Browse entries in the PDBbind-CN Database
HEADER 5LUD_COMPLEX COMPND 5LUD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 165 MET VAL ASN PRO THR VAL PHE PHE ASP ILE ALA VAL ASP SEQRES 2 A 165 GLY GLU PRO LEU GLY ARG VAL SER PHE GLU LEU PHE ALA SEQRES 3 A 165 ASP LYS VAL PRO LYS THR ALA GLU ASN PHE ARG ALA LEU SEQRES 4 A 165 SER THR GLY GLU LYS GLY PHE GLY TYR LYS GLY SER CYS SEQRES 5 A 165 PHE HIS ARG ILE ILE PRO GLY PHE MET CYS GLN GLY GLY SEQRES 6 A 165 ASP PHE THR ARG HIS ASN GLY THR GLY GLY LYS SER ILE SEQRES 7 A 165 TYR GLY GLU LYS PHE GLU ASP GLU ASN PHE ILE LEU LYS SEQRES 8 A 165 HIS THR GLY PRO GLY ILE LEU SER MET ALA ASN ALA GLY SEQRES 9 A 165 PRO ASN THR ASN GLY SER GLN PHE PHE ILE CYS THR ALA SEQRES 10 A 165 LYS THR GLU TRP LEU ASP GLY LYS HIS VAL VAL PHE GLY SEQRES 11 A 165 LYS VAL LYS GLU GLY MET ASN ILE VAL GLU ALA MET GLU SEQRES 12 A 165 ARG PHE GLY SER ARG ASN GLY LYS THR SER LYS LYS ILE SEQRES 13 A 165 THR ILE ALA ASP CYS GLY GLN LEU GLU HET UNN A 403 15 ATOM 1 N MET A 1 -23.840 -2.962 -16.396 1.00 57.85 N ATOM 2 CA MET A 1 -22.694 -2.057 -16.698 1.00 60.15 C ATOM 3 C MET A 1 -21.337 -2.782 -16.636 1.00 49.22 C ATOM 4 O MET A 1 -21.046 -3.553 -15.726 1.00 45.39 O ATOM 5 CB MET A 1 -22.654 -0.876 -15.724 1.00 70.99 C ATOM 6 CG MET A 1 -23.815 0.105 -15.827 1.00 81.28 C ATOM 7 SD MET A 1 -23.448 1.560 -16.844 1.00 97.98 S ATOM 8 CE MET A 1 -22.018 2.283 -16.024 1.00 89.64 C ATOM 9 HN3 MET A 1 -23.729 -3.353 -15.439 1.00 0.00 H ATOM 10 HN2 MET A 1 -23.859 -3.738 -17.088 1.00 0.00 H ATOM 11 HN1 MET A 1 -24.729 -2.424 -16.451 1.00 0.00 H ATOM 12 N VAL A 2 -20.516 -2.524 -17.638 1.00 40.60 N ATOM 13 CA VAL A 2 -19.163 -2.989 -17.656 1.00 31.93 C ATOM 14 C VAL A 2 -18.376 -1.696 -17.386 1.00 23.10 C ATOM 15 O VAL A 2 -18.592 -0.659 -18.022 1.00 24.86 O ATOM 16 CB VAL A 2 -18.806 -3.638 -18.987 1.00 29.42 C ATOM 17 CG1 VAL A 2 -17.392 -4.154 -18.921 1.00 32.57 C ATOM 18 CG2 VAL A 2 -19.747 -4.798 -19.294 1.00 35.51 C ATOM 19 H VAL A 2 -20.865 -1.964 -18.442 1.00 0.00 H ATOM 20 N ASN A 3 -17.490 -1.809 -16.411 1.00 21.44 N ATOM 21 CA ASN A 3 -16.549 -0.719 -16.126 1.00 20.58 C ATOM 22 C ASN A 3 -15.831 -0.356 -17.438 1.00 18.46 C ATOM 23 O ASN A 3 -15.300 -1.237 -18.139 1.00 19.38 O ATOM 24 CB ASN A 3 -15.561 -1.165 -15.084 1.00 19.03 C ATOM 25 CG ASN A 3 -16.095 -1.069 -13.672 1.00 16.19 C ATOM 26 OD1 ASN A 3 -17.095 -0.379 -13.438 1.00 19.57 O ATOM 27 ND2 ASN A 3 -15.406 -1.692 -12.755 1.00 17.06 N ATOM 28 HD22 ASN A 3 -14.574 -2.256 -13.023 1.00 0.00 H ATOM 29 HD21 ASN A 3 -15.689 -1.624 -11.756 1.00 0.00 H ATOM 30 H ASN A 3 -17.460 -2.678 -15.841 1.00 0.00 H ATOM 31 N PRO A 4 -15.704 0.939 -17.731 1.00 18.21 N ATOM 32 CA PRO A 4 -14.955 1.378 -18.914 1.00 17.59 C ATOM 33 C PRO A 4 -13.454 1.179 -18.783 1.00 17.02 C ATOM 34 O PRO A 4 -12.897 1.092 -17.653 1.00 16.30 O ATOM 35 CB PRO A 4 -15.298 2.836 -19.044 1.00 19.38 C ATOM 36 CG PRO A 4 -15.841 3.250 -17.749 1.00 20.06 C ATOM 37 CD PRO A 4 -16.222 2.074 -16.960 1.00 18.20 C ATOM 38 N THR A 5 -12.846 0.996 -19.941 1.00 15.01 N ATOM 39 CA THR A 5 -11.382 0.850 -20.065 1.00 15.85 C ATOM 40 C THR A 5 -10.915 1.993 -20.886 1.00 15.77 C ATOM 41 O THR A 5 -11.448 2.228 -21.958 1.00 15.62 O ATOM 42 CB THR A 5 -11.011 -0.503 -20.779 1.00 17.73 C ATOM 43 OG1 THR A 5 -11.482 -1.588 -20.017 1.00 23.66 O ATOM 44 CG2 THR A 5 -9.468 -0.662 -20.928 1.00 20.24 C ATOM 45 HG1 THR A 5 -12.466 -1.524 -19.926 1.00 0.00 H ATOM 46 H THR A 5 -13.424 0.953 -20.804 1.00 0.00 H ATOM 47 N VAL A 6 -9.836 2.647 -20.397 1.00 15.42 N ATOM 48 CA VAL A 6 -9.167 3.778 -21.071 1.00 16.59 C ATOM 49 C VAL A 6 -7.709 3.403 -21.400 1.00 14.50 C ATOM 50 O VAL A 6 -7.093 2.552 -20.727 1.00 14.72 O ATOM 51 CB VAL A 6 -9.150 5.050 -20.158 1.00 17.43 C ATOM 52 CG1 VAL A 6 -8.008 6.017 -20.485 1.00 18.77 C ATOM 53 CG2 VAL A 6 -10.478 5.759 -20.249 1.00 17.34 C ATOM 54 H VAL A 6 -9.451 2.331 -19.484 1.00 0.00 H ATOM 55 N PHE A 7 -7.130 3.991 -22.440 1.00 14.51 N ATOM 56 CA PHE A 7 -5.707 3.793 -22.740 1.00 13.78 C ATOM 57 C PHE A 7 -4.971 5.117 -22.846 1.00 14.16 C ATOM 58 O PHE A 7 -5.562 6.139 -23.311 1.00 12.71 O ATOM 59 CB PHE A 7 -5.474 2.996 -24.061 1.00 16.46 C ATOM 60 CG PHE A 7 -5.773 3.758 -25.296 1.00 14.64 C ATOM 61 CD1 PHE A 7 -7.067 3.781 -25.853 1.00 16.46 C ATOM 62 CD2 PHE A 7 -4.798 4.512 -25.944 1.00 15.41 C ATOM 63 CE1 PHE A 7 -7.303 4.536 -27.015 1.00 18.94 C ATOM 64 CE2 PHE A 7 -5.041 5.184 -27.117 1.00 17.00 C ATOM 65 CZ PHE A 7 -6.281 5.241 -27.604 1.00 18.06 C ATOM 66 H PHE A 7 -7.698 4.606 -23.057 1.00 0.00 H ATOM 67 N PHE A 8 -3.686 5.073 -22.441 1.00 12.16 N ATOM 68 CA PHE A 8 -2.766 6.096 -22.803 1.00 13.14 C ATOM 69 C PHE A 8 -1.606 5.495 -23.638 1.00 13.42 C ATOM 70 O PHE A 8 -0.989 4.478 -23.193 1.00 14.09 O ATOM 71 CB PHE A 8 -2.085 6.665 -21.548 1.00 12.86 C ATOM 72 CG PHE A 8 -2.947 7.513 -20.578 1.00 12.63 C ATOM 73 CD1 PHE A 8 -4.212 7.916 -20.824 1.00 12.87 C ATOM 74 CD2 PHE A 8 -2.385 7.819 -19.338 1.00 12.97 C ATOM 75 CE1 PHE A 8 -4.926 8.680 -19.865 1.00 12.45 C ATOM 76 CE2 PHE A 8 -3.088 8.546 -18.437 1.00 12.75 C ATOM 77 CZ PHE A 8 -4.358 8.973 -18.673 1.00 12.20 C ATOM 78 H PHE A 8 -3.362 4.278 -21.854 1.00 0.00 H ATOM 79 N ASP A 9 -1.277 6.133 -24.734 1.00 12.38 N ATOM 80 CA ASP A 9 -0.120 5.810 -25.489 1.00 13.20 C ATOM 81 C ASP A 9 0.996 6.776 -25.061 1.00 12.89 C ATOM 82 O ASP A 9 0.838 8.028 -25.243 1.00 14.23 O ATOM 83 CB ASP A 9 -0.397 5.867 -26.973 1.00 15.83 C ATOM 84 CG ASP A 9 -1.141 4.674 -27.451 1.00 18.60 C ATOM 85 OD1 ASP A 9 -1.028 3.598 -26.816 1.00 17.30 O ATOM 86 OD2 ASP A 9 -1.819 4.820 -28.480 1.00 22.37 O ATOM 87 H ASP A 9 -1.888 6.907 -25.064 1.00 0.00 H ATOM 88 N ILE A 10 2.006 6.290 -24.402 1.00 12.20 N ATOM 89 CA ILE A 10 3.043 7.092 -23.792 1.00 13.49 C ATOM 90 C ILE A 10 4.219 7.336 -24.746 1.00 15.89 C ATOM 91 O ILE A 10 4.668 6.366 -25.453 1.00 14.65 O ATOM 92 CB ILE A 10 3.584 6.400 -22.504 1.00 13.44 C ATOM 93 CG1 ILE A 10 2.479 6.154 -21.473 1.00 13.78 C ATOM 94 CG2 ILE A 10 4.675 7.189 -21.844 1.00 14.40 C ATOM 95 CD1 ILE A 10 1.744 7.406 -20.974 1.00 14.71 C ATOM 96 H ILE A 10 2.072 5.256 -24.307 1.00 0.00 H ATOM 97 N ALA A 11 4.732 8.577 -24.738 1.00 13.54 N ATOM 98 CA ALA A 11 5.988 8.845 -25.436 1.00 15.09 C ATOM 99 C ALA A 11 7.030 9.467 -24.538 1.00 14.51 C ATOM 100 O ALA A 11 6.694 10.063 -23.514 1.00 14.69 O ATOM 101 CB ALA A 11 5.778 9.730 -26.629 1.00 17.17 C ATOM 102 H ALA A 11 4.238 9.343 -24.238 1.00 0.00 H ATOM 103 N VAL A 12 8.290 9.325 -24.862 1.00 14.30 N ATOM 104 CA VAL A 12 9.460 9.816 -24.067 1.00 14.86 C ATOM 105 C VAL A 12 10.270 10.693 -25.033 1.00 16.60 C ATOM 106 O VAL A 12 10.765 10.191 -26.073 1.00 18.76 O ATOM 107 CB VAL A 12 10.302 8.602 -23.615 1.00 15.66 C ATOM 108 CG1 VAL A 12 11.530 9.160 -22.903 1.00 16.77 C ATOM 109 CG2 VAL A 12 9.479 7.648 -22.770 1.00 16.75 C ATOM 110 H VAL A 12 8.497 8.827 -25.751 1.00 0.00 H ATOM 111 N ASP A 13 10.312 11.983 -24.801 1.00 16.50 N ATOM 112 CA ASP A 13 10.890 12.947 -25.745 1.00 18.23 C ATOM 113 C ASP A 13 10.354 12.712 -27.144 1.00 18.35 C ATOM 114 O ASP A 13 11.095 12.789 -28.140 1.00 20.40 O ATOM 115 CB ASP A 13 12.451 12.946 -25.720 1.00 19.92 C ATOM 116 CG ASP A 13 12.998 13.668 -24.472 1.00 23.98 C ATOM 117 OD1 ASP A 13 12.208 14.550 -23.878 1.00 22.03 O ATOM 118 OD2 ASP A 13 14.215 13.388 -24.101 1.00 29.62 O ATOM 119 H ASP A 13 9.918 12.339 -23.907 1.00 0.00 H ATOM 120 N GLY A 14 9.052 12.424 -27.256 1.00 16.79 N ATOM 121 CA GLY A 14 8.394 12.278 -28.569 1.00 19.74 C ATOM 122 C GLY A 14 8.494 10.834 -29.099 1.00 19.24 C ATOM 123 O GLY A 14 7.881 10.495 -30.084 1.00 24.21 O ATOM 124 H GLY A 14 8.487 12.299 -26.392 1.00 0.00 H ATOM 125 N GLU A 15 9.297 9.974 -28.525 1.00 21.44 N ATOM 126 CA GLU A 15 9.497 8.628 -29.042 1.00 19.61 C ATOM 127 C GLU A 15 8.478 7.672 -28.414 1.00 17.13 C ATOM 128 O GLU A 15 8.389 7.599 -27.171 1.00 16.52 O ATOM 129 CB GLU A 15 10.900 8.138 -28.742 1.00 24.35 C ATOM 130 CG GLU A 15 12.043 9.010 -29.271 1.00 34.13 C ATOM 131 CD GLU A 15 12.272 8.822 -30.747 1.00 42.38 C ATOM 132 OE1 GLU A 15 12.458 7.634 -31.112 1.00 47.10 O ATOM 133 OE2 GLU A 15 12.247 9.836 -31.522 1.00 42.25 O ATOM 134 H GLU A 15 9.811 10.263 -27.668 1.00 0.00 H ATOM 135 N PRO A 16 7.749 6.901 -29.208 1.00 17.14 N ATOM 136 CA PRO A 16 6.780 6.029 -28.576 1.00 19.65 C ATOM 137 C PRO A 16 7.326 5.007 -27.677 1.00 19.05 C ATOM 138 O PRO A 16 8.381 4.510 -27.934 1.00 20.49 O ATOM 139 CB PRO A 16 6.145 5.258 -29.746 1.00 20.33 C ATOM 140 CG PRO A 16 6.361 6.157 -30.919 1.00 24.39 C ATOM 141 CD PRO A 16 7.702 6.746 -30.686 1.00 21.65 C ATOM 142 N LEU A 17 6.683 4.749 -26.541 1.00 15.57 N ATOM 143 CA LEU A 17 7.154 3.851 -25.532 1.00 16.09 C ATOM 144 C LEU A 17 6.237 2.669 -25.498 1.00 15.28 C ATOM 145 O LEU A 17 6.707 1.554 -25.649 1.00 18.81 O ATOM 146 CB LEU A 17 7.217 4.507 -24.148 1.00 14.32 C ATOM 147 CG LEU A 17 7.624 3.681 -22.980 1.00 16.73 C ATOM 148 CD1 LEU A 17 9.026 3.000 -23.179 1.00 18.25 C ATOM 149 CD2 LEU A 17 7.542 4.502 -21.696 1.00 14.98 C ATOM 150 H LEU A 17 5.777 5.233 -26.376 1.00 0.00 H ATOM 151 N GLY A 18 4.956 2.859 -25.220 1.00 13.96 N ATOM 152 CA GLY A 18 4.024 1.760 -25.131 1.00 13.67 C ATOM 153 C GLY A 18 2.698 2.237 -24.677 1.00 12.77 C ATOM 154 O GLY A 18 2.541 3.425 -24.453 1.00 14.29 O ATOM 155 H GLY A 18 4.612 3.827 -25.061 1.00 0.00 H ATOM 156 N ARG A 19 1.797 1.317 -24.410 1.00 13.18 N ATOM 157 CA ARG A 19 0.421 1.612 -23.984 1.00 12.84 C ATOM 158 C ARG A 19 0.143 1.146 -22.594 1.00 12.48 C ATOM 159 O ARG A 19 0.569 0.045 -22.204 1.00 13.59 O ATOM 160 CB ARG A 19 -0.578 0.940 -24.949 1.00 11.84 C ATOM 161 CG ARG A 19 -2.030 1.069 -24.570 1.00 14.29 C ATOM 162 CD ARG A 19 -2.971 0.621 -25.663 1.00 13.67 C ATOM 163 NE ARG A 19 -2.989 1.523 -26.768 1.00 13.59 N ATOM 164 CZ ARG A 19 -3.912 1.536 -27.749 1.00 15.73 C ATOM 165 NH1 ARG A 19 -3.919 2.478 -28.637 1.00 17.28 N ATOM 166 NH2 ARG A 19 -4.832 0.593 -27.771 1.00 14.57 N ATOM 167 HE ARG A 19 -2.227 2.229 -26.821 1.00 0.00 H ATOM 168 HH12 ARG A 19 -4.637 2.478 -29.390 1.00 0.00 H ATOM 169 HH11 ARG A 19 -3.207 3.235 -28.598 1.00 0.00 H ATOM 170 HH22 ARG A 19 -5.553 0.587 -28.521 1.00 0.00 H ATOM 171 HH21 ARG A 19 -4.837 -0.145 -27.039 1.00 0.00 H ATOM 172 H ARG A 19 2.075 0.319 -24.506 1.00 0.00 H ATOM 173 N VAL A 20 -0.499 2.022 -21.795 1.00 12.42 N ATOM 174 CA VAL A 20 -1.027 1.684 -20.507 1.00 12.43 C ATOM 175 C VAL A 20 -2.531 1.688 -20.597 1.00 12.96 C ATOM 176 O VAL A 20 -3.101 2.695 -21.121 1.00 12.64 O ATOM 177 CB VAL A 20 -0.556 2.659 -19.405 1.00 13.53 C ATOM 178 CG1 VAL A 20 -1.038 2.169 -18.034 1.00 13.39 C ATOM 179 CG2 VAL A 20 0.933 2.760 -19.369 1.00 13.49 C ATOM 180 H VAL A 20 -0.618 2.998 -22.133 1.00 0.00 H ATOM 181 N SER A 21 -3.218 0.628 -20.177 1.00 11.79 N ATOM 182 CA SER A 21 -4.657 0.683 -20.071 1.00 13.52 C ATOM 183 C SER A 21 -5.093 0.669 -18.663 1.00 12.64 C ATOM 184 O SER A 21 -4.379 0.139 -17.808 1.00 14.12 O ATOM 185 CB SER A 21 -5.366 -0.394 -20.866 1.00 15.03 C ATOM 186 OG SER A 21 -5.045 -1.610 -20.284 1.00 16.66 O ATOM 187 HG SER A 21 -5.493 -2.340 -20.780 1.00 0.00 H ATOM 188 H SER A 21 -2.715 -0.246 -19.923 1.00 0.00 H ATOM 189 N PHE A 22 -6.329 1.155 -18.400 1.00 12.63 N ATOM 190 CA PHE A 22 -6.826 1.247 -17.073 1.00 12.34 C ATOM 191 C PHE A 22 -8.268 0.810 -17.060 1.00 14.03 C ATOM 192 O PHE A 22 -9.046 1.224 -17.944 1.00 15.35 O ATOM 193 CB PHE A 22 -6.855 2.758 -16.563 1.00 12.04 C ATOM 194 CG PHE A 22 -5.570 3.515 -16.716 1.00 13.12 C ATOM 195 CD1 PHE A 22 -4.632 3.501 -15.686 1.00 12.76 C ATOM 196 CD2 PHE A 22 -5.341 4.187 -17.814 1.00 13.81 C ATOM 197 CE1 PHE A 22 -3.432 4.217 -15.834 1.00 14.35 C ATOM 198 CE2 PHE A 22 -4.134 4.838 -17.987 1.00 15.23 C ATOM 199 CZ PHE A 22 -3.219 4.870 -16.976 1.00 14.43 C ATOM 200 H PHE A 22 -6.929 1.469 -19.189 1.00 0.00 H ATOM 201 N GLU A 23 -8.625 0.087 -16.008 1.00 12.29 N ATOM 202 CA GLU A 23 -10.005 -0.161 -15.666 1.00 14.07 C ATOM 203 C GLU A 23 -10.416 0.977 -14.750 1.00 14.69 C ATOM 204 O GLU A 23 -9.746 1.280 -13.737 1.00 13.42 O ATOM 205 CB GLU A 23 -10.151 -1.483 -14.938 1.00 15.49 C ATOM 206 CG GLU A 23 -11.592 -1.690 -14.531 1.00 17.48 C ATOM 207 CD GLU A 23 -11.834 -2.993 -13.742 1.00 19.99 C ATOM 208 OE1 GLU A 23 -10.917 -3.819 -13.467 1.00 23.59 O ATOM 209 OE2 GLU A 23 -13.046 -3.094 -13.353 1.00 24.80 O ATOM 210 H GLU A 23 -7.881 -0.318 -15.405 1.00 0.00 H ATOM 211 N LEU A 24 -11.570 1.513 -15.019 1.00 12.93 N ATOM 212 CA LEU A 24 -12.117 2.618 -14.235 1.00 13.27 C ATOM 213 C LEU A 24 -13.270 2.151 -13.453 1.00 13.05 C ATOM 214 O LEU A 24 -14.224 1.577 -14.055 1.00 15.83 O ATOM 215 CB LEU A 24 -12.589 3.829 -15.077 1.00 12.73 C ATOM 216 CG LEU A 24 -11.567 4.361 -16.060 1.00 12.88 C ATOM 217 CD1 LEU A 24 -12.099 5.552 -16.801 1.00 13.14 C ATOM 218 CD2 LEU A 24 -10.252 4.745 -15.384 1.00 13.30 C ATOM 219 H LEU A 24 -12.122 1.143 -15.819 1.00 0.00 H ATOM 220 N PHE A 25 -13.295 2.321 -12.128 1.00 14.54 N ATOM 221 CA PHE A 25 -14.288 1.697 -11.248 1.00 16.69 C ATOM 222 C PHE A 25 -15.588 2.475 -11.215 1.00 16.69 C ATOM 223 O PHE A 25 -15.941 3.010 -10.179 1.00 16.27 O ATOM 224 CB PHE A 25 -13.693 1.450 -9.886 1.00 16.78 C ATOM 225 CG PHE A 25 -12.484 0.596 -9.908 1.00 19.09 C ATOM 226 CD1 PHE A 25 -12.441 -0.640 -10.615 1.00 22.68 C ATOM 227 CD2 PHE A 25 -11.367 0.980 -9.196 1.00 21.34 C ATOM 228 CE1 PHE A 25 -11.245 -1.370 -10.634 1.00 24.96 C ATOM 229 CE2 PHE A 25 -10.248 0.220 -9.183 1.00 23.06 C ATOM 230 CZ PHE A 25 -10.188 -0.941 -9.878 1.00 23.13 C ATOM 231 H PHE A 25 -12.570 2.930 -11.697 1.00 0.00 H ATOM 232 N ALA A 26 -16.282 2.552 -12.338 1.00 15.04 N ATOM 233 CA ALA A 26 -17.515 3.200 -12.438 1.00 15.26 C ATOM 234 C ALA A 26 -18.592 2.632 -11.514 1.00 16.27 C ATOM 235 O ALA A 26 -19.495 3.344 -11.089 1.00 19.11 O ATOM 236 CB ALA A 26 -18.049 3.219 -13.852 1.00 17.96 C ATOM 237 H ALA A 26 -15.889 2.107 -13.192 1.00 0.00 H ATOM 238 N ASP A 27 -18.476 1.367 -11.261 1.00 16.54 N ATOM 239 CA ASP A 27 -19.389 0.697 -10.326 1.00 19.42 C ATOM 240 C ASP A 27 -19.296 1.250 -8.917 1.00 20.96 C ATOM 241 O ASP A 27 -20.256 1.200 -8.202 1.00 23.90 O ATOM 242 CB ASP A 27 -19.163 -0.867 -10.316 1.00 21.56 C ATOM 243 CG ASP A 27 -17.768 -1.266 -10.046 1.00 25.69 C ATOM 244 OD1 ASP A 27 -16.826 -0.462 -10.161 1.00 25.23 O ATOM 245 OD2 ASP A 27 -17.537 -2.447 -9.750 1.00 37.39 O ATOM 246 H ASP A 27 -17.726 0.818 -11.727 1.00 0.00 H ATOM 247 N LYS A 28 -18.126 1.766 -8.491 1.00 18.09 N ATOM 248 CA LYS A 28 -17.967 2.270 -7.144 1.00 19.24 C ATOM 249 C LYS A 28 -17.864 3.767 -7.041 1.00 16.46 C ATOM 250 O LYS A 28 -18.235 4.351 -6.002 1.00 16.28 O ATOM 251 CB LYS A 28 -16.730 1.631 -6.498 1.00 23.19 C ATOM 252 CG LYS A 28 -16.997 0.131 -6.264 1.00 28.32 C ATOM 253 CD LYS A 28 -15.876 -0.609 -5.589 1.00 32.83 C ATOM 254 CE LYS A 28 -16.228 -2.080 -5.480 1.00 36.26 C ATOM 255 NZ LYS A 28 -15.823 -2.794 -6.733 1.00 38.46 N ATOM 256 HZ1 LYS A 28 -16.324 -2.379 -7.544 1.00 0.00 H ATOM 257 HZ2 LYS A 28 -14.797 -2.695 -6.871 1.00 0.00 H ATOM 258 HZ3 LYS A 28 -16.067 -3.802 -6.651 1.00 0.00 H ATOM 259 H LYS A 28 -17.319 1.803 -9.146 1.00 0.00 H ATOM 260 N VAL A 29 -17.327 4.393 -8.086 1.00 14.78 N ATOM 261 CA VAL A 29 -17.076 5.850 -8.069 1.00 16.14 C ATOM 262 C VAL A 29 -17.454 6.404 -9.417 1.00 13.96 C ATOM 263 O VAL A 29 -16.618 6.928 -10.246 1.00 14.10 O ATOM 264 CB VAL A 29 -15.607 6.279 -7.716 1.00 17.04 C ATOM 265 CG1 VAL A 29 -15.401 6.533 -6.266 1.00 17.40 C ATOM 266 CG2 VAL A 29 -14.606 5.394 -8.344 1.00 18.28 C ATOM 267 H VAL A 29 -17.078 3.845 -8.934 1.00 0.00 H ATOM 268 N PRO A 30 -18.748 6.341 -9.775 1.00 14.66 N ATOM 269 CA PRO A 30 -19.108 6.703 -11.144 1.00 13.87 C ATOM 270 C PRO A 30 -18.745 8.151 -11.518 1.00 13.34 C ATOM 271 O PRO A 30 -18.398 8.386 -12.699 1.00 13.84 O ATOM 272 CB PRO A 30 -20.664 6.496 -11.143 1.00 16.38 C ATOM 273 CG PRO A 30 -21.046 6.569 -9.613 1.00 15.29 C ATOM 274 CD PRO A 30 -19.905 5.897 -8.942 1.00 15.67 C ATOM 275 N LYS A 31 -18.933 9.088 -10.609 1.00 13.56 N ATOM 276 CA LYS A 31 -18.696 10.481 -11.028 1.00 13.40 C ATOM 277 C LYS A 31 -17.174 10.773 -11.334 1.00 13.06 C ATOM 278 O LYS A 31 -16.831 11.396 -12.327 1.00 12.44 O ATOM 279 CB LYS A 31 -19.119 11.426 -9.892 1.00 15.23 C ATOM 280 CG LYS A 31 -19.117 12.837 -10.355 1.00 16.10 C ATOM 281 CD LYS A 31 -19.689 13.855 -9.358 1.00 17.82 C ATOM 282 CE LYS A 31 -19.662 15.332 -9.744 1.00 17.57 C ATOM 283 NZ LYS A 31 -20.534 16.081 -8.834 1.00 19.48 N ATOM 284 HZ1 LYS A 31 -21.505 15.717 -8.908 1.00 0.00 H ATOM 285 HZ2 LYS A 31 -20.194 15.967 -7.858 1.00 0.00 H ATOM 286 HZ3 LYS A 31 -20.519 17.088 -9.092 1.00 0.00 H ATOM 287 H LYS A 31 -19.235 8.855 -9.641 1.00 0.00 H ATOM 288 N THR A 32 -16.314 10.141 -10.513 1.00 13.78 N ATOM 289 CA THR A 32 -14.842 10.306 -10.662 1.00 12.91 C ATOM 290 C THR A 32 -14.403 9.513 -11.897 1.00 12.75 C ATOM 291 O THR A 32 -13.600 9.991 -12.706 1.00 12.56 O ATOM 292 CB THR A 32 -14.179 9.860 -9.395 1.00 11.91 C ATOM 293 OG1 THR A 32 -14.727 10.578 -8.287 1.00 12.87 O ATOM 294 CG2 THR A 32 -12.702 10.067 -9.423 1.00 10.47 C ATOM 295 HG1 THR A 32 -15.699 10.402 -8.229 1.00 0.00 H ATOM 296 H THR A 32 -16.685 9.526 -9.761 1.00 0.00 H ATOM 297 N ALA A 33 -14.947 8.305 -12.078 1.00 12.07 N ATOM 298 CA ALA A 33 -14.596 7.524 -13.247 1.00 13.98 C ATOM 299 C ALA A 33 -14.972 8.192 -14.511 1.00 12.34 C ATOM 300 O ALA A 33 -14.207 8.185 -15.514 1.00 12.54 O ATOM 301 CB ALA A 33 -15.206 6.122 -13.133 1.00 13.69 C ATOM 302 H ALA A 33 -15.620 7.927 -11.381 1.00 0.00 H ATOM 303 N GLU A 34 -16.163 8.788 -14.540 1.00 12.02 N ATOM 304 CA GLU A 34 -16.633 9.461 -15.729 1.00 13.88 C ATOM 305 C GLU A 34 -15.832 10.690 -16.124 1.00 12.81 C ATOM 306 O GLU A 34 -15.584 10.960 -17.302 1.00 14.69 O ATOM 307 CB GLU A 34 -18.114 9.856 -15.531 1.00 15.48 C ATOM 308 CG GLU A 34 -18.696 10.718 -16.645 1.00 15.92 C ATOM 309 CD GLU A 34 -18.743 10.057 -18.039 1.00 18.60 C ATOM 310 OE1 GLU A 34 -18.549 8.833 -18.154 1.00 16.27 O ATOM 311 OE2 GLU A 34 -18.931 10.841 -18.983 1.00 21.18 O ATOM 312 H GLU A 34 -16.765 8.769 -13.692 1.00 0.00 H ATOM 313 N ASN A 35 -15.357 11.417 -15.142 1.00 13.21 N ATOM 314 CA ASN A 35 -14.470 12.550 -15.438 1.00 12.78 C ATOM 315 C ASN A 35 -13.165 12.051 -16.104 1.00 12.63 C ATOM 316 O ASN A 35 -12.849 12.581 -17.163 1.00 13.35 O ATOM 317 CB ASN A 35 -14.101 13.149 -14.105 1.00 13.40 C ATOM 318 CG ASN A 35 -13.190 14.346 -14.215 1.00 12.82 C ATOM 319 OD1 ASN A 35 -13.467 15.335 -14.891 1.00 14.49 O ATOM 320 ND2 ASN A 35 -11.996 14.277 -13.561 1.00 13.15 N ATOM 321 HD22 ASN A 35 -11.764 13.440 -12.990 1.00 0.00 H ATOM 322 HD21 ASN A 35 -11.317 15.062 -13.633 1.00 0.00 H ATOM 323 H ASN A 35 -15.607 11.193 -14.158 1.00 0.00 H ATOM 324 N PHE A 36 -12.562 11.007 -15.596 1.00 11.80 N ATOM 325 CA PHE A 36 -11.308 10.518 -16.173 1.00 12.32 C ATOM 326 C PHE A 36 -11.587 9.995 -17.584 1.00 12.36 C ATOM 327 O PHE A 36 -10.814 10.173 -18.530 1.00 13.25 O ATOM 328 CB PHE A 36 -10.685 9.431 -15.297 1.00 11.42 C ATOM 329 CG PHE A 36 -9.267 9.015 -15.674 1.00 12.19 C ATOM 330 CD1 PHE A 36 -8.145 9.693 -15.181 1.00 12.85 C ATOM 331 CD2 PHE A 36 -9.051 7.982 -16.565 1.00 13.23 C ATOM 332 CE1 PHE A 36 -6.883 9.283 -15.509 1.00 12.34 C ATOM 333 CE2 PHE A 36 -7.833 7.572 -16.845 1.00 13.07 C ATOM 334 CZ PHE A 36 -6.722 8.195 -16.340 1.00 12.78 C ATOM 335 H PHE A 36 -12.977 10.520 -14.776 1.00 0.00 H ATOM 336 N ARG A 37 -12.687 9.221 -17.677 1.00 11.78 N ATOM 337 CA ARG A 37 -13.003 8.700 -19.028 1.00 14.25 C ATOM 338 C ARG A 37 -13.167 9.746 -20.070 1.00 12.90 C ATOM 339 O ARG A 37 -12.609 9.654 -21.159 1.00 14.28 O ATOM 340 CB ARG A 37 -14.307 7.895 -18.913 1.00 13.06 C ATOM 341 CG ARG A 37 -14.630 7.068 -20.166 1.00 14.59 C ATOM 342 CD ARG A 37 -16.109 6.652 -20.232 1.00 15.79 C ATOM 343 NE ARG A 37 -16.961 7.854 -20.334 1.00 17.01 N ATOM 344 CZ ARG A 37 -17.102 8.604 -21.434 1.00 18.20 C ATOM 345 NH1 ARG A 37 -16.611 8.247 -22.637 1.00 16.96 N ATOM 346 NH2 ARG A 37 -17.846 9.676 -21.402 1.00 21.10 N ATOM 347 HE ARG A 37 -17.492 8.140 -19.487 1.00 0.00 H ATOM 348 HH12 ARG A 37 -16.749 8.868 -23.460 1.00 0.00 H ATOM 349 HH11 ARG A 37 -16.094 7.351 -22.742 1.00 0.00 H ATOM 350 HH22 ARG A 37 -17.956 10.259 -22.256 1.00 0.00 H ATOM 351 HH21 ARG A 37 -18.329 9.948 -20.522 1.00 0.00 H ATOM 352 H ARG A 37 -13.279 9.003 -16.850 1.00 0.00 H ATOM 353 N ALA A 38 -13.997 10.715 -19.796 1.00 13.10 N ATOM 354 CA ALA A 38 -14.246 11.858 -20.689 1.00 14.36 C ATOM 355 C ALA A 38 -13.041 12.708 -20.981 1.00 13.58 C ATOM 356 O ALA A 38 -12.859 13.128 -22.140 1.00 14.17 O ATOM 357 CB ALA A 38 -15.365 12.720 -20.191 1.00 15.22 C ATOM 358 H ALA A 38 -14.513 10.677 -18.894 1.00 0.00 H ATOM 359 N LEU A 39 -12.149 12.865 -19.985 1.00 13.21 N ATOM 360 CA LEU A 39 -10.884 13.598 -20.277 1.00 13.52 C ATOM 361 C LEU A 39 -9.984 12.766 -21.186 1.00 13.22 C ATOM 362 O LEU A 39 -9.117 13.279 -21.934 1.00 13.63 O ATOM 363 CB LEU A 39 -10.246 13.936 -18.978 1.00 13.78 C ATOM 364 CG LEU A 39 -10.969 15.014 -18.134 1.00 13.90 C ATOM 365 CD1 LEU A 39 -10.390 15.148 -16.777 1.00 14.97 C ATOM 366 CD2 LEU A 39 -11.052 16.419 -18.770 1.00 14.30 C ATOM 367 H LEU A 39 -12.338 12.485 -19.036 1.00 0.00 H ATOM 368 N SER A 40 -10.098 11.480 -21.088 1.00 13.68 N ATOM 369 CA SER A 40 -9.266 10.575 -21.882 1.00 14.51 C ATOM 370 C SER A 40 -9.748 10.504 -23.350 1.00 13.76 C ATOM 371 O SER A 40 -8.953 10.264 -24.252 1.00 16.03 O ATOM 372 CB SER A 40 -9.232 9.157 -21.274 1.00 15.21 C ATOM 373 OG SER A 40 -8.610 9.152 -20.012 1.00 13.17 O ATOM 374 HG SER A 40 -9.109 9.745 -19.397 1.00 0.00 H ATOM 375 H SER A 40 -10.797 11.081 -20.430 1.00 0.00 H ATOM 376 N THR A 41 -11.083 10.691 -23.583 1.00 14.72 N ATOM 377 CA THR A 41 -11.540 10.689 -24.962 1.00 16.99 C ATOM 378 C THR A 41 -11.482 12.027 -25.557 1.00 17.14 C ATOM 379 O THR A 41 -11.532 12.136 -26.786 1.00 21.08 O ATOM 380 CB THR A 41 -12.999 10.174 -25.053 1.00 15.81 C ATOM 381 OG1 THR A 41 -13.843 11.128 -24.448 1.00 17.00 O ATOM 382 CG2 THR A 41 -13.253 8.695 -24.543 1.00 15.72 C ATOM 383 HG1 THR A 41 -14.781 10.815 -24.497 1.00 0.00 H ATOM 384 H THR A 41 -11.750 10.830 -22.797 1.00 0.00 H ATOM 385 N GLY A 42 -11.547 13.088 -24.723 1.00 15.07 N ATOM 386 CA GLY A 42 -11.520 14.498 -25.099 1.00 17.43 C ATOM 387 C GLY A 42 -12.891 14.944 -25.592 1.00 19.92 C ATOM 388 O GLY A 42 -13.021 16.011 -26.127 1.00 21.78 O ATOM 389 H GLY A 42 -11.624 12.878 -23.707 1.00 0.00 H ATOM 390 N GLU A 43 -13.930 14.170 -25.289 1.00 18.05 N ATOM 391 CA GLU A 43 -15.252 14.490 -25.861 1.00 18.23 C ATOM 392 C GLU A 43 -15.874 15.799 -25.419 1.00 21.07 C ATOM 393 O GLU A 43 -16.812 16.243 -26.124 1.00 22.82 O ATOM 394 CB GLU A 43 -16.162 13.279 -25.714 1.00 18.00 C ATOM 395 CG GLU A 43 -16.532 13.065 -24.246 1.00 16.55 C ATOM 396 CD GLU A 43 -17.151 11.714 -24.024 1.00 18.95 C ATOM 397 OE1 GLU A 43 -16.561 10.639 -24.252 1.00 20.05 O ATOM 398 OE2 GLU A 43 -18.364 11.715 -23.630 1.00 22.20 O ATOM 399 H GLU A 43 -13.812 13.352 -24.658 1.00 0.00 H ATOM 400 N LYS A 44 -15.428 16.422 -24.331 1.00 17.46 N ATOM 401 CA LYS A 44 -15.956 17.761 -23.897 1.00 18.33 C ATOM 402 C LYS A 44 -15.202 18.838 -24.527 1.00 18.81 C ATOM 403 O LYS A 44 -15.499 19.941 -24.240 1.00 22.41 O ATOM 404 CB LYS A 44 -15.971 17.946 -22.349 1.00 19.97 C ATOM 405 CG LYS A 44 -16.620 16.806 -21.610 1.00 24.33 C ATOM 406 CD LYS A 44 -18.074 16.572 -21.915 1.00 25.24 C ATOM 407 CE LYS A 44 -18.578 15.407 -21.100 1.00 31.19 C ATOM 408 NZ LYS A 44 -19.954 15.087 -21.559 1.00 32.69 N ATOM 409 HZ1 LYS A 44 -20.566 15.916 -21.419 1.00 0.00 H ATOM 410 HZ2 LYS A 44 -19.932 14.837 -22.568 1.00 0.00 H ATOM 411 HZ3 LYS A 44 -20.323 14.285 -21.010 1.00 0.00 H ATOM 412 H LYS A 44 -14.688 15.966 -23.760 1.00 0.00 H ATOM 413 N GLY A 45 -14.156 18.537 -25.281 1.00 18.89 N ATOM 414 CA GLY A 45 -13.392 19.562 -25.994 1.00 19.81 C ATOM 415 C GLY A 45 -12.083 19.878 -25.302 1.00 19.45 C ATOM 416 O GLY A 45 -11.390 20.812 -25.659 1.00 19.72 O ATOM 417 H GLY A 45 -13.868 17.541 -25.369 1.00 0.00 H ATOM 418 N PHE A 46 -11.700 19.060 -24.284 1.00 18.01 N ATOM 419 CA PHE A 46 -10.492 19.280 -23.501 1.00 15.95 C ATOM 420 C PHE A 46 -10.196 17.970 -22.793 1.00 16.19 C ATOM 421 O PHE A 46 -11.006 17.051 -22.715 1.00 16.90 O ATOM 422 CB PHE A 46 -10.572 20.451 -22.508 1.00 17.00 C ATOM 423 CG PHE A 46 -11.703 20.330 -21.540 1.00 18.78 C ATOM 424 CD1 PHE A 46 -11.624 19.631 -20.330 1.00 18.29 C ATOM 425 CD2 PHE A 46 -12.920 20.949 -21.860 1.00 18.35 C ATOM 426 CE1 PHE A 46 -12.756 19.529 -19.489 1.00 20.73 C ATOM 427 CE2 PHE A 46 -14.002 20.881 -21.025 1.00 20.39 C ATOM 428 CZ PHE A 46 -13.946 20.213 -19.841 1.00 17.96 C ATOM 429 H PHE A 46 -12.297 18.240 -24.055 1.00 0.00 H ATOM 430 N GLY A 47 -8.922 17.812 -22.436 1.00 14.62 N ATOM 431 CA GLY A 47 -8.542 16.550 -21.788 1.00 14.80 C ATOM 432 C GLY A 47 -7.092 16.303 -21.843 1.00 12.66 C ATOM 433 O GLY A 47 -6.248 17.158 -22.102 1.00 14.21 O ATOM 434 H GLY A 47 -8.219 18.558 -22.611 1.00 0.00 H ATOM 435 N TYR A 48 -6.722 15.013 -21.716 1.00 12.20 N ATOM 436 CA TYR A 48 -5.341 14.574 -21.452 1.00 13.28 C ATOM 437 C TYR A 48 -4.441 14.464 -22.683 1.00 12.78 C ATOM 438 O TYR A 48 -3.227 14.396 -22.522 1.00 13.18 O ATOM 439 CB TYR A 48 -5.340 13.222 -20.713 1.00 13.61 C ATOM 440 CG TYR A 48 -6.036 13.212 -19.373 1.00 13.12 C ATOM 441 CD1 TYR A 48 -5.825 14.195 -18.437 1.00 13.32 C ATOM 442 CD2 TYR A 48 -6.888 12.195 -19.028 1.00 13.74 C ATOM 443 CE1 TYR A 48 -6.413 14.159 -17.180 1.00 11.44 C ATOM 444 CE2 TYR A 48 -7.478 12.129 -17.810 1.00 12.42 C ATOM 445 CZ TYR A 48 -7.210 13.076 -16.849 1.00 12.45 C ATOM 446 OH TYR A 48 -7.794 13.045 -15.588 1.00 13.03 O ATOM 447 HH TYR A 48 -7.467 13.813 -15.055 1.00 0.00 H ATOM 448 H TYR A 48 -7.457 14.283 -21.810 1.00 0.00 H ATOM 449 N LYS A 49 -5.004 14.325 -23.895 1.00 13.05 N ATOM 450 CA LYS A 49 -4.125 14.103 -25.049 1.00 14.68 C ATOM 451 C LYS A 49 -3.088 15.200 -25.186 1.00 13.60 C ATOM 452 O LYS A 49 -3.455 16.414 -25.183 1.00 13.62 O ATOM 453 CB LYS A 49 -4.935 14.004 -26.324 1.00 16.35 C ATOM 454 CG LYS A 49 -4.083 13.655 -27.511 1.00 17.93 C ATOM 455 CD LYS A 49 -4.934 13.325 -28.782 1.00 20.14 C ATOM 456 CE LYS A 49 -4.005 12.977 -29.936 1.00 26.02 C ATOM 457 NZ LYS A 49 -4.687 12.177 -31.003 1.00 30.11 N ATOM 458 HZ1 LYS A 49 -5.039 11.287 -30.596 1.00 0.00 H ATOM 459 HZ2 LYS A 49 -5.484 12.723 -31.388 1.00 0.00 H ATOM 460 HZ3 LYS A 49 -4.010 11.968 -31.764 1.00 0.00 H ATOM 461 H LYS A 49 -6.036 14.373 -24.012 1.00 0.00 H ATOM 462 N GLY A 50 -1.819 14.856 -25.247 1.00 13.05 N ATOM 463 CA GLY A 50 -0.693 15.747 -25.370 1.00 13.39 C ATOM 464 C GLY A 50 -0.129 16.266 -24.082 1.00 12.50 C ATOM 465 O GLY A 50 0.880 16.963 -24.112 1.00 14.51 O ATOM 466 H GLY A 50 -1.608 13.839 -25.202 1.00 0.00 H ATOM 467 N SER A 51 -0.730 15.932 -22.972 1.00 12.24 N ATOM 468 CA SER A 51 -0.327 16.367 -21.667 1.00 12.63 C ATOM 469 C SER A 51 0.857 15.542 -21.191 1.00 12.17 C ATOM 470 O SER A 51 1.212 14.508 -21.767 1.00 13.85 O ATOM 471 CB SER A 51 -1.509 16.427 -20.660 1.00 13.68 C ATOM 472 OG SER A 51 -1.919 15.112 -20.294 1.00 14.08 O ATOM 473 HG SER A 51 -2.209 14.621 -21.103 1.00 0.00 H ATOM 474 H SER A 51 -1.559 15.307 -23.039 1.00 0.00 H ATOM 475 N CYS A 52 1.420 15.961 -20.100 1.00 13.82 N ATOM 476 CA CYS A 52 2.674 15.454 -19.577 1.00 15.45 C ATOM 477 C CYS A 52 2.536 14.778 -18.183 1.00 12.37 C ATOM 478 O CYS A 52 1.677 15.182 -17.388 1.00 12.74 O ATOM 479 CB CYS A 52 3.453 16.720 -19.328 1.00 21.24 C ATOM 480 SG CYS A 52 4.980 16.868 -18.448 1.00 26.82 S ATOM 481 H CYS A 52 0.939 16.712 -19.564 1.00 0.00 H ATOM 482 N PHE A 53 3.391 13.813 -17.880 1.00 11.27 N ATOM 483 CA PHE A 53 3.584 13.373 -16.509 1.00 11.37 C ATOM 484 C PHE A 53 4.683 14.284 -15.912 1.00 13.53 C ATOM 485 O PHE A 53 5.868 14.037 -16.084 1.00 13.67 O ATOM 486 CB PHE A 53 3.916 11.878 -16.443 1.00 11.47 C ATOM 487 CG PHE A 53 2.780 10.977 -16.585 1.00 11.61 C ATOM 488 CD1 PHE A 53 2.317 10.633 -17.860 1.00 12.47 C ATOM 489 CD2 PHE A 53 2.110 10.519 -15.474 1.00 13.75 C ATOM 490 CE1 PHE A 53 1.223 9.833 -17.952 1.00 12.16 C ATOM 491 CE2 PHE A 53 1.001 9.728 -15.568 1.00 12.48 C ATOM 492 CZ PHE A 53 0.600 9.352 -16.834 1.00 13.41 C ATOM 493 H PHE A 53 3.937 13.360 -18.641 1.00 0.00 H ATOM 494 N HIS A 54 4.291 15.296 -15.194 1.00 13.25 N ATOM 495 CA HIS A 54 5.176 16.404 -14.788 1.00 13.63 C ATOM 496 C HIS A 54 5.897 16.062 -13.503 1.00 15.08 C ATOM 497 O HIS A 54 6.920 16.714 -13.198 1.00 14.72 O ATOM 498 CB HIS A 54 4.456 17.713 -14.635 1.00 15.36 C ATOM 499 CG HIS A 54 3.462 17.684 -13.544 1.00 12.68 C ATOM 500 ND1 HIS A 54 2.168 17.257 -13.726 1.00 13.22 N ATOM 501 CD2 HIS A 54 3.594 17.978 -12.230 1.00 15.22 C ATOM 502 CE1 HIS A 54 1.572 17.260 -12.550 1.00 14.44 C ATOM 503 NE2 HIS A 54 2.403 17.709 -11.640 1.00 14.67 N ATOM 504 H HIS A 54 3.297 15.325 -14.889 1.00 0.00 H ATOM 505 N ARG A 55 5.449 15.082 -12.738 1.00 12.18 N ATOM 506 CA ARG A 55 6.115 14.734 -11.505 1.00 13.34 C ATOM 507 C ARG A 55 6.150 13.214 -11.376 1.00 11.82 C ATOM 508 O ARG A 55 5.083 12.531 -11.289 1.00 13.72 O ATOM 509 CB ARG A 55 5.359 15.433 -10.340 1.00 13.70 C ATOM 510 CG ARG A 55 5.946 15.139 -8.988 1.00 16.38 C ATOM 511 CD ARG A 55 5.263 16.023 -7.971 1.00 19.64 C ATOM 512 NE ARG A 55 5.493 15.657 -6.578 1.00 28.59 N ATOM 513 CZ ARG A 55 6.446 16.138 -5.835 1.00 27.27 C ATOM 514 NH1 ARG A 55 7.264 17.031 -6.385 1.00 33.54 N ATOM 515 NH2 ARG A 55 6.616 15.764 -4.531 1.00 22.77 N ATOM 516 HE ARG A 55 4.849 14.962 -6.148 1.00 0.00 H ATOM 517 HH12 ARG A 55 8.039 17.440 -5.825 1.00 0.00 H ATOM 518 HH11 ARG A 55 7.128 17.320 -7.375 1.00 0.00 H ATOM 519 HH22 ARG A 55 7.391 16.172 -3.970 1.00 0.00 H ATOM 520 HH21 ARG A 55 5.971 15.072 -4.100 1.00 0.00 H ATOM 521 H ARG A 55 4.602 14.552 -13.029 1.00 0.00 H ATOM 522 N ILE A 56 7.331 12.626 -11.406 1.00 11.38 N ATOM 523 CA ILE A 56 7.514 11.150 -11.308 1.00 11.03 C ATOM 524 C ILE A 56 8.549 10.897 -10.241 1.00 12.02 C ATOM 525 O ILE A 56 9.676 11.373 -10.403 1.00 11.80 O ATOM 526 CB ILE A 56 7.921 10.521 -12.662 1.00 10.73 C ATOM 527 CG1 ILE A 56 6.847 10.723 -13.735 1.00 11.43 C ATOM 528 CG2 ILE A 56 8.189 9.079 -12.494 1.00 11.34 C ATOM 529 CD1 ILE A 56 7.129 10.224 -15.064 1.00 12.94 C ATOM 530 H ILE A 56 8.177 13.223 -11.503 1.00 0.00 H ATOM 531 N ILE A 57 8.148 10.215 -9.163 1.00 11.68 N ATOM 532 CA ILE A 57 8.989 9.860 -8.055 1.00 12.07 C ATOM 533 C ILE A 57 9.085 8.311 -8.048 1.00 12.20 C ATOM 534 O ILE A 57 8.130 7.653 -7.617 1.00 12.58 O ATOM 535 CB ILE A 57 8.497 10.433 -6.739 1.00 12.71 C ATOM 536 CG1 ILE A 57 8.457 11.947 -6.863 1.00 12.38 C ATOM 537 CG2 ILE A 57 9.434 10.003 -5.578 1.00 14.20 C ATOM 538 CD1 ILE A 57 7.755 12.678 -5.712 1.00 14.55 C ATOM 539 H ILE A 57 7.152 9.919 -9.124 1.00 0.00 H ATOM 540 N PRO A 58 10.286 7.786 -8.347 1.00 12.59 N ATOM 541 CA PRO A 58 10.379 6.376 -8.312 1.00 12.92 C ATOM 542 C PRO A 58 10.154 5.807 -6.931 1.00 14.88 C ATOM 543 O PRO A 58 10.512 6.431 -5.900 1.00 14.92 O ATOM 544 CB PRO A 58 11.839 6.145 -8.761 1.00 14.66 C ATOM 545 CG PRO A 58 12.117 7.182 -9.609 1.00 14.27 C ATOM 546 CD PRO A 58 11.469 8.416 -8.981 1.00 14.24 C ATOM 547 N GLY A 59 9.481 4.670 -6.843 1.00 13.70 N ATOM 548 CA GLY A 59 9.137 4.146 -5.528 1.00 14.99 C ATOM 549 C GLY A 59 7.895 4.806 -4.912 1.00 13.60 C ATOM 550 O GLY A 59 7.645 4.615 -3.742 1.00 14.69 O ATOM 551 H GLY A 59 9.201 4.157 -7.703 1.00 0.00 H ATOM 552 N PHE A 60 7.194 5.681 -5.644 1.00 13.06 N ATOM 553 CA PHE A 60 6.001 6.393 -5.143 1.00 12.08 C ATOM 554 C PHE A 60 4.899 6.489 -6.158 1.00 12.85 C ATOM 555 O PHE A 60 3.922 5.725 -6.089 1.00 12.77 O ATOM 556 CB PHE A 60 6.475 7.741 -4.563 1.00 12.89 C ATOM 557 CG PHE A 60 5.430 8.593 -3.995 1.00 12.24 C ATOM 558 CD1 PHE A 60 4.180 8.109 -3.604 1.00 13.37 C ATOM 559 CD2 PHE A 60 5.701 9.963 -3.855 1.00 14.82 C ATOM 560 CE1 PHE A 60 3.217 8.970 -3.055 1.00 14.23 C ATOM 561 CE2 PHE A 60 4.778 10.809 -3.298 1.00 15.72 C ATOM 562 CZ PHE A 60 3.556 10.331 -2.923 1.00 14.73 C ATOM 563 H PHE A 60 7.506 5.869 -6.618 1.00 0.00 H ATOM 564 N MET A 61 5.052 7.337 -7.145 1.00 12.02 N ATOM 565 CA MET A 61 3.969 7.569 -8.069 1.00 12.19 C ATOM 566 C MET A 61 4.417 8.322 -9.310 1.00 12.74 C ATOM 567 O MET A 61 5.478 8.964 -9.346 1.00 12.49 O ATOM 568 CB MET A 61 2.865 8.360 -7.357 1.00 12.88 C ATOM 569 CG MET A 61 3.349 9.666 -6.810 1.00 13.53 C ATOM 570 SD MET A 61 2.916 10.891 -7.967 1.00 12.70 S ATOM 571 CE MET A 61 3.290 12.335 -7.007 1.00 15.29 C ATOM 572 H MET A 61 5.953 7.842 -7.262 1.00 0.00 H ATOM 573 N CYS A 62 3.575 8.250 -10.331 1.00 12.05 N ATOM 574 CA CYS A 62 3.659 9.067 -11.510 1.00 12.22 C ATOM 575 C CYS A 62 2.454 10.024 -11.571 1.00 10.54 C ATOM 576 O CYS A 62 1.333 9.517 -11.595 1.00 12.95 O ATOM 577 CB CYS A 62 3.667 8.249 -12.793 1.00 11.72 C ATOM 578 SG CYS A 62 4.990 7.013 -12.917 1.00 14.37 S ATOM 579 H CYS A 62 2.802 7.556 -10.275 1.00 0.00 H ATOM 580 N GLN A 63 2.597 11.341 -11.617 1.00 10.76 N ATOM 581 CA GLN A 63 1.461 12.250 -11.623 1.00 10.90 C ATOM 582 C GLN A 63 1.367 12.984 -12.920 1.00 10.49 C ATOM 583 O GLN A 63 2.400 13.509 -13.422 1.00 11.73 O ATOM 584 CB GLN A 63 1.604 13.229 -10.455 1.00 13.87 C ATOM 585 CG GLN A 63 0.445 14.236 -10.331 1.00 13.65 C ATOM 586 CD GLN A 63 0.460 15.036 -9.058 1.00 16.25 C ATOM 587 OE1 GLN A 63 0.968 14.562 -8.071 1.00 19.69 O ATOM 588 NE2 GLN A 63 -0.122 16.219 -9.050 1.00 14.91 N ATOM 589 HE22 GLN A 63 -0.549 16.594 -9.921 1.00 0.00 H ATOM 590 HE21 GLN A 63 -0.154 16.777 -8.173 1.00 0.00 H ATOM 591 H GLN A 63 3.557 11.739 -11.650 1.00 0.00 H ATOM 592 N GLY A 64 0.105 13.208 -13.387 1.00 10.11 N ATOM 593 CA GLY A 64 -0.133 13.854 -14.631 1.00 10.29 C ATOM 594 C GLY A 64 -1.508 14.544 -14.595 1.00 9.52 C ATOM 595 O GLY A 64 -2.065 14.758 -13.528 1.00 10.47 O ATOM 596 H GLY A 64 -0.707 12.897 -12.816 1.00 0.00 H ATOM 597 N GLY A 65 -1.941 14.951 -15.761 1.00 10.96 N ATOM 598 CA GLY A 65 -3.230 15.525 -15.969 1.00 11.15 C ATOM 599 C GLY A 65 -3.412 17.023 -15.895 1.00 10.77 C ATOM 600 O GLY A 65 -4.565 17.447 -15.998 1.00 11.79 O ATOM 601 H GLY A 65 -1.310 14.850 -16.582 1.00 0.00 H ATOM 602 N ASP A 66 -2.316 17.774 -15.707 1.00 10.59 N ATOM 603 CA ASP A 66 -2.415 19.259 -15.683 1.00 11.10 C ATOM 604 C ASP A 66 -2.276 19.824 -17.110 1.00 11.08 C ATOM 605 O ASP A 66 -1.167 20.174 -17.530 1.00 12.53 O ATOM 606 CB ASP A 66 -1.360 19.850 -14.787 1.00 11.88 C ATOM 607 CG ASP A 66 -1.518 21.342 -14.618 1.00 12.29 C ATOM 608 OD1 ASP A 66 -2.364 21.886 -15.350 1.00 12.59 O ATOM 609 OD2 ASP A 66 -0.717 21.899 -13.825 1.00 12.68 O ATOM 610 H ASP A 66 -1.392 17.316 -15.577 1.00 0.00 H ATOM 611 N PHE A 67 -3.391 19.883 -17.836 1.00 11.66 N ATOM 612 CA PHE A 67 -3.415 20.314 -19.210 1.00 11.33 C ATOM 613 C PHE A 67 -3.645 21.838 -19.270 1.00 11.29 C ATOM 614 O PHE A 67 -3.662 22.304 -20.437 1.00 13.47 O ATOM 615 CB PHE A 67 -4.395 19.492 -20.049 1.00 14.65 C ATOM 616 CG PHE A 67 -5.803 19.476 -19.525 1.00 14.72 C ATOM 617 CD1 PHE A 67 -6.604 20.498 -19.746 1.00 13.68 C ATOM 618 CD2 PHE A 67 -6.351 18.400 -18.791 1.00 15.12 C ATOM 619 CE1 PHE A 67 -7.924 20.526 -19.254 1.00 15.24 C ATOM 620 CE2 PHE A 67 -7.632 18.412 -18.325 1.00 15.62 C ATOM 621 CZ PHE A 67 -8.411 19.460 -18.490 1.00 15.63 C ATOM 622 H PHE A 67 -4.288 19.604 -17.389 1.00 0.00 H ATOM 623 N THR A 68 -3.737 22.529 -18.202 1.00 11.63 N ATOM 624 CA THR A 68 -3.912 23.976 -18.265 1.00 12.57 C ATOM 625 C THR A 68 -2.705 24.701 -17.840 1.00 13.64 C ATOM 626 O THR A 68 -2.461 25.829 -18.425 1.00 13.08 O ATOM 627 CB THR A 68 -5.134 24.524 -17.527 1.00 14.21 C ATOM 628 OG1 THR A 68 -4.958 24.407 -16.106 1.00 14.58 O ATOM 629 CG2 THR A 68 -6.482 23.902 -18.026 1.00 14.32 C ATOM 630 HG1 THR A 68 -5.757 24.766 -15.645 1.00 0.00 H ATOM 631 H THR A 68 -3.687 22.056 -17.277 1.00 0.00 H ATOM 632 N ARG A 69 -1.907 24.194 -16.899 1.00 12.24 N ATOM 633 CA ARG A 69 -0.684 24.888 -16.506 1.00 13.15 C ATOM 634 C ARG A 69 0.587 24.030 -16.611 1.00 12.18 C ATOM 635 O ARG A 69 1.696 24.475 -16.445 1.00 12.92 O ATOM 636 CB ARG A 69 -0.820 25.475 -15.125 1.00 13.33 C ATOM 637 CG ARG A 69 -2.082 26.371 -15.061 1.00 13.38 C ATOM 638 CD ARG A 69 -2.081 27.054 -13.696 1.00 14.51 C ATOM 639 NE ARG A 69 -0.786 27.736 -13.372 1.00 13.95 N ATOM 640 CZ ARG A 69 -0.341 28.882 -13.948 1.00 15.04 C ATOM 641 NH1 ARG A 69 0.786 29.362 -13.611 1.00 14.60 N ATOM 642 NH2 ARG A 69 -0.990 29.541 -14.906 1.00 15.26 N ATOM 643 HE ARG A 69 -0.181 27.297 -12.649 1.00 0.00 H ATOM 644 HH12 ARG A 69 1.130 30.240 -14.050 1.00 0.00 H ATOM 645 HH11 ARG A 69 1.365 28.877 -12.896 1.00 0.00 H ATOM 646 HH22 ARG A 69 -0.587 30.415 -15.301 1.00 0.00 H ATOM 647 HH21 ARG A 69 -1.900 29.182 -15.259 1.00 0.00 H ATOM 648 H ARG A 69 -2.159 23.295 -16.441 1.00 0.00 H ATOM 649 N HIS A 70 0.420 22.751 -16.918 1.00 11.91 N ATOM 650 CA HIS A 70 1.512 21.856 -17.294 1.00 12.69 C ATOM 651 C HIS A 70 2.507 21.607 -16.194 1.00 14.10 C ATOM 652 O HIS A 70 3.616 21.184 -16.500 1.00 14.99 O ATOM 653 CB HIS A 70 2.205 22.405 -18.605 1.00 12.39 C ATOM 654 CG HIS A 70 1.280 23.132 -19.486 1.00 12.25 C ATOM 655 ND1 HIS A 70 0.146 22.567 -20.012 1.00 12.86 N ATOM 656 CD2 HIS A 70 1.192 24.454 -19.753 1.00 14.41 C ATOM 657 CE1 HIS A 70 -0.574 23.509 -20.613 1.00 12.71 C ATOM 658 NE2 HIS A 70 0.058 24.647 -20.469 1.00 13.22 N ATOM 659 H HIS A 70 -0.544 22.362 -16.890 1.00 0.00 H ATOM 660 N ASN A 71 2.164 21.827 -14.932 1.00 12.37 N ATOM 661 CA ASN A 71 3.143 21.754 -13.911 1.00 13.16 C ATOM 662 C ASN A 71 2.684 21.322 -12.509 1.00 14.43 C ATOM 663 O ASN A 71 3.467 21.396 -11.572 1.00 15.25 O ATOM 664 CB ASN A 71 3.813 23.167 -13.827 1.00 13.44 C ATOM 665 CG ASN A 71 2.929 24.225 -13.230 1.00 14.61 C ATOM 666 OD1 ASN A 71 1.797 24.028 -12.999 1.00 13.49 O ATOM 667 ND2 ASN A 71 3.480 25.401 -13.057 1.00 16.54 N ATOM 668 HD22 ASN A 71 4.488 25.540 -13.272 1.00 0.00 H ATOM 669 HD21 ASN A 71 2.909 26.196 -12.704 1.00 0.00 H ATOM 670 H ASN A 71 1.178 22.053 -14.692 1.00 0.00 H ATOM 671 N GLY A 72 1.439 20.942 -12.385 1.00 12.89 N ATOM 672 CA GLY A 72 0.842 20.530 -11.081 1.00 13.46 C ATOM 673 C GLY A 72 -0.019 21.572 -10.410 1.00 14.69 C ATOM 674 O GLY A 72 -0.600 21.314 -9.344 1.00 13.84 O ATOM 675 H GLY A 72 0.838 20.926 -13.233 1.00 0.00 H ATOM 676 N THR A 73 -0.132 22.781 -11.002 1.00 14.27 N ATOM 677 CA THR A 73 -0.931 23.880 -10.430 1.00 14.31 C ATOM 678 C THR A 73 -2.263 24.024 -11.114 1.00 15.20 C ATOM 679 O THR A 73 -3.099 24.777 -10.605 1.00 17.65 O ATOM 680 CB THR A 73 -0.135 25.190 -10.442 1.00 14.98 C ATOM 681 OG1 THR A 73 0.038 25.602 -11.800 1.00 15.50 O ATOM 682 CG2 THR A 73 1.117 25.069 -9.727 1.00 15.72 C ATOM 683 HG1 THR A 73 0.531 24.901 -12.296 1.00 0.00 H ATOM 684 H THR A 73 0.366 22.944 -11.900 1.00 0.00 H ATOM 685 N GLY A 74 -2.572 23.260 -12.189 1.00 12.89 N ATOM 686 CA GLY A 74 -3.816 23.501 -12.949 1.00 13.48 C ATOM 687 C GLY A 74 -4.645 22.310 -13.183 1.00 15.10 C ATOM 688 O GLY A 74 -4.656 21.322 -12.375 1.00 14.36 O ATOM 689 H GLY A 74 -1.928 22.497 -12.482 1.00 0.00 H ATOM 690 N GLY A 75 -5.319 22.305 -14.343 1.00 14.33 N ATOM 691 CA GLY A 75 -6.323 21.258 -14.686 1.00 14.79 C ATOM 692 C GLY A 75 -7.740 21.680 -14.326 1.00 14.57 C ATOM 693 O GLY A 75 -7.976 22.584 -13.525 1.00 17.71 O ATOM 694 H GLY A 75 -5.133 23.063 -15.031 1.00 0.00 H ATOM 695 N LYS A 76 -8.685 20.991 -14.864 1.00 13.51 N ATOM 696 CA LYS A 76 -10.138 21.190 -14.601 1.00 13.77 C ATOM 697 C LYS A 76 -10.826 19.923 -14.911 1.00 13.78 C ATOM 698 O LYS A 76 -10.453 19.120 -15.714 1.00 13.70 O ATOM 699 CB LYS A 76 -10.725 22.375 -15.379 1.00 14.91 C ATOM 700 CG LYS A 76 -10.713 22.222 -16.861 1.00 16.42 C ATOM 701 CD LYS A 76 -11.206 23.454 -17.593 1.00 19.78 C ATOM 702 CE LYS A 76 -11.479 23.060 -19.068 1.00 20.06 C ATOM 703 NZ LYS A 76 -11.938 24.248 -19.907 1.00 23.16 N ATOM 704 HZ1 LYS A 76 -12.817 24.634 -19.507 1.00 0.00 H ATOM 705 HZ2 LYS A 76 -11.201 24.982 -19.899 1.00 0.00 H ATOM 706 HZ3 LYS A 76 -12.108 23.936 -20.884 1.00 0.00 H ATOM 707 H LYS A 76 -8.414 20.240 -15.531 1.00 0.00 H ATOM 708 N SER A 77 -11.910 19.727 -14.188 1.00 13.44 N ATOM 709 CA SER A 77 -12.781 18.563 -14.405 1.00 13.27 C ATOM 710 C SER A 77 -13.847 18.857 -15.505 1.00 13.49 C ATOM 711 O SER A 77 -14.002 20.029 -15.891 1.00 16.13 O ATOM 712 CB SER A 77 -13.449 18.194 -13.119 1.00 13.01 C ATOM 713 OG SER A 77 -14.702 18.964 -12.836 1.00 16.44 O ATOM 714 HG SER A 77 -14.491 19.930 -12.788 1.00 0.00 H ATOM 715 H SER A 77 -12.155 20.413 -13.446 1.00 0.00 H ATOM 716 N ILE A 78 -14.626 17.888 -15.853 1.00 13.89 N ATOM 717 CA ILE A 78 -15.777 18.051 -16.807 1.00 14.68 C ATOM 718 C ILE A 78 -16.938 18.697 -16.072 1.00 14.67 C ATOM 719 O ILE A 78 -17.962 18.900 -16.717 1.00 19.62 O ATOM 720 CB ILE A 78 -16.175 16.691 -17.414 1.00 16.20 C ATOM 721 CG1 ILE A 78 -16.721 15.599 -16.410 1.00 16.53 C ATOM 722 CG2 ILE A 78 -15.009 16.170 -18.214 1.00 17.39 C ATOM 723 CD1 ILE A 78 -17.350 14.317 -17.052 1.00 15.99 C ATOM 724 H ILE A 78 -14.448 16.945 -15.452 1.00 0.00 H ATOM 725 N TYR A 79 -16.860 18.866 -14.760 1.00 15.92 N ATOM 726 CA TYR A 79 -17.997 19.353 -13.951 1.00 18.02 C ATOM 727 C TYR A 79 -17.742 20.743 -13.524 1.00 19.80 C ATOM 728 O TYR A 79 -18.522 21.214 -12.701 1.00 23.45 O ATOM 729 CB TYR A 79 -18.218 18.533 -12.693 1.00 17.76 C ATOM 730 CG TYR A 79 -18.251 17.055 -12.959 1.00 16.73 C ATOM 731 CD1 TYR A 79 -19.319 16.504 -13.738 1.00 16.62 C ATOM 732 CD2 TYR A 79 -17.317 16.167 -12.467 1.00 15.30 C ATOM 733 CE1 TYR A 79 -19.409 15.177 -13.981 1.00 16.24 C ATOM 734 CE2 TYR A 79 -17.388 14.851 -12.702 1.00 15.28 C ATOM 735 CZ TYR A 79 -18.429 14.312 -13.471 1.00 14.61 C ATOM 736 OH TYR A 79 -18.446 13.015 -13.748 1.00 13.88 O ATOM 737 HH TYR A 79 -18.479 12.499 -12.904 1.00 0.00 H ATOM 738 H TYR A 79 -15.963 18.647 -14.281 1.00 0.00 H ATOM 739 N GLY A 80 -16.644 21.374 -13.942 1.00 20.83 N ATOM 740 CA GLY A 80 -16.225 22.690 -13.406 1.00 21.02 C ATOM 741 C GLY A 80 -14.740 22.593 -13.012 1.00 19.92 C ATOM 742 O GLY A 80 -14.108 21.532 -13.126 1.00 20.20 O ATOM 743 H GLY A 80 -16.058 20.924 -14.674 1.00 0.00 H ATOM 744 N GLU A 81 -14.190 23.627 -12.434 1.00 18.86 N ATOM 745 CA GLU A 81 -12.809 23.648 -12.076 1.00 21.07 C ATOM 746 C GLU A 81 -12.515 22.518 -11.105 1.00 19.15 C ATOM 747 O GLU A 81 -11.522 21.826 -11.247 1.00 20.39 O ATOM 748 CB GLU A 81 -12.444 24.968 -11.438 1.00 21.56 C ATOM 749 CG GLU A 81 -10.976 25.024 -11.082 1.00 28.76 C ATOM 750 CD GLU A 81 -10.378 26.303 -11.485 1.00 35.69 C ATOM 751 OE1 GLU A 81 -10.102 26.354 -12.711 1.00 39.69 O ATOM 752 OE2 GLU A 81 -10.262 27.212 -10.601 1.00 41.59 O ATOM 753 H GLU A 81 -14.777 24.461 -12.228 1.00 0.00 H ATOM 754 N LYS A 82 -13.325 22.380 -10.083 1.00 18.02 N ATOM 755 CA LYS A 82 -13.186 21.430 -9.009 1.00 18.51 C ATOM 756 C LYS A 82 -14.485 20.678 -8.767 1.00 15.74 C ATOM 757 O LYS A 82 -15.615 21.106 -9.085 1.00 16.91 O ATOM 758 CB LYS A 82 -12.796 22.104 -7.675 1.00 22.69 C ATOM 759 CG LYS A 82 -11.536 22.978 -7.613 1.00 30.99 C ATOM 760 CD LYS A 82 -11.533 23.782 -6.309 1.00 35.81 C ATOM 761 CE LYS A 82 -12.943 24.196 -5.830 1.00 39.21 C ATOM 762 NZ LYS A 82 -13.014 25.209 -4.742 1.00 41.96 N ATOM 763 HZ1 LYS A 82 -12.526 24.845 -3.899 1.00 0.00 H ATOM 764 HZ2 LYS A 82 -12.555 26.087 -5.057 1.00 0.00 H ATOM 765 HZ3 LYS A 82 -14.010 25.400 -4.512 1.00 0.00 H ATOM 766 H LYS A 82 -14.146 23.017 -10.044 1.00 0.00 H ATOM 767 N PHE A 83 -14.373 19.445 -8.279 1.00 13.56 N ATOM 768 CA PHE A 83 -15.493 18.709 -7.756 1.00 11.89 C ATOM 769 C PHE A 83 -15.111 17.943 -6.535 1.00 13.34 C ATOM 770 O PHE A 83 -13.985 17.817 -6.184 1.00 13.63 O ATOM 771 CB PHE A 83 -16.147 17.784 -8.785 1.00 12.82 C ATOM 772 CG PHE A 83 -15.327 16.566 -9.207 1.00 13.37 C ATOM 773 CD1 PHE A 83 -14.240 16.739 -10.094 1.00 13.15 C ATOM 774 CD2 PHE A 83 -15.617 15.283 -8.829 1.00 13.19 C ATOM 775 CE1 PHE A 83 -13.540 15.630 -10.501 1.00 14.22 C ATOM 776 CE2 PHE A 83 -14.924 14.180 -9.261 1.00 14.37 C ATOM 777 CZ PHE A 83 -13.897 14.382 -10.115 1.00 13.32 C ATOM 778 H PHE A 83 -13.436 18.994 -8.276 1.00 0.00 H ATOM 779 N GLU A 84 -16.116 17.466 -5.778 1.00 12.75 N ATOM 780 CA GLU A 84 -15.983 16.942 -4.423 1.00 11.49 C ATOM 781 C GLU A 84 -15.394 15.516 -4.418 1.00 12.36 C ATOM 782 O GLU A 84 -15.393 14.880 -5.469 1.00 12.54 O ATOM 783 CB GLU A 84 -17.423 16.792 -3.825 1.00 13.77 C ATOM 784 CG GLU A 84 -18.395 15.783 -4.541 1.00 13.59 C ATOM 785 CD GLU A 84 -19.162 16.305 -5.735 1.00 14.37 C ATOM 786 OE1 GLU A 84 -18.872 17.452 -6.230 1.00 14.62 O ATOM 787 OE2 GLU A 84 -20.079 15.434 -6.086 1.00 17.57 O ATOM 788 H GLU A 84 -17.069 17.471 -6.194 1.00 0.00 H ATOM 789 N ASP A 85 -14.827 15.159 -3.298 1.00 11.38 N ATOM 790 CA ASP A 85 -14.412 13.805 -3.034 1.00 12.21 C ATOM 791 C ASP A 85 -15.624 12.895 -3.035 1.00 13.14 C ATOM 792 O ASP A 85 -16.531 13.049 -2.168 1.00 13.35 O ATOM 793 CB ASP A 85 -13.602 13.712 -1.722 1.00 11.95 C ATOM 794 CG ASP A 85 -12.309 14.514 -1.742 1.00 12.81 C ATOM 795 OD1 ASP A 85 -11.616 14.374 -2.794 1.00 12.44 O ATOM 796 OD2 ASP A 85 -12.075 15.260 -0.733 1.00 12.74 O ATOM 797 H ASP A 85 -14.668 15.881 -2.567 1.00 0.00 H ATOM 798 N GLU A 86 -15.759 11.994 -4.006 1.00 11.13 N ATOM 799 CA GLU A 86 -16.973 11.264 -4.189 1.00 12.95 C ATOM 800 C GLU A 86 -17.162 10.296 -3.071 1.00 12.04 C ATOM 801 O GLU A 86 -18.303 10.169 -2.507 1.00 14.00 O ATOM 802 CB GLU A 86 -16.946 10.581 -5.521 1.00 12.92 C ATOM 803 CG GLU A 86 -18.170 9.741 -5.863 1.00 13.75 C ATOM 804 CD GLU A 86 -18.174 9.290 -7.279 1.00 15.12 C ATOM 805 OE1 GLU A 86 -17.106 9.297 -7.975 1.00 14.42 O ATOM 806 OE2 GLU A 86 -19.249 8.835 -7.753 1.00 16.62 O ATOM 807 H GLU A 86 -14.960 11.817 -4.648 1.00 0.00 H ATOM 808 N ASN A 87 -16.159 9.517 -2.761 1.00 11.76 N ATOM 809 CA ASN A 87 -16.172 8.542 -1.676 1.00 13.32 C ATOM 810 C ASN A 87 -14.726 8.065 -1.471 1.00 13.01 C ATOM 811 O ASN A 87 -13.882 8.362 -2.390 1.00 14.03 O ATOM 812 CB ASN A 87 -17.200 7.458 -1.828 1.00 13.67 C ATOM 813 CG ASN A 87 -16.879 6.493 -2.962 1.00 13.24 C ATOM 814 OD1 ASN A 87 -15.782 5.939 -2.974 1.00 13.85 O ATOM 815 ND2 ASN A 87 -17.824 6.260 -3.889 1.00 14.10 N ATOM 816 HD22 ASN A 87 -18.738 6.754 -3.836 1.00 0.00 H ATOM 817 HD21 ASN A 87 -17.642 5.586 -4.659 1.00 0.00 H ATOM 818 H ASN A 87 -15.291 9.598 -3.328 1.00 0.00 H ATOM 819 N PHE A 88 -14.443 7.328 -0.418 1.00 12.81 N ATOM 820 CA PHE A 88 -13.127 6.757 -0.178 1.00 14.03 C ATOM 821 C PHE A 88 -13.259 5.231 0.009 1.00 13.61 C ATOM 822 O PHE A 88 -12.593 4.625 0.760 1.00 15.15 O ATOM 823 CB PHE A 88 -12.478 7.465 1.007 1.00 13.11 C ATOM 824 CG PHE A 88 -12.222 8.911 0.751 1.00 12.85 C ATOM 825 CD1 PHE A 88 -11.223 9.301 -0.121 1.00 12.68 C ATOM 826 CD2 PHE A 88 -12.955 9.887 1.353 1.00 13.66 C ATOM 827 CE1 PHE A 88 -10.987 10.632 -0.349 1.00 12.89 C ATOM 828 CE2 PHE A 88 -12.712 11.228 1.105 1.00 13.34 C ATOM 829 CZ PHE A 88 -11.680 11.647 0.288 1.00 12.19 C ATOM 830 H PHE A 88 -15.196 7.145 0.275 1.00 0.00 H ATOM 831 N ILE A 89 -14.188 4.640 -0.758 1.00 13.78 N ATOM 832 CA ILE A 89 -14.380 3.153 -0.699 1.00 14.65 C ATOM 833 C ILE A 89 -13.125 2.384 -0.985 1.00 15.61 C ATOM 834 O ILE A 89 -12.733 1.489 -0.288 1.00 17.66 O ATOM 835 CB ILE A 89 -15.531 2.737 -1.656 1.00 16.77 C ATOM 836 CG1 ILE A 89 -16.886 3.242 -1.214 1.00 18.59 C ATOM 837 CG2 ILE A 89 -15.608 1.224 -1.756 1.00 20.09 C ATOM 838 CD1 ILE A 89 -17.962 3.008 -2.239 1.00 22.32 C ATOM 839 H ILE A 89 -14.776 5.214 -1.395 1.00 0.00 H ATOM 840 N LEU A 90 -12.468 2.799 -2.056 1.00 14.17 N ATOM 841 CA LEU A 90 -11.247 2.092 -2.546 1.00 16.05 C ATOM 842 C LEU A 90 -9.995 2.642 -1.921 1.00 15.15 C ATOM 843 O LEU A 90 -9.887 3.891 -1.632 1.00 15.17 O ATOM 844 CB LEU A 90 -11.174 2.156 -4.042 1.00 16.30 C ATOM 845 CG LEU A 90 -12.337 1.445 -4.743 1.00 18.42 C ATOM 846 CD1 LEU A 90 -12.388 1.803 -6.177 1.00 19.27 C ATOM 847 CD2 LEU A 90 -12.250 -0.053 -4.528 1.00 20.98 C ATOM 848 H LEU A 90 -12.810 3.637 -2.568 1.00 0.00 H ATOM 849 N LYS A 91 -9.053 1.750 -1.630 1.00 15.07 N ATOM 850 CA LYS A 91 -7.818 2.090 -0.956 1.00 14.88 C ATOM 851 C LYS A 91 -6.622 2.026 -1.921 1.00 13.97 C ATOM 852 O LYS A 91 -6.663 1.457 -3.016 1.00 16.07 O ATOM 853 CB LYS A 91 -7.536 1.305 0.339 1.00 17.34 C ATOM 854 CG LYS A 91 -8.832 1.172 1.139 1.00 19.04 C ATOM 855 CD LYS A 91 -9.324 2.466 1.699 1.00 24.89 C ATOM 856 CE LYS A 91 -10.531 2.185 2.610 1.00 25.34 C ATOM 857 NZ LYS A 91 -11.121 3.496 2.988 1.00 29.85 N ATOM 858 HZ1 LYS A 91 -10.409 4.063 3.492 1.00 0.00 H ATOM 859 HZ2 LYS A 91 -11.423 3.999 2.129 1.00 0.00 H ATOM 860 HZ3 LYS A 91 -11.942 3.340 3.606 1.00 0.00 H ATOM 861 H LYS A 91 -9.211 0.758 -1.900 1.00 0.00 H ATOM 862 N HIS A 92 -5.526 2.569 -1.447 1.00 13.48 N ATOM 863 CA HIS A 92 -4.279 2.668 -2.187 1.00 14.23 C ATOM 864 C HIS A 92 -3.474 1.427 -1.847 1.00 18.39 C ATOM 865 O HIS A 92 -2.594 1.422 -0.926 1.00 19.46 O ATOM 866 CB HIS A 92 -3.488 3.934 -1.829 1.00 14.17 C ATOM 867 CG HIS A 92 -4.148 5.240 -2.187 1.00 12.76 C ATOM 868 ND1 HIS A 92 -5.146 5.802 -1.444 1.00 12.48 N ATOM 869 CD2 HIS A 92 -4.014 6.040 -3.277 1.00 11.89 C ATOM 870 CE1 HIS A 92 -5.565 6.933 -2.033 1.00 10.77 C ATOM 871 NE2 HIS A 92 -4.873 7.097 -3.145 1.00 12.51 N ATOM 872 H HIS A 92 -5.551 2.953 -0.481 1.00 0.00 H ATOM 873 N THR A 93 -3.832 0.317 -2.516 1.00 17.62 N ATOM 874 CA THR A 93 -3.268 -0.956 -2.060 1.00 18.51 C ATOM 875 C THR A 93 -1.936 -1.340 -2.592 1.00 19.61 C ATOM 876 O THR A 93 -1.374 -2.303 -2.101 1.00 23.61 O ATOM 877 CB THR A 93 -4.216 -2.043 -2.397 1.00 20.38 C ATOM 878 OG1 THR A 93 -4.472 -1.989 -3.793 1.00 22.98 O ATOM 879 CG2 THR A 93 -5.532 -1.887 -1.550 1.00 23.66 C ATOM 880 HG1 THR A 93 -3.623 -2.111 -4.288 1.00 0.00 H ATOM 881 H THR A 93 -4.484 0.360 -3.325 1.00 0.00 H ATOM 882 N GLY A 94 -1.438 -0.707 -3.636 1.00 18.56 N ATOM 883 CA GLY A 94 -0.138 -1.134 -4.180 1.00 19.06 C ATOM 884 C GLY A 94 0.075 -0.482 -5.543 1.00 17.59 C ATOM 885 O GLY A 94 -0.731 0.379 -5.986 1.00 17.24 O ATOM 886 H GLY A 94 -1.957 0.083 -4.070 1.00 0.00 H ATOM 887 N PRO A 95 1.085 -0.920 -6.320 1.00 18.51 N ATOM 888 CA PRO A 95 1.329 -0.439 -7.637 1.00 16.58 C ATOM 889 C PRO A 95 0.205 -0.579 -8.631 1.00 18.81 C ATOM 890 O PRO A 95 -0.520 -1.560 -8.595 1.00 18.08 O ATOM 891 CB PRO A 95 2.520 -1.325 -8.061 1.00 19.21 C ATOM 892 CG PRO A 95 3.155 -1.727 -6.772 1.00 19.15 C ATOM 893 CD PRO A 95 2.029 -1.991 -5.898 1.00 19.82 C ATOM 894 N GLY A 96 -0.032 0.423 -9.460 1.00 14.41 N ATOM 895 CA GLY A 96 -1.048 0.396 -10.409 1.00 13.66 C ATOM 896 C GLY A 96 -2.350 1.119 -10.086 1.00 11.21 C ATOM 897 O GLY A 96 -3.163 1.349 -10.941 1.00 13.19 O ATOM 898 H GLY A 96 0.569 1.270 -9.400 1.00 0.00 H ATOM 899 N ILE A 97 -2.532 1.394 -8.823 1.00 11.94 N ATOM 900 CA ILE A 97 -3.695 2.204 -8.428 1.00 12.14 C ATOM 901 C ILE A 97 -3.774 3.551 -9.029 1.00 11.28 C ATOM 902 O ILE A 97 -2.747 4.248 -9.074 1.00 12.65 O ATOM 903 CB ILE A 97 -3.785 2.250 -6.900 1.00 13.67 C ATOM 904 CG1 ILE A 97 -4.172 0.862 -6.317 1.00 17.13 C ATOM 905 CG2 ILE A 97 -4.670 3.389 -6.379 1.00 14.54 C ATOM 906 CD1 ILE A 97 -5.568 0.487 -6.424 1.00 19.30 C ATOM 907 H ILE A 97 -1.864 1.045 -8.106 1.00 0.00 H ATOM 908 N LEU A 98 -4.925 3.927 -9.574 1.00 10.66 N ATOM 909 CA LEU A 98 -5.148 5.240 -10.158 1.00 10.62 C ATOM 910 C LEU A 98 -5.990 6.036 -9.175 1.00 11.72 C ATOM 911 O LEU A 98 -7.113 5.593 -8.824 1.00 11.83 O ATOM 912 CB LEU A 98 -5.870 5.080 -11.488 1.00 14.05 C ATOM 913 CG LEU A 98 -6.206 6.181 -12.325 1.00 13.52 C ATOM 914 CD1 LEU A 98 -4.982 6.963 -12.843 1.00 14.81 C ATOM 915 CD2 LEU A 98 -7.036 5.780 -13.522 1.00 13.42 C ATOM 916 H LEU A 98 -5.710 3.245 -9.584 1.00 0.00 H ATOM 917 N SER A 99 -5.533 7.238 -8.811 1.00 11.48 N ATOM 918 CA SER A 99 -6.132 8.015 -7.781 1.00 11.51 C ATOM 919 C SER A 99 -6.046 9.510 -8.115 1.00 10.49 C ATOM 920 O SER A 99 -5.250 9.932 -8.940 1.00 11.56 O ATOM 921 CB SER A 99 -5.402 7.717 -6.510 1.00 12.00 C ATOM 922 OG SER A 99 -5.998 8.465 -5.419 1.00 12.11 O ATOM 923 HG SER A 99 -5.513 8.265 -4.580 1.00 0.00 H ATOM 924 H SER A 99 -4.702 7.623 -9.303 1.00 0.00 H ATOM 925 N MET A 100 -6.955 10.311 -7.544 1.00 11.37 N ATOM 926 CA MET A 100 -7.040 11.735 -7.847 1.00 10.83 C ATOM 927 C MET A 100 -6.019 12.476 -7.042 1.00 10.59 C ATOM 928 O MET A 100 -6.000 12.363 -5.826 1.00 11.25 O ATOM 929 CB MET A 100 -8.404 12.269 -7.641 1.00 11.26 C ATOM 930 CG MET A 100 -9.434 11.820 -8.612 1.00 12.07 C ATOM 931 SD MET A 100 -9.093 12.116 -10.339 1.00 12.57 S ATOM 932 CE MET A 100 -9.361 13.847 -10.467 1.00 12.52 C ATOM 933 H MET A 100 -7.624 9.903 -6.860 1.00 0.00 H ATOM 934 N ALA A 101 -5.263 13.402 -7.684 1.00 11.28 N ATOM 935 CA ALA A 101 -4.535 14.385 -6.995 1.00 10.67 C ATOM 936 C ALA A 101 -5.470 15.439 -6.502 1.00 10.80 C ATOM 937 O ALA A 101 -6.585 15.601 -7.016 1.00 11.62 O ATOM 938 CB ALA A 101 -3.494 14.990 -7.952 1.00 12.34 C ATOM 939 H ALA A 101 -5.221 13.383 -8.723 1.00 0.00 H ATOM 940 N ASN A 102 -5.055 16.174 -5.494 1.00 11.02 N ATOM 941 CA ASN A 102 -5.863 17.297 -4.990 1.00 12.44 C ATOM 942 C ASN A 102 -5.086 18.295 -4.195 1.00 12.04 C ATOM 943 O ASN A 102 -3.930 18.086 -3.976 1.00 14.39 O ATOM 944 CB ASN A 102 -7.135 16.748 -4.203 1.00 11.91 C ATOM 945 CG ASN A 102 -6.780 16.069 -2.934 1.00 11.90 C ATOM 946 OD1 ASN A 102 -6.024 16.678 -2.095 1.00 12.83 O ATOM 947 ND2 ASN A 102 -7.255 14.897 -2.733 1.00 11.25 N ATOM 948 HD22 ASN A 102 -7.863 14.452 -3.450 1.00 0.00 H ATOM 949 HD21 ASN A 102 -7.033 14.390 -1.853 1.00 0.00 H ATOM 950 H ASN A 102 -4.142 15.959 -5.046 1.00 0.00 H ATOM 951 N ALA A 103 -5.743 19.371 -3.753 1.00 13.46 N ATOM 952 CA ALA A 103 -5.095 20.476 -3.052 1.00 15.87 C ATOM 953 C ALA A 103 -5.915 20.785 -1.830 1.00 17.53 C ATOM 954 O ALA A 103 -6.058 21.965 -1.461 1.00 20.19 O ATOM 955 CB ALA A 103 -5.029 21.707 -3.966 1.00 18.93 C ATOM 956 H ALA A 103 -6.769 19.424 -3.917 1.00 0.00 H ATOM 957 N GLY A 104 -6.443 19.740 -1.210 1.00 13.55 N ATOM 958 CA GLY A 104 -7.318 19.929 -0.033 1.00 13.56 C ATOM 959 C GLY A 104 -8.608 19.192 -0.210 1.00 13.42 C ATOM 960 O GLY A 104 -8.870 18.578 -1.285 1.00 13.16 O ATOM 961 H GLY A 104 -6.241 18.780 -1.554 1.00 0.00 H ATOM 962 N PRO A 105 -9.489 19.180 0.804 1.00 14.05 N ATOM 963 CA PRO A 105 -10.748 18.487 0.653 1.00 13.24 C ATOM 964 C PRO A 105 -11.602 19.022 -0.520 1.00 12.85 C ATOM 965 O PRO A 105 -11.675 20.203 -0.695 1.00 13.18 O ATOM 966 CB PRO A 105 -11.484 18.743 1.977 1.00 14.27 C ATOM 967 CG PRO A 105 -10.809 19.916 2.511 1.00 16.04 C ATOM 968 CD PRO A 105 -9.346 19.879 2.101 1.00 14.84 C ATOM 969 N ASN A 106 -12.184 18.119 -1.284 1.00 11.70 N ATOM 970 CA ASN A 106 -13.183 18.553 -2.329 1.00 11.43 C ATOM 971 C ASN A 106 -12.617 19.486 -3.404 1.00 13.51 C ATOM 972 O ASN A 106 -13.153 20.499 -3.797 1.00 14.45 O ATOM 973 CB ASN A 106 -14.424 19.086 -1.640 1.00 12.07 C ATOM 974 CG ASN A 106 -14.963 18.123 -0.710 1.00 12.31 C ATOM 975 OD1 ASN A 106 -15.235 16.948 -1.028 1.00 12.85 O ATOM 976 ND2 ASN A 106 -15.073 18.559 0.562 1.00 13.03 N ATOM 977 HD22 ASN A 106 -14.839 19.545 0.796 1.00 0.00 H ATOM 978 HD21 ASN A 106 -15.392 17.909 1.309 1.00 0.00 H ATOM 979 H ASN A 106 -11.956 17.111 -1.167 1.00 0.00 H ATOM 980 N THR A 107 -11.395 19.123 -3.844 1.00 11.79 N ATOM 981 CA THR A 107 -10.683 19.921 -4.837 1.00 13.61 C ATOM 982 C THR A 107 -10.187 19.054 -6.019 1.00 13.14 C ATOM 983 O THR A 107 -9.155 19.424 -6.610 1.00 14.20 O ATOM 984 CB THR A 107 -9.495 20.700 -4.231 1.00 14.72 C ATOM 985 OG1 THR A 107 -8.541 19.773 -3.715 1.00 13.80 O ATOM 986 CG2 THR A 107 -9.862 21.699 -3.167 1.00 16.09 C ATOM 987 HG1 THR A 107 -8.967 19.218 -3.015 1.00 0.00 H ATOM 988 H THR A 107 -10.952 18.260 -3.469 1.00 0.00 H ATOM 989 N ASN A 108 -10.929 18.025 -6.416 1.00 11.91 N ATOM 990 CA ASN A 108 -10.565 17.225 -7.568 1.00 12.10 C ATOM 991 C ASN A 108 -10.714 18.038 -8.838 1.00 13.25 C ATOM 992 O ASN A 108 -11.749 18.738 -9.033 1.00 13.53 O ATOM 993 CB ASN A 108 -11.415 15.961 -7.618 1.00 11.13 C ATOM 994 CG ASN A 108 -11.205 15.161 -6.399 1.00 12.27 C ATOM 995 OD1 ASN A 108 -10.137 14.614 -6.204 1.00 12.31 O ATOM 996 ND2 ASN A 108 -12.205 15.155 -5.485 1.00 12.88 N ATOM 997 HD22 ASN A 108 -13.103 15.636 -5.694 1.00 0.00 H ATOM 998 HD21 ASN A 108 -12.075 14.669 -4.575 1.00 0.00 H ATOM 999 H ASN A 108 -11.792 17.788 -5.887 1.00 0.00 H ATOM 1000 N GLY A 109 -9.767 17.877 -9.792 1.00 11.95 N ATOM 1001 CA GLY A 109 -9.945 18.538 -11.093 1.00 12.57 C ATOM 1002 C GLY A 109 -9.750 17.518 -12.176 1.00 11.32 C ATOM 1003 O GLY A 109 -10.536 16.613 -12.393 1.00 12.86 O ATOM 1004 H GLY A 109 -8.926 17.294 -9.607 1.00 0.00 H ATOM 1005 N SER A 110 -8.569 17.588 -12.817 1.00 10.87 N ATOM 1006 CA SER A 110 -8.098 16.624 -13.778 1.00 10.41 C ATOM 1007 C SER A 110 -6.837 15.921 -13.413 1.00 10.47 C ATOM 1008 O SER A 110 -6.542 14.801 -13.929 1.00 11.61 O ATOM 1009 CB SER A 110 -7.938 17.256 -15.141 1.00 11.83 C ATOM 1010 OG SER A 110 -6.984 18.294 -15.025 1.00 12.15 O ATOM 1011 HG SER A 110 -6.122 17.916 -14.717 1.00 0.00 H ATOM 1012 H SER A 110 -7.951 18.397 -12.603 1.00 0.00 H ATOM 1013 N GLN A 111 -6.054 16.473 -12.487 1.00 9.86 N ATOM 1014 CA GLN A 111 -4.796 15.801 -12.127 1.00 10.83 C ATOM 1015 C GLN A 111 -5.010 14.489 -11.369 1.00 11.14 C ATOM 1016 O GLN A 111 -5.968 14.364 -10.590 1.00 10.78 O ATOM 1017 CB GLN A 111 -3.908 16.686 -11.359 1.00 10.56 C ATOM 1018 CG GLN A 111 -3.333 17.905 -12.104 1.00 11.71 C ATOM 1019 CD GLN A 111 -2.356 18.603 -11.243 1.00 13.45 C ATOM 1020 OE1 GLN A 111 -1.304 18.025 -10.857 1.00 14.23 O ATOM 1021 NE2 GLN A 111 -2.655 19.917 -10.895 1.00 12.29 N ATOM 1022 HE22 GLN A 111 -3.534 20.358 -11.234 1.00 0.00 H ATOM 1023 HE21 GLN A 111 -2.000 20.458 -10.296 1.00 0.00 H ATOM 1024 H GLN A 111 -6.328 17.364 -12.026 1.00 0.00 H ATOM 1025 N PHE A 112 -4.172 13.532 -11.696 1.00 10.73 N ATOM 1026 CA PHE A 112 -4.271 12.166 -11.177 1.00 10.35 C ATOM 1027 C PHE A 112 -2.891 11.614 -10.956 1.00 10.37 C ATOM 1028 O PHE A 112 -1.880 12.147 -11.471 1.00 10.07 O ATOM 1029 CB PHE A 112 -5.077 11.268 -12.195 1.00 11.77 C ATOM 1030 CG PHE A 112 -4.329 11.111 -13.480 1.00 12.57 C ATOM 1031 CD1 PHE A 112 -3.369 10.152 -13.641 1.00 11.97 C ATOM 1032 CD2 PHE A 112 -4.490 12.056 -14.523 1.00 12.06 C ATOM 1033 CE1 PHE A 112 -2.659 10.062 -14.834 1.00 13.28 C ATOM 1034 CE2 PHE A 112 -3.695 11.968 -15.658 1.00 12.72 C ATOM 1035 CZ PHE A 112 -2.777 10.995 -15.783 1.00 13.35 C ATOM 1036 H PHE A 112 -3.400 13.755 -12.356 1.00 0.00 H ATOM 1037 N PHE A 113 -2.801 10.495 -10.272 1.00 10.25 N ATOM 1038 CA PHE A 113 -1.557 9.816 -10.144 1.00 10.84 C ATOM 1039 C PHE A 113 -1.695 8.290 -10.254 1.00 10.38 C ATOM 1040 O PHE A 113 -2.766 7.753 -9.909 1.00 11.21 O ATOM 1041 CB PHE A 113 -0.777 10.189 -8.891 1.00 10.35 C ATOM 1042 CG PHE A 113 -1.437 9.935 -7.585 1.00 11.03 C ATOM 1043 CD1 PHE A 113 -2.467 10.794 -7.091 1.00 12.48 C ATOM 1044 CD2 PHE A 113 -1.144 8.781 -6.814 1.00 12.38 C ATOM 1045 CE1 PHE A 113 -3.062 10.543 -5.903 1.00 12.34 C ATOM 1046 CE2 PHE A 113 -1.749 8.571 -5.616 1.00 12.36 C ATOM 1047 CZ PHE A 113 -2.729 9.445 -5.178 1.00 11.83 C ATOM 1048 H PHE A 113 -3.650 10.101 -9.819 1.00 0.00 H ATOM 1049 N ILE A 114 -0.639 7.638 -10.709 1.00 9.82 N ATOM 1050 CA ILE A 114 -0.585 6.197 -10.821 1.00 11.09 C ATOM 1051 C ILE A 114 0.389 5.826 -9.751 1.00 11.13 C ATOM 1052 O ILE A 114 1.612 6.199 -9.812 1.00 12.16 O ATOM 1053 CB ILE A 114 -0.097 5.742 -12.209 1.00 11.63 C ATOM 1054 CG1 ILE A 114 -0.901 6.296 -13.326 1.00 12.43 C ATOM 1055 CG2 ILE A 114 -0.075 4.213 -12.277 1.00 12.78 C ATOM 1056 CD1 ILE A 114 -0.335 6.106 -14.710 1.00 13.95 C ATOM 1057 H ILE A 114 0.194 8.188 -11.001 1.00 0.00 H ATOM 1058 N CYS A 115 -0.026 5.060 -8.745 1.00 12.18 N ATOM 1059 CA CYS A 115 0.915 4.548 -7.760 1.00 12.61 C ATOM 1060 C CYS A 115 1.908 3.546 -8.342 1.00 12.58 C ATOM 1061 O CYS A 115 1.471 2.671 -9.112 1.00 12.41 O ATOM 1062 CB CYS A 115 0.133 3.840 -6.657 1.00 13.59 C ATOM 1063 SG CYS A 115 -1.022 4.989 -5.796 1.00 15.22 S ATOM 1064 H CYS A 115 -1.036 4.824 -8.662 1.00 0.00 H ATOM 1065 N THR A 116 3.133 3.594 -7.884 1.00 12.97 N ATOM 1066 CA THR A 116 4.127 2.537 -8.117 1.00 14.23 C ATOM 1067 C THR A 116 4.577 1.838 -6.879 1.00 16.26 C ATOM 1068 O THR A 116 5.546 1.058 -6.940 1.00 20.05 O ATOM 1069 CB THR A 116 5.322 3.138 -8.891 1.00 14.17 C ATOM 1070 OG1 THR A 116 5.869 4.302 -8.204 1.00 16.61 O ATOM 1071 CG2 THR A 116 4.857 3.676 -10.204 1.00 16.98 C ATOM 1072 HG1 THR A 116 6.631 4.663 -8.724 1.00 0.00 H ATOM 1073 H THR A 116 3.418 4.424 -7.326 1.00 0.00 H ATOM 1074 N ALA A 117 3.944 2.122 -5.763 1.00 14.98 N ATOM 1075 CA ALA A 117 4.155 1.550 -4.446 1.00 17.42 C ATOM 1076 C ALA A 117 2.813 1.614 -3.730 1.00 17.16 C ATOM 1077 O ALA A 117 1.885 2.372 -4.152 1.00 16.50 O ATOM 1078 CB ALA A 117 5.241 2.285 -3.679 1.00 19.79 C ATOM 1079 H ALA A 117 3.200 2.846 -5.832 1.00 0.00 H ATOM 1080 N LYS A 118 2.671 0.856 -2.650 1.00 16.47 N ATOM 1081 CA LYS A 118 1.540 1.026 -1.762 1.00 16.44 C ATOM 1082 C LYS A 118 1.666 2.406 -1.080 1.00 16.55 C ATOM 1083 O LYS A 118 2.688 2.726 -0.573 1.00 17.38 O ATOM 1084 CB LYS A 118 1.548 -0.079 -0.721 1.00 18.48 C ATOM 1085 CG LYS A 118 0.319 -0.032 0.172 1.00 22.91 C ATOM 1086 CD LYS A 118 0.312 -1.271 1.071 1.00 27.74 C ATOM 1087 CE LYS A 118 -0.251 -0.948 2.444 1.00 32.29 C ATOM 1088 NZ LYS A 118 -0.420 -2.252 3.152 1.00 35.94 N ATOM 1089 HZ1 LYS A 118 -1.075 -2.855 2.614 1.00 0.00 H ATOM 1090 HZ2 LYS A 118 0.503 -2.725 3.230 1.00 0.00 H ATOM 1091 HZ3 LYS A 118 -0.805 -2.081 4.103 1.00 0.00 H ATOM 1092 H LYS A 118 3.383 0.128 -2.438 1.00 0.00 H ATOM 1093 N THR A 119 0.563 3.140 -1.036 1.00 14.15 N ATOM 1094 CA THR A 119 0.540 4.516 -0.512 1.00 14.81 C ATOM 1095 C THR A 119 -0.611 4.687 0.463 1.00 14.08 C ATOM 1096 O THR A 119 -1.438 5.593 0.324 1.00 14.35 O ATOM 1097 CB THR A 119 0.495 5.610 -1.619 1.00 15.45 C ATOM 1098 OG1 THR A 119 -0.706 5.494 -2.376 1.00 15.07 O ATOM 1099 CG2 THR A 119 1.647 5.522 -2.592 1.00 15.99 C ATOM 1100 HG1 THR A 119 -1.485 5.607 -1.776 1.00 0.00 H ATOM 1101 H THR A 119 -0.324 2.726 -1.387 1.00 0.00 H ATOM 1102 N GLU A 120 -0.594 3.913 1.542 1.00 14.55 N ATOM 1103 CA GLU A 120 -1.726 3.776 2.431 1.00 15.33 C ATOM 1104 C GLU A 120 -2.038 5.066 3.171 1.00 13.21 C ATOM 1105 O GLU A 120 -3.205 5.274 3.566 1.00 13.80 O ATOM 1106 CB GLU A 120 -1.562 2.561 3.382 1.00 17.97 C ATOM 1107 CG GLU A 120 -0.487 2.694 4.416 1.00 23.82 C ATOM 1108 CD GLU A 120 1.008 2.625 3.928 1.00 28.06 C ATOM 1109 OE1 GLU A 120 1.381 2.298 2.726 1.00 24.55 O ATOM 1110 OE2 GLU A 120 1.903 2.959 4.768 1.00 35.70 O ATOM 1111 H GLU A 120 0.273 3.381 1.757 1.00 0.00 H ATOM 1112 N TRP A 121 -1.067 5.932 3.394 1.00 14.46 N ATOM 1113 CA TRP A 121 -1.317 7.139 4.103 1.00 13.51 C ATOM 1114 C TRP A 121 -2.226 8.102 3.335 1.00 13.57 C ATOM 1115 O TRP A 121 -2.648 9.093 3.874 1.00 15.28 O ATOM 1116 CB TRP A 121 0.032 7.826 4.471 1.00 15.41 C ATOM 1117 CG TRP A 121 0.780 8.187 3.217 1.00 14.77 C ATOM 1118 CD1 TRP A 121 0.780 9.386 2.573 1.00 15.24 C ATOM 1119 CD2 TRP A 121 1.735 7.368 2.520 1.00 15.05 C ATOM 1120 NE1 TRP A 121 1.594 9.324 1.490 1.00 14.60 N ATOM 1121 CE2 TRP A 121 2.216 8.145 1.449 1.00 14.82 C ATOM 1122 CE3 TRP A 121 2.280 6.071 2.704 1.00 16.12 C ATOM 1123 CZ2 TRP A 121 3.116 7.625 0.486 1.00 15.58 C ATOM 1124 CZ3 TRP A 121 3.170 5.619 1.738 1.00 17.89 C ATOM 1125 CH2 TRP A 121 3.593 6.454 0.700 1.00 15.79 C ATOM 1126 HE1 TRP A 121 1.716 10.086 0.792 1.00 0.00 H ATOM 1127 H TRP A 121 -0.108 5.729 3.047 1.00 0.00 H ATOM 1128 N LEU A 122 -2.441 7.828 2.022 1.00 12.38 N ATOM 1129 CA LEU A 122 -3.367 8.522 1.199 1.00 12.06 C ATOM 1130 C LEU A 122 -4.842 8.097 1.315 1.00 12.97 C ATOM 1131 O LEU A 122 -5.734 8.771 0.803 1.00 11.81 O ATOM 1132 CB LEU A 122 -2.950 8.531 -0.261 1.00 11.78 C ATOM 1133 CG LEU A 122 -1.488 9.084 -0.429 1.00 11.54 C ATOM 1134 CD1 LEU A 122 -1.192 9.002 -1.923 1.00 12.01 C ATOM 1135 CD2 LEU A 122 -1.334 10.522 0.067 1.00 12.55 C ATOM 1136 H LEU A 122 -1.890 7.058 1.591 1.00 0.00 H ATOM 1137 N ASP A 123 -5.037 6.958 1.956 1.00 12.07 N ATOM 1138 CA ASP A 123 -6.344 6.374 2.115 1.00 13.85 C ATOM 1139 C ASP A 123 -7.239 7.397 2.874 1.00 12.85 C ATOM 1140 O ASP A 123 -6.902 7.940 3.914 1.00 14.28 O ATOM 1141 CB ASP A 123 -6.312 5.016 2.858 1.00 14.51 C ATOM 1142 CG ASP A 123 -5.738 3.929 2.009 1.00 16.92 C ATOM 1143 OD1 ASP A 123 -5.450 4.162 0.800 1.00 15.01 O ATOM 1144 OD2 ASP A 123 -5.527 2.828 2.602 1.00 17.66 O ATOM 1145 H ASP A 123 -4.216 6.465 2.361 1.00 0.00 H ATOM 1146 N GLY A 124 -8.421 7.645 2.326 1.00 11.84 N ATOM 1147 CA GLY A 124 -9.364 8.577 2.942 1.00 11.60 C ATOM 1148 C GLY A 124 -9.096 10.001 2.651 1.00 11.91 C ATOM 1149 O GLY A 124 -9.852 10.908 3.100 1.00 13.56 O ATOM 1150 H GLY A 124 -8.682 7.167 1.440 1.00 0.00 H ATOM 1151 N LYS A 125 -8.065 10.241 1.869 1.00 12.18 N ATOM 1152 CA LYS A 125 -7.853 11.664 1.399 1.00 13.42 C ATOM 1153 C LYS A 125 -7.706 11.925 -0.048 1.00 12.37 C ATOM 1154 O LYS A 125 -7.971 13.047 -0.490 1.00 11.98 O ATOM 1155 CB LYS A 125 -7.010 12.454 2.228 1.00 21.44 C ATOM 1156 CG LYS A 125 -5.695 12.014 2.114 1.00 17.96 C ATOM 1157 CD LYS A 125 -4.751 13.252 2.482 1.00 25.95 C ATOM 1158 CE LYS A 125 -3.279 12.938 2.285 1.00 25.74 C ATOM 1159 NZ LYS A 125 -2.295 13.981 2.823 1.00 28.56 N ATOM 1160 HZ1 LYS A 125 -2.464 14.892 2.350 1.00 0.00 H ATOM 1161 HZ2 LYS A 125 -2.434 14.091 3.848 1.00 0.00 H ATOM 1162 HZ3 LYS A 125 -1.322 13.667 2.636 1.00 0.00 H ATOM 1163 H LYS A 125 -7.418 9.479 1.584 1.00 0.00 H ATOM 1164 N HIS A 126 -7.396 10.915 -0.796 1.00 11.13 N ATOM 1165 CA HIS A 126 -7.431 10.926 -2.242 1.00 10.74 C ATOM 1166 C HIS A 126 -8.375 9.859 -2.727 1.00 10.02 C ATOM 1167 O HIS A 126 -8.321 8.719 -2.230 1.00 11.12 O ATOM 1168 CB HIS A 126 -5.996 10.674 -2.845 1.00 11.04 C ATOM 1169 CG HIS A 126 -5.002 11.745 -2.526 1.00 10.94 C ATOM 1170 ND1 HIS A 126 -4.793 12.816 -3.340 1.00 10.57 N ATOM 1171 CD2 HIS A 126 -4.338 12.005 -1.369 1.00 11.78 C ATOM 1172 CE1 HIS A 126 -3.932 13.643 -2.726 1.00 12.27 C ATOM 1173 NE2 HIS A 126 -3.699 13.193 -1.509 1.00 12.00 N ATOM 1174 H HIS A 126 -7.102 10.036 -0.325 1.00 0.00 H ATOM 1175 N VAL A 127 -9.172 10.188 -3.683 1.00 9.26 N ATOM 1176 CA VAL A 127 -10.163 9.283 -4.199 1.00 10.72 C ATOM 1177 C VAL A 127 -9.499 8.326 -5.213 1.00 10.26 C ATOM 1178 O VAL A 127 -9.148 8.737 -6.330 1.00 11.21 O ATOM 1179 CB VAL A 127 -11.292 9.981 -4.815 1.00 10.54 C ATOM 1180 CG1 VAL A 127 -12.326 8.993 -5.446 1.00 11.96 C ATOM 1181 CG2 VAL A 127 -12.059 10.890 -3.795 1.00 11.06 C ATOM 1182 H VAL A 127 -9.097 11.140 -4.096 1.00 0.00 H ATOM 1183 N VAL A 128 -9.504 7.051 -4.908 1.00 10.61 N ATOM 1184 CA VAL A 128 -9.122 5.949 -5.786 1.00 11.66 C ATOM 1185 C VAL A 128 -10.237 5.606 -6.730 1.00 10.83 C ATOM 1186 O VAL A 128 -11.363 5.402 -6.276 1.00 13.01 O ATOM 1187 CB VAL A 128 -8.697 4.722 -5.020 1.00 12.24 C ATOM 1188 CG1 VAL A 128 -8.454 3.536 -5.934 1.00 13.53 C ATOM 1189 CG2 VAL A 128 -7.458 5.065 -4.220 1.00 12.81 C ATOM 1190 H VAL A 128 -9.810 6.800 -3.946 1.00 0.00 H ATOM 1191 N PHE A 129 -9.968 5.516 -8.027 1.00 10.98 N ATOM 1192 CA PHE A 129 -10.996 5.313 -8.991 1.00 11.62 C ATOM 1193 C PHE A 129 -10.714 4.329 -10.126 1.00 12.77 C ATOM 1194 O PHE A 129 -11.556 4.147 -11.006 1.00 13.14 O ATOM 1195 CB PHE A 129 -11.526 6.658 -9.515 1.00 11.45 C ATOM 1196 CG PHE A 129 -10.532 7.383 -10.336 1.00 11.06 C ATOM 1197 CD1 PHE A 129 -9.561 8.212 -9.777 1.00 12.12 C ATOM 1198 CD2 PHE A 129 -10.508 7.203 -11.728 1.00 12.23 C ATOM 1199 CE1 PHE A 129 -8.609 8.806 -10.566 1.00 10.57 C ATOM 1200 CE2 PHE A 129 -9.556 7.773 -12.519 1.00 12.86 C ATOM 1201 CZ PHE A 129 -8.610 8.660 -11.927 1.00 12.63 C ATOM 1202 H PHE A 129 -8.982 5.596 -8.347 1.00 0.00 H ATOM 1203 N GLY A 130 -9.537 3.764 -10.117 1.00 11.77 N ATOM 1204 CA GLY A 130 -9.169 2.812 -11.227 1.00 13.45 C ATOM 1205 C GLY A 130 -7.892 2.135 -10.922 1.00 12.70 C ATOM 1206 O GLY A 130 -7.294 2.325 -9.831 1.00 12.78 O ATOM 1207 H GLY A 130 -8.861 3.968 -9.353 1.00 0.00 H ATOM 1208 N LYS A 131 -7.476 1.273 -11.848 1.00 13.63 N ATOM 1209 CA LYS A 131 -6.194 0.545 -11.737 1.00 13.83 C ATOM 1210 C LYS A 131 -5.654 0.308 -13.159 1.00 12.86 C ATOM 1211 O LYS A 131 -6.399 0.130 -14.094 1.00 15.13 O ATOM 1212 CB LYS A 131 -6.326 -0.816 -11.007 1.00 17.21 C ATOM 1213 CG LYS A 131 -7.141 -1.867 -11.754 1.00 19.65 C ATOM 1214 CD LYS A 131 -7.359 -3.119 -10.930 1.00 22.61 C ATOM 1215 CE LYS A 131 -8.486 -3.930 -11.505 1.00 24.95 C ATOM 1216 NZ LYS A 131 -8.592 -5.204 -10.750 1.00 26.79 N ATOM 1217 HZ1 LYS A 131 -7.699 -5.731 -10.834 1.00 0.00 H ATOM 1218 HZ2 LYS A 131 -8.781 -4.997 -9.748 1.00 0.00 H ATOM 1219 HZ3 LYS A 131 -9.370 -5.773 -11.140 1.00 0.00 H ATOM 1220 H LYS A 131 -8.076 1.106 -12.681 1.00 0.00 H ATOM 1221 N VAL A 132 -4.353 0.231 -13.267 1.00 12.43 N ATOM 1222 CA VAL A 132 -3.681 -0.272 -14.500 1.00 13.75 C ATOM 1223 C VAL A 132 -4.241 -1.679 -14.744 1.00 14.18 C ATOM 1224 O VAL A 132 -4.202 -2.531 -13.848 1.00 15.66 O ATOM 1225 CB VAL A 132 -2.183 -0.223 -14.340 1.00 12.19 C ATOM 1226 CG1 VAL A 132 -1.502 -0.944 -15.501 1.00 14.26 C ATOM 1227 CG2 VAL A 132 -1.712 1.199 -14.204 1.00 12.76 C ATOM 1228 H VAL A 132 -3.765 0.532 -12.463 1.00 0.00 H ATOM 1229 N LYS A 133 -4.616 -1.865 -15.993 1.00 13.69 N ATOM 1230 CA LYS A 133 -5.078 -3.202 -16.493 1.00 16.36 C ATOM 1231 C LYS A 133 -3.991 -3.910 -17.260 1.00 17.29 C ATOM 1232 O LYS A 133 -3.553 -5.057 -16.946 1.00 20.47 O ATOM 1233 CB LYS A 133 -6.257 -2.966 -17.425 1.00 18.37 C ATOM 1234 CG LYS A 133 -6.839 -4.306 -17.896 1.00 21.16 C ATOM 1235 CD LYS A 133 -8.325 -4.297 -18.061 1.00 32.04 C ATOM 1236 CE LYS A 133 -8.774 -3.501 -19.219 1.00 34.32 C ATOM 1237 NZ LYS A 133 -10.269 -3.643 -19.238 1.00 46.62 N ATOM 1238 HZ1 LYS A 133 -10.519 -4.647 -19.343 1.00 0.00 H ATOM 1239 HZ2 LYS A 133 -10.662 -3.278 -18.347 1.00 0.00 H ATOM 1240 HZ3 LYS A 133 -10.657 -3.102 -20.037 1.00 0.00 H ATOM 1241 H LYS A 133 -4.591 -1.061 -16.652 1.00 0.00 H ATOM 1242 N GLU A 134 -3.500 -3.275 -18.297 1.00 14.10 N ATOM 1243 CA GLU A 134 -2.304 -3.768 -19.033 1.00 15.62 C ATOM 1244 C GLU A 134 -1.274 -2.678 -19.094 1.00 13.15 C ATOM 1245 O GLU A 134 -1.589 -1.453 -19.056 1.00 14.57 O ATOM 1246 CB GLU A 134 -2.699 -4.198 -20.478 1.00 17.56 C ATOM 1247 CG GLU A 134 -3.721 -5.312 -20.437 1.00 21.29 C ATOM 1248 CD GLU A 134 -3.867 -6.094 -21.727 1.00 27.48 C ATOM 1249 OE1 GLU A 134 -4.727 -5.599 -22.449 1.00 24.47 O ATOM 1250 OE2 GLU A 134 -3.164 -7.106 -22.019 1.00 25.95 O ATOM 1251 H GLU A 134 -3.961 -2.399 -18.615 1.00 0.00 H ATOM 1252 N GLY A 135 -0.026 -3.032 -19.276 1.00 13.30 N ATOM 1253 CA GLY A 135 1.064 -2.085 -19.402 1.00 13.83 C ATOM 1254 C GLY A 135 1.695 -1.581 -18.147 1.00 13.01 C ATOM 1255 O GLY A 135 2.323 -0.511 -18.177 1.00 14.76 O ATOM 1256 H GLY A 135 0.194 -4.047 -19.333 1.00 0.00 H ATOM 1257 N MET A 136 1.653 -2.327 -17.051 1.00 14.49 N ATOM 1258 CA MET A 136 2.425 -1.915 -15.853 1.00 14.99 C ATOM 1259 C MET A 136 3.898 -1.843 -16.151 1.00 14.98 C ATOM 1260 O MET A 136 4.646 -1.012 -15.654 1.00 13.94 O ATOM 1261 CB MET A 136 2.174 -2.914 -14.723 1.00 17.28 C ATOM 1262 CG MET A 136 2.496 -2.287 -13.373 1.00 19.80 C ATOM 1263 SD MET A 136 1.609 -0.741 -12.934 1.00 18.93 S ATOM 1264 CE MET A 136 2.828 0.143 -11.945 1.00 22.41 C ATOM 1265 H MET A 136 1.082 -3.196 -17.032 1.00 0.00 H ATOM 1266 N ASN A 137 4.418 -2.727 -17.072 1.00 13.49 N ATOM 1267 CA ASN A 137 5.746 -2.624 -17.585 1.00 13.44 C ATOM 1268 C ASN A 137 6.055 -1.258 -18.165 1.00 12.66 C ATOM 1269 O ASN A 137 7.167 -0.744 -18.057 1.00 14.37 O ATOM 1270 CB ASN A 137 6.010 -3.742 -18.680 1.00 14.92 C ATOM 1271 CG ASN A 137 5.013 -3.670 -19.847 1.00 14.60 C ATOM 1272 OD1 ASN A 137 3.827 -3.599 -19.637 1.00 15.45 O ATOM 1273 ND2 ASN A 137 5.501 -3.803 -21.049 1.00 15.54 N ATOM 1274 HD22 ASN A 137 6.530 -3.861 -21.189 1.00 0.00 H ATOM 1275 HD21 ASN A 137 4.861 -3.851 -21.868 1.00 0.00 H ATOM 1276 H ASN A 137 3.815 -3.505 -17.409 1.00 0.00 H ATOM 1277 N ILE A 138 5.088 -0.657 -18.869 1.00 12.15 N ATOM 1278 CA ILE A 138 5.248 0.669 -19.452 1.00 12.13 C ATOM 1279 C ILE A 138 5.282 1.746 -18.320 1.00 12.23 C ATOM 1280 O ILE A 138 6.111 2.623 -18.372 1.00 14.20 O ATOM 1281 CB ILE A 138 4.123 0.941 -20.480 1.00 12.49 C ATOM 1282 CG1 ILE A 138 4.192 -0.144 -21.588 1.00 12.90 C ATOM 1283 CG2 ILE A 138 4.230 2.325 -21.042 1.00 13.35 C ATOM 1284 CD1 ILE A 138 5.529 -0.303 -22.330 1.00 13.27 C ATOM 1285 H ILE A 138 4.186 -1.157 -19.005 1.00 0.00 H ATOM 1286 N VAL A 139 4.458 1.572 -17.308 1.00 11.91 N ATOM 1287 CA VAL A 139 4.512 2.466 -16.126 1.00 13.30 C ATOM 1288 C VAL A 139 5.891 2.374 -15.448 1.00 14.06 C ATOM 1289 O VAL A 139 6.475 3.447 -15.125 1.00 14.83 O ATOM 1290 CB VAL A 139 3.369 2.205 -15.169 1.00 13.12 C ATOM 1291 CG1 VAL A 139 3.535 3.008 -13.884 1.00 13.82 C ATOM 1292 CG2 VAL A 139 1.999 2.402 -15.816 1.00 13.98 C ATOM 1293 H VAL A 139 3.762 0.800 -17.338 1.00 0.00 H ATOM 1294 N GLU A 140 6.421 1.191 -15.322 1.00 14.01 N ATOM 1295 CA GLU A 140 7.753 1.009 -14.760 1.00 14.51 C ATOM 1296 C GLU A 140 8.810 1.604 -15.572 1.00 13.74 C ATOM 1297 O GLU A 140 9.775 2.170 -15.046 1.00 15.06 O ATOM 1298 CB GLU A 140 8.026 -0.482 -14.513 1.00 14.89 C ATOM 1299 CG GLU A 140 7.057 -1.070 -13.481 1.00 18.57 C ATOM 1300 CD GLU A 140 6.967 -2.562 -13.513 1.00 24.20 C ATOM 1301 OE1 GLU A 140 7.556 -3.203 -14.402 1.00 26.08 O ATOM 1302 OE2 GLU A 140 6.249 -3.078 -12.683 1.00 24.57 O ATOM 1303 H GLU A 140 5.881 0.357 -15.630 1.00 0.00 H ATOM 1304 N ALA A 141 8.709 1.532 -16.891 1.00 14.36 N ATOM 1305 CA ALA A 141 9.686 2.203 -17.732 1.00 14.79 C ATOM 1306 C ALA A 141 9.565 3.725 -17.582 1.00 13.87 C ATOM 1307 O ALA A 141 10.598 4.398 -17.503 1.00 15.85 O ATOM 1308 CB ALA A 141 9.495 1.803 -19.208 1.00 15.38 C ATOM 1309 H ALA A 141 7.931 0.995 -17.325 1.00 0.00 H ATOM 1310 N MET A 142 8.326 4.290 -17.530 1.00 14.34 N ATOM 1311 CA MET A 142 8.147 5.792 -17.272 1.00 15.21 C ATOM 1312 C MET A 142 8.842 6.156 -16.007 1.00 14.86 C ATOM 1313 O MET A 142 9.432 7.242 -15.921 1.00 15.37 O ATOM 1314 CB MET A 142 6.629 6.175 -17.051 1.00 15.59 C ATOM 1315 CG MET A 142 5.897 6.108 -18.348 1.00 20.01 C ATOM 1316 SD MET A 142 4.127 5.952 -18.035 1.00 17.89 S ATOM 1317 CE MET A 142 3.774 7.356 -16.937 1.00 20.55 C ATOM 1318 H MET A 142 7.486 3.692 -17.668 1.00 0.00 H ATOM 1319 N GLU A 143 8.645 5.385 -14.996 1.00 14.57 N ATOM 1320 CA GLU A 143 9.076 5.638 -13.661 1.00 16.46 C ATOM 1321 C GLU A 143 10.569 5.814 -13.589 1.00 16.84 C ATOM 1322 O GLU A 143 11.031 6.661 -12.781 1.00 17.76 O ATOM 1323 CB GLU A 143 8.552 4.567 -12.745 1.00 17.43 C ATOM 1324 CG GLU A 143 8.860 4.699 -11.262 1.00 20.97 C ATOM 1325 CD GLU A 143 8.532 3.474 -10.466 1.00 22.59 C ATOM 1326 OE1 GLU A 143 8.429 2.335 -11.042 1.00 21.58 O ATOM 1327 OE2 GLU A 143 8.359 3.637 -9.239 1.00 19.31 O ATOM 1328 H GLU A 143 8.126 4.500 -15.168 1.00 0.00 H ATOM 1329 N ARG A 144 11.312 5.116 -14.428 1.00 16.79 N ATOM 1330 CA ARG A 144 12.757 5.264 -14.476 1.00 16.10 C ATOM 1331 C ARG A 144 13.220 6.593 -14.959 1.00 15.04 C ATOM 1332 O ARG A 144 14.372 6.938 -14.722 1.00 18.95 O ATOM 1333 CB ARG A 144 13.383 4.114 -15.292 1.00 16.16 C ATOM 1334 CG ARG A 144 13.226 2.814 -14.605 1.00 19.72 C ATOM 1335 CD ARG A 144 13.955 1.625 -15.225 1.00 24.23 C ATOM 1336 NE ARG A 144 13.243 1.023 -16.335 1.00 30.68 N ATOM 1337 CZ ARG A 144 12.405 -0.018 -16.241 1.00 26.87 C ATOM 1338 NH1 ARG A 144 11.830 -0.452 -17.330 1.00 31.15 N ATOM 1339 NH2 ARG A 144 12.160 -0.587 -15.094 1.00 31.58 N ATOM 1340 HE ARG A 144 13.395 1.432 -17.279 1.00 0.00 H ATOM 1341 HH12 ARG A 144 11.175 -1.259 -17.286 1.00 0.00 H ATOM 1342 HH11 ARG A 144 12.027 0.009 -18.241 1.00 0.00 H ATOM 1343 HH22 ARG A 144 11.506 -1.394 -15.043 1.00 0.00 H ATOM 1344 HH21 ARG A 144 12.618 -0.234 -14.230 1.00 0.00 H ATOM 1345 H ARG A 144 10.851 4.442 -15.072 1.00 0.00 H ATOM 1346 N PHE A 145 12.397 7.386 -15.611 1.00 13.54 N ATOM 1347 CA PHE A 145 12.680 8.763 -15.968 1.00 14.11 C ATOM 1348 C PHE A 145 12.430 9.784 -14.866 1.00 14.83 C ATOM 1349 O PHE A 145 12.661 10.983 -15.073 1.00 16.68 O ATOM 1350 CB PHE A 145 12.032 9.228 -17.283 1.00 16.12 C ATOM 1351 CG PHE A 145 12.483 8.377 -18.448 1.00 15.59 C ATOM 1352 CD1 PHE A 145 13.758 8.581 -19.022 1.00 18.90 C ATOM 1353 CD2 PHE A 145 11.743 7.341 -18.902 1.00 16.45 C ATOM 1354 CE1 PHE A 145 14.218 7.696 -20.028 1.00 20.10 C ATOM 1355 CE2 PHE A 145 12.198 6.522 -19.957 1.00 16.24 C ATOM 1356 CZ PHE A 145 13.418 6.698 -20.497 1.00 18.53 C ATOM 1357 H PHE A 145 11.474 6.996 -15.891 1.00 0.00 H ATOM 1358 N GLY A 146 11.916 9.370 -13.746 1.00 13.95 N ATOM 1359 CA GLY A 146 11.662 10.281 -12.649 1.00 14.29 C ATOM 1360 C GLY A 146 12.901 10.481 -11.784 1.00 14.44 C ATOM 1361 O GLY A 146 14.018 9.935 -12.078 1.00 16.67 O ATOM 1362 H GLY A 146 11.682 8.363 -13.635 1.00 0.00 H ATOM 1363 N SER A 147 12.719 11.133 -10.647 1.00 14.22 N ATOM 1364 CA SER A 147 13.823 11.497 -9.749 1.00 13.86 C ATOM 1365 C SER A 147 13.276 11.626 -8.364 1.00 13.85 C ATOM 1366 O SER A 147 12.065 11.683 -8.183 1.00 13.43 O ATOM 1367 CB SER A 147 14.555 12.783 -10.225 1.00 15.09 C ATOM 1368 OG SER A 147 13.761 13.864 -10.083 1.00 16.37 O ATOM 1369 HG SER A 147 12.941 13.743 -10.624 1.00 0.00 H ATOM 1370 H SER A 147 11.751 11.400 -10.377 1.00 0.00 H ATOM 1371 N ARG A 148 14.112 11.792 -7.377 1.00 13.67 N ATOM 1372 CA ARG A 148 13.617 11.938 -5.967 1.00 13.76 C ATOM 1373 C ARG A 148 12.747 13.177 -5.761 1.00 15.08 C ATOM 1374 O ARG A 148 11.755 13.023 -5.054 1.00 14.91 O ATOM 1375 CB ARG A 148 14.836 12.003 -5.030 1.00 14.56 C ATOM 1376 CG ARG A 148 15.544 10.690 -4.787 1.00 16.72 C ATOM 1377 CD ARG A 148 14.753 9.676 -4.054 1.00 15.40 C ATOM 1378 NE ARG A 148 14.272 10.119 -2.756 1.00 14.97 N ATOM 1379 CZ ARG A 148 14.973 10.180 -1.615 1.00 13.99 C ATOM 1380 NH1 ARG A 148 14.391 10.640 -0.535 1.00 14.21 N ATOM 1381 NH2 ARG A 148 16.236 9.798 -1.554 1.00 16.86 N ATOM 1382 HE ARG A 148 13.278 10.421 -2.707 1.00 0.00 H ATOM 1383 HH12 ARG A 148 14.921 10.694 0.358 1.00 0.00 H ATOM 1384 HH11 ARG A 148 13.399 10.951 -0.571 1.00 0.00 H ATOM 1385 HH22 ARG A 148 16.754 9.857 -0.654 1.00 0.00 H ATOM 1386 HH21 ARG A 148 16.712 9.438 -2.406 1.00 0.00 H ATOM 1387 H ARG A 148 15.134 11.824 -7.569 1.00 0.00 H ATOM 1388 N ASN A 149 13.023 14.290 -6.441 1.00 13.97 N ATOM 1389 CA ASN A 149 12.247 15.463 -6.331 1.00 16.12 C ATOM 1390 C ASN A 149 11.111 15.560 -7.325 1.00 16.13 C ATOM 1391 O ASN A 149 10.347 16.499 -7.271 1.00 17.77 O ATOM 1392 CB ASN A 149 13.130 16.735 -6.372 1.00 19.30 C ATOM 1393 CG ASN A 149 13.670 17.107 -7.718 1.00 24.11 C ATOM 1394 OD1 ASN A 149 13.269 16.621 -8.745 1.00 21.23 O ATOM 1395 ND2 ASN A 149 14.611 18.098 -7.715 1.00 25.82 N ATOM 1396 HD22 ASN A 149 14.940 18.500 -6.814 1.00 0.00 H ATOM 1397 HD21 ASN A 149 14.998 18.450 -8.614 1.00 0.00 H ATOM 1398 H ASN A 149 13.844 14.294 -7.079 1.00 0.00 H ATOM 1399 N GLY A 150 10.979 14.583 -8.208 1.00 13.20 N ATOM 1400 CA GLY A 150 9.883 14.492 -9.151 1.00 12.37 C ATOM 1401 C GLY A 150 10.178 14.913 -10.532 1.00 12.62 C ATOM 1402 O GLY A 150 9.462 14.654 -11.450 1.00 13.50 O ATOM 1403 H GLY A 150 11.704 13.838 -8.226 1.00 0.00 H ATOM 1404 N LYS A 151 11.245 15.708 -10.710 1.00 13.94 N ATOM 1405 CA LYS A 151 11.538 16.259 -12.047 1.00 15.72 C ATOM 1406 C LYS A 151 12.006 15.157 -12.955 1.00 14.86 C ATOM 1407 O LYS A 151 12.742 14.252 -12.545 1.00 15.81 O ATOM 1408 CB LYS A 151 12.644 17.308 -11.903 1.00 17.63 C ATOM 1409 CG LYS A 151 13.096 17.906 -13.207 1.00 21.65 C ATOM 1410 CD LYS A 151 14.307 18.769 -12.972 1.00 23.45 C ATOM 1411 CE LYS A 151 14.010 20.233 -13.240 1.00 25.60 C ATOM 1412 NZ LYS A 151 14.175 20.513 -14.703 1.00 26.78 N ATOM 1413 HZ1 LYS A 151 15.152 20.298 -14.988 1.00 0.00 H ATOM 1414 HZ2 LYS A 151 13.516 19.919 -15.245 1.00 0.00 H ATOM 1415 HZ3 LYS A 151 13.972 21.516 -14.888 1.00 0.00 H ATOM 1416 H LYS A 151 11.865 15.935 -9.906 1.00 0.00 H ATOM 1417 N THR A 152 11.478 15.127 -14.196 1.00 14.94 N ATOM 1418 CA THR A 152 11.803 13.941 -15.076 1.00 14.94 C ATOM 1419 C THR A 152 13.033 14.285 -15.923 1.00 15.30 C ATOM 1420 O THR A 152 13.272 15.514 -16.256 1.00 17.62 O ATOM 1421 CB THR A 152 10.641 13.551 -15.968 1.00 15.25 C ATOM 1422 OG1 THR A 152 10.251 14.662 -16.772 1.00 17.41 O ATOM 1423 CG2 THR A 152 9.403 13.220 -15.111 1.00 15.79 C ATOM 1424 HG1 THR A 152 9.492 14.399 -17.351 1.00 0.00 H ATOM 1425 H THR A 152 10.866 15.896 -14.537 1.00 0.00 H ATOM 1426 N SER A 153 13.781 13.299 -16.315 1.00 15.92 N ATOM 1427 CA SER A 153 15.029 13.536 -17.114 1.00 17.65 C ATOM 1428 C SER A 153 14.732 13.568 -18.612 1.00 18.35 C ATOM 1429 O SER A 153 15.547 14.029 -19.395 1.00 20.46 O ATOM 1430 CB SER A 153 16.008 12.498 -16.791 1.00 20.89 C ATOM 1431 OG SER A 153 15.477 11.186 -16.886 1.00 19.70 O ATOM 1432 HG SER A 153 16.181 10.529 -16.657 1.00 0.00 H ATOM 1433 H SER A 153 13.510 12.325 -16.070 1.00 0.00 H ATOM 1434 N LYS A 154 13.572 13.038 -19.034 1.00 17.83 N ATOM 1435 CA LYS A 154 13.011 13.189 -20.358 1.00 14.95 C ATOM 1436 C LYS A 154 11.539 13.536 -20.247 1.00 16.88 C ATOM 1437 O LYS A 154 10.884 13.349 -19.192 1.00 15.05 O ATOM 1438 CB LYS A 154 13.184 11.882 -21.162 1.00 19.75 C ATOM 1439 CG LYS A 154 14.674 11.601 -21.392 1.00 22.22 C ATOM 1440 CD LYS A 154 14.882 10.548 -22.494 1.00 23.15 C ATOM 1441 CE LYS A 154 16.329 10.094 -22.637 1.00 28.71 C ATOM 1442 NZ LYS A 154 16.361 9.054 -23.709 1.00 34.20 N ATOM 1443 HZ1 LYS A 154 15.752 8.257 -23.435 1.00 0.00 H ATOM 1444 HZ2 LYS A 154 16.016 9.465 -24.600 1.00 0.00 H ATOM 1445 HZ3 LYS A 154 17.337 8.718 -23.836 1.00 0.00 H ATOM 1446 H LYS A 154 13.031 12.471 -18.350 1.00 0.00 H ATOM 1447 N LYS A 155 10.984 14.102 -21.268 1.00 15.73 N ATOM 1448 CA LYS A 155 9.636 14.594 -21.220 1.00 15.86 C ATOM 1449 C LYS A 155 8.757 13.355 -21.461 1.00 15.10 C ATOM 1450 O LYS A 155 8.783 12.825 -22.552 1.00 15.61 O ATOM 1451 CB LYS A 155 9.411 15.736 -22.250 1.00 16.80 C ATOM 1452 CG LYS A 155 7.974 16.234 -22.282 1.00 18.88 C ATOM 1453 CD LYS A 155 7.703 17.049 -21.048 1.00 21.91 C ATOM 1454 CE LYS A 155 6.437 17.894 -21.178 1.00 26.10 C ATOM 1455 NZ LYS A 155 6.367 18.946 -20.151 1.00 32.87 N ATOM 1456 HZ1 LYS A 155 6.370 18.508 -19.208 1.00 0.00 H ATOM 1457 HZ2 LYS A 155 7.189 19.576 -20.245 1.00 0.00 H ATOM 1458 HZ3 LYS A 155 5.492 19.494 -20.277 1.00 0.00 H ATOM 1459 H LYS A 155 11.529 14.204 -22.148 1.00 0.00 H ATOM 1460 N ILE A 156 7.849 13.062 -20.523 1.00 14.17 N ATOM 1461 CA ILE A 156 6.939 11.892 -20.654 1.00 13.88 C ATOM 1462 C ILE A 156 5.534 12.397 -20.988 1.00 14.76 C ATOM 1463 O ILE A 156 4.916 13.078 -20.165 1.00 15.97 O ATOM 1464 CB ILE A 156 6.914 11.198 -19.263 1.00 13.96 C ATOM 1465 CG1 ILE A 156 8.334 10.891 -18.811 1.00 15.10 C ATOM 1466 CG2 ILE A 156 6.098 9.892 -19.384 1.00 14.88 C ATOM 1467 CD1 ILE A 156 9.158 10.069 -19.807 1.00 16.64 C ATOM 1468 H ILE A 156 7.777 13.668 -19.681 1.00 0.00 H ATOM 1469 N THR A 157 5.035 12.105 -22.164 1.00 13.56 N ATOM 1470 CA THR A 157 3.742 12.624 -22.626 1.00 14.49 C ATOM 1471 C THR A 157 2.735 11.507 -22.899 1.00 12.86 C ATOM 1472 O THR A 157 3.126 10.330 -23.165 1.00 13.66 O ATOM 1473 CB THR A 157 3.898 13.424 -23.900 1.00 15.60 C ATOM 1474 OG1 THR A 157 4.577 12.633 -24.874 1.00 16.65 O ATOM 1475 CG2 THR A 157 4.666 14.701 -23.550 1.00 16.14 C ATOM 1476 HG1 THR A 157 4.680 13.156 -25.709 1.00 0.00 H ATOM 1477 H THR A 157 5.577 11.481 -22.795 1.00 0.00 H ATOM 1478 N ILE A 158 1.475 11.894 -22.854 1.00 13.16 N ATOM 1479 CA ILE A 158 0.373 11.123 -23.345 1.00 11.98 C ATOM 1480 C ILE A 158 0.206 11.476 -24.807 1.00 12.91 C ATOM 1481 O ILE A 158 -0.430 12.495 -25.160 1.00 13.27 O ATOM 1482 CB ILE A 158 -0.876 11.313 -22.515 1.00 12.65 C ATOM 1483 CG1 ILE A 158 -0.611 11.040 -21.022 1.00 12.79 C ATOM 1484 CG2 ILE A 158 -2.017 10.533 -23.088 1.00 14.24 C ATOM 1485 CD1 ILE A 158 -1.779 11.423 -20.096 1.00 14.29 C ATOM 1486 H ILE A 158 1.268 12.822 -22.433 1.00 0.00 H ATOM 1487 N ALA A 159 0.851 10.760 -25.695 1.00 14.68 N ATOM 1488 CA ALA A 159 0.796 11.048 -27.138 1.00 13.63 C ATOM 1489 C ALA A 159 -0.584 10.840 -27.661 1.00 15.13 C ATOM 1490 O ALA A 159 -1.020 11.554 -28.551 1.00 18.86 O ATOM 1491 CB ALA A 159 1.829 10.138 -27.908 1.00 15.68 C ATOM 1492 H ALA A 159 1.424 9.957 -25.368 1.00 0.00 H ATOM 1493 N ASP A 160 -1.276 9.821 -27.174 1.00 14.89 N ATOM 1494 CA ASP A 160 -2.661 9.583 -27.537 1.00 14.47 C ATOM 1495 C ASP A 160 -3.393 8.924 -26.405 1.00 12.98 C ATOM 1496 O ASP A 160 -2.750 8.395 -25.506 1.00 14.68 O ATOM 1497 CB ASP A 160 -2.760 8.712 -28.793 1.00 16.91 C ATOM 1498 CG ASP A 160 -4.076 8.866 -29.503 1.00 18.53 C ATOM 1499 OD1 ASP A 160 -4.881 9.780 -29.260 1.00 19.54 O ATOM 1500 OD2 ASP A 160 -4.223 7.958 -30.384 1.00 23.27 O ATOM 1501 H ASP A 160 -0.811 9.170 -26.509 1.00 0.00 H ATOM 1502 N CYS A 161 -4.711 9.045 -26.356 1.00 14.09 N ATOM 1503 CA CYS A 161 -5.549 8.439 -25.357 1.00 13.64 C ATOM 1504 C CYS A 161 -6.952 8.273 -25.844 1.00 15.08 C ATOM 1505 O CYS A 161 -7.372 8.981 -26.756 1.00 16.61 O ATOM 1506 CB CYS A 161 -5.443 9.227 -24.015 1.00 13.13 C ATOM 1507 SG CYS A 161 -5.724 10.991 -24.095 1.00 14.13 S ATOM 1508 H CYS A 161 -5.172 9.618 -27.091 1.00 0.00 H ATOM 1509 N GLY A 162 -7.645 7.334 -25.253 1.00 13.87 N ATOM 1510 CA GLY A 162 -9.061 7.192 -25.548 1.00 15.28 C ATOM 1511 C GLY A 162 -9.624 6.019 -24.825 1.00 16.44 C ATOM 1512 O GLY A 162 -9.001 5.499 -23.865 1.00 16.14 O ATOM 1513 H GLY A 162 -7.185 6.693 -24.576 1.00 0.00 H ATOM 1514 N GLN A 163 -10.796 5.567 -25.276 1.00 17.09 N ATOM 1515 CA GLN A 163 -11.530 4.497 -24.660 1.00 18.39 C ATOM 1516 C GLN A 163 -11.445 3.252 -25.489 1.00 19.60 C ATOM 1517 O GLN A 163 -11.521 3.380 -26.741 1.00 22.40 O ATOM 1518 CB GLN A 163 -12.960 4.966 -24.467 1.00 18.38 C ATOM 1519 CG GLN A 163 -13.792 3.967 -23.685 1.00 17.47 C ATOM 1520 CD GLN A 163 -15.094 4.526 -23.253 1.00 16.99 C ATOM 1521 OE1 GLN A 163 -15.362 5.722 -23.438 1.00 18.89 O ATOM 1522 NE2 GLN A 163 -15.840 3.724 -22.552 1.00 19.75 N ATOM 1523 HE22 GLN A 163 -15.563 2.729 -22.432 1.00 0.00 H ATOM 1524 HE21 GLN A 163 -16.713 4.078 -22.112 1.00 0.00 H ATOM 1525 H GLN A 163 -11.201 6.015 -26.122 1.00 0.00 H ATOM 1526 N LEU A 164 -11.158 2.109 -24.880 1.00 19.73 N ATOM 1527 CA LEU A 164 -11.220 0.804 -25.504 1.00 21.15 C ATOM 1528 C LEU A 164 -12.557 0.154 -25.341 1.00 24.25 C ATOM 1529 O LEU A 164 -13.270 0.433 -24.434 1.00 24.24 O ATOM 1530 CB LEU A 164 -10.158 -0.123 -24.918 1.00 20.76 C ATOM 1531 CG LEU A 164 -8.687 0.344 -25.075 1.00 21.56 C ATOM 1532 CD1 LEU A 164 -7.617 -0.584 -24.482 1.00 24.62 C ATOM 1533 CD2 LEU A 164 -8.383 0.605 -26.521 1.00 23.20 C ATOM 1534 H LEU A 164 -10.868 2.153 -23.882 1.00 0.00 H ATOM 1535 N GLU A 165 -12.771 -0.862 -26.175 1.00 29.68 N ATOM 1536 CA GLU A 165 -14.019 -1.619 -26.155 1.00 39.64 C ATOM 1537 C GLU A 165 -13.958 -2.649 -25.023 1.00 46.20 C ATOM 1538 O GLU A 165 -14.388 -3.792 -25.200 1.00 57.66 O ATOM 1539 CB GLU A 165 -14.260 -2.328 -27.517 1.00 45.97 C ATOM 1540 CG GLU A 165 -13.981 -1.485 -28.768 1.00 53.27 C ATOM 1541 CD GLU A 165 -14.756 -0.180 -28.816 1.00 59.85 C ATOM 1542 OE1 GLU A 165 -15.921 -0.154 -28.330 1.00 59.09 O ATOM 1543 OE2 GLU A 165 -14.203 0.819 -29.360 1.00 68.09 O ATOM 1544 OXT GLU A 165 -13.482 -2.398 -23.904 1.00 55.01 O ATOM 1545 H GLU A 165 -12.031 -1.123 -26.857 1.00 0.00 H TER 1546 GLU A 165 HETATM 1547 O HOH 1 13.271 0.586 -18.794 1.00 31.71 O HETATM 1548 O HOH 2 -3.333 -3.513 -5.171 1.00 38.00 O HETATM 1549 O HOH 3 3.480 1.327 2.243 1.00 36.59 O HETATM 1550 O HOH 4 -5.857 24.602 -9.559 1.00 39.71 O HETATM 1551 O HOH 5 -23.659 -5.317 -16.946 1.00 50.65 O HETATM 1552 O HOH 6 -1.597 16.261 3.289 1.00 34.86 O HETATM 1553 O HOH 7 -20.041 14.157 -23.845 1.00 39.07 O HETATM 1554 O HOH 8 1.880 -5.171 -19.810 1.00 25.20 O HETATM 1555 O HOH 9 -20.396 12.870 -19.215 1.00 29.19 O HETATM 1556 O HOH 10 7.255 -5.349 -15.696 1.00 27.58 O HETATM 1557 O HOH 11 12.301 12.115 -30.428 1.00 46.23 O HETATM 1558 O HOH 12 -3.516 5.529 -30.416 1.00 35.84 O HETATM 1559 O HOH 13 -2.590 -2.685 -11.617 1.00 30.09 O HETATM 1560 O HOH 14 -19.811 18.660 -8.269 1.00 31.73 O HETATM 1561 O HOH 15 5.411 20.760 -18.595 1.00 28.72 O HETATM 1562 O HOH 16 16.950 9.720 -18.409 1.00 34.87 O HETATM 1563 O HOH 17 -7.133 24.702 -12.306 1.00 36.36 O HETATM 1564 O HOH 18 -7.054 11.282 -30.462 1.00 42.46 O HETATM 1565 O HOH 19 5.005 1.852 0.190 1.00 26.08 O HETATM 1566 O HOH 20 -8.196 -0.054 -4.461 1.00 32.39 O HETATM 1567 O HOH 21 -14.466 -3.601 -17.446 1.00 31.34 O HETATM 1568 O HOH 22 -14.614 0.917 -22.259 1.00 18.58 O HETATM 1569 O HOH 23 9.310 17.203 -4.755 1.00 18.75 O HETATM 1570 O HOH 24 9.072 3.243 -2.022 1.00 24.82 O HETATM 1571 O HOH 25 -18.161 20.665 -9.568 1.00 25.10 O HETATM 1572 O HOH 26 -9.015 21.941 -10.427 1.00 33.70 O HETATM 1573 O HOH 27 -19.931 12.823 -5.720 1.00 19.51 O HETATM 1574 O HOH 28 -4.071 0.834 1.655 1.00 22.31 O HETATM 1575 O HOH 29 -6.549 28.845 -14.428 1.00 29.81 O HETATM 1576 O HOH 30 -6.057 26.157 -14.435 1.00 31.85 O HETATM 1577 O HOH 31 -21.294 8.324 -6.131 1.00 21.28 O HETATM 1578 O HOH 32 -13.341 15.796 -22.466 1.00 17.11 O HETATM 1579 O HOH 33 4.048 13.290 -27.408 1.00 32.91 O HETATM 1580 O HOH 34 -9.506 15.096 0.296 1.00 12.90 O HETATM 1581 O HOH 35 8.520 1.524 -7.594 1.00 35.04 O HETATM 1582 O HOH 36 -6.901 2.046 4.774 1.00 32.94 O HETATM 1583 O HOH 37 10.553 1.444 -12.431 1.00 20.29 O HETATM 1584 O HOH 38 0.698 -3.680 -1.067 1.00 40.36 O HETATM 1585 O HOH 39 -7.337 16.571 -9.418 1.00 12.67 O HETATM 1586 O HOH 40 -10.997 6.159 -2.584 1.00 12.57 O HETATM 1587 O HOH 41 7.456 18.437 -11.189 1.00 28.47 O HETATM 1588 O HOH 42 -10.025 3.809 -28.950 1.00 37.58 O HETATM 1589 O HOH 43 8.906 -0.004 -25.382 1.00 26.24 O HETATM 1590 O HOH 44 -16.738 14.868 -0.155 1.00 14.06 O HETATM 1591 O HOH 45 -6.181 -3.334 -22.069 1.00 28.15 O HETATM 1592 O HOH 46 9.589 -1.954 -17.686 1.00 21.20 O HETATM 1593 O HOH 47 -2.042 14.728 0.013 1.00 33.48 O HETATM 1594 O HOH 48 15.709 10.139 -14.204 1.00 33.94 O HETATM 1595 O HOH 49 -0.540 30.531 -11.538 1.00 38.42 O HETATM 1596 O HOH 50 -17.404 -4.181 -15.069 1.00 29.03 O HETATM 1597 O HOH 51 -12.991 23.137 -2.967 1.00 40.82 O HETATM 1598 O HOH 52 0.031 19.926 -20.686 1.00 17.73 O HETATM 1599 O HOH 53 -3.316 -9.504 -20.722 1.00 26.25 O HETATM 1600 O HOH 54 -5.040 7.295 5.808 1.00 35.19 O HETATM 1601 O HOH 55 -14.594 22.643 -16.426 1.00 33.36 O HETATM 1602 O HOH 56 -5.024 9.764 5.047 1.00 30.70 O HETATM 1603 O HOH 57 9.882 13.960 -3.298 1.00 18.40 O HETATM 1604 O HOH 58 -0.741 13.990 -18.097 1.00 13.66 O HETATM 1605 O HOH 59 -3.683 17.963 -22.941 1.00 15.59 O HETATM 1606 O HOH 60 0.512 17.230 -15.996 1.00 12.62 O HETATM 1607 O HOH 61 -20.479 3.412 -4.748 1.00 26.73 O HETATM 1608 O HOH 62 -14.181 -2.162 -20.459 1.00 30.87 O HETATM 1609 O HOH 63 -0.874 11.994 4.069 1.00 29.16 O HETATM 1610 O HOH 64 -14.735 -4.772 -14.730 1.00 35.56 O HETATM 1611 O HOH 65 -16.228 6.458 -25.943 1.00 32.84 O HETATM 1612 O HOH 66 2.014 16.182 -6.109 1.00 27.77 O HETATM 1613 O HOH 67 7.743 14.563 -18.028 1.00 15.24 O HETATM 1614 O HOH 68 2.298 27.906 -11.830 1.00 28.00 O HETATM 1615 O HOH 69 6.101 20.695 -11.968 1.00 26.68 O HETATM 1616 O HOH 70 15.907 12.009 -25.795 1.00 31.63 O HETATM 1617 O HOH 71 0.190 13.143 1.932 1.00 19.32 O HETATM 1618 O HOH 72 -15.776 25.888 -12.211 1.00 37.31 O HETATM 1619 O HOH 73 7.327 12.974 -24.965 1.00 17.09 O HETATM 1620 O HOH 74 -0.750 -3.650 -6.785 1.00 35.96 O HETATM 1621 O HOH 75 -10.832 22.727 0.130 1.00 25.88 O HETATM 1622 O HOH 76 -6.468 19.313 -11.678 1.00 12.64 O HETATM 1623 O HOH 77 -8.681 21.466 -25.601 1.00 26.50 O HETATM 1624 O HOH 78 -12.323 -1.196 -0.917 1.00 34.71 O HETATM 1625 O HOH 79 -9.201 13.144 -4.026 1.00 12.79 O HETATM 1626 O HOH 80 11.707 11.217 -2.917 1.00 16.92 O HETATM 1627 O HOH 81 -11.555 11.843 -12.252 1.00 14.73 O HETATM 1628 O HOH 82 -20.446 11.807 -3.250 1.00 16.97 O HETATM 1629 O HOH 83 9.266 17.013 -14.693 1.00 19.01 O HETATM 1630 O HOH 84 -18.922 10.859 0.133 1.00 33.23 O HETATM 1631 O HOH 85 4.622 -2.868 -10.415 1.00 28.34 O HETATM 1632 O HOH 86 -19.032 6.313 -14.474 1.00 21.92 O HETATM 1633 O HOH 87 3.419 22.286 -8.915 1.00 29.64 O HETATM 1634 O HOH 88 -14.012 12.339 -6.225 1.00 12.41 O HETATM 1635 O HOH 89 -3.606 17.448 -0.892 1.00 18.22 O HETATM 1636 O HOH 90 -10.028 16.736 -3.063 1.00 11.99 O HETATM 1637 O HOH 91 -19.588 9.421 -24.696 1.00 32.41 O HETATM 1638 O HOH 92 -11.891 6.883 -27.506 1.00 23.98 O HETATM 1639 O HOH 93 -21.072 12.009 -13.725 1.00 20.83 O HETATM 1640 O HOH 94 -17.899 6.376 -16.943 1.00 20.05 O HETATM 1641 O HOH 95 -9.907 5.720 4.220 1.00 33.23 O HETATM 1642 O HOH 96 -17.949 -3.902 -12.132 1.00 29.09 O HETATM 1643 O HOH 97 -0.576 14.338 -28.718 1.00 28.17 O HETATM 1644 O HOH 98 -6.144 -4.389 -12.980 1.00 29.00 O HETATM 1645 O HOH 99 2.501 18.138 -8.848 1.00 16.60 O HETATM 1646 O HOH 100 -22.230 3.562 -10.387 1.00 33.41 O HETATM 1647 O HOH 101 -13.156 14.957 1.870 1.00 15.26 O HETATM 1648 O HOH 102 -20.277 17.388 -17.374 1.00 30.94 O HETATM 1649 O HOH 103 12.847 3.323 -18.869 1.00 21.15 O HETATM 1650 O HOH 104 0.956 18.367 -18.659 1.00 19.51 O HETATM 1651 O HOH 105 15.467 14.391 -13.343 1.00 24.09 O HETATM 1652 O HOH 106 3.188 5.212 -27.589 1.00 18.72 O HETATM 1653 O HOH 107 13.393 9.101 -26.132 1.00 28.53 O HETATM 1654 O HOH 108 6.542 5.997 -1.503 1.00 14.89 O HETATM 1655 O HOH 109 -6.068 17.514 -25.518 1.00 22.88 O HETATM 1656 O HOH 110 0.123 19.081 -7.711 1.00 25.15 O HETATM 1657 O HOH 111 -0.193 19.308 -25.353 1.00 36.73 O HETATM 1658 O HOH 112 -1.459 19.531 -3.879 1.00 31.42 O HETATM 1659 O HOH 113 12.797 8.158 -5.783 1.00 33.73 O HETATM 1660 O HOH 114 -13.209 5.151 -3.979 1.00 14.53 O HETATM 1661 O HOH 115 -10.430 11.218 -29.276 1.00 44.93 O HETATM 1662 O HOH 116 -11.547 21.836 -28.340 1.00 33.66 O HETATM 1663 O HOH 117 7.742 19.270 -4.643 1.00 27.36 O HETATM 1664 O HOH 118 4.904 -0.755 -1.795 1.00 28.98 O HETATM 1665 O HOH 119 -18.384 4.112 -21.243 1.00 31.44 O HETATM 1666 O HOH 120 -8.735 6.498 -0.426 1.00 14.24 O HETATM 1667 O HOH 121 10.433 -2.907 -15.125 1.00 23.89 O HETATM 1668 O HOH 122 -7.884 13.716 -24.515 1.00 17.47 O HETATM 1669 O HOH 123 -11.567 9.590 -28.163 1.00 31.39 O HETATM 1670 O HOH 124 5.815 -0.506 -9.362 1.00 37.79 O HETATM 1671 O HOH 125 16.909 11.302 -7.966 1.00 25.43 O HETATM 1672 O HOH 126 13.414 23.021 -13.461 1.00 35.80 O HETATM 1673 O HOH 127 15.811 14.775 -7.086 1.00 31.14 O HETATM 1674 O HOH 128 -0.896 13.565 -6.070 1.00 22.79 O HETATM 1675 O HOH 129 -10.505 17.380 -26.651 1.00 31.87 O HETATM 1676 O HOH 130 -20.663 7.979 -19.968 1.00 30.65 O HETATM 1677 O HOH 131 16.190 5.260 -13.175 1.00 43.84 O HETATM 1678 O HOH 132 -9.573 -1.121 -1.755 1.00 23.91 O HETATM 1679 O HOH 133 4.546 25.087 -16.794 1.00 16.01 O HETATM 1680 O HOH 134 1.851 11.854 0.032 1.00 15.40 O HETATM 1681 O HOH 135 -6.985 0.901 -29.743 1.00 31.35 O HETATM 1682 O HOH 136 18.109 8.677 -3.518 1.00 26.58 O HETATM 1683 O HOH 137 5.510 3.528 -0.335 1.00 33.63 O HETATM 1684 O HOH 138 -16.437 6.605 1.637 1.00 20.99 O HETATM 1685 O HOH 139 -13.110 -1.870 -7.459 1.00 39.96 O HETATM 1686 O HOH 140 11.676 16.352 -18.738 1.00 49.19 O HETATM 1687 O HOH 141 -17.662 19.795 -19.539 1.00 33.89 O HETATM 1688 O HOH 142 -19.984 -0.179 -14.134 1.00 32.57 O HETATM 1689 O HOH 143 -3.854 4.318 6.317 1.00 39.26 O HETATM 1690 O HOH 144 0.494 -5.061 -16.749 1.00 23.30 O HETATM 1691 O HOH 145 -2.191 15.632 -4.831 1.00 16.35 O HETATM 1692 O HOH 146 -9.416 25.852 -20.149 1.00 31.05 O HETATM 1693 O HOH 147 13.303 6.341 -4.804 1.00 34.58 O HETATM 1694 O HOH 148 -20.547 7.458 -3.478 1.00 20.05 O HETATM 1695 O HOH 149 8.435 -3.821 -21.723 1.00 20.27 O HETATM 1696 O HOH 150 -18.199 20.381 -6.025 1.00 29.72 O HETATM 1697 O HOH 151 -7.411 24.364 -2.727 1.00 33.77 O HETATM 1698 O HOH 152 -15.894 20.974 -5.005 1.00 37.34 O HETATM 1699 O HOH 153 -0.050 -6.048 -19.603 1.00 29.27 O HETATM 1700 O HOH 154 -1.134 2.471 -3.778 1.00 19.38 O HETATM 1701 O HOH 155 -7.167 20.056 -23.513 1.00 26.46 O HETATM 1702 O HOH 156 10.398 5.535 -25.895 1.00 30.25 O HETATM 1703 O HOH 157 -8.081 11.952 -26.708 1.00 23.80 O HETATM 1704 O HOH 158 -14.900 24.766 -8.985 1.00 34.77 O HETATM 1705 O HOH 159 15.058 6.942 -11.721 1.00 35.48 O HETATM 1706 O HOH 160 0.140 28.273 -10.250 1.00 40.70 O HETATM 1707 O HOH 161 11.860 18.270 -16.030 1.00 40.92 O HETATM 1708 O HOH 162 13.880 20.943 -6.689 1.00 38.91 O HETATM 1709 O HOH 163 6.522 25.485 -13.754 1.00 24.60 O HETATM 1710 O HOH 164 3.225 -5.689 -17.350 1.00 32.55 O HETATM 1711 O HOH 165 8.334 17.109 -17.363 1.00 25.22 O HETATM 1712 O HOH 166 14.130 6.831 -24.155 1.00 32.08 O HETATM 1713 O HOH 167 -9.123 25.505 -15.645 1.00 32.39 O HETATM 1714 O HOH 168 11.155 3.311 -26.822 1.00 46.90 O HETATM 1715 O HOH 169 4.395 -6.771 -19.519 1.00 27.63 O HETATM 1716 O HOH 170 -8.378 23.135 -7.173 1.00 45.67 O HETATM 1717 O HOH 171 -23.409 14.627 -9.290 1.00 39.49 O HETATM 1718 O HOH 172 5.843 13.838 -2.014 1.00 17.10 O HETATM 1719 O HOH 173 -20.777 14.921 -18.407 1.00 34.17 O HETATM 1720 O HOH 174 -16.171 1.597 -25.487 1.00 34.31 O HETATM 1721 O HOH 175 14.767 8.531 -7.668 1.00 41.20 O HETATM 1722 O HOH 176 -20.802 17.939 -20.016 1.00 39.24 O HETATM 1723 O HOH 177 16.415 16.378 -15.456 1.00 37.61 O HETATM 1724 O HOH 178 15.850 9.218 -8.703 1.00 34.58 O HETATM 1725 O HOH 179 -20.020 19.179 -10.144 1.00 31.12 O HETATM 1726 O HOH 180 4.821 8.997 -30.013 1.00 33.46 O HETATM 1727 O HOH 181 -10.243 23.492 -23.880 1.00 30.90 O HETATM 1728 O HOH 182 -21.767 9.809 -12.407 1.00 28.83 O HETATM 1729 O HOH 183 6.604 20.961 -14.820 1.00 30.21 O HETATM 1730 O HOH 184 5.199 18.641 -3.277 1.00 29.82 O HETATM 1731 O HOH 185 -2.908 28.198 -10.124 1.00 35.81 O HETATM 1732 O HOH 186 -13.656 25.038 -15.555 1.00 30.91 O HETATM 1733 O HOH 187 10.172 16.470 -25.956 1.00 45.68 O HETATM 1734 O HOH 188 -19.954 7.104 -22.517 1.00 38.55 O HETATM 1735 O HOH 189 -4.327 -1.895 -23.753 1.00 32.77 O HETATM 1736 O HOH 190 -3.203 31.652 -11.864 1.00 40.62 O HETATM 1737 O HOH 191 -8.296 16.260 -25.583 1.00 28.14 O HETATM 1738 O HOH 192 7.641 15.487 -25.904 1.00 27.76 O HETATM 1739 O HOH 193 -1.493 19.479 -22.773 1.00 22.17 O HETATM 1740 O HOH 194 -16.365 -1.015 -22.113 1.00 39.95 O HETATM 1741 O HOH 195 -1.131 16.421 -2.280 1.00 30.06 O HETATM 1742 O HOH 196 -0.989 5.306 7.073 1.00 29.95 O HETATM 1743 O HOH 197 4.470 16.524 -1.526 1.00 32.60 O HETATM 1744 O HOH 198 -14.266 23.000 -0.638 1.00 30.15 O HETATM 1745 O HOH 199 -21.227 5.061 -2.548 1.00 28.82 O HETATM 1746 O HOH 200 -9.822 -3.066 -27.519 1.00 35.93 O HETATM 1747 O HOH 201 12.229 3.360 -10.827 1.00 24.78 O HETATM 1748 O HOH 202 -11.582 27.977 -21.180 1.00 29.62 O HETATM 1749 O HOH 203 -1.797 16.427 -28.919 1.00 34.07 O HETATM 1750 O HOH 204 3.376 18.873 -5.339 1.00 32.32 O HETATM 1751 O HOH 205 4.526 19.631 -7.970 1.00 31.70 O HETATM 1752 O HOH 206 17.164 12.403 -13.016 1.00 25.19 O HETATM 1753 O HOH 207 6.889 23.595 -15.867 1.00 29.08 O HETATM 1754 O HOH 208 -2.400 20.096 -0.496 1.00 44.98 O HETATM 1755 O HOH 209 2.916 14.374 -3.259 1.00 33.66 O HETATM 1756 O HOH 210 -7.154 -2.940 -7.549 1.00 39.57 O HETATM 1757 O HOH 211 7.385 19.878 -24.122 1.00 39.22 O HETATM 1758 O HOH 212 -21.544 4.961 -14.385 1.00 33.89 O HETATM 1759 O HOH 213 2.238 22.419 -6.372 1.00 37.87 O HETATM 1760 O HOH 214 -22.359 19.828 -7.933 1.00 30.84 O HETATM 1761 O HOH 215 16.868 3.450 -14.708 1.00 38.27 O HETATM 1762 O HOH 216 -6.035 -1.402 1.844 1.00 36.39 O HETATM 1763 O HOH 217 9.830 19.670 -14.491 1.00 38.61 O HETATM 1764 O HOH 218 -19.097 4.475 -18.488 1.00 25.20 O HETATM 1765 O HOH 219 14.466 4.467 -10.977 1.00 25.52 O HETATM 1766 O HOH 220 15.350 4.176 -18.681 1.00 30.06 O HETATM 1767 O HOH 221 -18.258 25.634 -13.799 1.00 39.84 O HETATM 1768 O HOH 222 -2.754 34.142 -13.840 1.00 26.17 O HETATM 1769 O HOH 223 -5.316 -9.281 -18.615 1.00 34.55 O HETATM 1770 O HOH 224 18.606 15.082 -16.095 1.00 35.58 O HETATM 1771 O HOH 225 12.393 3.331 -21.716 1.00 23.74 O HETATM 1772 O HOH 226 0.068 11.459 -4.645 1.00 20.37 O HETATM 1773 O HOH 227 0.925 12.929 -2.460 1.00 21.02 O HETATM 1774 O HOH 228 -23.999 4.779 -11.386 1.00 39.78 O HETATM 1775 O HOH 229 -23.241 6.385 -6.981 1.00 24.39 O HETATM 1776 O HOH 230 15.150 6.852 -6.823 1.00 34.17 O HETATM 1777 O HOH 231 -8.655 -1.063 -6.743 1.00 41.77 O HETATM 1778 O HOH 232 -14.634 7.823 -27.850 1.00 40.84 O HETATM 1779 O HOH 233 -8.317 -2.546 0.520 1.00 29.38 O HETATM 1780 O HOH 234 17.218 6.670 -5.185 1.00 38.89 O HETATM 1781 O HOH 235 -2.659 23.074 2.725 1.00 36.11 O HETATM 1782 O HOH 236 12.018 5.323 -23.600 1.00 28.68 O HETATM 1783 O HOH 237 15.377 5.085 -8.451 1.00 28.15 O HETATM 1784 N8 UNN A 238 -5.788 22.286 -8.939 1.00 -0.34 N HETATM 1785 C3 UNN A 238 -5.108 21.242 -8.452 1.00 0.08 C HETATM 1786 C2 UNN A 238 -5.604 19.922 -8.418 1.00 0.13 C HETATM 1787 N7 UNN A 238 -6.815 19.668 -8.936 1.00 -0.33 N HETATM 1788 H3 UNN A 238 -7.192 18.709 -8.919 1.00 0.17 H HETATM 1789 H4 UNN A 238 -7.368 20.431 -9.351 1.00 0.17 H HETATM 1790 N1 UNN A 238 -4.814 18.910 -7.898 1.00 -0.30 N HETATM 1791 C6 UNN A 238 -3.608 19.225 -7.382 1.00 -0.02 C HETATM 1792 C5 UNN A 238 -3.169 20.507 -7.360 1.00 -0.06 C HETATM 1793 C4 UNN A 238 -3.892 21.504 -7.930 1.00 -0.04 C HETATM 1794 H5 UNN A 238 -3.492 22.511 -7.966 1.00 0.06 H HETATM 1795 H6 UNN A 238 -2.225 20.740 -6.880 1.00 0.06 H HETATM 1796 H7 UNN A 238 -2.979 18.439 -6.978 1.00 0.07 H HETATM 1797 H1 UNN A 238 -5.364 23.225 -8.933 1.00 0.17 H HETATM 1798 H2 UNN A 238 -6.735 22.151 -9.320 1.00 0.17 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1784 1785 1797 1798 CONECT 1785 1784 1786 1793 CONECT 1786 1785 1787 1790 CONECT 1787 1786 1788 1789 CONECT 1788 1787 CONECT 1789 1787 CONECT 1790 1786 1791 CONECT 1791 1790 1792 1796 CONECT 1792 1791 1793 1795 CONECT 1793 1785 1792 1794 CONECT 1794 1793 CONECT 1795 1792 CONECT 1796 1791 CONECT 1797 1784 CONECT 1798 1784 MASTER 0 0 0 0 0 0 0 0 1797 1 19 13 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5lud
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ak4
RCSB PDB
PDBbind
165aa, >1AK4_1|Chains... at 100%
1nmk
RCSB PDB
PDBbind
165aa, >1NMK_1|Chains... at 100%
1w8l
RCSB PDB
PDBbind
165aa, >1W8L_1|Chain... at 100%
1w8m
RCSB PDB
PDBbind
165aa, >1W8M_1|Chain... at 100%
1ynd
RCSB PDB
PDBbind
165aa, >1YND_1|Chains... at 100%
2ms4
RCSB PDB
PDBbind
165aa, >2MS4_1|Chain... at 100%
2x2d
RCSB PDB
PDBbind
165aa, >2X2D_1|Chains... at 100%
4dgb
RCSB PDB
PDBbind
165aa, >4DGB_1|Chain... at 98%
4dge
RCSB PDB
PDBbind
165aa, >4DGE_1|Chains... at 98%
5t9u
RCSB PDB
PDBbind
164aa, >5T9U_1|Chains... at 100%
5t9w
RCSB PDB
PDBbind
164aa, >5T9W_1|Chain... at 100%
5t9z
RCSB PDB
PDBbind
163aa, >5T9Z_1|Chain... at 100%
5ta2
RCSB PDB
PDBbind
163aa, >5TA2_1|Chain... at 100%
5ta4
RCSB PDB
PDBbind
164aa, >5TA4_1|Chain... at 100%
6gji
RCSB PDB
PDBbind
165aa, >6GJI_1|Chain... at 100%
6gjj
RCSB PDB
PDBbind
165aa, >6GJJ_1|Chain... at 100%
6gjl
RCSB PDB
PDBbind
165aa, >6GJL_1|Chain... at 100%
6gjm
RCSB PDB
PDBbind
165aa, >6GJM_1|Chain... at 100%
6gjn
RCSB PDB
PDBbind
165aa, >6GJN_1|Chain... at 100%
6gjr
RCSB PDB
PDBbind
165aa, >6GJR_1|Chain... at 100%
6gjy
RCSB PDB
PDBbind
165aa, >6GJY_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5lud
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
cyclophilin A
Ligand Name
76X
EC.Number
E.C.-.-.-.-
Resolution
1.25(Å)
Affinity (Kd/Ki/IC50)
Kd=248uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) FEBS Open Bio Vol. 7: pp. 533-549
Ligand Properties
Formula
C
5
H
7
N
3
Molecular Weight
109.129
Exact Mass
109.064
No. of atoms
15
No. of bonds
15
Polar Surface Area
64.93
LOGP Value
-0.18 (
Computed with XLOGP3
)
1.41 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
Canonical SMILES
Nc1ncccc1N
InChI String
InChI=1S/C5H7N3/c6-4-2-1-3-8-5(4)7/h1-3H,6H2,(H2,7,8)
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):
P62937
Entrez Gene ID
NCBI Entrez Gene ID:
5478
ASD
Information of known allosteric effects of PDB entries
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