908 14.156 12.655 -11.530 1.00 53.48 C ATOM 1690 OG1 THR A 908 12.852 12.532 -12.100 1.00 53.15 O ATOM 1691 CG2 THR A 908 14.891 13.789 -12.245 1.00 52.55 C ATOM 1692 HG1 THR A 908 12.343 11.839 -11.610 1.00 0.00 H ATOM 1693 H THR A 908 13.406 10.426 -10.327 1.00 0.00 H ATOM 1694 N LYS A 909 16.863 9.966 -11.000 1.00 47.00 N ATOM 1695 CA LYS A 909 18.145 9.608 -10.387 1.00 84.14 C ATOM 1696 C LYS A 909 18.767 8.432 -11.153 1.00111.81 C ATOM 1697 O LYS A 909 18.092 7.438 -11.424 1.00 73.07 O ATOM 1698 CB LYS A 909 17.927 9.256 -8.897 1.00 86.80 C ATOM 1699 CG LYS A 909 19.157 8.760 -8.149 1.00103.99 C ATOM 1700 CD LYS A 909 18.827 7.506 -7.353 1.00114.93 C ATOM 1701 CE LYS A 909 20.023 6.964 -6.615 1.00126.92 C ATOM 1702 NZ LYS A 909 19.685 5.731 -5.858 1.00135.76 N ATOM 1703 HZ1 LYS A 909 18.940 5.945 -5.165 1.00 0.00 H ATOM 1704 HZ2 LYS A 909 19.347 5.002 -6.518 1.00 0.00 H ATOM 1705 HZ3 LYS A 909 20.532 5.387 -5.363 1.00 0.00 H ATOM 1706 H LYS A 909 16.363 9.219 -11.522 1.00 0.00 H TER 1707 LYS A 909 ATOM 1708 N SER A 914 16.052 11.574 -20.110 1.00 63.90 N ATOM 1709 CA SER A 914 15.314 11.787 -18.866 1.00 63.08 C ATOM 1710 C SER A 914 13.834 12.281 -19.067 1.00 64.30 C ATOM 1711 O SER A 914 13.379 13.111 -18.280 1.00 64.31 O ATOM 1712 CB SER A 914 16.105 12.731 -17.959 1.00 67.77 C ATOM 1713 OG SER A 914 15.527 12.908 -16.676 1.00 79.66 O ATOM 1714 HG SER A 914 14.618 13.287 -16.774 1.00 0.00 H ATOM 1715 HN3 SER A 914 16.098 12.467 -20.641 1.00 0.00 H ATOM 1716 HN2 SER A 914 15.565 10.854 -20.681 1.00 0.00 H ATOM 1717 HN1 SER A 914 17.015 11.250 -19.889 1.00 0.00 H ATOM 1718 N GLY A 915 13.077 11.799 -20.074 1.00 58.42 N ATOM 1719 CA GLY A 915 13.420 10.825 -21.109 1.00 57.11 C ATOM 1720 C GLY A 915 13.174 9.411 -20.636 1.00 58.59 C ATOM 1721 O GLY A 915 12.042 8.913 -20.714 1.00 58.09 O ATOM 1722 H GLY A 915 12.108 12.175 -20.121 1.00 0.00 H ATOM 1723 N GLN A 916 14.249 8.761 -20.126 1.00 52.22 N ATOM 1724 CA GLN A 916 14.185 7.431 -19.529 1.00 49.78 C ATOM 1725 C GLN A 916 13.463 7.562 -18.177 1.00 47.29 C ATOM 1726 O GLN A 916 12.657 6.691 -17.849 1.00 47.40 O ATOM 1727 CB GLN A 916 15.596 6.838 -19.338 1.00 51.40 C ATOM 1728 CG GLN A 916 15.825 5.498 -20.057 1.00 75.14 C ATOM 1729 CD GLN A 916 15.019 4.328 -19.509 1.00100.21 C ATOM 1730 OE1 GLN A 916 15.011 4.035 -18.302 1.00 97.56 O ATOM 1731 NE2 GLN A 916 14.358 3.603 -20.399 1.00 90.33 N ATOM 1732 HE22 GLN A 916 14.379 3.868 -21.404 1.00 0.00 H ATOM 1733 HE21 GLN A 916 13.818 2.769 -20.092 1.00 0.00 H ATOM 1734 H GLN A 916 15.173 9.238 -20.162 1.00 0.00 H ATOM 1735 N SER A 917 13.721 8.670 -17.417 1.00 38.40 N ATOM 1736 CA SER A 917 13.083 8.926 -16.116 1.00 35.90 C ATOM 1737 C SER A 917 11.566 9.186 -16.270 1.00 34.41 C ATOM 1738 O SER A 917 10.770 8.732 -15.445 1.00 31.64 O ATOM 1739 CB SER A 917 13.769 10.073 -15.385 1.00 39.06 C ATOM 1740 OG SER A 917 13.454 11.329 -15.960 1.00 51.34 O ATOM 1741 HG SER A 917 13.750 11.342 -16.905 1.00 0.00 H ATOM 1742 H SER A 917 14.403 9.367 -17.777 1.00 0.00 H ATOM 1743 N TRP A 918 11.180 9.873 -17.359 1.00 28.98 N ATOM 1744 CA TRP A 918 9.783 10.150 -17.708 1.00 27.76 C ATOM 1745 C TRP A 918 9.076 8.847 -18.073 1.00 31.56 C ATOM 1746 O TRP A 918 7.972 8.600 -17.587 1.00 32.22 O ATOM 1747 CB TRP A 918 9.731 11.125 -18.884 1.00 25.50 C ATOM 1748 CG TRP A 918 10.003 12.554 -18.525 1.00 25.78 C ATOM 1749 CD1 TRP A 918 10.399 13.045 -17.316 1.00 28.34 C ATOM 1750 CD2 TRP A 918 9.889 13.680 -19.398 1.00 25.55 C ATOM 1751 NE1 TRP A 918 10.553 14.407 -17.386 1.00 27.47 N ATOM 1752 CE2 TRP A 918 10.229 14.827 -18.650 1.00 29.22 C ATOM 1753 CE3 TRP A 918 9.538 13.833 -20.751 1.00 26.72 C ATOM 1754 CZ2 TRP A 918 10.219 16.111 -19.204 1.00 28.65 C ATOM 1755 CZ3 TRP A 918 9.511 15.109 -21.291 1.00 27.91 C ATOM 1756 CH2 TRP A 918 9.857 16.226 -20.526 1.00 28.43 C ATOM 1757 HE1 TRP A 918 10.865 15.021 -16.607 1.00 0.00 H ATOM 1758 H TRP A 918 11.920 10.231 -17.995 1.00 0.00 H ATOM 1759 N GLN A 919 9.730 7.997 -18.900 1.00 27.09 N ATOM 1760 CA GLN A 919 9.192 6.688 -19.292 1.00 26.90 C ATOM 1761 C GLN A 919 9.064 5.798 -18.043 1.00 29.12 C ATOM 1762 O GLN A 919 8.058 5.113 -17.888 1.00 27.80 O ATOM 1763 CB GLN A 919 10.084 6.032 -20.355 1.00 28.48 C ATOM 1764 CG GLN A 919 9.506 4.763 -20.988 1.00 51.88 C ATOM 1765 CD GLN A 919 10.553 3.959 -21.734 1.00 76.76 C ATOM 1766 OE1 GLN A 919 11.712 3.833 -21.308 1.00 71.60 O ATOM 1767 NE2 GLN A 919 10.157 3.362 -22.855 1.00 69.24 N ATOM 1768 HE22 GLN A 919 9.180 3.483 -23.192 1.00 0.00 H ATOM 1769 HE21 GLN A 919 10.824 2.774 -23.395 1.00 0.00 H ATOM 1770 H GLN A 919 10.656 8.285 -19.275 1.00 0.00 H ATOM 1771 N ARG A 920 10.058 5.865 -17.136 1.00 26.02 N ATOM 1772 CA ARG A 920 10.076 5.094 -15.896 1.00 25.60 C ATOM 1773 C ARG A 920 8.905 5.421 -14.996 1.00 25.55 C ATOM 1774 O ARG A 920 8.256 4.498 -14.509 1.00 25.00 O ATOM 1775 CB ARG A 920 11.397 5.249 -15.137 1.00 26.03 C ATOM 1776 CG ARG A 920 11.568 4.133 -14.119 1.00 29.57 C ATOM 1777 CD ARG A 920 12.927 3.516 -14.211 1.00 35.60 C ATOM 1778 NE ARG A 920 13.064 2.451 -13.231 1.00 29.80 N ATOM 1779 CZ ARG A 920 13.133 1.160 -13.516 1.00 33.05 C ATOM 1780 NH1 ARG A 920 13.101 0.749 -14.778 1.00 18.48 N ATOM 1781 NH2 ARG A 920 13.247 0.269 -12.545 1.00 18.40 N ATOM 1782 HE ARG A 920 13.111 2.724 -12.229 1.00 0.00 H ATOM 1783 HH12 ARG A 920 13.156 -0.266 -14.996 1.00 0.00 H ATOM 1784 HH11 ARG A 920 13.021 1.443 -15.549 1.00 0.00 H ATOM 1785 HH22 ARG A 920 13.301 -0.744 -12.773 1.00 0.00 H ATOM 1786 HH21 ARG A 920 13.283 0.582 -11.554 1.00 0.00 H ATOM 1787 H ARG A 920 10.857 6.502 -17.330 1.00 0.00 H ATOM 1788 N PHE A 921 8.613 6.718 -14.797 1.00 20.39 N ATOM 1789 CA PHE A 921 7.475 7.141 -13.982 1.00 19.04 C ATOM 1790 C PHE A 921 6.184 6.631 -14.605 1.00 23.83 C ATOM 1791 O PHE A 921 5.309 6.138 -13.881 1.00 23.83 O ATOM 1792 CB PHE A 921 7.458 8.675 -13.780 1.00 20.34 C ATOM 1793 CG PHE A 921 6.370 9.129 -12.831 1.00 20.74 C ATOM 1794 CD1 PHE A 921 6.589 9.158 -11.457 1.00 22.39 C ATOM 1795 CD2 PHE A 921 5.114 9.494 -13.310 1.00 21.73 C ATOM 1796 CE1 PHE A 921 5.576 9.569 -10.579 1.00 22.74 C ATOM 1797 CE2 PHE A 921 4.095 9.874 -12.432 1.00 24.30 C ATOM 1798 CZ PHE A 921 4.332 9.901 -11.070 1.00 22.14 C ATOM 1799 H PHE A 921 9.215 7.443 -15.236 1.00 0.00 H ATOM 1800 N TYR A 922 6.073 6.722 -15.948 1.00 21.25 N ATOM 1801 CA TYR A 922 4.914 6.221 -16.685 1.00 21.57 C ATOM 1802 C TYR A 922 4.754 4.693 -16.447 1.00 26.56 C ATOM 1803 O TYR A 922 3.656 4.227 -16.129 1.00 26.40 O ATOM 1804 CB TYR A 922 5.040 6.523 -18.198 1.00 22.77 C ATOM 1805 CG TYR A 922 3.934 5.884 -19.012 1.00 24.30 C ATOM 1806 CD1 TYR A 922 2.678 6.473 -19.100 1.00 25.47 C ATOM 1807 CD2 TYR A 922 4.123 4.657 -19.643 1.00 25.62 C ATOM 1808 CE1 TYR A 922 1.630 5.850 -19.777 1.00 26.77 C ATOM 1809 CE2 TYR A 922 3.082 4.026 -20.326 1.00 24.33 C ATOM 1810 CZ TYR A 922 1.843 4.635 -20.404 1.00 32.37 C ATOM 1811 OH TYR A 922 0.816 4.032 -21.084 1.00 37.26 O ATOM 1812 HH TYR A 922 0.010 4.604 -21.037 1.00 0.00 H ATOM 1813 H TYR A 922 6.846 7.168 -16.481 1.00 0.00 H ATOM 1814 N GLN A 923 5.845 3.931 -16.614 1.00 23.81 N ATOM 1815 CA GLN A 923 5.847 2.472 -16.457 1.00 23.80 C ATOM 1816 C GLN A 923 5.573 2.012 -15.005 1.00 26.78 C ATOM 1817 O GLN A 923 4.827 1.060 -14.800 1.00 27.80 O ATOM 1818 CB GLN A 923 7.141 1.866 -17.014 1.00 25.32 C ATOM 1819 CG GLN A 923 7.220 1.927 -18.548 1.00 39.77 C ATOM 1820 CD GLN A 923 8.561 1.474 -19.089 1.00 66.46 C ATOM 1821 OE1 GLN A 923 8.647 0.531 -19.882 1.00 63.04 O ATOM 1822 NE2 GLN A 923 9.641 2.140 -18.692 1.00 59.65 N ATOM 1823 HE22 GLN A 923 9.547 2.931 -18.024 1.00 0.00 H ATOM 1824 HE21 GLN A 923 10.579 1.870 -19.050 1.00 0.00 H ATOM 1825 H GLN A 923 6.738 4.400 -16.869 1.00 0.00 H ATOM 1826 N LEU A 924 6.163 2.677 -14.013 1.00 21.45 N ATOM 1827 CA LEU A 924 5.945 2.311 -12.609 1.00 20.41 C ATOM 1828 C LEU A 924 4.502 2.596 -12.161 1.00 25.69 C ATOM 1829 O LEU A 924 3.951 1.808 -11.395 1.00 26.59 O ATOM 1830 CB LEU A 924 6.961 3.008 -11.678 1.00 19.56 C ATOM 1831 CG LEU A 924 8.461 2.672 -11.902 1.00 23.28 C ATOM 1832 CD1 LEU A 924 9.286 3.252 -10.822 1.00 23.52 C ATOM 1833 CD2 LEU A 924 8.705 1.157 -11.973 1.00 24.13 C ATOM 1834 H LEU A 924 6.792 3.474 -14.239 1.00 0.00 H ATOM 1835 N THR A 925 3.878 3.688 -12.678 1.00 20.63 N ATOM 1836 CA THR A 925 2.496 4.051 -12.325 1.00 19.72 C ATOM 1837 C THR A 925 1.479 3.190 -13.075 1.00 22.24 C ATOM 1838 O THR A 925 0.386 2.969 -12.561 1.00 22.70 O ATOM 1839 CB THR A 925 2.249 5.562 -12.466 1.00 22.89 C ATOM 1840 OG1 THR A 925 2.546 6.006 -13.795 1.00 22.98 O ATOM 1841 CG2 THR A 925 3.004 6.371 -11.432 1.00 14.98 C ATOM 1842 HG1 THR A 925 3.496 5.818 -14.000 1.00 0.00 H ATOM 1843 H THR A 925 4.397 4.290 -13.349 1.00 0.00 H ATOM 1844 N LYS A 926 1.829 2.706 -14.288 1.00 19.64 N ATOM 1845 CA LYS A 926 0.983 1.797 -15.052 1.00 20.08 C ATOM 1846 C LYS A 926 1.005 0.450 -14.315 1.00 23.93 C ATOM 1847 O LYS A 926 -0.013 -0.245 -14.267 1.00 23.09 O ATOM 1848 CB LYS A 926 1.537 1.579 -16.485 1.00 23.12 C ATOM 1849 CG LYS A 926 1.133 2.616 -17.533 1.00 33.24 C ATOM 1850 CD LYS A 926 -0.370 2.682 -17.795 1.00 43.15 C ATOM 1851 CE LYS A 926 -0.893 1.667 -18.776 1.00 51.09 C ATOM 1852 NZ LYS A 926 -2.368 1.788 -18.897 1.00 59.34 N ATOM 1853 HZ1 LYS A 926 -2.806 1.623 -17.968 1.00 0.00 H ATOM 1854 HZ2 LYS A 926 -2.610 2.743 -19.231 1.00 0.00 H ATOM 1855 HZ3 LYS A 926 -2.718 1.083 -19.577 1.00 0.00 H ATOM 1856 H LYS A 926 2.742 2.995 -14.694 1.00 0.00 H ATOM 1857 N LEU A 927 2.176 0.082 -13.760 1.00 20.45 N ATOM 1858 CA LEU A 927 2.352 -1.167 -13.001 1.00 20.54 C ATOM 1859 C LEU A 927 1.525 -1.135 -11.729 1.00 22.94 C ATOM 1860 O LEU A 927 0.926 -2.144 -11.379 1.00 22.36 O ATOM 1861 CB LEU A 927 3.852 -1.441 -12.701 1.00 21.04 C ATOM 1862 CG LEU A 927 4.214 -2.734 -11.927 1.00 26.13 C ATOM 1863 CD1 LEU A 927 3.732 -3.972 -12.666 1.00 26.81 C ATOM 1864 CD2 LEU A 927 5.731 -2.833 -11.724 1.00 26.42 C ATOM 1865 H LEU A 927 2.996 0.711 -13.873 1.00 0.00 H ATOM 1866 N LEU A 928 1.440 0.035 -11.067 1.00 19.94 N ATOM 1867 CA LEU A 928 0.621 0.221 -9.865 1.00 19.18 C ATOM 1868 C LEU A 928 -0.871 0.001 -10.163 1.00 21.80 C ATOM 1869 O LEU A 928 -1.540 -0.743 -9.440 1.00 20.74 O ATOM 1870 CB LEU A 928 0.880 1.609 -9.218 1.00 19.16 C ATOM 1871 CG LEU A 928 2.245 1.763 -8.499 1.00 22.80 C ATOM 1872 CD1 LEU A 928 2.531 3.204 -8.163 1.00 22.00 C ATOM 1873 CD2 LEU A 928 2.324 0.908 -7.228 1.00 23.40 C ATOM 1874 H LEU A 928 1.982 0.847 -11.426 1.00 0.00 H ATOM 1875 N ASP A 929 -1.367 0.580 -11.263 1.00 18.15 N ATOM 1876 CA ASP A 929 -2.758 0.425 -11.708 1.00 18.39 C ATOM 1877 C ASP A 929 -3.115 -1.007 -12.058 1.00 22.01 C ATOM 1878 O ASP A 929 -4.257 -1.397 -11.878 1.00 22.21 O ATOM 1879 CB ASP A 929 -3.036 1.278 -12.946 1.00 19.84 C ATOM 1880 CG ASP A 929 -3.113 2.765 -12.715 1.00 24.66 C ATOM 1881 OD1 ASP A 929 -3.015 3.196 -11.531 1.00 27.79 O ATOM 1882 OD2 ASP A 929 -3.307 3.501 -13.706 1.00 23.36 O ATOM 1883 H ASP A 929 -0.732 1.173 -11.835 1.00 0.00 H ATOM 1884 N SER A 930 -2.162 -1.760 -12.624 1.00 20.13 N ATOM 1885 CA SER A 930 -2.356 -3.157 -13.022 1.00 20.47 C ATOM 1886 C SER A 930 -2.610 -4.045 -11.782 1.00 23.27 C ATOM 1887 O SER A 930 -3.256 -5.080 -11.908 1.00 24.44 O ATOM 1888 CB SER A 930 -1.163 -3.649 -13.840 1.00 23.82 C ATOM 1889 OG SER A 930 -0.069 -3.984 -13.003 1.00 30.79 O ATOM 1890 HG SER A 930 0.209 -3.185 -12.489 1.00 0.00 H ATOM 1891 H SER A 930 -1.231 -1.328 -12.790 1.00 0.00 H ATOM 1892 N MET A 931 -2.171 -3.599 -10.584 1.00 18.05 N ATOM 1893 CA MET A 931 -2.424 -4.315 -9.338 1.00 16.86 C ATOM 1894 C MET A 931 -3.922 -4.374 -9.005 1.00 20.15 C ATOM 1895 O MET A 931 -4.363 -5.381 -8.460 1.00 19.01 O ATOM 1896 CB MET A 931 -1.606 -3.752 -8.160 1.00 18.38 C ATOM 1897 CG MET A 931 -0.088 -3.968 -8.290 1.00 20.15 C ATOM 1898 SD MET A 931 0.390 -5.725 -8.349 1.00 22.79 S ATOM 1899 CE MET A 931 0.072 -6.243 -6.611 1.00 18.61 C ATOM 1900 H MET A 931 -1.632 -2.710 -10.549 1.00 0.00 H ATOM 1901 N HIS A 932 -4.708 -3.341 -9.376 1.00 16.89 N ATOM 1902 CA HIS A 932 -6.157 -3.343 -9.097 1.00 15.99 C ATOM 1903 C HIS A 932 -6.915 -4.552 -9.725 1.00 22.25 C ATOM 1904 O HIS A 932 -7.671 -5.224 -9.019 1.00 22.10 O ATOM 1905 CB HIS A 932 -6.806 -2.011 -9.481 1.00 15.40 C ATOM 1906 CG HIS A 932 -6.498 -0.885 -8.530 1.00 18.44 C ATOM 1907 ND1 HIS A 932 -6.699 -1.011 -7.160 1.00 19.83 N ATOM 1908 CD2 HIS A 932 -6.100 0.381 -8.792 1.00 20.01 C ATOM 1909 CE1 HIS A 932 -6.388 0.162 -6.636 1.00 19.53 C ATOM 1910 NE2 HIS A 932 -6.049 1.043 -7.578 1.00 20.02 N ATOM 1911 H HIS A 932 -4.284 -2.528 -9.868 1.00 0.00 H ATOM 1912 N ASP A 933 -6.684 -4.838 -11.028 1.00 19.56 N ATOM 1913 CA ASP A 933 -7.320 -5.944 -11.759 1.00 19.35 C ATOM 1914 C ASP A 933 -6.935 -7.291 -11.153 1.00 20.99 C ATOM 1915 O ASP A 933 -7.799 -8.119 -10.908 1.00 19.93 O ATOM 1916 CB ASP A 933 -6.940 -5.888 -13.247 1.00 23.06 C ATOM 1917 CG ASP A 933 -7.172 -4.516 -13.895 1.00 39.19 C ATOM 1918 OD1 ASP A 933 -8.340 -4.216 -14.255 1.00 44.91 O ATOM 1919 OD2 ASP A 933 -6.184 -3.741 -14.027 1.00 39.27 O ATOM 1920 H ASP A 933 -6.013 -4.236 -11.546 1.00 0.00 H ATOM 1921 N LEU A 934 -5.637 -7.481 -10.851 1.00 16.74 N ATOM 1922 CA LEU A 934 -5.107 -8.684 -10.220 1.00 15.16 C ATOM 1923 C LEU A 934 -5.765 -8.951 -8.874 1.00 18.20 C ATOM 1924 O LEU A 934 -6.234 -10.064 -8.647 1.00 17.62 O ATOM 1925 CB LEU A 934 -3.559 -8.594 -10.045 1.00 14.57 C ATOM 1926 CG LEU A 934 -2.898 -9.783 -9.301 1.00 19.06 C ATOM 1927 CD1 LEU A 934 -3.217 -11.149 -9.973 1.00 18.18 C ATOM 1928 CD2 LEU A 934 -1.389 -9.582 -9.165 1.00 21.25 C ATOM 1929 H LEU A 934 -4.968 -6.719 -11.083 1.00 0.00 H ATOM 1930 N VAL A 935 -5.716 -7.956 -7.962 1.00 15.45 N ATOM 1931 CA VAL A 935 -6.237 -8.013 -6.583 1.00 14.82 C ATOM 1932 C VAL A 935 -7.751 -8.298 -6.568 1.00 19.05 C ATOM 1933 O VAL A 935 -8.241 -9.027 -5.695 1.00 18.94 O ATOM 1934 CB VAL A 935 -5.834 -6.703 -5.844 1.00 18.63 C ATOM 1935 CG1 VAL A 935 -6.612 -6.488 -4.541 1.00 18.32 C ATOM 1936 CG2 VAL A 935 -4.330 -6.691 -5.583 1.00 18.03 C ATOM 1937 H VAL A 935 -5.269 -7.066 -8.260 1.00 0.00 H ATOM 1938 N SER A 936 -8.473 -7.778 -7.560 1.00 15.28 N ATOM 1939 CA SER A 936 -9.914 -8.010 -7.695 1.00 15.82 C ATOM 1940 C SER A 936 -10.152 -9.532 -7.870 1.00 20.07 C ATOM 1941 O SER A 936 -10.994 -10.089 -7.180 1.00 19.01 O ATOM 1942 CB SER A 936 -10.453 -7.207 -8.882 1.00 19.73 C ATOM 1943 OG SER A 936 -11.801 -7.523 -9.174 1.00 35.45 O ATOM 1944 HG SER A 936 -11.873 -8.485 -9.395 1.00 0.00 H ATOM 1945 H SER A 936 -7.995 -7.184 -8.267 1.00 0.00 H ATOM 1946 N ASP A 937 -9.356 -10.207 -8.730 1.00 18.99 N ATOM 1947 CA ASP A 937 -9.444 -11.665 -8.957 1.00 18.91 C ATOM 1948 C ASP A 937 -8.988 -12.482 -7.741 1.00 22.88 C ATOM 1949 O ASP A 937 -9.602 -13.500 -7.442 1.00 23.40 O ATOM 1950 CB ASP A 937 -8.651 -12.092 -10.207 1.00 20.85 C ATOM 1951 CG ASP A 937 -9.133 -11.498 -11.519 1.00 28.77 C ATOM 1952 OD1 ASP A 937 -10.344 -11.196 -11.630 1.00 29.70 O ATOM 1953 OD2 ASP A 937 -8.305 -11.346 -12.436 1.00 30.73 O ATOM 1954 H ASP A 937 -8.642 -9.670 -9.262 1.00 0.00 H ATOM 1955 N LEU A 938 -7.934 -12.029 -7.034 1.00 17.43 N ATOM 1956 CA LEU A 938 -7.421 -12.707 -5.843 1.00 15.52 C ATOM 1957 C LEU A 938 -8.474 -12.655 -4.724 1.00 21.50 C ATOM 1958 O LEU A 938 -8.763 -13.682 -4.096 1.00 21.64 O ATOM 1959 CB LEU A 938 -6.119 -12.034 -5.364 1.00 14.35 C ATOM 1960 CG LEU A 938 -4.844 -12.170 -6.231 1.00 14.87 C ATOM 1961 CD1 LEU A 938 -3.735 -11.266 -5.691 1.00 13.97 C ATOM 1962 CD2 LEU A 938 -4.364 -13.597 -6.309 1.00 14.27 C ATOM 1963 H LEU A 938 -7.463 -11.157 -7.350 1.00 0.00 H ATOM 1964 N LEU A 939 -9.058 -11.468 -4.494 1.00 18.00 N ATOM 1965 CA LEU A 939 -10.078 -11.276 -3.464 1.00 18.15 C ATOM 1966 C LEU A 939 -11.330 -12.056 -3.736 1.00 21.86 C ATOM 1967 O LEU A 939 -11.981 -12.471 -2.785 1.00 22.11 O ATOM 1968 CB LEU A 939 -10.437 -9.807 -3.276 1.00 17.85 C ATOM 1969 CG LEU A 939 -9.373 -8.940 -2.628 1.00 21.00 C ATOM 1970 CD1 LEU A 939 -9.777 -7.463 -2.723 1.00 20.15 C ATOM 1971 CD2 LEU A 939 -9.063 -9.405 -1.201 1.00 21.43 C ATOM 1972 H LEU A 939 -8.773 -10.652 -5.072 1.00 0.00 H ATOM 1973 N GLU A 940 -11.671 -12.265 -5.019 1.00 18.71 N ATOM 1974 CA GLU A 940 -12.835 -13.064 -5.383 1.00 20.51 C ATOM 1975 C GLU A 940 -12.679 -14.521 -4.870 1.00 24.51 C ATOM 1976 O GLU A 940 -13.630 -15.098 -4.328 1.00 23.07 O ATOM 1977 CB GLU A 940 -13.028 -13.060 -6.903 1.00 22.44 C ATOM 1978 CG GLU A 940 -14.484 -13.224 -7.306 1.00 39.62 C ATOM 1979 CD GLU A 940 -14.714 -13.962 -8.609 1.00 70.26 C ATOM 1980 OE1 GLU A 940 -14.152 -13.538 -9.646 1.00 66.51 O ATOM 1981 OE2 GLU A 940 -15.449 -14.976 -8.588 1.00 70.70 O ATOM 1982 H GLU A 940 -11.089 -11.846 -5.772 1.00 0.00 H ATOM 1983 N PHE A 941 -11.475 -15.100 -5.051 1.00 20.61 N ATOM 1984 CA PHE A 941 -11.165 -16.464 -4.641 1.00 21.08 C ATOM 1985 C PHE A 941 -10.981 -16.490 -3.140 1.00 23.93 C ATOM 1986 O PHE A 941 -11.320 -17.487 -2.492 1.00 23.98 O ATOM 1987 CB PHE A 941 -9.866 -16.944 -5.324 1.00 23.49 C ATOM 1988 CG PHE A 941 -9.590 -18.431 -5.234 1.00 25.98 C ATOM 1989 CD1 PHE A 941 -8.930 -18.970 -4.135 1.00 28.29 C ATOM 1990 CD2 PHE A 941 -9.947 -19.282 -6.268 1.00 30.19 C ATOM 1991 CE1 PHE A 941 -8.648 -20.337 -4.066 1.00 31.72 C ATOM 1992 CE2 PHE A 941 -9.653 -20.649 -6.202 1.00 31.87 C ATOM 1993 CZ PHE A 941 -9.018 -21.169 -5.095 1.00 30.27 C ATOM 1994 H PHE A 941 -10.726 -14.542 -5.509 1.00 0.00 H ATOM 1995 N CYS A 942 -10.421 -15.401 -2.584 1.00 17.96 N ATOM 1996 CA CYS A 942 -10.198 -15.309 -1.152 1.00 17.35 C ATOM 1997 C CYS A 942 -11.544 -15.313 -0.432 1.00 21.95 C ATOM 1998 O CYS A 942 -11.740 -16.109 0.491 1.00 21.63 O ATOM 1999 CB CYS A 942 -9.360 -14.084 -0.791 1.00 17.22 C ATOM 2000 SG CYS A 942 -9.111 -13.865 0.993 1.00 21.11 S ATOM 2001 H CYS A 942 -10.141 -14.606 -3.194 1.00 0.00 H ATOM 2002 N PHE A 943 -12.480 -14.474 -0.895 1.00 18.67 N ATOM 2003 CA PHE A 943 -13.819 -14.371 -0.290 1.00 18.57 C ATOM 2004 C PHE A 943 -14.604 -15.670 -0.366 1.00 21.44 C ATOM 2005 O PHE A 943 -15.270 -16.037 0.597 1.00 21.35 O ATOM 2006 CB PHE A 943 -14.609 -13.191 -0.866 1.00 19.87 C ATOM 2007 CG PHE A 943 -14.038 -11.816 -0.579 1.00 20.58 C ATOM 2008 CD1 PHE A 943 -13.072 -11.632 0.409 1.00 22.70 C ATOM 2009 CD2 PHE A 943 -14.447 -10.709 -1.318 1.00 21.77 C ATOM 2010 CE1 PHE A 943 -12.526 -10.367 0.650 1.00 23.41 C ATOM 2011 CE2 PHE A 943 -13.898 -9.448 -1.082 1.00 24.46 C ATOM 2012 CZ PHE A 943 -12.942 -9.283 -0.101 1.00 23.01 C ATOM 2013 H PHE A 943 -12.253 -13.873 -1.712 1.00 0.00 H ATOM 2014 N TYR A 944 -14.462 -16.398 -1.479 1.00 17.57 N ATOM 2015 CA TYR A 944 -15.098 -17.683 -1.682 1.00 16.88 C ATOM 2016 C TYR A 944 -14.565 -18.714 -0.677 1.00 18.68 C ATOM 2017 O TYR A 944 -15.367 -19.369 0.001 1.00 16.83 O ATOM 2018 CB TYR A 944 -14.935 -18.146 -3.145 1.00 19.44 C ATOM 2019 CG TYR A 944 -15.209 -19.620 -3.324 1.00 23.02 C ATOM 2020 CD1 TYR A 944 -16.512 -20.113 -3.311 1.00 25.29 C ATOM 2021 CD2 TYR A 944 -14.166 -20.534 -3.415 1.00 24.45 C ATOM 2022 CE1 TYR A 944 -16.768 -21.482 -3.380 1.00 28.19 C ATOM 2023 CE2 TYR A 944 -14.412 -21.904 -3.527 1.00 26.48 C ATOM 2024 CZ TYR A 944 -15.715 -22.374 -3.506 1.00 36.65 C ATOM 2025 OH TYR A 944 -15.960 -23.723 -3.619 1.00 42.60 O ATOM 2026 HH TYR A 944 -16.936 -23.884 -3.586 1.00 0.00 H ATOM 2027 H TYR A 944 -13.862 -16.021 -2.240 1.00 0.00 H ATOM 2028 N THR A 945 -13.216 -18.838 -0.562 1.00 14.41 N ATOM 2029 CA THR A 945 -12.592 -19.783 0.358 1.00 14.37 C ATOM 2030 C THR A 945 -12.805 -19.393 1.800 1.00 19.49 C ATOM 2031 O THR A 945 -12.782 -20.275 2.649 1.00 20.32 O ATOM 2032 CB THR A 945 -11.092 -20.026 0.068 1.00 20.91 C ATOM 2033 OG1 THR A 945 -10.365 -18.824 0.271 1.00 18.51 O ATOM 2034 CG2 THR A 945 -10.828 -20.616 -1.308 1.00 17.98 C ATOM 2035 HG1 THR A 945 -9.406 -18.984 0.084 1.00 0.00 H ATOM 2036 H THR A 945 -12.606 -18.237 -1.152 1.00 0.00 H ATOM 2037 N PHE A 946 -12.983 -18.090 2.089 1.00 16.45 N ATOM 2038 CA PHE A 946 -13.260 -17.616 3.444 1.00 17.59 C ATOM 2039 C PHE A 946 -14.699 -18.044 3.833 1.00 22.53 C ATOM 2040 O PHE A 946 -14.908 -18.560 4.937 1.00 21.29 O ATOM 2041 CB PHE A 946 -13.078 -16.091 3.545 1.00 19.28 C ATOM 2042 CG PHE A 946 -13.262 -15.534 4.936 1.00 21.32 C ATOM 2043 CD1 PHE A 946 -12.247 -15.627 5.880 1.00 24.02 C ATOM 2044 CD2 PHE A 946 -14.449 -14.905 5.301 1.00 22.90 C ATOM 2045 CE1 PHE A 946 -12.434 -15.142 7.176 1.00 25.07 C ATOM 2046 CE2 PHE A 946 -14.622 -14.401 6.588 1.00 25.79 C ATOM 2047 CZ PHE A 946 -13.612 -14.516 7.514 1.00 24.00 C ATOM 2048 H PHE A 946 -12.921 -17.394 1.319 1.00 0.00 H TER 2049 PHE A 946 ATOM 2050 N GLU A 948 -16.454 -20.480 2.394 1.00 20.40 N ATOM 2051 CA GLU A 948 -16.450 -21.937 2.325 1.00 19.73 C ATOM 2052 C GLU A 948 -15.324 -22.586 3.095 1.00 22.67 C ATOM 2053 O GLU A 948 -15.042 -23.745 2.878 1.00 21.59 O ATOM 2054 CB GLU A 948 -16.451 -22.384 0.854 1.00 20.47 C ATOM 2055 CG GLU A 948 -17.725 -22.029 0.106 1.00 19.85 C ATOM 2056 CD GLU A 948 -18.985 -22.700 0.626 1.00 37.00 C ATOM 2057 OE1 GLU A 948 -18.897 -23.790 1.239 1.00 27.59 O ATOM 2058 OE2 GLU A 948 -20.069 -22.110 0.433 1.00 22.57 O ATOM 2059 HN3 GLU A 948 -15.563 -20.113 2.003 1.00 0.00 H ATOM 2060 HN2 GLU A 948 -16.548 -20.181 3.386 1.00 0.00 H ATOM 2061 HN1 GLU A 948 -17.254 -20.110 1.842 1.00 0.00 H ATOM 2062 N SER A 949 -14.751 -21.866 4.061 1.00 21.30 N ATOM 2063 CA SER A 949 -13.652 -22.308 4.925 1.00 20.57 C ATOM 2064 C SER A 949 -13.860 -23.698 5.527 1.00 23.22 C ATOM 2065 O SER A 949 -12.945 -24.515 5.489 1.00 22.48 O ATOM 2066 CB SER A 949 -13.447 -21.297 6.048 1.00 21.87 C ATOM 2067 OG SER A 949 -12.248 -21.597 6.739 1.00 31.01 O ATOM 2068 HG SER A 949 -11.485 -21.551 6.109 1.00 0.00 H ATOM 2069 H SER A 949 -15.117 -20.905 4.215 1.00 0.00 H ATOM 2070 N HIS A 950 -15.044 -23.935 6.116 1.00 19.31 N ATOM 2071 CA HIS A 950 -15.433 -25.165 6.792 1.00 20.55 C ATOM 2072 C HIS A 950 -15.502 -26.347 5.826 1.00 26.20 C ATOM 2073 O HIS A 950 -14.829 -27.346 6.066 1.00 26.38 O ATOM 2074 CB HIS A 950 -16.763 -24.967 7.560 1.00 22.34 C ATOM 2075 CG HIS A 950 -17.160 -26.146 8.397 1.00 26.69 C ATOM 2076 ND1 HIS A 950 -16.402 -26.556 9.481 1.00 28.81 N ATOM 2077 CD2 HIS A 950 -18.210 -26.987 8.257 1.00 29.12 C ATOM 2078 CE1 HIS A 950 -17.010 -27.629 9.956 1.00 28.65 C ATOM 2079 NE2 HIS A 950 -18.110 -27.917 9.259 1.00 29.03 N ATOM 2080 H HIS A 950 -15.748 -23.170 6.087 1.00 0.00 H ATOM 2081 N ALA A 951 -16.251 -26.225 4.715 1.00 24.07 N ATOM 2082 CA ALA A 951 -16.357 -27.322 3.728 1.00 24.00 C ATOM 2083 C ALA A 951 -15.028 -27.615 3.044 1.00 27.11 C ATOM 2084 O ALA A 951 -14.682 -28.780 2.854 1.00 25.82 O ATOM 2085 CB ALA A 951 -17.419 -27.011 2.681 1.00 24.20 C ATOM 2086 H ALA A 951 -16.768 -25.338 4.546 1.00 0.00 H ATOM 2087 N LEU A 952 -14.288 -26.563 2.673 1.00 24.08 N ATOM 2088 CA LEU A 952 -13.001 -26.686 1.979 1.00 23.16 C ATOM 2089 C LEU A 952 -11.834 -27.077 2.869 1.00 26.13 C ATOM 2090 O LEU A 952 -10.813 -27.516 2.346 1.00 25.11 O ATOM 2091 CB LEU A 952 -12.663 -25.371 1.246 1.00 22.66 C ATOM 2092 CG LEU A 952 -13.643 -24.889 0.164 1.00 25.72 C ATOM 2093 CD1 LEU A 952 -13.144 -23.592 -0.458 1.00 24.57 C ATOM 2094 CD2 LEU A 952 -13.863 -25.956 -0.915 1.00 25.67 C ATOM 2095 H LEU A 952 -14.644 -25.610 2.888 1.00 0.00 H ATOM 2096 N LYS A 953 -11.965 -26.871 4.203 1.00 23.42 N ATOM 2097 CA LYS A 953 -10.942 -27.116 5.232 1.00 22.29 C ATOM 2098 C LYS A 953 -9.717 -26.176 5.030 1.00 27.78 C ATOM 2099 O LYS A 953 -8.567 -26.544 5.312 1.00 28.15 O ATOM 2100 CB LYS A 953 -10.560 -28.607 5.318 1.00 24.47 C ATOM 2101 CG LYS A 953 -11.740 -29.524 5.595 1.00 35.60 C ATOM 2102 CD LYS A 953 -11.363 -30.977 5.373 1.00 47.79 C ATOM 2103 CE LYS A 953 -12.458 -31.939 5.773 1.00 58.29 C ATOM 2104 NZ LYS A 953 -13.598 -31.920 4.819 1.00 69.86 N ATOM 2105 HZ1 LYS A 953 -14.004 -30.963 4.785 1.00 0.00 H ATOM 2106 HZ2 LYS A 953 -13.261 -32.189 3.873 1.00 0.00 H ATOM 2107 HZ3 LYS A 953 -14.324 -32.595 5.134 1.00 0.00 H ATOM 2108 H LYS A 953 -12.880 -26.503 4.532 1.00 0.00 H ATOM 2109 N VAL A 954 -9.989 -24.941 4.552 1.00 23.27 N ATOM 2110 CA VAL A 954 -8.977 -23.914 4.309 1.00 22.00 C ATOM 2111 C VAL A 954 -8.929 -23.039 5.558 1.00 27.66 C ATOM 2112 O VAL A 954 -9.854 -22.263 5.793 1.00 27.92 O ATOM 2113 CB VAL A 954 -9.254 -23.123 2.989 1.00 24.60 C ATOM 2114 CG1 VAL A 954 -8.324 -21.925 2.837 1.00 24.27 C ATOM 2115 CG2 VAL A 954 -9.137 -24.037 1.772 1.00 23.74 C ATOM 2116 H VAL A 954 -10.981 -24.707 4.344 1.00 0.00 H ATOM 2117 N GLU A 955 -7.872 -23.202 6.382 1.00 24.10 N ATOM 2118 CA GLU A 955 -7.687 -22.444 7.626 1.00 23.49 C ATOM 2119 C GLU A 955 -7.363 -20.978 7.343 1.00 24.41 C ATOM 2120 O GLU A 955 -6.785 -20.658 6.311 1.00 24.32 O ATOM 2121 CB GLU A 955 -6.553 -23.031 8.478 1.00 25.08 C ATOM 2122 CG GLU A 955 -6.795 -24.434 9.020 1.00 36.62 C ATOM 2123 CD GLU A 955 -5.663 -25.015 9.856 1.00 60.98 C ATOM 2124 OE1 GLU A 955 -4.653 -24.307 10.091 1.00 53.63 O ATOM 2125 OE2 GLU A 955 -5.785 -26.192 10.269 1.00 57.65 O ATOM 2126 H GLU A 955 -7.149 -23.903 6.121 1.00 0.00 H ATOM 2127 N PHE A 956 -7.714 -20.109 8.286 1.00 19.42 N ATOM 2128 CA PHE A 956 -7.455 -18.675 8.266 1.00 19.33 C ATOM 2129 C PHE A 956 -7.044 -18.298 9.681 1.00 25.51 C ATOM 2130 O PHE A 956 -7.792 -18.602 10.622 1.00 25.98 O ATOM 2131 CB PHE A 956 -8.702 -17.855 7.841 1.00 19.22 C ATOM 2132 CG PHE A 956 -8.976 -17.848 6.360 1.00 18.44 C ATOM 2133 CD1 PHE A 956 -9.777 -18.827 5.779 1.00 18.40 C ATOM 2134 CD2 PHE A 956 -8.463 -16.843 5.546 1.00 19.81 C ATOM 2135 CE1 PHE A 956 -9.986 -18.853 4.397 1.00 19.24 C ATOM 2136 CE2 PHE A 956 -8.710 -16.846 4.158 1.00 21.91 C ATOM 2137 CZ PHE A 956 -9.493 -17.833 3.601 1.00 18.79 C ATOM 2138 H PHE A 956 -8.219 -20.487 9.113 1.00 0.00 H ATOM 2139 N PRO A 957 -5.855 -17.673 9.862 1.00 22.98 N ATOM 2140 CA PRO A 957 -5.455 -17.237 11.219 1.00 22.49 C ATOM 2141 C PRO A 957 -6.301 -16.038 11.637 1.00 27.46 C ATOM 2142 O PRO A 957 -6.893 -15.377 10.763 1.00 26.52 O ATOM 2143 CB PRO A 957 -3.985 -16.857 11.043 1.00 24.06 C ATOM 2144 CG PRO A 957 -3.878 -16.420 9.618 1.00 28.13 C ATOM 2145 CD PRO A 957 -4.867 -17.250 8.842 1.00 23.73 C ATOM 2146 N ALA A 958 -6.366 -15.752 12.956 1.00 25.11 N ATOM 2147 CA ALA A 958 -7.179 -14.657 13.516 1.00 25.00 C ATOM 2148 C ALA A 958 -6.974 -13.309 12.832 1.00 28.67 C ATOM 2149 O ALA A 958 -7.944 -12.581 12.627 1.00 28.44 O ATOM 2150 CB ALA A 958 -6.936 -14.532 15.003 1.00 25.95 C ATOM 2151 H ALA A 958 -5.811 -16.337 13.613 1.00 0.00 H ATOM 2152 N MET A 959 -5.726 -13.005 12.429 1.00 26.16 N ATOM 2153 CA MET A 959 -5.353 -11.767 11.742 1.00 26.76 C ATOM 2154 C MET A 959 -6.120 -11.647 10.436 1.00 27.26 C ATOM 2155 O MET A 959 -6.643 -10.574 10.134 1.00 26.40 O ATOM 2156 CB MET A 959 -3.829 -11.740 11.499 1.00 30.23 C ATOM 2157 CG MET A 959 -3.297 -10.433 10.899 1.00 36.04 C ATOM 2158 SD MET A 959 -3.207 -8.976 12.002 1.00 41.39 S ATOM 2159 CE MET A 959 -2.691 -9.735 13.521 1.00 37.92 C ATOM 2160 H MET A 959 -4.974 -13.698 12.619 1.00 0.00 H ATOM 2161 N LEU A 960 -6.213 -12.751 9.673 1.00 22.09 N ATOM 2162 CA LEU A 960 -6.938 -12.728 8.408 1.00 21.49 C ATOM 2163 C LEU A 960 -8.464 -12.778 8.605 1.00 23.39 C ATOM 2164 O LEU A 960 -9.183 -12.137 7.845 1.00 21.18 O ATOM 2165 CB LEU A 960 -6.431 -13.805 7.446 1.00 21.80 C ATOM 2166 CG LEU A 960 -5.511 -13.299 6.319 1.00 26.86 C ATOM 2167 CD1 LEU A 960 -4.236 -12.648 6.872 1.00 27.94 C ATOM 2168 CD2 LEU A 960 -5.138 -14.423 5.366 1.00 25.12 C ATOM 2169 H LEU A 960 -5.762 -13.633 9.990 1.00 0.00 H ATOM 2170 N VAL A 961 -8.951 -13.465 9.661 1.00 20.70 N ATOM 2171 CA VAL A 961 -10.396 -13.555 9.964 1.00 20.06 C ATOM 2172 C VAL A 961 -10.968 -12.148 10.225 1.00 26.88 C ATOM 2173 O VAL A 961 -11.964 -11.768 9.609 1.00 28.15 O ATOM 2174 CB VAL A 961 -10.705 -14.558 11.116 1.00 22.90 C ATOM 2175 CG1 VAL A 961 -12.179 -14.489 11.552 1.00 22.53 C ATOM 2176 CG2 VAL A 961 -10.332 -15.993 10.720 1.00 22.56 C ATOM 2177 H VAL A 961 -8.280 -13.952 10.289 1.00 0.00 H ATOM 2178 N GLU A 962 -10.303 -11.367 11.089 1.00 24.16 N ATOM 2179 CA GLU A 962 -10.713 -10.001 11.432 1.00 24.33 C ATOM 2180 C GLU A 962 -10.715 -9.071 10.215 1.00 27.67 C ATOM 2181 O GLU A 962 -11.734 -8.451 9.942 1.00 28.03 O ATOM 2182 CB GLU A 962 -9.841 -9.447 12.559 1.00 25.66 C ATOM 2183 CG GLU A 962 -10.127 -10.161 13.874 1.00 37.99 C ATOM 2184 CD GLU A 962 -9.414 -9.675 15.120 1.00 58.26 C ATOM 2185 OE1 GLU A 962 -8.695 -8.652 15.046 1.00 51.42 O ATOM 2186 OE2 GLU A 962 -9.579 -10.326 16.178 1.00 52.34 O ATOM 2187 H GLU A 962 -9.449 -11.751 11.541 1.00 0.00 H ATOM 2188 N ILE A 963 -9.600 -9.018 9.459 1.00 22.40 N ATOM 2189 CA ILE A 963 -9.479 -8.198 8.249 1.00 20.61 C ATOM 2190 C ILE A 963 -10.561 -8.546 7.205 1.00 24.77 C ATOM 2191 O ILE A 963 -11.310 -7.662 6.800 1.00 23.93 O ATOM 2192 CB ILE A 963 -8.035 -8.272 7.665 1.00 22.46 C ATOM 2193 CG1 ILE A 963 -7.023 -7.575 8.620 1.00 20.82 C ATOM 2194 CG2 ILE A 963 -7.981 -7.665 6.248 1.00 23.55 C ATOM 2195 CD1 ILE A 963 -5.528 -7.790 8.341 1.00 15.96 C ATOM 2196 H ILE A 963 -8.781 -9.590 9.750 1.00 0.00 H ATOM 2197 N ILE A 964 -10.639 -9.831 6.779 1.00 21.48 N ATOM 2198 CA ILE A 964 -11.582 -10.287 5.746 1.00 20.45 C ATOM 2199 C ILE A 964 -13.049 -10.099 6.187 1.00 24.83 C ATOM 2200 O ILE A 964 -13.870 -9.710 5.350 1.00 23.87 O ATOM 2201 CB ILE A 964 -11.265 -11.734 5.251 1.00 22.41 C ATOM 2202 CG1 ILE A 964 -9.794 -11.815 4.725 1.00 21.78 C ATOM 2203 CG2 ILE A 964 -12.263 -12.196 4.166 1.00 21.22 C ATOM 2204 CD1 ILE A 964 -9.226 -13.191 4.645 1.00 20.39 C ATOM 2205 H ILE A 964 -9.999 -10.531 7.205 1.00 0.00 H ATOM 2206 N SER A 965 -13.369 -10.314 7.483 1.00 23.44 N ATOM 2207 CA SER A 965 -14.746 -10.112 7.986 1.00 24.38 C ATOM 2208 C SER A 965 -15.227 -8.676 7.804 1.00 28.10 C ATOM 2209 O SER A 965 -16.412 -8.457 7.534 1.00 27.96 O ATOM 2210 CB SER A 965 -14.866 -10.516 9.450 1.00 29.35 C ATOM 2211 OG SER A 965 -14.693 -11.917 9.588 1.00 42.13 O ATOM 2212 HG SER A 965 -13.797 -12.172 9.253 1.00 0.00 H ATOM 2213 H SER A 965 -12.629 -10.629 8.143 1.00 0.00 H ATOM 2214 N ASP A 966 -14.310 -7.701 7.928 1.00 25.31 N ATOM 2215 CA ASP A 966 -14.623 -6.287 7.732 1.00 25.47 C ATOM 2216 C ASP A 966 -14.562 -5.916 6.259 1.00 30.63 C ATOM 2217 O ASP A 966 -15.444 -5.221 5.768 1.00 30.44 O ATOM 2218 CB ASP A 966 -13.650 -5.397 8.520 1.00 28.04 C ATOM 2219 CG ASP A 966 -13.878 -5.338 10.018 1.00 42.55 C ATOM 2220 OD1 ASP A 966 -14.995 -5.686 10.467 1.00 43.84 O ATOM 2221 OD2 ASP A 966 -12.955 -4.909 10.740 1.00 50.76 O ATOM 2222 H ASP A 966 -13.335 -7.965 8.174 1.00 0.00 H ATOM 2223 N GLN A 967 -13.519 -6.377 5.553 1.00 27.09 N ATOM 2224 CA GLN A 967 -13.273 -6.048 4.148 1.00 26.01 C ATOM 2225 C GLN A 967 -14.318 -6.583 3.183 1.00 27.58 C ATOM 2226 O GLN A 967 -14.796 -5.812 2.364 1.00 26.82 O ATOM 2227 CB GLN A 967 -11.867 -6.504 3.738 1.00 26.65 C ATOM 2228 CG GLN A 967 -11.483 -6.141 2.311 1.00 27.86 C ATOM 2229 CD GLN A 967 -10.436 -7.086 1.802 1.00 33.45 C ATOM 2230 OE1 GLN A 967 -10.150 -8.124 2.421 1.00 23.86 O ATOM 2231 NE2 GLN A 967 -9.851 -6.757 0.659 1.00 16.24 N ATOM 2232 HE22 GLN A 967 -10.119 -5.878 0.172 1.00 0.00 H ATOM 2233 HE21 GLN A 967 -9.124 -7.378 0.250 1.00 0.00 H ATOM 2234 H GLN A 967 -12.844 -7.006 6.033 1.00 0.00 H ATOM 2235 N LEU A 968 -14.614 -7.900 3.232 1.00 24.49 N ATOM 2236 CA LEU A 968 -15.560 -8.599 2.354 1.00 23.88 C ATOM 2237 C LEU A 968 -16.908 -7.840 2.182 1.00 30.64 C ATOM 2238 O LEU A 968 -17.269 -7.585 1.033 1.00 30.89 O ATOM 2239 CB LEU A 968 -15.756 -10.064 2.833 1.00 23.49 C ATOM 2240 CG LEU A 968 -16.637 -11.020 2.010 1.00 26.60 C ATOM 2241 CD1 LEU A 968 -16.372 -12.484 2.404 1.00 26.20 C ATOM 2242 CD2 LEU A 968 -18.128 -10.728 2.203 1.00 27.31 C ATOM 2243 H LEU A 968 -14.129 -8.469 3.955 1.00 0.00 H ATOM 2244 N PRO A 969 -17.658 -7.435 3.241 1.00 29.32 N ATOM 2245 CA PRO A 969 -18.924 -6.707 2.996 1.00 29.91 C ATOM 2246 C PRO A 969 -18.754 -5.387 2.229 1.00 34.44 C ATOM 2247 O PRO A 969 -19.596 -5.063 1.389 1.00 34.85 O ATOM 2248 CB PRO A 969 -19.487 -6.470 4.408 1.00 31.45 C ATOM 2249 CG PRO A 969 -18.832 -7.474 5.255 1.00 35.47 C ATOM 2250 CD PRO A 969 -17.449 -7.633 4.689 1.00 31.02 C ATOM 2251 N LYS A 970 -17.648 -4.655 2.488 1.00 30.39 N ATOM 2252 CA LYS A 970 -17.347 -3.370 1.859 1.00 29.50 C ATOM 2253 C LYS A 970 -17.078 -3.535 0.369 1.00 32.82 C ATOM 2254 O LYS A 970 -17.635 -2.798 -0.450 1.00 32.91 O ATOM 2255 CB LYS A 970 -16.156 -2.669 2.548 1.00 31.45 C ATOM 2256 CG LYS A 970 -16.316 -2.437 4.047 1.00 36.01 C ATOM 2257 CD LYS A 970 -15.074 -1.766 4.628 1.00 47.60 C ATOM 2258 CE LYS A 970 -15.181 -1.512 6.115 1.00 59.98 C ATOM 2259 NZ LYS A 970 -13.983 -0.798 6.653 1.00 71.48 N ATOM 2260 HZ1 LYS A 970 -13.133 -1.373 6.483 1.00 0.00 H ATOM 2261 HZ2 LYS A 970 -13.884 0.120 6.174 1.00 0.00 H ATOM 2262 HZ3 LYS A 970 -14.101 -0.646 7.675 1.00 0.00 H ATOM 2263 H LYS A 970 -16.967 -5.030 3.179 1.00 0.00 H ATOM 2264 N VAL A 971 -16.222 -4.502 0.016 1.00 27.45 N ATOM 2265 CA VAL A 971 -15.852 -4.768 -1.377 1.00 26.37 C ATOM 2266 C VAL A 971 -17.079 -5.243 -2.168 1.00 31.93 C ATOM 2267 O VAL A 971 -17.411 -4.661 -3.191 1.00 32.78 O ATOM 2268 CB VAL A 971 -14.638 -5.741 -1.466 1.00 27.93 C ATOM 2269 CG1 VAL A 971 -14.361 -6.168 -2.907 1.00 26.65 C ATOM 2270 CG2 VAL A 971 -13.394 -5.110 -0.836 1.00 27.68 C ATOM 2271 H VAL A 971 -15.801 -5.090 0.763 1.00 0.00 H ATOM 2272 N GLU A 972 -17.765 -6.260 -1.659 1.00 29.78 N ATOM 2273 CA GLU A 972 -18.942 -6.852 -2.291 1.00 29.83 C ATOM 2274 C GLU A 972 -20.142 -5.897 -2.477 1.00 34.22 C ATOM 2275 O GLU A 972 -20.888 -6.076 -3.442 1.00 33.83 O ATOM 2276 CB GLU A 972 -19.352 -8.112 -1.537 1.00 30.96 C ATOM 2277 CG GLU A 972 -18.330 -9.233 -1.694 1.00 35.33 C ATOM 2278 CD GLU A 972 -18.853 -10.613 -1.358 1.00 51.02 C ATOM 2279 OE1 GLU A 972 -19.933 -10.698 -0.730 1.00 45.95 O ATOM 2280 OE2 GLU A 972 -18.180 -11.610 -1.709 1.00 41.12 O ATOM 2281 H GLU A 972 -17.444 -6.660 -0.754 1.00 0.00 H ATOM 2282 N SER A 973 -20.315 -4.884 -1.593 1.00 31.31 N ATOM 2283 CA SER A 973 -21.401 -3.895 -1.697 1.00 30.94 C ATOM 2284 C SER A 973 -21.045 -2.693 -2.589 1.00 35.67 C ATOM 2285 O SER A 973 -21.878 -1.804 -2.772 1.00 35.99 O ATOM 2286 CB SER A 973 -21.805 -3.394 -0.317 1.00 34.61 C ATOM 2287 OG SER A 973 -20.723 -2.712 0.295 1.00 44.71 O ATOM 2288 HG SER A 973 -19.955 -3.330 0.387 1.00 0.00 H ATOM 2289 H SER A 973 -19.646 -4.801 -0.801 1.00 0.00 H ATOM 2290 N GLY A 974 -19.820 -2.658 -3.105 1.00 31.75 N ATOM 2291 CA GLY A 974 -19.341 -1.567 -3.950 1.00 31.44 C ATOM 2292 C GLY A 974 -18.763 -0.377 -3.205 1.00 36.08 C ATOM 2293 O GLY A 974 -18.487 0.657 -3.821 1.00 35.39 O ATOM 2294 H GLY A 974 -19.172 -3.445 -2.897 1.00 0.00 H ATOM 2295 N ASN A 975 -18.557 -0.510 -1.879 1.00 33.53 N ATOM 2296 CA ASN A 975 -17.995 0.548 -1.042 1.00 34.69 C ATOM 2297 C ASN A 975 -16.516 0.862 -1.354 1.00 41.90 C ATOM 2298 O ASN A 975 -16.076 1.966 -1.065 1.00 44.40 O ATOM 2299 CB ASN A 975 -18.201 0.244 0.460 1.00 35.84 C ATOM 2300 CG ASN A 975 -18.045 1.414 1.411 1.00 55.03 C ATOM 2301 OD1 ASN A 975 -17.746 2.546 1.032 1.00 47.14 O ATOM 2302 ND2 ASN A 975 -18.288 1.171 2.686 1.00 51.23 N ATOM 2303 HD22 ASN A 975 -18.540 0.210 2.993 1.00 0.00 H ATOM 2304 HD21 ASN A 975 -18.228 1.941 3.383 1.00 0.00 H ATOM 2305 H ASN A 975 -18.811 -1.412 -1.429 1.00 0.00 H ATOM 2306 N ALA A 976 -15.761 -0.053 -1.966 1.00 38.31 N ATOM 2307 CA ALA A 976 -14.360 0.239 -2.291 1.00 37.77 C ATOM 2308 C ALA A 976 -14.236 1.126 -3.539 1.00 41.28 C ATOM 2309 O ALA A 976 -14.989 0.945 -4.508 1.00 42.81 O ATOM 2310 CB ALA A 976 -13.583 -1.048 -2.482 1.00 38.28 C ATOM 2311 H ALA A 976 -16.168 -0.978 -2.214 1.00 0.00 H ATOM 2312 N LYS A 977 -13.302 2.101 -3.502 1.00 32.80 N ATOM 2313 CA LYS A 977 -13.025 2.992 -4.628 1.00 29.86 C ATOM 2314 C LYS A 977 -11.528 2.918 -4.980 1.00 30.86 C ATOM 2315 O LYS A 977 -10.713 3.532 -4.290 1.00 28.72 O ATOM 2316 CB LYS A 977 -13.474 4.434 -4.343 1.00 30.24 C ATOM 2317 CG LYS A 977 -13.265 5.379 -5.509 1.00 32.85 C ATOM 2318 CD LYS A 977 -13.433 6.827 -5.103 1.00 39.50 C ATOM 2319 CE LYS A 977 -13.069 7.742 -6.241 1.00 55.42 C ATOM 2320 NZ LYS A 977 -13.770 9.050 -6.135 1.00 72.29 N ATOM 2321 HZ1 LYS A 977 -14.798 8.894 -6.154 1.00 0.00 H ATOM 2322 HZ2 LYS A 977 -13.505 9.513 -5.242 1.00 0.00 H ATOM 2323 HZ3 LYS A 977 -13.496 9.655 -6.935 1.00 0.00 H ATOM 2324 H LYS A 977 -12.752 2.224 -2.628 1.00 0.00 H ATOM 2325 N PRO A 978 -11.155 2.188 -6.059 1.00 27.30 N ATOM 2326 CA PRO A 978 -9.733 2.124 -6.444 1.00 26.59 C ATOM 2327 C PRO A 978 -9.239 3.426 -7.074 1.00 30.21 C ATOM 2328 O PRO A 978 -9.929 4.024 -7.907 1.00 30.44 O ATOM 2329 CB PRO A 978 -9.677 0.947 -7.430 1.00 28.08 C ATOM 2330 CG PRO A 978 -11.033 0.860 -7.995 1.00 32.78 C ATOM 2331 CD PRO A 978 -12.009 1.429 -7.000 1.00 28.44 C ATOM 2332 N LEU A 979 -8.053 3.879 -6.654 1.00 24.86 N ATOM 2333 CA LEU A 979 -7.461 5.095 -7.192 1.00 24.54 C ATOM 2334 C LEU A 979 -6.452 4.706 -8.249 1.00 28.03 C ATOM 2335 O LEU A 979 -5.632 3.811 -8.026 1.00 29.02 O ATOM 2336 CB LEU A 979 -6.841 5.983 -6.097 1.00 24.32 C ATOM 2337 CG LEU A 979 -7.696 6.318 -4.855 1.00 27.43 C ATOM 2338 CD1 LEU A 979 -6.885 7.132 -3.859 1.00 27.19 C ATOM 2339 CD2 LEU A 979 -8.941 7.079 -5.219 1.00 27.82 C ATOM 2340 H LEU A 979 -7.539 3.348 -5.922 1.00 0.00 H ATOM 2341 N TYR A 980 -6.557 5.335 -9.426 1.00 23.52 N ATOM 2342 CA TYR A 980 -5.735 5.036 -10.601 1.00 23.04 C ATOM 2343 C TYR A 980 -4.879 6.210 -11.037 1.00 25.50 C ATOM 2344 O TYR A 980 -5.274 7.360 -10.874 1.00 25.21 O ATOM 2345 CB TYR A 980 -6.633 4.618 -11.779 1.00 24.49 C ATOM 2346 CG TYR A 980 -7.290 3.260 -11.655 1.00 28.57 C ATOM 2347 CD1 TYR A 980 -6.637 2.107 -12.082 1.00 30.04 C ATOM 2348 CD2 TYR A 980 -8.598 3.136 -11.190 1.00 30.89 C ATOM 2349 CE1 TYR A 980 -7.260 0.858 -12.031 1.00 31.33 C ATOM 2350 CE2 TYR A 980 -9.225 1.889 -11.120 1.00 33.06 C ATOM 2351 CZ TYR A 980 -8.551 0.754 -11.545 1.00 39.64 C ATOM 2352 OH TYR A 980 -9.156 -0.479 -11.504 1.00 45.64 O ATOM 2353 HH TYR A 980 -8.528 -1.165 -11.844 1.00 0.00 H ATOM 2354 H TYR A 980 -7.270 6.087 -9.512 1.00 0.00 H ATOM 2355 N PHE A 981 -3.714 5.913 -11.624 1.00 20.30 N ATOM 2356 CA PHE A 981 -2.816 6.921 -12.168 1.00 19.72 C ATOM 2357 C PHE A 981 -3.208 7.200 -13.628 1.00 25.23 C ATOM 2358 O PHE A 981 -3.002 8.306 -14.119 1.00 25.24 O ATOM 2359 CB PHE A 981 -1.352 6.437 -12.079 1.00 20.78 C ATOM 2360 CG PHE A 981 -0.841 6.410 -10.660 1.00 22.38 C ATOM 2361 CD1 PHE A 981 -0.317 7.557 -10.070 1.00 26.18 C ATOM 2362 CD2 PHE A 981 -0.932 5.255 -9.891 1.00 24.14 C ATOM 2363 CE1 PHE A 981 0.134 7.541 -8.743 1.00 26.52 C ATOM 2364 CE2 PHE A 981 -0.507 5.246 -8.558 1.00 26.70 C ATOM 2365 CZ PHE A 981 0.025 6.388 -7.995 1.00 25.53 C ATOM 2366 H PHE A 981 -3.437 4.913 -11.695 1.00 0.00 H ATOM 2367 N HIS A 982 -3.752 6.187 -14.318 1.00 21.72 N ATOM 2368 CA HIS A 982 -4.134 6.256 -15.726 1.00 23.24 C ATOM 2369 C HIS A 982 -5.629 5.911 -15.891 1.00 31.98 C ATOM 2370 O HIS A 982 -6.339 5.866 -14.891 1.00 32.66 O ATOM 2371 CB HIS A 982 -3.194 5.374 -16.594 1.00 23.45 C ATOM 2372 CG HIS A 982 -1.735 5.711 -16.431 1.00 26.39 C ATOM 2373 ND1 HIS A 982 -1.099 6.609 -17.276 1.00 27.56 N ATOM 2374 CD2 HIS A 982 -0.844 5.286 -15.499 1.00 27.66 C ATOM 2375 CE1 HIS A 982 0.146 6.701 -16.834 1.00 26.51 C ATOM 2376 NE2 HIS A 982 0.352 5.917 -15.773 1.00 27.05 N ATOM 2377 H HIS A 982 -3.913 5.291 -13.816 1.00 0.00 H ATOM 2378 N ARG A 983 -6.118 5.722 -17.135 1.00 30.52 N ATOM 2379 CA ARG A 983 -7.544 5.482 -17.473 1.00 71.48 C ATOM 2380 C ARG A 983 -8.360 6.777 -17.350 1.00100.09 C ATOM 2381 O ARG A 983 -8.182 7.711 -18.134 1.00 61.62 O ATOM 2382 CB ARG A 983 -8.197 4.362 -16.627 1.00 71.42 C ATOM 2383 CG ARG A 983 -7.570 2.987 -16.806 1.00 78.76 C ATOM 2384 CD ARG A 983 -7.748 2.154 -15.557 1.00 81.10 C ATOM 2385 NE ARG A 983 -6.681 1.163 -15.415 1.00 83.78 N ATOM 2386 CZ ARG A 983 -6.854 -0.151 -15.517 1.00 95.48 C ATOM 2387 NH1 ARG A 983 -8.061 -0.654 -15.750 1.00 83.59 N ATOM 2388 NH2 ARG A 983 -5.823 -0.974 -15.377 1.00 80.44 N ATOM 2389 HE ARG A 983 -5.720 1.511 -15.221 1.00 0.00 H ATOM 2390 HH12 ARG A 983 -8.189 -1.683 -15.829 1.00 0.00 H ATOM 2391 HH11 ARG A 983 -8.878 -0.019 -15.854 1.00 0.00 H ATOM 2392 HH22 ARG A 983 -5.963 -2.001 -15.458 1.00 0.00 H ATOM 2393 HH21 ARG A 983 -4.875 -0.592 -15.187 1.00 0.00 H ATOM 2394 H ARG A 983 -5.439 5.747 -17.923 1.00 0.00 H TER 2395 ARG A 983 HETATM 2396 O HOH 1 6.130 -30.250 -6.913 1.00 54.18 O HETATM 2397 O HOH 2 3.818 -8.879 2.720 1.00 30.45 O HETATM 2398 O HOH 3 -12.041 1.114 12.970 1.00 42.32 O HETATM 2399 O HOH 4 -10.751 -3.837 -3.450 1.00 32.71 O HETATM 2400 O HOH 5 11.744 -24.146 -14.504 1.00 61.36 O HETATM 2401 O HOH 6 2.994 -28.500 -14.759 1.00 46.71 O HETATM 2402 O HOH 7 1.776 -30.191 -12.869 1.00 34.19 O HETATM 2403 O HOH 8 -6.707 -24.175 -13.968 1.00 32.06 O HETATM 2404 O HOH 9 -2.950 18.432 -0.226 1.00 41.15 O HETATM 2405 O HOH 10 2.060 -2.735 -16.360 1.00 41.35 O HETATM 2406 O HOH 11 9.820 -0.214 3.598 1.00 30.32 O HETATM 2407 O HOH 12 7.831 -6.169 2.327 1.00 42.37 O HETATM 2408 O HOH 13 8.189 -12.259 4.321 1.00 32.96 O HETATM 2409 O HOH 14 7.335 -14.823 3.467 1.00 24.22 O HETATM 2410 O HOH 15 9.549 -16.747 10.444 1.00 36.09 O HETATM 2411 O HOH 16 2.559 -20.905 7.305 1.00 22.54 O HETATM 2412 O HOH 17 6.934 -30.301 -1.451 1.00 42.82 O HETATM 2413 O HOH 18 2.475 -34.079 -2.738 1.00 40.96 O HETATM 2414 O HOH 19 -4.116 -30.540 -4.937 1.00 23.65 O HETATM 2415 O HOH 20 3.512 -30.509 -6.366 1.00 36.18 O HETATM 2416 O HOH 21 -4.572 -32.440 3.164 1.00 39.20 O HETATM 2417 O HOH 22 -7.601 -30.360 -0.355 1.00 27.79 O HETATM 2418 O HOH 23 -1.786 -26.908 6.525 1.00 37.58 O HETATM 2419 O HOH 24 4.014 -11.200 0.867 1.00 21.25 O HETATM 2420 O HOH 25 1.570 -9.982 3.606 1.00 36.49 O HETATM 2421 O HOH 26 4.127 5.789 15.156 1.00 43.37 O HETATM 2422 O HOH 27 4.039 12.465 3.965 1.00 42.41 O HETATM 2423 O HOH 28 6.691 12.218 3.377 1.00 47.26 O HETATM 2424 O HOH 29 -10.209 6.615 14.766 1.00 40.65 O HETATM 2425 O HOH 30 -12.181 1.463 10.261 1.00 36.05 O HETATM 2426 O HOH 31 -12.132 5.103 7.555 1.00 30.99 O HETATM 2427 O HOH 32 -11.517 -1.162 4.289 1.00 32.86 O HETATM 2428 O HOH 33 -5.825 1.384 0.355 1.00 19.39 O HETATM 2429 O HOH 34 -13.115 -0.960 9.424 1.00 43.08 O HETATM 2430 O HOH 35 -9.509 -5.739 11.302 1.00 44.76 O HETATM 2431 O HOH 36 -10.057 -4.151 -0.842 1.00 23.77 O HETATM 2432 O HOH 37 -5.745 -5.199 -1.567 1.00 23.77 O HETATM 2433 O HOH 38 -5.744 -0.856 -1.968 1.00 30.77 O HETATM 2434 O HOH 39 -3.686 -1.835 -5.243 1.00 24.78 O HETATM 2435 O HOH 40 3.865 -6.286 2.215 1.00 33.14 O HETATM 2436 O HOH 41 2.054 -9.664 -7.671 1.00 45.05 O HETATM 2437 O HOH 42 9.068 -9.302 1.732 1.00 37.43 O HETATM 2438 O HOH 43 7.243 -15.188 -9.925 1.00 22.98 O HETATM 2439 O HOH 44 17.215 -10.290 -9.562 1.00 39.01 O HETATM 2440 O HOH 45 18.041 -8.105 -8.190 1.00 39.26 O HETATM 2441 O HOH 46 18.341 -16.533 -4.016 1.00 27.83 O HETATM 2442 O HOH 47 10.642 -21.212 -14.451 1.00 50.96 O HETATM 2443 O HOH 48 12.320 -24.105 -0.808 1.00 33.99 O HETATM 2444 O HOH 49 9.794 -24.939 -1.330 1.00 30.73 O HETATM 2445 O HOH 50 8.033 -23.921 -12.597 1.00 34.54 O HETATM 2446 O HOH 51 1.856 -26.293 -16.104 1.00 26.49 O HETATM 2447 O HOH 52 1.272 -30.670 -10.022 1.00 19.75 O HETATM 2448 O HOH 53 -5.826 -24.405 -10.265 1.00 30.71 O HETATM 2449 O HOH 54 -7.132 -21.814 -12.523 1.00 31.67 O HETATM 2450 O HOH 55 -7.243 -19.652 -10.184 1.00 30.03 O HETATM 2451 O HOH 56 -1.271 -9.845 -13.429 1.00 22.67 O HETATM 2452 O HOH 57 6.853 -17.472 -17.260 1.00 56.69 O HETATM 2453 O HOH 58 4.185 -9.517 -17.505 1.00 38.22 O HETATM 2454 O HOH 59 10.333 -10.732 -17.872 1.00 28.79 O HETATM 2455 O HOH 60 4.752 -3.800 3.485 1.00 47.50 O HETATM 2456 O HOH 61 -1.832 4.726 -5.142 1.00 38.80 O HETATM 2457 O HOH 62 -18.049 5.179 1.640 1.00 40.35 O HETATM 2458 O HOH 63 -17.285 8.345 -4.938 1.00 47.42 O HETATM 2459 O HOH 64 -10.625 16.228 5.287 1.00 39.96 O HETATM 2460 O HOH 65 -7.961 15.830 6.693 1.00 32.26 O HETATM 2461 O HOH 66 -5.489 17.686 0.647 1.00 41.08 O HETATM 2462 O HOH 67 -0.838 14.220 5.393 1.00 44.13 O HETATM 2463 O HOH 68 -3.250 16.632 -3.122 1.00 44.59 O HETATM 2464 O HOH 69 -7.959 17.486 -0.477 1.00 55.44 O HETATM 2465 O HOH 70 -3.764 8.515 -8.698 1.00 31.26 O HETATM 2466 O HOH 71 7.366 14.486 -1.502 1.00 42.14 O HETATM 2467 O HOH 72 8.712 15.106 -7.403 1.00 30.00 O HETATM 2468 O HOH 73 5.047 14.153 -10.684 1.00 24.74 O HETATM 2469 O HOH 74 11.237 12.505 -14.303 1.00 46.08 O HETATM 2470 O HOH 75 6.549 10.742 -16.751 1.00 32.51 O HETATM 2471 O HOH 76 6.372 9.187 -20.069 1.00 31.19 O HETATM 2472 O HOH 77 4.595 -0.977 -16.502 1.00 29.62 O HETATM 2473 O HOH 78 -2.132 -0.690 -15.903 1.00 27.56 O HETATM 2474 O HOH 79 -3.868 2.048 -15.999 1.00 30.60 O HETATM 2475 O HOH 80 -3.031 -0.188 -7.248 1.00 23.48 O HETATM 2476 O HOH 81 -2.939 2.637 -8.788 1.00 28.45 O HETATM 2477 O HOH 82 1.517 -5.370 -14.914 1.00 40.77 O HETATM 2478 O HOH 83 -8.769 -3.266 -5.239 1.00 52.72 O HETATM 2479 O HOH 84 -6.150 -3.133 -4.542 1.00 42.02 O HETATM 2480 O HOH 85 -13.280 -8.934 -6.174 1.00 31.55 O HETATM 2481 O HOH 86 -12.895 -9.671 -10.489 1.00 44.64 O HETATM 2482 O HOH 87 -10.914 -14.899 -9.378 1.00 25.06 O HETATM 2483 O HOH 88 -16.284 -14.667 -4.418 1.00 18.79 O HETATM 2484 O HOH 89 -14.455 -18.380 7.767 1.00 46.14 O HETATM 2485 O HOH 90 -17.247 -21.675 6.356 1.00 24.19 O HETATM 2486 O HOH 91 -20.939 -19.612 0.069 1.00 36.11 O HETATM 2487 O HOH 92 -17.732 -25.599 -0.770 1.00 37.16 O HETATM 2488 O HOH 93 -9.831 -21.322 10.183 1.00 41.18 O HETATM 2489 O HOH 94 -4.881 -17.472 14.785 1.00 32.37 O HETATM 2490 O HOH 95 -3.327 -14.373 13.829 1.00 29.59 O HETATM 2491 O HOH 96 -7.472 -6.995 13.182 1.00 43.56 O HETATM 2492 O HOH 97 -12.974 -1.945 12.833 1.00 53.67 O HETATM 2493 O HOH 98 -16.810 -12.019 -4.032 1.00 28.05 O HETATM 2494 O HOH 99 -8.556 7.452 -9.943 1.00 29.89 O HETATM 2495 O HOH 100 -9.816 -3.370 13.220 1.00 52.26 O HETATM 2496 O HOH 101 -10.805 2.232 15.132 1.00 45.57 O HETATM 2497 C1 DEX A 102 0.055 -15.119 1.398 1.00 -0.09 C HETATM 2498 C2 DEX A 102 1.391 -15.048 1.426 1.00 0.04 C HETATM 2499 C3 DEX A 102 2.062 -14.238 0.393 1.00 0.25 C HETATM 2500 C4 DEX A 102 1.260 -13.614 -0.696 1.00 0.03 C HETATM 2501 C5 DEX A 102 -0.081 -13.738 -0.685 1.00 -0.08 C HETATM 2502 C6 DEX A 102 -0.882 -13.123 -1.808 1.00 -0.03 C HETATM 2503 C7 DEX A 102 -1.949 -14.068 -2.353 1.00 -0.04 C HETATM 2504 C8 DEX A 102 -2.723 -14.754 -1.231 1.00 -0.01 C HETATM 2505 C9 DEX A 102 -1.774 -15.479 -0.250 1.00 0.10 C HETATM 2506 C10 DEX A 102 -0.845 -14.432 0.417 1.00 -0.02 C HETATM 2507 C19 DEX A 102 -1.543 -13.333 1.229 1.00 -0.10 C HETATM 2508 H19 DEX A 102 -0.788 -12.654 1.651 1.00 0.01 H HETATM 2509 H20 DEX A 102 -2.122 -13.791 2.045 1.00 0.01 H HETATM 2510 H21 DEX A 102 -2.220 -12.766 0.573 1.00 0.01 H HETATM 2511 C11 DEX A 102 -2.487 -16.449 0.726 1.00 0.08 C HETATM 2512 C12 DEX A 102 -3.579 -17.296 0.087 1.00 -0.02 C HETATM 2513 C13 DEX A 102 -4.593 -16.449 -0.686 1.00 0.01 C HETATM 2514 C14 DEX A 102 -3.827 -15.675 -1.751 1.00 -0.03 C HETATM 2515 C15 DEX A 102 -4.885 -15.131 -2.683 1.00 -0.05 C HETATM 2516 C16 DEX A 102 -5.986 -16.173 -2.633 1.00 -0.01 C HETATM 2517 C17 DEX A 102 -5.580 -17.224 -1.575 1.00 0.14 C HETATM 2518 C20 DEX A 102 -6.737 -17.825 -0.775 1.00 0.18 C HETATM 2519 C21 DEX A 102 -6.522 -19.118 -0.020 1.00 0.12 C HETATM 2520 O5 DEX A 102 -7.611 -19.250 0.889 1.00 -0.38 O HETATM 2521 H29 DEX A 102 -8.427 -19.274 0.403 1.00 0.21 H HETATM 2522 H22 DEX A 102 -5.571 -19.081 0.531 1.00 0.08 H HETATM 2523 H23 DEX A 102 -6.508 -19.967 -0.719 1.00 0.08 H HETATM 2524 O4 DEX A 102 -7.839 -17.305 -0.713 1.00 -0.33 O HETATM 2525 O3 DEX A 102 -4.943 -18.342 -2.210 1.00 -0.38 O HETATM 2526 H28 DEX A 102 -4.698 -18.981 -1.552 1.00 0.21 H HETATM 2527 C22 DEX A 102 -6.254 -16.666 -4.043 1.00 -0.06 C HETATM 2528 H24 DEX A 102 -6.531 -15.815 -4.683 1.00 0.02 H HETATM 2529 H25 DEX A 102 -7.078 -17.395 -4.026 1.00 0.02 H HETATM 2530 H26 DEX A 102 -5.348 -17.145 -4.442 1.00 0.02 H HETATM 2531 H15 DEX A 102 -6.912 -15.697 -2.279 1.00 0.03 H HETATM 2532 H13 DEX A 102 -4.491 -15.027 -3.705 1.00 0.03 H HETATM 2533 H14 DEX A 102 -5.253 -14.156 -2.331 1.00 0.03 H HETATM 2534 H12 DEX A 102 -3.278 -16.424 -2.340 1.00 0.03 H HETATM 2535 C18 DEX A 102 -5.370 -15.543 0.289 1.00 -0.06 C HETATM 2536 H16 DEX A 102 -4.660 -14.991 0.922 1.00 0.02 H HETATM 2537 H17 DEX A 102 -6.023 -16.161 0.923 1.00 0.02 H HETATM 2538 H18 DEX A 102 -5.982 -14.830 -0.282 1.00 0.02 H HETATM 2539 H10 DEX A 102 -4.108 -17.847 0.878 1.00 0.03 H HETATM 2540 H11 DEX A 102 -3.112 -18.010 -0.607 1.00 0.03 H HETATM 2541 O2 DEX A 102 -3.027 -15.801 1.872 1.00 -0.39 O HETATM 2542 H27 DEX A 102 -3.333 -16.455 2.490 1.00 0.21 H HETATM 2543 H9 DEX A 102 -1.712 -17.143 1.083 1.00 0.06 H HETATM 2544 F1 DEX A 102 -1.001 -16.330 -1.011 1.00 -0.26 F HETATM 2545 H8 DEX A 102 -3.223 -13.958 -0.660 1.00 0.03 H HETATM 2546 H6 DEX A 102 -1.462 -14.836 -2.971 1.00 0.03 H HETATM 2547 H7 DEX A 102 -2.653 -13.492 -2.971 1.00 0.03 H HETATM 2548 H4 DEX A 102 -0.196 -12.857 -2.626 1.00 0.04 H HETATM 2549 H5 DEX A 102 -1.375 -12.214 -1.433 1.00 0.04 H HETATM 2550 H3 DEX A 102 1.754 -13.062 -1.494 1.00 0.11 H HETATM 2551 O1 DEX A 102 3.281 -14.131 0.428 1.00 -0.27 O HETATM 2552 H2 DEX A 102 1.965 -15.572 2.188 1.00 0.12 H HETATM 2553 H1 DEX A 102 -0.423 -15.734 2.159 1.00 0.05 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1708 1709 1715 1716 1717 CONECT 1715 1708 CONECT 1716 1708 CONECT 1717 1708 CONECT 2050 2051 2059 2060 2061 CONECT 2059 2050 CONECT 2060 2050 CONECT 2061 2050 CONECT 2497 2498 2506 2553 CONECT 2498 2497 2499 2552 CONECT 2499 2498 2500 2551 CONECT 2500 2499 2501 2550 CONECT 2501 2500 2502 2506 CONECT 2502 2501 2503 2548 2549 CONECT 2503 2502 2504 2546 2547 CONECT 2504 2503 2505 2514 2545 CONECT 2505 2504 2506 2511 2544 CONECT 2506 2497 2501 2505 2507 CONECT 2507 2506 2508 2509 2510 CONECT 2508 2507 CONECT 2509 2507 CONECT 2510 2507 CONECT 2511 2505 2512 2541 2543 CONECT 2512 2511 2513 2539 2540 CONECT 2513 2512 2514 2517 2535 CONECT 2514 2504 2513 2515 2534 CONECT 2515 2514 2516 2532 2533 CONECT 2516 2515 2517 2527 2531 CONECT 2517 2513 2516 2518 2525 CONECT 2518 2517 2519 2524 CONECT 2519 2518 2520 2522 2523 CONECT 2520 2519 2521 CONECT 2521 2520 CONECT 2522 2519 CONECT 2523 2519 CONECT 2524 2518 CONECT 2525 2517 2526 CONECT 2526 2525 CONECT 2527 2516 2528 2529 2530 CONECT 2528 2527 CONECT 2529 2527 CONECT 2530 2527 CONECT 2531 2516 CONECT 2532 2515 CONECT 2533 2515 CONECT 2534 2514 CONECT 2535 2513 2536 2537 2538 CONECT 2536 2535 CONECT 2537 2535 CONECT 2538 2535 CONECT 2539 2512 CONECT 2540 2512 CONECT 2541 2511 2542 CONECT 2542 2541 CONECT 2543 2511 CONECT 2544 2505 CONECT 2545 2504 CONECT 2546 2503 CONECT 2547 2503 CONECT 2548 2502 CONECT 2549 2502 CONECT 2550 2500 CONECT 2551 2499 CONECT 2552 2498 CONECT 2553 2497 MASTER 0 0 0 0 0 0 0 0 2550 3 68 20 END
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Related entries of code: 4uda
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
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3wff
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275aa, >3WFG_1|Chain... at 90%
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PDBbind
275aa, >4PF3_1|Chain... at 90%
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RCSB PDB
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RCSB PDB
PDBbind
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PDBbind
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5l7h
RCSB PDB
PDBbind
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5mwp
RCSB PDB
PDBbind
15aa, >5MWP_2|Chain... at 100%
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RCSB PDB
PDBbind
15aa, >5MWY_2|Chain... at 100%
6ggg
RCSB PDB
PDBbind
305aa, >6GGG_1|Chain... at 100%
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PDBbind
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RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1p93
RCSB PDB
PDBbind
DEX
6nwk
RCSB PDB
PDBbind
DEX
Entry Information
PDB ID
4uda
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
mineralocorticoid receptor, MR
Ligand Name
DEX
EC.Number
E.C.-.-.-.-
Resolution
2.03(Å)
Affinity (Kd/Ki/IC50)
IC50=26.0nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Structure Vol. 23: pp. 2280-2290
Ligand Properties
Formula
C
2
2
H
2
9
FO
5
Molecular Weight
392.461
Exact Mass
392.200
No. of atoms
57
No. of bonds
60
Polar Surface Area
94.83
LOGP Value
2.04 (
Computed with XLOGP3
)
1.90 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F
InChI String
InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P08235
Q15788
Entrez Gene ID
NCBI Entrez Gene ID:
4306
8648
ASD
Information of known allosteric effects of PDB entries
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