Browse entries in the PDBbind-CN Database
HEADER 6NCN_COMPLEX COMPND 6NCN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 141 GLN ARG TRP GLU LEU ALA LEU GLY ARG PHE TRP ASP TYR SEQRES 2 A 141 LEU ARG TRP VAL GLN THR LEU SER GLU GLN VAL GLN GLU SEQRES 3 A 141 GLU LEU LEU SER SER GLN VAL THR GLN GLU LEU ARG ALA SEQRES 4 A 141 LEU MET ASP GLU THR MET LYS GLU LEU LYS ALA TYR LYS SEQRES 5 A 141 SER GLU LEU GLU GLU GLN LEU THR PRO VAL ALA GLU GLU SEQRES 6 A 141 THR ARG ALA ARG LEU SER LYS GLU LEU GLN ALA ALA GLN SEQRES 7 A 141 ALA ARG LEU GLY ALA ASP MET GLU ASP VAL ARG GLY ARG SEQRES 8 A 141 LEU VAL GLN TYR ARG GLY GLU VAL GLN ALA MET LEU GLY SEQRES 9 A 141 GLN SER THR GLU GLU LEU ARG VAL ARG LEU ALA SER HIS SEQRES 10 A 141 LEU ARG LYS LEU ARG LYS ARG LEU LEU ARG ASP ALA ASP SEQRES 11 A 141 ASP LEU GLN LYS ARG LEU ALA VAL TYR GLN ALA HET KJM A 271 28 ATOM 1 N GLN A 24 -8.362 -21.629 -18.769 1.00 39.04 N ATOM 2 CA GLN A 24 -7.517 -21.764 -19.947 1.00 29.89 C ATOM 3 C GLN A 24 -6.080 -22.089 -19.551 1.00 32.82 C ATOM 4 O GLN A 24 -5.619 -21.708 -18.481 1.00 34.34 O ATOM 5 CB GLN A 24 -7.547 -20.488 -20.797 1.00 40.74 C ATOM 6 CG GLN A 24 -8.937 -20.096 -21.353 1.00 39.78 C ATOM 7 CD GLN A 24 -9.593 -21.190 -22.189 1.00 38.79 C ATOM 8 OE1 GLN A 24 -8.928 -21.914 -22.937 1.00 37.19 O ATOM 9 NE2 GLN A 24 -10.909 -21.316 -22.057 1.00 50.57 N ATOM 10 HE22 GLN A 24 -11.430 -20.685 -21.416 1.00 0.00 H ATOM 11 HE21 GLN A 24 -11.418 -22.046 -22.595 1.00 0.00 H ATOM 12 HN3 GLN A 24 -7.998 -20.862 -18.169 1.00 0.00 H ATOM 13 HN2 GLN A 24 -8.355 -22.521 -18.235 1.00 0.00 H ATOM 14 HN1 GLN A 24 -9.334 -21.408 -19.065 1.00 0.00 H ATOM 15 N ARG A 25 -5.364 -22.778 -20.439 1.00 32.73 N ATOM 16 CA ARG A 25 -3.971 -23.121 -20.164 1.00 33.68 C ATOM 17 C ARG A 25 -3.124 -21.883 -19.886 1.00 31.57 C ATOM 18 O ARG A 25 -2.303 -21.882 -18.964 1.00 31.10 O ATOM 19 CB ARG A 25 -3.382 -23.898 -21.335 1.00 28.87 C ATOM 20 CG ARG A 25 -3.908 -25.284 -21.455 1.00 37.74 C ATOM 21 CD ARG A 25 -3.495 -25.864 -22.798 1.00 36.23 C ATOM 22 NE ARG A 25 -2.043 -25.974 -22.920 1.00 38.64 N ATOM 23 CZ ARG A 25 -1.375 -27.123 -22.909 1.00 35.93 C ATOM 24 NH1 ARG A 25 -2.031 -28.274 -22.763 1.00 29.54 N ATOM 25 NH2 ARG A 25 -0.048 -27.112 -23.037 1.00 33.65 N ATOM 26 HE ARG A 25 -1.496 -25.095 -23.022 1.00 0.00 H ATOM 27 HH12 ARG A 25 -1.508 -29.173 -22.754 1.00 0.00 H ATOM 28 HH11 ARG A 25 -3.066 -28.273 -22.658 1.00 0.00 H ATOM 29 HH22 ARG A 25 0.483 -28.006 -23.029 1.00 0.00 H ATOM 30 HH21 ARG A 25 0.457 -26.209 -23.144 1.00 0.00 H ATOM 31 H ARG A 25 -5.801 -23.074 -21.335 1.00 0.00 H ATOM 32 N TRP A 26 -3.269 -20.828 -20.697 1.00 28.69 N ATOM 33 CA TRP A 26 -2.414 -19.672 -20.470 1.00 29.08 C ATOM 34 C TRP A 26 -2.760 -18.985 -19.155 1.00 25.69 C ATOM 35 O TRP A 26 -1.878 -18.379 -18.529 1.00 28.41 O ATOM 36 CB TRP A 26 -2.489 -18.690 -21.653 1.00 27.35 C ATOM 37 CG TRP A 26 -3.655 -17.759 -21.614 1.00 31.50 C ATOM 38 CD1 TRP A 26 -4.898 -17.972 -22.145 1.00 28.58 C ATOM 39 CD2 TRP A 26 -3.697 -16.464 -21.003 1.00 30.27 C ATOM 40 NE1 TRP A 26 -5.703 -16.896 -21.903 1.00 32.99 N ATOM 41 CE2 TRP A 26 -4.988 -15.951 -21.208 1.00 32.67 C ATOM 42 CE3 TRP A 26 -2.756 -15.684 -20.315 1.00 30.85 C ATOM 43 CZ2 TRP A 26 -5.377 -14.694 -20.742 1.00 31.71 C ATOM 44 CZ3 TRP A 26 -3.145 -14.432 -19.846 1.00 31.14 C ATOM 45 CH2 TRP A 26 -4.443 -13.949 -20.067 1.00 31.72 C ATOM 46 HE1 TRP A 26 -6.696 -16.806 -22.197 1.00 0.00 H ATOM 47 H TRP A 26 -3.970 -20.834 -21.465 1.00 0.00 H ATOM 48 N GLU A 27 -4.018 -19.071 -18.715 1.00 27.16 N ATOM 49 CA GLU A 27 -4.409 -18.457 -17.445 1.00 30.71 C ATOM 50 C GLU A 27 -3.883 -19.254 -16.263 1.00 31.84 C ATOM 51 O GLU A 27 -3.567 -18.676 -15.214 1.00 29.36 O ATOM 52 CB GLU A 27 -5.936 -18.346 -17.348 1.00 32.55 C ATOM 53 CG GLU A 27 -6.582 -17.433 -18.393 1.00 27.66 C ATOM 54 CD GLU A 27 -8.111 -17.578 -18.462 1.00 41.31 C ATOM 55 OE1 GLU A 27 -8.646 -18.599 -17.978 1.00 41.89 O ATOM 56 OE2 GLU A 27 -8.777 -16.675 -19.012 1.00 37.95 O ATOM 57 H GLU A 27 -4.727 -19.580 -19.281 1.00 0.00 H ATOM 58 N LEU A 28 -3.823 -20.581 -16.397 1.00 29.29 N ATOM 59 CA LEU A 28 -3.192 -21.402 -15.365 1.00 33.37 C ATOM 60 C LEU A 28 -1.704 -21.103 -15.276 1.00 29.59 C ATOM 61 O LEU A 28 -1.148 -21.021 -14.175 1.00 29.87 O ATOM 62 CB LEU A 28 -3.399 -22.888 -15.649 1.00 30.25 C ATOM 63 CG LEU A 28 -4.800 -23.466 -15.487 1.00 40.60 C ATOM 64 CD1 LEU A 28 -4.754 -24.945 -15.836 1.00 46.33 C ATOM 65 CD2 LEU A 28 -5.314 -23.236 -14.082 1.00 44.79 C ATOM 66 H LEU A 28 -4.228 -21.034 -17.241 1.00 0.00 H ATOM 67 N ALA A 29 -1.052 -20.934 -16.428 1.00 27.10 N ATOM 68 CA ALA A 29 0.358 -20.558 -16.441 1.00 26.93 C ATOM 69 C ALA A 29 0.560 -19.198 -15.784 1.00 30.45 C ATOM 70 O ALA A 29 1.460 -19.023 -14.954 1.00 24.39 O ATOM 71 CB ALA A 29 0.879 -20.549 -17.880 1.00 26.29 C ATOM 72 H ALA A 29 -1.555 -21.072 -17.328 1.00 0.00 H ATOM 73 N LEU A 30 -0.269 -18.216 -16.147 1.00 24.35 N ATOM 74 CA LEU A 30 -0.121 -16.899 -15.543 1.00 25.21 C ATOM 75 C LEU A 30 -0.387 -16.965 -14.051 1.00 27.10 C ATOM 76 O LEU A 30 0.261 -16.265 -13.265 1.00 27.41 O ATOM 77 CB LEU A 30 -1.070 -15.900 -16.206 1.00 22.94 C ATOM 78 CG LEU A 30 -1.031 -14.497 -15.593 1.00 28.07 C ATOM 79 CD1 LEU A 30 0.322 -13.842 -15.835 1.00 28.84 C ATOM 80 CD2 LEU A 30 -2.151 -13.649 -16.184 1.00 33.83 C ATOM 81 H LEU A 30 -1.012 -18.390 -16.853 1.00 0.00 H ATOM 82 N GLY A 31 -1.343 -17.804 -13.644 1.00 24.01 N ATOM 83 CA GLY A 31 -1.630 -17.963 -12.229 1.00 26.82 C ATOM 84 C GLY A 31 -0.449 -18.508 -11.449 1.00 26.36 C ATOM 85 O GLY A 31 -0.218 -18.114 -10.306 1.00 26.93 O ATOM 86 H GLY A 31 -1.886 -18.347 -14.345 1.00 0.00 H ATOM 87 N ARG A 32 0.324 -19.410 -12.061 1.00 27.29 N ATOM 88 CA ARG A 32 1.536 -19.892 -11.398 1.00 26.30 C ATOM 89 C ARG A 32 2.575 -18.780 -11.270 1.00 30.15 C ATOM 90 O ARG A 32 3.218 -18.647 -10.219 1.00 28.21 O ATOM 91 CB ARG A 32 2.105 -21.107 -12.136 1.00 26.05 C ATOM 92 CG ARG A 32 1.271 -22.379 -11.937 1.00 30.30 C ATOM 93 CD ARG A 32 1.897 -23.633 -12.599 1.00 35.36 C ATOM 94 NE ARG A 32 1.872 -23.603 -14.065 1.00 42.81 N ATOM 95 CZ ARG A 32 0.890 -24.099 -14.826 1.00 41.62 C ATOM 96 NH1 ARG A 32 -0.168 -24.679 -14.275 1.00 44.11 N ATOM 97 NH2 ARG A 32 0.961 -24.017 -16.144 1.00 38.52 N ATOM 98 HE ARG A 32 2.680 -23.162 -14.550 1.00 0.00 H ATOM 99 HH12 ARG A 32 -0.925 -25.061 -14.878 1.00 0.00 H ATOM 100 HH11 ARG A 32 -0.241 -24.752 -13.240 1.00 0.00 H ATOM 101 HH22 ARG A 32 0.195 -24.404 -16.731 1.00 0.00 H ATOM 102 HH21 ARG A 32 1.783 -23.565 -16.593 1.00 0.00 H ATOM 103 H ARG A 32 0.066 -19.767 -13.003 1.00 0.00 H ATOM 104 N PHE A 33 2.739 -17.961 -12.314 1.00 26.12 N ATOM 105 CA PHE A 33 3.595 -16.779 -12.214 1.00 21.98 C ATOM 106 C PHE A 33 3.118 -15.863 -11.095 1.00 23.86 C ATOM 107 O PHE A 33 3.912 -15.385 -10.282 1.00 24.84 O ATOM 108 CB PHE A 33 3.599 -16.017 -13.545 1.00 22.29 C ATOM 109 CG PHE A 33 4.480 -14.795 -13.538 1.00 27.79 C ATOM 110 CD1 PHE A 33 5.806 -14.876 -13.949 1.00 26.92 C ATOM 111 CD2 PHE A 33 3.986 -13.562 -13.106 1.00 29.05 C ATOM 112 CE1 PHE A 33 6.628 -13.757 -13.947 1.00 28.55 C ATOM 113 CE2 PHE A 33 4.812 -12.435 -13.101 1.00 30.28 C ATOM 114 CZ PHE A 33 6.132 -12.543 -13.515 1.00 27.99 C ATOM 115 H PHE A 33 2.251 -18.167 -13.209 1.00 0.00 H ATOM 116 N TRP A 34 1.806 -15.628 -11.039 1.00 23.07 N ATOM 117 CA TRP A 34 1.208 -14.684 -10.098 1.00 23.78 C ATOM 118 C TRP A 34 1.324 -15.162 -8.652 1.00 25.77 C ATOM 119 O TRP A 34 1.622 -14.360 -7.754 1.00 25.00 O ATOM 120 CB TRP A 34 -0.255 -14.470 -10.504 1.00 25.09 C ATOM 121 CG TRP A 34 -0.976 -13.409 -9.761 1.00 25.36 C ATOM 122 CD1 TRP A 34 -1.979 -13.594 -8.856 1.00 30.60 C ATOM 123 CD2 TRP A 34 -0.778 -11.994 -9.864 1.00 26.47 C ATOM 124 NE1 TRP A 34 -2.414 -12.383 -8.375 1.00 31.48 N ATOM 125 CE2 TRP A 34 -1.695 -11.382 -8.973 1.00 29.58 C ATOM 126 CE3 TRP A 34 0.099 -11.181 -10.608 1.00 27.76 C ATOM 127 CZ2 TRP A 34 -1.769 -9.996 -8.805 1.00 29.30 C ATOM 128 CZ3 TRP A 34 0.023 -9.798 -10.447 1.00 28.20 C ATOM 129 CH2 TRP A 34 -0.903 -9.221 -9.541 1.00 26.97 C ATOM 130 HE1 TRP A 34 -3.167 -12.248 -7.671 1.00 0.00 H ATOM 131 H TRP A 34 1.181 -16.140 -11.694 1.00 0.00 H ATOM 132 N ASP A 35 1.086 -16.456 -8.399 1.00 26.36 N ATOM 133 CA ASP A 35 1.243 -17.004 -7.051 1.00 27.27 C ATOM 134 C ASP A 35 2.695 -16.951 -6.596 1.00 26.83 C ATOM 135 O ASP A 35 2.974 -16.655 -5.432 1.00 26.74 O ATOM 136 CB ASP A 35 0.742 -18.457 -7.002 1.00 26.59 C ATOM 137 CG ASP A 35 -0.779 -18.564 -7.050 1.00 35.10 C ATOM 138 OD1 ASP A 35 -1.444 -17.512 -7.198 1.00 33.53 O ATOM 139 OD2 ASP A 35 -1.307 -19.698 -6.959 1.00 34.65 O ATOM 140 H ASP A 35 0.785 -17.081 -9.173 1.00 0.00 H ATOM 141 N TYR A 36 3.625 -17.265 -7.494 1.00 26.25 N ATOM 142 CA TYR A 36 5.043 -17.180 -7.160 1.00 28.20 C ATOM 143 C TYR A 36 5.425 -15.752 -6.807 1.00 26.01 C ATOM 144 O TYR A 36 6.115 -15.511 -5.809 1.00 26.82 O ATOM 145 CB TYR A 36 5.882 -17.695 -8.339 1.00 27.23 C ATOM 146 CG TYR A 36 7.352 -17.873 -8.024 1.00 25.35 C ATOM 147 CD1 TYR A 36 7.855 -19.104 -7.606 1.00 30.09 C ATOM 148 CD2 TYR A 36 8.232 -16.803 -8.103 1.00 33.30 C ATOM 149 CE1 TYR A 36 9.211 -19.269 -7.303 1.00 28.83 C ATOM 150 CE2 TYR A 36 9.586 -16.953 -7.802 1.00 32.17 C ATOM 151 CZ TYR A 36 10.068 -18.179 -7.394 1.00 33.34 C ATOM 152 OH TYR A 36 11.413 -18.307 -7.101 1.00 30.41 O ATOM 153 HH TYR A 36 11.602 -19.239 -6.825 1.00 0.00 H ATOM 154 H TYR A 36 3.338 -17.574 -8.445 1.00 0.00 H ATOM 155 N LEU A 37 4.952 -14.788 -7.594 1.00 24.68 N ATOM 156 CA LEU A 37 5.256 -13.390 -7.321 1.00 26.37 C ATOM 157 C LEU A 37 4.539 -12.885 -6.073 1.00 24.97 C ATOM 158 O LEU A 37 5.062 -12.004 -5.386 1.00 24.66 O ATOM 159 CB LEU A 37 4.890 -12.550 -8.543 1.00 27.43 C ATOM 160 CG LEU A 37 5.267 -11.073 -8.611 1.00 31.23 C ATOM 161 CD1 LEU A 37 6.734 -10.876 -8.285 1.00 32.20 C ATOM 162 CD2 LEU A 37 4.907 -10.507 -9.994 1.00 25.09 C ATOM 163 H LEU A 37 4.359 -15.036 -8.412 1.00 0.00 H ATOM 164 N ARG A 38 3.355 -13.420 -5.741 1.00 23.62 N ATOM 165 CA ARG A 38 2.735 -13.019 -4.475 1.00 22.79 C ATOM 166 C ARG A 38 3.578 -13.475 -3.291 1.00 23.38 C ATOM 167 O ARG A 38 3.707 -12.763 -2.292 1.00 26.05 O ATOM 168 CB ARG A 38 1.327 -13.584 -4.338 1.00 23.04 C ATOM 169 CG ARG A 38 0.566 -12.867 -3.237 1.00 29.29 C ATOM 170 CD ARG A 38 -0.752 -13.520 -2.849 1.00 28.84 C ATOM 171 NE ARG A 38 -1.635 -13.858 -3.957 1.00 37.30 N ATOM 172 CZ ARG A 38 -2.413 -13.000 -4.617 1.00 36.28 C ATOM 173 NH1 ARG A 38 -3.198 -13.460 -5.573 1.00 30.84 N ATOM 174 NH2 ARG A 38 -2.406 -11.699 -4.350 1.00 33.68 N ATOM 175 HE ARG A 38 -1.661 -14.853 -4.259 1.00 0.00 H ATOM 176 HH12 ARG A 38 -3.813 -12.807 -6.100 1.00 0.00 H ATOM 177 HH11 ARG A 38 -3.202 -14.475 -5.799 1.00 0.00 H ATOM 178 HH22 ARG A 38 -3.025 -11.055 -4.883 1.00 0.00 H ATOM 179 HH21 ARG A 38 -1.781 -11.324 -3.608 1.00 0.00 H ATOM 180 H ARG A 38 2.887 -14.105 -6.368 1.00 0.00 H ATOM 181 N TRP A 39 4.155 -14.665 -3.398 1.00 22.17 N ATOM 182 CA TRP A 39 5.112 -15.142 -2.408 1.00 25.14 C ATOM 183 C TRP A 39 6.323 -14.218 -2.304 1.00 27.20 C ATOM 184 O TRP A 39 6.722 -13.839 -1.202 1.00 25.69 O ATOM 185 CB TRP A 39 5.549 -16.557 -2.779 1.00 25.17 C ATOM 186 CG TRP A 39 6.578 -17.132 -1.877 1.00 26.79 C ATOM 187 CD1 TRP A 39 6.446 -17.400 -0.540 1.00 34.17 C ATOM 188 CD2 TRP A 39 7.906 -17.514 -2.235 1.00 28.22 C ATOM 189 NE1 TRP A 39 7.614 -17.934 -0.048 1.00 30.01 N ATOM 190 CE2 TRP A 39 8.525 -18.016 -1.066 1.00 29.26 C ATOM 191 CE3 TRP A 39 8.641 -17.472 -3.428 1.00 29.87 C ATOM 192 CZ2 TRP A 39 9.834 -18.469 -1.058 1.00 29.71 C ATOM 193 CZ3 TRP A 39 9.937 -17.928 -3.419 1.00 33.35 C ATOM 194 CH2 TRP A 39 10.524 -18.419 -2.234 1.00 28.57 C ATOM 195 HE1 TRP A 39 7.778 -18.227 0.936 1.00 0.00 H ATOM 196 H TRP A 39 3.918 -15.272 -4.208 1.00 0.00 H ATOM 197 N VAL A 40 6.937 -13.866 -3.441 1.00 24.26 N ATOM 198 CA VAL A 40 8.082 -12.948 -3.419 1.00 23.12 C ATOM 199 C VAL A 40 7.707 -11.650 -2.714 1.00 24.80 C ATOM 200 O VAL A 40 8.483 -11.103 -1.914 1.00 24.99 O ATOM 201 CB VAL A 40 8.595 -12.685 -4.854 1.00 28.32 C ATOM 202 CG1 VAL A 40 9.647 -11.526 -4.881 1.00 25.35 C ATOM 203 CG2 VAL A 40 9.170 -13.955 -5.474 1.00 24.98 C ATOM 204 H VAL A 40 6.599 -14.247 -4.348 1.00 0.00 H ATOM 205 N GLN A 41 6.496 -11.154 -2.966 1.00 27.01 N ATOM 206 CA GLN A 41 6.054 -9.907 -2.353 1.00 25.41 C ATOM 207 C GLN A 41 6.114 -9.955 -0.828 1.00 26.01 C ATOM 208 O GLN A 41 6.291 -8.908 -0.188 1.00 26.29 O ATOM 209 CB GLN A 41 4.636 -9.573 -2.834 1.00 23.70 C ATOM 210 CG GLN A 41 3.988 -8.370 -2.152 1.00 24.51 C ATOM 211 CD GLN A 41 4.404 -7.049 -2.791 1.00 32.19 C ATOM 212 OE1 GLN A 41 4.091 -6.788 -3.953 1.00 30.56 O ATOM 213 NE2 GLN A 41 5.117 -6.212 -2.031 1.00 27.70 N ATOM 214 HE22 GLN A 41 5.358 -6.474 -1.054 1.00 0.00 H ATOM 215 HE21 GLN A 41 5.430 -5.298 -2.417 1.00 0.00 H ATOM 216 H GLN A 41 5.857 -11.664 -3.609 1.00 0.00 H ATOM 217 N THR A 42 5.988 -11.141 -0.222 1.00 24.42 N ATOM 218 CA THR A 42 6.050 -11.206 1.236 1.00 29.65 C ATOM 219 C THR A 42 7.441 -10.891 1.766 1.00 31.77 C ATOM 220 O THR A 42 7.563 -10.482 2.926 1.00 27.66 O ATOM 221 CB THR A 42 5.639 -12.588 1.766 1.00 28.97 C ATOM 222 OG1 THR A 42 6.645 -13.551 1.437 1.00 27.26 O ATOM 223 CG2 THR A 42 4.303 -13.035 1.180 1.00 28.55 C ATOM 224 HG1 THR A 42 6.750 -13.594 0.453 1.00 0.00 H ATOM 225 H THR A 42 5.848 -12.006 -0.782 1.00 0.00 H ATOM 226 N LEU A 43 8.483 -11.077 0.949 1.00 27.49 N ATOM 227 CA LEU A 43 9.866 -10.826 1.367 1.00 26.38 C ATOM 228 C LEU A 43 10.163 -11.554 2.673 1.00 32.87 C ATOM 229 O LEU A 43 10.865 -11.052 3.552 1.00 32.11 O ATOM 230 CB LEU A 43 10.146 -9.327 1.487 1.00 27.47 C ATOM 231 CG LEU A 43 10.217 -8.607 0.131 1.00 28.47 C ATOM 232 CD1 LEU A 43 10.519 -7.113 0.273 1.00 30.04 C ATOM 233 CD2 LEU A 43 11.232 -9.264 -0.790 1.00 30.02 C ATOM 234 H LEU A 43 8.306 -11.412 -0.019 1.00 0.00 H ATOM 235 N SER A 44 9.602 -12.755 2.799 1.00 26.80 N ATOM 236 CA SER A 44 9.868 -13.628 3.932 1.00 32.17 C ATOM 237 C SER A 44 11.325 -14.067 3.937 1.00 31.47 C ATOM 238 O SER A 44 12.080 -13.774 3.003 1.00 28.94 O ATOM 239 CB SER A 44 8.965 -14.859 3.875 1.00 32.34 C ATOM 240 OG SER A 44 9.403 -15.695 2.823 1.00 32.77 O ATOM 241 HG SER A 44 8.824 -16.497 2.777 1.00 0.00 H ATOM 242 H SER A 44 8.948 -13.082 2.059 1.00 0.00 H ATOM 243 N GLU A 45 11.717 -14.802 4.974 1.00 29.06 N ATOM 244 CA GLU A 45 13.115 -15.182 5.142 1.00 28.99 C ATOM 245 C GLU A 45 13.630 -15.964 3.935 1.00 33.43 C ATOM 246 O GLU A 45 14.699 -15.657 3.395 1.00 31.10 O ATOM 247 CB GLU A 45 13.252 -15.970 6.461 1.00 35.35 C ATOM 248 CG GLU A 45 14.545 -16.730 6.653 1.00 35.88 C ATOM 249 CD GLU A 45 15.760 -15.833 6.630 1.00 35.60 C ATOM 250 OE1 GLU A 45 15.656 -14.655 7.066 1.00 33.79 O ATOM 251 OE2 GLU A 45 16.819 -16.312 6.153 1.00 43.35 O ATOM 252 H GLU A 45 11.015 -15.111 5.677 1.00 0.00 H ATOM 253 N GLN A 46 12.867 -16.955 3.460 1.00 29.74 N ATOM 254 CA GLN A 46 13.355 -17.739 2.335 1.00 31.27 C ATOM 255 C GLN A 46 13.350 -16.942 1.030 1.00 30.61 C ATOM 256 O GLN A 46 14.191 -17.183 0.159 1.00 30.27 O ATOM 257 CB GLN A 46 12.533 -19.021 2.183 1.00 33.30 C ATOM 258 CG GLN A 46 13.090 -19.949 1.100 1.00 40.01 C ATOM 259 CD GLN A 46 14.473 -20.481 1.442 1.00 47.55 C ATOM 260 OE1 GLN A 46 14.874 -20.472 2.604 1.00 43.00 O ATOM 261 NE2 GLN A 46 15.203 -20.959 0.431 1.00 44.95 N ATOM 262 HE22 GLN A 46 14.822 -20.946 -0.537 1.00 0.00 H ATOM 263 HE21 GLN A 46 16.152 -21.344 0.611 1.00 0.00 H ATOM 264 H GLN A 46 11.941 -17.162 3.887 1.00 0.00 H ATOM 265 N VAL A 47 12.420 -15.997 0.869 1.00 28.60 N ATOM 266 CA VAL A 47 12.465 -15.107 -0.294 1.00 26.87 C ATOM 267 C VAL A 47 13.757 -14.298 -0.294 1.00 25.62 C ATOM 268 O VAL A 47 14.430 -14.160 -1.327 1.00 29.61 O ATOM 269 CB VAL A 47 11.242 -14.170 -0.311 1.00 26.91 C ATOM 270 CG1 VAL A 47 11.409 -13.120 -1.416 1.00 28.77 C ATOM 271 CG2 VAL A 47 9.956 -14.948 -0.508 1.00 25.25 C ATOM 272 H VAL A 47 11.661 -15.892 1.572 1.00 0.00 H ATOM 273 N GLN A 48 14.085 -13.702 0.855 1.00 29.61 N ATOM 274 CA GLN A 48 15.278 -12.865 0.968 1.00 30.07 C ATOM 275 C GLN A 48 16.530 -13.649 0.630 1.00 31.20 C ATOM 276 O GLN A 48 17.471 -13.113 0.032 1.00 33.82 O ATOM 277 CB GLN A 48 15.388 -12.303 2.380 1.00 29.81 C ATOM 278 CG GLN A 48 14.346 -11.258 2.708 1.00 30.81 C ATOM 279 CD GLN A 48 14.453 -10.816 4.141 1.00 36.49 C ATOM 280 OE1 GLN A 48 15.516 -10.391 4.583 1.00 35.98 O ATOM 281 NE2 GLN A 48 13.361 -10.937 4.888 1.00 31.18 N ATOM 282 HE22 GLN A 48 12.482 -11.302 4.469 1.00 0.00 H ATOM 283 HE21 GLN A 48 13.385 -10.666 5.892 1.00 0.00 H ATOM 284 H GLN A 48 13.478 -13.836 1.689 1.00 0.00 H ATOM 285 N GLU A 49 16.558 -14.915 1.023 1.00 30.04 N ATOM 286 CA GLU A 49 17.667 -15.787 0.674 1.00 32.57 C ATOM 287 C GLU A 49 17.731 -16.014 -0.830 1.00 35.29 C ATOM 288 O GLU A 49 18.778 -15.813 -1.455 1.00 35.69 O ATOM 289 CB GLU A 49 17.517 -17.116 1.419 1.00 35.64 C ATOM 290 CG GLU A 49 18.731 -17.990 1.312 1.00 39.87 C ATOM 291 CD GLU A 49 19.780 -17.650 2.353 1.00 38.23 C ATOM 292 OE1 GLU A 49 19.645 -16.611 3.045 1.00 32.54 O ATOM 293 OE2 GLU A 49 20.741 -18.436 2.478 1.00 39.62 O ATOM 294 H GLU A 49 15.772 -15.291 1.591 1.00 0.00 H ATOM 295 N GLU A 50 16.616 -16.424 -1.436 1.00 32.10 N ATOM 296 CA GLU A 50 16.644 -16.752 -2.854 1.00 30.63 C ATOM 297 C GLU A 50 16.801 -15.515 -3.733 1.00 33.46 C ATOM 298 O GLU A 50 17.245 -15.642 -4.876 1.00 36.02 O ATOM 299 CB GLU A 50 15.382 -17.547 -3.227 1.00 29.93 C ATOM 300 CG GLU A 50 15.225 -18.854 -2.423 1.00 33.37 C ATOM 301 CD GLU A 50 14.108 -19.762 -2.917 1.00 42.70 C ATOM 302 OE1 GLU A 50 13.482 -19.459 -3.955 1.00 39.51 O ATOM 303 OE2 GLU A 50 13.841 -20.789 -2.255 1.00 40.97 O ATOM 304 H GLU A 50 15.730 -16.509 -0.898 1.00 0.00 H ATOM 305 N LEU A 51 16.472 -14.325 -3.224 1.00 29.55 N ATOM 306 CA LEU A 51 16.668 -13.101 -3.994 1.00 29.59 C ATOM 307 C LEU A 51 18.137 -12.737 -4.144 1.00 33.77 C ATOM 308 O LEU A 51 18.485 -11.955 -5.033 1.00 27.59 O ATOM 309 CB LEU A 51 15.944 -11.921 -3.343 1.00 29.07 C ATOM 310 CG LEU A 51 14.454 -11.808 -3.611 1.00 28.89 C ATOM 311 CD1 LEU A 51 13.896 -10.621 -2.838 1.00 27.89 C ATOM 312 CD2 LEU A 51 14.211 -11.652 -5.104 1.00 29.75 C ATOM 313 H LEU A 51 16.071 -14.270 -2.266 1.00 0.00 H ATOM 314 N LEU A 52 19.005 -13.245 -3.284 1.00 29.62 N ATOM 315 CA LEU A 52 20.418 -12.915 -3.429 1.00 31.74 C ATOM 316 C LEU A 52 21.170 -13.911 -4.301 1.00 34.15 C ATOM 317 O LEU A 52 22.322 -13.645 -4.676 1.00 39.09 O ATOM 318 CB LEU A 52 21.078 -12.801 -2.054 1.00 29.17 C ATOM 319 CG LEU A 52 20.559 -11.609 -1.246 1.00 30.31 C ATOM 320 CD1 LEU A 52 21.493 -11.301 -0.082 1.00 31.34 C ATOM 321 CD2 LEU A 52 20.404 -10.378 -2.137 1.00 31.24 C ATOM 322 H LEU A 52 18.685 -13.870 -2.517 1.00 0.00 H ATOM 323 N SER A 53 20.559 -15.044 -4.620 1.00 34.14 N ATOM 324 CA SER A 53 21.018 -15.911 -5.693 1.00 38.54 C ATOM 325 C SER A 53 20.243 -15.558 -6.961 1.00 42.89 C ATOM 326 O SER A 53 19.463 -14.603 -6.996 1.00 39.59 O ATOM 327 CB SER A 53 20.826 -17.373 -5.320 1.00 42.56 C ATOM 328 OG SER A 53 19.444 -17.674 -5.275 1.00 40.93 O ATOM 329 HG SER A 53 19.323 -18.626 -5.032 1.00 0.00 H ATOM 330 H SER A 53 19.716 -15.324 -4.080 1.00 0.00 H ATOM 331 N SER A 54 20.437 -16.326 -8.021 1.00 38.99 N ATOM 332 CA SER A 54 19.653 -16.140 -9.232 1.00 36.71 C ATOM 333 C SER A 54 18.353 -16.942 -9.227 1.00 33.11 C ATOM 334 O SER A 54 17.664 -16.973 -10.252 1.00 32.30 O ATOM 335 CB SER A 54 20.491 -16.524 -10.456 1.00 42.39 C ATOM 336 OG SER A 54 21.451 -15.516 -10.719 1.00 56.27 O ATOM 337 HG SER A 54 21.988 -15.772 -11.511 1.00 0.00 H ATOM 338 H SER A 54 21.160 -17.073 -7.988 1.00 0.00 H ATOM 339 N GLN A 55 18.002 -17.583 -8.102 1.00 32.05 N ATOM 340 CA GLN A 55 16.911 -18.553 -8.108 1.00 32.08 C ATOM 341 C GLN A 55 15.563 -17.896 -8.393 1.00 32.42 C ATOM 342 O GLN A 55 14.771 -18.426 -9.179 1.00 27.86 O ATOM 343 CB GLN A 55 16.861 -19.313 -6.782 1.00 34.19 C ATOM 344 CG GLN A 55 15.795 -20.420 -6.772 1.00 37.13 C ATOM 345 CD GLN A 55 15.870 -21.319 -5.547 1.00 43.05 C ATOM 346 OE1 GLN A 55 16.715 -21.131 -4.675 1.00 41.97 O ATOM 347 NE2 GLN A 55 15.000 -22.314 -5.493 1.00 39.57 N ATOM 348 HE22 GLN A 55 14.301 -22.436 -6.254 1.00 0.00 H ATOM 349 HE21 GLN A 55 15.015 -22.974 -4.690 1.00 0.00 H ATOM 350 H GLN A 55 18.512 -17.387 -7.217 1.00 0.00 H ATOM 351 N VAL A 56 15.272 -16.757 -7.758 1.00 31.23 N ATOM 352 CA VAL A 56 13.959 -16.138 -7.938 1.00 28.31 C ATOM 353 C VAL A 56 13.796 -15.639 -9.373 1.00 27.19 C ATOM 354 O VAL A 56 12.777 -15.894 -10.017 1.00 27.99 O ATOM 355 CB VAL A 56 13.735 -15.007 -6.912 1.00 29.56 C ATOM 356 CG1 VAL A 56 12.488 -14.185 -7.284 1.00 23.27 C ATOM 357 CG2 VAL A 56 13.564 -15.577 -5.525 1.00 30.85 C ATOM 358 H VAL A 56 15.977 -16.312 -7.137 1.00 0.00 H ATOM 359 N THR A 57 14.800 -14.933 -9.907 1.00 24.11 N ATOM 360 CA THR A 57 14.640 -14.378 -11.242 1.00 27.75 C ATOM 361 C THR A 57 14.702 -15.464 -12.313 1.00 32.23 C ATOM 362 O THR A 57 14.090 -15.316 -13.375 1.00 30.71 O ATOM 363 CB THR A 57 15.685 -13.291 -11.488 1.00 30.11 C ATOM 364 OG1 THR A 57 16.984 -13.788 -11.148 1.00 29.58 O ATOM 365 CG2 THR A 57 15.371 -12.059 -10.620 1.00 29.91 C ATOM 366 HG1 THR A 57 16.997 -14.048 -10.193 1.00 0.00 H ATOM 367 H THR A 57 15.681 -14.784 -9.375 1.00 0.00 H ATOM 368 N GLN A 58 15.407 -16.565 -12.047 1.00 30.32 N ATOM 369 CA GLN A 58 15.399 -17.686 -12.980 1.00 33.42 C ATOM 370 C GLN A 58 14.063 -18.418 -12.963 1.00 32.21 C ATOM 371 O GLN A 58 13.552 -18.801 -14.024 1.00 31.96 O ATOM 372 CB GLN A 58 16.542 -18.649 -12.667 1.00 34.09 C ATOM 373 CG GLN A 58 17.876 -18.145 -13.199 1.00 40.12 C ATOM 374 CD GLN A 58 17.897 -18.046 -14.722 1.00 60.67 C ATOM 375 OE1 GLN A 58 17.625 -16.980 -15.293 1.00 65.45 O ATOM 376 NE2 GLN A 58 18.212 -19.159 -15.389 1.00 64.73 N ATOM 377 HE22 GLN A 58 18.433 -20.032 -14.869 1.00 0.00 H ATOM 378 HE21 GLN A 58 18.236 -19.153 -16.429 1.00 0.00 H ATOM 379 H GLN A 58 15.964 -16.624 -11.171 1.00 0.00 H ATOM 380 N GLU A 59 13.477 -18.622 -11.780 1.00 29.55 N ATOM 381 CA GLU A 59 12.185 -19.307 -11.718 1.00 32.54 C ATOM 382 C GLU A 59 11.081 -18.430 -12.297 1.00 31.21 C ATOM 383 O GLU A 59 10.165 -18.932 -12.962 1.00 31.05 O ATOM 384 CB GLU A 59 11.884 -19.748 -10.274 1.00 34.08 C ATOM 385 CG GLU A 59 12.857 -20.901 -9.832 1.00 45.45 C ATOM 386 CD GLU A 59 12.656 -21.464 -8.409 1.00 47.46 C ATOM 387 OE1 GLU A 59 11.944 -20.858 -7.576 1.00 46.35 O ATOM 388 OE2 GLU A 59 13.255 -22.527 -8.115 1.00 41.15 O ATOM 389 H GLU A 59 13.937 -18.295 -10.906 1.00 0.00 H ATOM 390 N LEU A 60 11.175 -17.116 -12.097 1.00 29.48 N ATOM 391 CA LEU A 60 10.218 -16.199 -12.714 1.00 28.05 C ATOM 392 C LEU A 60 10.360 -16.170 -14.228 1.00 32.71 C ATOM 393 O LEU A 60 9.357 -16.054 -14.944 1.00 30.48 O ATOM 394 CB LEU A 60 10.398 -14.802 -12.143 1.00 32.87 C ATOM 395 CG LEU A 60 9.761 -14.554 -10.785 1.00 31.83 C ATOM 396 CD1 LEU A 60 10.306 -13.236 -10.275 1.00 34.21 C ATOM 397 CD2 LEU A 60 8.218 -14.507 -10.861 1.00 30.58 C ATOM 398 H LEU A 60 11.936 -16.739 -11.497 1.00 0.00 H ATOM 399 N ARG A 61 11.595 -16.233 -14.744 1.00 31.14 N ATOM 400 CA ARG A 61 11.758 -16.264 -16.190 1.00 29.33 C ATOM 401 C ARG A 61 11.116 -17.516 -16.776 1.00 31.91 C ATOM 402 O ARG A 61 10.477 -17.456 -17.834 1.00 32.79 O ATOM 403 CB ARG A 61 13.237 -16.186 -16.585 1.00 34.42 C ATOM 404 CG ARG A 61 13.425 -16.231 -18.106 1.00 41.19 C ATOM 405 CD ARG A 61 14.869 -16.372 -18.543 1.00 48.00 C ATOM 406 NE ARG A 61 15.611 -15.106 -18.502 1.00 69.41 N ATOM 407 CZ ARG A 61 15.415 -14.072 -19.328 1.00 72.97 C ATOM 408 NH1 ARG A 61 14.480 -14.126 -20.271 1.00 71.98 N ATOM 409 NH2 ARG A 61 16.156 -12.971 -19.209 1.00 60.15 N ATOM 410 HE ARG A 61 16.347 -15.005 -17.774 1.00 0.00 H ATOM 411 HH12 ARG A 61 14.336 -13.316 -20.908 1.00 0.00 H ATOM 412 HH11 ARG A 61 13.892 -14.978 -20.372 1.00 0.00 H ATOM 413 HH22 ARG A 61 16.002 -12.168 -19.852 1.00 0.00 H ATOM 414 HH21 ARG A 61 16.888 -12.914 -18.473 1.00 0.00 H ATOM 415 H ARG A 61 12.426 -16.259 -14.119 1.00 0.00 H ATOM 416 N ALA A 62 11.273 -18.658 -16.107 1.00 28.96 N ATOM 417 CA ALA A 62 10.673 -19.882 -16.625 1.00 30.29 C ATOM 418 C ALA A 62 9.153 -19.775 -16.628 1.00 31.52 C ATOM 419 O ALA A 62 8.493 -20.208 -17.585 1.00 28.09 O ATOM 420 CB ALA A 62 11.127 -21.083 -15.797 1.00 30.56 C ATOM 421 H ALA A 62 11.819 -18.676 -15.222 1.00 0.00 H ATOM 422 N LEU A 63 8.586 -19.184 -15.572 1.00 27.66 N ATOM 423 CA LEU A 63 7.136 -19.049 -15.483 1.00 28.32 C ATOM 424 C LEU A 63 6.627 -18.048 -16.504 1.00 25.38 C ATOM 425 O LEU A 63 5.554 -18.236 -17.084 1.00 27.67 O ATOM 426 CB LEU A 63 6.736 -18.642 -14.064 1.00 26.48 C ATOM 427 CG LEU A 63 6.942 -19.725 -13.018 1.00 28.38 C ATOM 428 CD1 LEU A 63 6.835 -19.154 -11.606 1.00 27.89 C ATOM 429 CD2 LEU A 63 5.924 -20.839 -13.218 1.00 31.71 C ATOM 430 H LEU A 63 9.185 -18.816 -14.805 1.00 0.00 H ATOM 431 N MET A 64 7.394 -16.986 -16.739 1.00 24.99 N ATOM 432 CA MET A 64 7.057 -16.004 -17.759 1.00 29.39 C ATOM 433 C MET A 64 7.066 -16.627 -19.143 1.00 32.90 C ATOM 434 O MET A 64 6.116 -16.458 -19.919 1.00 26.89 O ATOM 435 CB MET A 64 8.051 -14.844 -17.682 1.00 27.50 C ATOM 436 CG MET A 64 7.820 -13.732 -18.687 1.00 36.80 C ATOM 437 SD MET A 64 9.312 -12.736 -18.836 1.00 42.13 S ATOM 438 CE MET A 64 9.605 -12.370 -17.116 1.00 53.61 C ATOM 439 H MET A 64 8.259 -16.854 -16.177 1.00 0.00 H ATOM 440 N ASP A 65 8.140 -17.354 -19.459 1.00 29.01 N ATOM 441 CA ASP A 65 8.267 -18.004 -20.756 1.00 29.93 C ATOM 442 C ASP A 65 7.099 -18.954 -21.011 1.00 30.23 C ATOM 443 O ASP A 65 6.488 -18.925 -22.086 1.00 29.16 O ATOM 444 CB ASP A 65 9.615 -18.726 -20.832 1.00 29.50 C ATOM 445 CG ASP A 65 10.780 -17.761 -21.006 1.00 36.47 C ATOM 446 OD1 ASP A 65 10.546 -16.537 -21.131 1.00 38.28 O ATOM 447 OD2 ASP A 65 11.932 -18.228 -21.034 1.00 43.17 O ATOM 448 H ASP A 65 8.905 -17.459 -18.762 1.00 0.00 H ATOM 449 N GLU A 66 6.740 -19.770 -20.016 1.00 28.35 N ATOM 450 CA GLU A 66 5.616 -20.688 -20.185 1.00 28.84 C ATOM 451 C GLU A 66 4.322 -19.935 -20.461 1.00 32.05 C ATOM 452 O GLU A 66 3.534 -20.327 -21.334 1.00 31.19 O ATOM 453 CB GLU A 66 5.464 -21.571 -18.950 1.00 31.79 C ATOM 454 CG GLU A 66 4.618 -22.814 -19.188 1.00 33.37 C ATOM 455 CD GLU A 66 4.195 -23.480 -17.895 1.00 39.66 C ATOM 456 OE1 GLU A 66 3.066 -24.024 -17.837 1.00 41.63 O ATOM 457 OE2 GLU A 66 4.996 -23.458 -16.936 1.00 44.83 O ATOM 458 H GLU A 66 7.263 -19.752 -19.117 1.00 0.00 H ATOM 459 N THR A 67 4.084 -18.841 -19.731 1.00 27.56 N ATOM 460 CA THR A 67 2.865 -18.058 -19.945 1.00 25.35 C ATOM 461 C THR A 67 2.787 -17.521 -21.367 1.00 29.06 C ATOM 462 O THR A 67 1.738 -17.609 -22.018 1.00 28.46 O ATOM 463 CB THR A 67 2.790 -16.914 -18.930 1.00 24.21 C ATOM 464 OG1 THR A 67 2.796 -17.466 -17.614 1.00 24.29 O ATOM 465 CG2 THR A 67 1.492 -16.118 -19.101 1.00 26.79 C ATOM 466 HG1 THR A 67 3.630 -17.982 -17.478 1.00 0.00 H ATOM 467 H THR A 67 4.769 -18.544 -19.007 1.00 0.00 H ATOM 468 N MET A 68 3.890 -16.948 -21.869 1.00 26.88 N ATOM 469 CA MET A 68 3.863 -16.336 -23.196 1.00 27.32 C ATOM 470 C MET A 68 3.709 -17.389 -24.286 1.00 29.72 C ATOM 471 O MET A 68 3.037 -17.158 -25.299 1.00 29.94 O ATOM 472 CB MET A 68 5.130 -15.518 -23.419 1.00 27.76 C ATOM 473 CG MET A 68 5.260 -14.329 -22.463 1.00 28.43 C ATOM 474 SD MET A 68 3.856 -13.193 -22.496 1.00 35.13 S ATOM 475 CE MET A 68 4.103 -12.395 -24.068 1.00 39.79 C ATOM 476 H MET A 68 4.768 -16.939 -21.312 1.00 0.00 H ATOM 477 N LYS A 69 4.333 -18.549 -24.096 1.00 31.25 N ATOM 478 CA LYS A 69 4.183 -19.642 -25.051 1.00 31.81 C ATOM 479 C LYS A 69 2.734 -20.123 -25.134 1.00 34.56 C ATOM 480 O LYS A 69 2.214 -20.365 -26.234 1.00 30.06 O ATOM 481 CB LYS A 69 5.122 -20.776 -24.643 1.00 31.20 C ATOM 482 CG LYS A 69 5.334 -21.865 -25.667 1.00 42.49 C ATOM 483 CD LYS A 69 6.358 -22.864 -25.146 1.00 44.88 C ATOM 484 CE LYS A 69 5.949 -23.409 -23.782 1.00 54.29 C ATOM 485 NZ LYS A 69 7.004 -24.279 -23.156 1.00 59.90 N ATOM 486 HZ1 LYS A 69 7.195 -25.091 -23.777 1.00 0.00 H ATOM 487 HZ2 LYS A 69 7.876 -23.727 -23.028 1.00 0.00 H ATOM 488 HZ3 LYS A 69 6.668 -24.619 -22.232 1.00 0.00 H ATOM 489 H LYS A 69 4.934 -18.678 -23.257 1.00 0.00 H ATOM 490 N GLU A 70 2.069 -20.278 -23.988 1.00 25.73 N ATOM 491 CA GLU A 70 0.678 -20.727 -24.002 1.00 26.94 C ATOM 492 C GLU A 70 -0.227 -19.659 -24.588 1.00 29.10 C ATOM 493 O GLU A 70 -1.213 -19.972 -25.266 1.00 28.48 O ATOM 494 CB GLU A 70 0.209 -21.082 -22.592 1.00 27.38 C ATOM 495 CG GLU A 70 0.841 -22.320 -22.014 1.00 29.04 C ATOM 496 CD GLU A 70 0.617 -23.555 -22.886 1.00 36.60 C ATOM 497 OE1 GLU A 70 -0.393 -23.610 -23.637 1.00 38.95 O ATOM 498 OE2 GLU A 70 1.475 -24.464 -22.834 1.00 34.09 O ATOM 499 H GLU A 70 2.541 -20.079 -23.083 1.00 0.00 H ATOM 500 N LEU A 71 0.066 -18.396 -24.294 1.00 27.35 N ATOM 501 CA LEU A 71 -0.694 -17.297 -24.877 1.00 29.29 C ATOM 502 C LEU A 71 -0.641 -17.347 -26.400 1.00 30.51 C ATOM 503 O LEU A 71 -1.670 -17.214 -27.083 1.00 30.14 O ATOM 504 CB LEU A 71 -0.130 -15.977 -24.347 1.00 28.29 C ATOM 505 CG LEU A 71 -0.969 -14.710 -24.255 1.00 38.86 C ATOM 506 CD1 LEU A 71 -2.462 -15.003 -24.019 1.00 32.77 C ATOM 507 CD2 LEU A 71 -0.386 -13.843 -23.136 1.00 32.37 C ATOM 508 H LEU A 71 0.847 -18.189 -23.640 1.00 0.00 H ATOM 509 N LYS A 72 0.557 -17.546 -26.958 1.00 31.47 N ATOM 510 CA LYS A 72 0.695 -17.559 -28.412 1.00 33.12 C ATOM 511 C LYS A 72 -0.035 -18.749 -29.027 1.00 32.70 C ATOM 512 O LYS A 72 -0.660 -18.624 -30.085 1.00 33.47 O ATOM 513 CB LYS A 72 2.174 -17.571 -28.812 1.00 39.57 C ATOM 514 CG LYS A 72 2.806 -16.170 -28.906 1.00 55.95 C ATOM 515 CD LYS A 72 4.318 -16.188 -28.652 1.00 56.02 C ATOM 516 CE LYS A 72 4.753 -15.007 -27.771 1.00 59.56 C ATOM 517 NZ LYS A 72 6.188 -15.107 -27.363 1.00 59.30 N ATOM 518 HZ1 LYS A 72 6.334 -15.984 -26.824 1.00 0.00 H ATOM 519 HZ2 LYS A 72 6.789 -15.117 -28.212 1.00 0.00 H ATOM 520 HZ3 LYS A 72 6.436 -14.289 -26.770 1.00 0.00 H ATOM 521 H LYS A 72 1.392 -17.692 -26.356 1.00 0.00 H ATOM 522 N ALA A 73 0.037 -19.914 -28.383 1.00 30.29 N ATOM 523 CA ALA A 73 -0.687 -21.083 -28.881 1.00 28.19 C ATOM 524 C ALA A 73 -2.202 -20.894 -28.786 1.00 33.64 C ATOM 525 O ALA A 73 -2.953 -21.375 -29.646 1.00 29.38 O ATOM 526 CB ALA A 73 -0.250 -22.325 -28.099 1.00 30.92 C ATOM 527 H ALA A 73 0.612 -19.992 -27.520 1.00 0.00 H ATOM 528 N TYR A 74 -2.672 -20.220 -27.728 1.00 29.50 N ATOM 529 CA TYR A 74 -4.103 -20.004 -27.545 1.00 30.21 C ATOM 530 C TYR A 74 -4.662 -19.099 -28.634 1.00 32.82 C ATOM 531 O TYR A 74 -5.683 -19.415 -29.255 1.00 28.96 O ATOM 532 CB TYR A 74 -4.364 -19.413 -26.155 1.00 28.33 C ATOM 533 CG TYR A 74 -5.825 -19.198 -25.828 1.00 28.57 C ATOM 534 CD1 TYR A 74 -6.724 -20.251 -25.856 1.00 33.43 C ATOM 535 CD2 TYR A 74 -6.300 -17.941 -25.485 1.00 31.50 C ATOM 536 CE1 TYR A 74 -8.053 -20.061 -25.553 1.00 36.54 C ATOM 537 CE2 TYR A 74 -7.623 -17.742 -25.179 1.00 34.62 C ATOM 538 CZ TYR A 74 -8.499 -18.810 -25.218 1.00 35.53 C ATOM 539 OH TYR A 74 -9.827 -18.620 -24.914 1.00 36.13 O ATOM 540 HH TYR A 74 -10.308 -19.482 -24.991 1.00 0.00 H ATOM 541 H TYR A 74 -2.005 -19.844 -27.024 1.00 0.00 H ATOM 542 N LYS A 75 -4.005 -17.966 -28.880 1.00 29.33 N ATOM 543 CA LYS A 75 -4.407 -17.107 -29.993 1.00 31.15 C ATOM 544 C LYS A 75 -4.447 -17.886 -31.305 1.00 34.73 C ATOM 545 O LYS A 75 -5.405 -17.771 -32.076 1.00 33.64 O ATOM 546 CB LYS A 75 -3.456 -15.913 -30.109 1.00 29.94 C ATOM 547 CG LYS A 75 -3.888 -14.876 -31.159 1.00 37.11 C ATOM 548 CD LYS A 75 -2.831 -13.786 -31.351 1.00 44.23 C ATOM 549 CE LYS A 75 -3.347 -12.630 -32.232 1.00 44.67 C ATOM 550 NZ LYS A 75 -3.268 -12.911 -33.703 1.00 43.60 N ATOM 551 HZ1 LYS A 75 -2.278 -13.085 -33.969 1.00 0.00 H ATOM 552 HZ2 LYS A 75 -3.841 -13.750 -33.926 1.00 0.00 H ATOM 553 HZ3 LYS A 75 -3.631 -12.092 -34.231 1.00 0.00 H ATOM 554 H LYS A 75 -3.203 -17.692 -28.278 1.00 0.00 H ATOM 555 N SER A 76 -3.421 -18.701 -31.561 1.00 32.09 N ATOM 556 CA SER A 76 -3.372 -19.495 -32.788 1.00 35.29 C ATOM 557 C SER A 76 -4.564 -20.440 -32.895 1.00 31.42 C ATOM 558 O SER A 76 -5.108 -20.646 -33.986 1.00 35.50 O ATOM 559 CB SER A 76 -2.062 -20.282 -32.840 1.00 36.61 C ATOM 560 OG SER A 76 -2.002 -21.105 -33.993 1.00 37.81 O ATOM 561 HG SER A 76 -2.756 -21.747 -33.979 1.00 0.00 H ATOM 562 H SER A 76 -2.642 -18.772 -30.875 1.00 0.00 H ATOM 563 N GLU A 77 -4.986 -21.021 -31.776 1.00 26.52 N ATOM 564 CA GLU A 77 -6.115 -21.944 -31.812 1.00 31.80 C ATOM 565 C GLU A 77 -7.442 -21.199 -31.926 1.00 32.23 C ATOM 566 O GLU A 77 -8.368 -21.675 -32.595 1.00 30.93 O ATOM 567 CB GLU A 77 -6.089 -22.854 -30.586 1.00 29.88 C ATOM 568 CG GLU A 77 -4.965 -23.895 -30.660 1.00 32.34 C ATOM 569 CD GLU A 77 -4.964 -24.873 -29.496 1.00 34.61 C ATOM 570 OE1 GLU A 77 -3.861 -25.334 -29.113 1.00 36.15 O ATOM 571 OE2 GLU A 77 -6.056 -25.187 -28.975 1.00 32.08 O ATOM 572 H GLU A 77 -4.511 -20.817 -30.874 1.00 0.00 H ATOM 573 N LEU A 78 -7.559 -20.028 -31.286 1.00 30.58 N ATOM 574 CA LEU A 78 -8.755 -19.208 -31.473 1.00 31.81 C ATOM 575 C LEU A 78 -8.962 -18.856 -32.935 1.00 30.46 C ATOM 576 O LEU A 78 -10.105 -18.731 -33.389 1.00 33.96 O ATOM 577 CB LEU A 78 -8.671 -17.910 -30.667 1.00 30.31 C ATOM 578 CG LEU A 78 -8.704 -17.912 -29.138 1.00 34.22 C ATOM 579 CD1 LEU A 78 -8.732 -16.459 -28.615 1.00 32.77 C ATOM 580 CD2 LEU A 78 -9.891 -18.690 -28.630 1.00 32.09 C ATOM 581 H LEU A 78 -6.799 -19.702 -30.656 1.00 0.00 H ATOM 582 N GLU A 79 -7.877 -18.690 -33.688 1.00 30.60 N ATOM 583 CA GLU A 79 -8.011 -18.265 -35.075 1.00 33.61 C ATOM 584 C GLU A 79 -8.502 -19.379 -35.988 1.00 38.88 C ATOM 585 O GLU A 79 -8.647 -19.150 -37.192 1.00 37.29 O ATOM 586 CB GLU A 79 -6.679 -17.699 -35.571 1.00 36.55 C ATOM 587 CG GLU A 79 -6.474 -16.254 -35.076 1.00 39.55 C ATOM 588 CD GLU A 79 -5.018 -15.837 -34.953 1.00 44.08 C ATOM 589 OE1 GLU A 79 -4.117 -16.678 -35.190 1.00 48.41 O ATOM 590 OE2 GLU A 79 -4.777 -14.653 -34.614 1.00 48.53 O ATOM 591 H GLU A 79 -6.934 -18.864 -33.286 1.00 0.00 H ATOM 592 N GLU A 80 -8.756 -20.566 -35.443 1.00 36.81 N ATOM 593 CA GLU A 80 -9.425 -21.646 -36.162 1.00 36.18 C ATOM 594 C GLU A 80 -10.943 -21.554 -36.082 1.00 43.36 C ATOM 595 O GLU A 80 -11.637 -22.325 -36.755 1.00 46.98 O ATOM 596 CB GLU A 80 -8.979 -22.996 -35.600 1.00 39.21 C ATOM 597 CG GLU A 80 -7.524 -23.314 -35.863 1.00 33.23 C ATOM 598 CD GLU A 80 -7.226 -23.441 -37.340 1.00 40.54 C ATOM 599 OE1 GLU A 80 -8.048 -24.065 -38.046 1.00 43.29 O ATOM 600 OE2 GLU A 80 -6.189 -22.911 -37.800 1.00 44.41 O ATOM 601 H GLU A 80 -8.464 -20.732 -34.459 1.00 0.00 H ATOM 602 N GLN A 81 -11.472 -20.642 -35.276 1.00 37.03 N ATOM 603 CA GLN A 81 -12.902 -20.572 -34.994 1.00 42.43 C ATOM 604 C GLN A 81 -13.343 -19.121 -34.935 1.00 38.84 C ATOM 605 O GLN A 81 -13.977 -18.678 -33.977 1.00 44.12 O ATOM 606 CB GLN A 81 -13.237 -21.280 -33.685 1.00 47.36 C ATOM 607 CG GLN A 81 -12.953 -22.775 -33.682 1.00 55.85 C ATOM 608 CD GLN A 81 -14.221 -23.611 -33.642 1.00 59.26 C ATOM 609 OE1 GLN A 81 -14.463 -24.435 -34.527 1.00 58.32 O ATOM 610 NE2 GLN A 81 -15.039 -23.402 -32.613 1.00 65.01 N ATOM 611 HE22 GLN A 81 -14.794 -22.696 -31.889 1.00 0.00 H ATOM 612 HE21 GLN A 81 -15.923 -23.944 -32.533 1.00 0.00 H ATOM 613 H GLN A 81 -10.841 -19.948 -34.827 1.00 0.00 H ATOM 614 N LEU A 82 -12.998 -18.362 -35.967 1.00 39.21 N ATOM 615 CA LEU A 82 -13.333 -16.949 -36.034 1.00 39.41 C ATOM 616 C LEU A 82 -14.674 -16.744 -36.729 1.00 48.77 C ATOM 617 O LEU A 82 -15.008 -17.452 -37.682 1.00 47.00 O ATOM 618 CB LEU A 82 -12.245 -16.178 -36.786 1.00 43.63 C ATOM 619 CG LEU A 82 -10.825 -16.196 -36.207 1.00 39.94 C ATOM 620 CD1 LEU A 82 -9.834 -15.593 -37.199 1.00 36.02 C ATOM 621 CD2 LEU A 82 -10.773 -15.473 -34.856 1.00 40.78 C ATOM 622 H LEU A 82 -12.471 -18.792 -36.754 1.00 0.00 H ATOM 623 N THR A 83 -15.444 -15.778 -36.234 1.00 47.38 N ATOM 624 CA THR A 83 -16.567 -15.240 -36.996 1.00 49.20 C ATOM 625 C THR A 83 -16.016 -14.380 -38.125 1.00 54.35 C ATOM 626 O THR A 83 -15.204 -13.480 -37.865 1.00 57.64 O ATOM 627 CB THR A 83 -17.485 -14.413 -36.097 1.00 51.61 C ATOM 628 OG1 THR A 83 -18.060 -15.259 -35.093 1.00 47.11 O ATOM 629 CG2 THR A 83 -18.596 -13.736 -36.914 1.00 54.70 C ATOM 630 HG1 THR A 83 -18.654 -14.722 -34.511 1.00 0.00 H ATOM 631 H THR A 83 -15.242 -15.399 -35.287 1.00 0.00 H ATOM 632 N PRO A 84 -16.394 -14.624 -39.380 1.00 60.96 N ATOM 633 CA PRO A 84 -15.796 -13.869 -40.498 1.00 58.76 C ATOM 634 C PRO A 84 -16.264 -12.419 -40.507 1.00 55.08 C ATOM 635 O PRO A 84 -17.464 -12.139 -40.490 1.00 58.10 O ATOM 636 CB PRO A 84 -16.276 -14.631 -41.741 1.00 60.19 C ATOM 637 CG PRO A 84 -17.492 -15.379 -41.287 1.00 59.99 C ATOM 638 CD PRO A 84 -17.287 -15.703 -39.839 1.00 57.93 C ATOM 639 N VAL A 85 -15.300 -11.496 -40.522 1.00 59.71 N ATOM 640 CA VAL A 85 -15.544 -10.059 -40.581 1.00 53.80 C ATOM 641 C VAL A 85 -14.610 -9.458 -41.630 1.00 50.91 C ATOM 642 O VAL A 85 -13.770 -10.152 -42.204 1.00 54.91 O ATOM 643 CB VAL A 85 -15.341 -9.376 -39.212 1.00 55.52 C ATOM 644 CG1 VAL A 85 -16.306 -9.942 -38.185 1.00 52.37 C ATOM 645 CG2 VAL A 85 -13.904 -9.547 -38.751 1.00 49.75 C ATOM 646 H VAL A 85 -14.313 -11.822 -40.490 1.00 0.00 H ATOM 647 N ALA A 86 -14.752 -8.154 -41.869 1.00 51.03 N ATOM 648 CA ALA A 86 -13.922 -7.496 -42.873 1.00 50.55 C ATOM 649 C ALA A 86 -12.441 -7.635 -42.535 1.00 54.56 C ATOM 650 O ALA A 86 -12.039 -7.611 -41.367 1.00 57.25 O ATOM 651 CB ALA A 86 -14.287 -6.017 -42.992 1.00 49.96 C ATOM 652 H ALA A 86 -15.457 -7.604 -41.338 1.00 0.00 H ATOM 653 N GLU A 87 -11.623 -7.771 -43.582 1.00 53.25 N ATOM 654 CA GLU A 87 -10.207 -8.070 -43.388 1.00 56.62 C ATOM 655 C GLU A 87 -9.499 -6.982 -42.588 1.00 57.03 C ATOM 656 O GLU A 87 -8.602 -7.275 -41.788 1.00 48.14 O ATOM 657 CB GLU A 87 -9.521 -8.266 -44.738 1.00 57.43 C ATOM 658 CG GLU A 87 -8.163 -8.931 -44.624 1.00 68.94 C ATOM 659 CD GLU A 87 -7.998 -10.089 -45.589 1.00 82.19 C ATOM 660 OE1 GLU A 87 -6.929 -10.181 -46.234 1.00 88.68 O ATOM 661 OE2 GLU A 87 -8.938 -10.909 -45.698 1.00 87.02 O ATOM 662 H GLU A 87 -11.999 -7.663 -44.546 1.00 0.00 H ATOM 663 N GLU A 88 -9.876 -5.719 -42.797 1.00 52.63 N ATOM 664 CA GLU A 88 -9.245 -4.634 -42.052 1.00 51.43 C ATOM 665 C GLU A 88 -9.665 -4.643 -40.583 1.00 50.77 C ATOM 666 O GLU A 88 -8.901 -4.195 -39.717 1.00 49.03 O ATOM 667 CB GLU A 88 -9.578 -3.289 -42.704 1.00 59.62 C ATOM 668 CG GLU A 88 -9.225 -3.204 -44.204 1.00 66.85 C ATOM 669 CD GLU A 88 -10.298 -3.811 -45.122 1.00 72.74 C ATOM 670 OE1 GLU A 88 -9.988 -4.061 -46.312 1.00 71.67 O ATOM 671 OE2 GLU A 88 -11.444 -4.038 -44.656 1.00 62.99 O ATOM 672 H GLU A 88 -10.620 -5.508 -43.492 1.00 0.00 H ATOM 673 N THR A 89 -10.867 -5.146 -40.283 1.00 47.81 N ATOM 674 CA THR A 89 -11.323 -5.239 -38.898 1.00 48.90 C ATOM 675 C THR A 89 -10.603 -6.362 -38.158 1.00 46.73 C ATOM 676 O THR A 89 -10.135 -6.180 -37.027 1.00 43.80 O ATOM 677 CB THR A 89 -12.836 -5.460 -38.866 1.00 51.04 C ATOM 678 OG1 THR A 89 -13.501 -4.245 -39.224 1.00 55.50 O ATOM 679 CG2 THR A 89 -13.305 -5.905 -37.477 1.00 45.30 C ATOM 680 HG1 THR A 89 -13.256 -3.534 -38.580 1.00 0.00 H ATOM 681 H THR A 89 -11.488 -5.477 -41.049 1.00 0.00 H ATOM 682 N ARG A 90 -10.523 -7.538 -38.786 1.00 46.92 N ATOM 683 CA ARG A 90 -9.766 -8.651 -38.224 1.00 41.56 C ATOM 684 C ARG A 90 -8.305 -8.274 -38.024 1.00 44.47 C ATOM 685 O ARG A 90 -7.690 -8.637 -37.009 1.00 44.09 O ATOM 686 CB ARG A 90 -9.888 -9.863 -39.149 1.00 43.44 C ATOM 687 CG ARG A 90 -9.124 -11.102 -38.710 1.00 43.91 C ATOM 688 CD ARG A 90 -9.547 -11.545 -37.318 1.00 43.39 C ATOM 689 NE ARG A 90 -10.942 -11.971 -37.267 1.00 45.12 N ATOM 690 CZ ARG A 90 -11.652 -12.058 -36.142 1.00 44.40 C ATOM 691 NH1 ARG A 90 -11.088 -11.742 -34.982 1.00 41.26 N ATOM 692 NH2 ARG A 90 -12.921 -12.452 -36.174 1.00 40.70 N ATOM 693 HE ARG A 90 -11.410 -12.222 -38.161 1.00 0.00 H ATOM 694 HH12 ARG A 90 -11.637 -11.808 -34.101 1.00 0.00 H ATOM 695 HH11 ARG A 90 -10.097 -11.428 -34.954 1.00 0.00 H ATOM 696 HH22 ARG A 90 -13.468 -12.517 -35.292 1.00 0.00 H ATOM 697 HH21 ARG A 90 -13.367 -12.695 -37.081 1.00 0.00 H ATOM 698 H ARG A 90 -11.011 -7.663 -39.696 1.00 0.00 H ATOM 699 N ALA A 91 -7.729 -7.546 -38.983 1.00 41.52 N ATOM 700 CA ALA A 91 -6.320 -7.177 -38.886 1.00 45.79 C ATOM 701 C ALA A 91 -6.077 -6.237 -37.711 1.00 41.51 C ATOM 702 O ALA A 91 -5.089 -6.393 -36.982 1.00 39.64 O ATOM 703 CB ALA A 91 -5.851 -6.539 -40.194 1.00 39.77 C ATOM 704 H ALA A 91 -8.288 -7.240 -39.805 1.00 0.00 H ATOM 705 N ARG A 92 -6.965 -5.255 -37.521 1.00 35.73 N ATOM 706 CA ARG A 92 -6.877 -4.364 -36.367 1.00 38.08 C ATOM 707 C ARG A 92 -7.002 -5.136 -35.056 1.00 37.71 C ATOM 708 O ARG A 92 -6.217 -4.922 -34.126 1.00 37.36 O ATOM 709 CB ARG A 92 -7.954 -3.279 -36.447 1.00 41.59 C ATOM 710 CG ARG A 92 -8.092 -2.469 -35.148 1.00 43.71 C ATOM 711 CD ARG A 92 -9.046 -1.284 -35.276 1.00 40.93 C ATOM 712 NE ARG A 92 -10.414 -1.707 -35.571 1.00 46.15 N ATOM 713 CZ ARG A 92 -11.252 -2.227 -34.676 1.00 52.80 C ATOM 714 NH1 ARG A 92 -10.865 -2.388 -33.416 1.00 54.74 N ATOM 715 NH2 ARG A 92 -12.481 -2.585 -35.042 1.00 53.81 N ATOM 716 HE ARG A 92 -10.756 -1.594 -36.547 1.00 0.00 H ATOM 717 HH12 ARG A 92 -11.521 -2.794 -32.718 1.00 0.00 H ATOM 718 HH11 ARG A 92 -9.906 -2.108 -33.127 1.00 0.00 H ATOM 719 HH22 ARG A 92 -13.134 -2.991 -34.342 1.00 0.00 H ATOM 720 HH21 ARG A 92 -12.788 -2.459 -36.028 1.00 0.00 H ATOM 721 H ARG A 92 -7.734 -5.123 -38.209 1.00 0.00 H ATOM 722 N LEU A 93 -7.996 -6.026 -34.952 1.00 34.77 N ATOM 723 CA LEU A 93 -8.182 -6.773 -33.703 1.00 38.30 C ATOM 724 C LEU A 93 -6.969 -7.636 -33.383 1.00 36.68 C ATOM 725 O LEU A 93 -6.585 -7.785 -32.213 1.00 35.78 O ATOM 726 CB LEU A 93 -9.438 -7.640 -33.786 1.00 34.29 C ATOM 727 CG LEU A 93 -10.755 -6.879 -33.748 1.00 40.96 C ATOM 728 CD1 LEU A 93 -11.931 -7.851 -33.848 1.00 38.92 C ATOM 729 CD2 LEU A 93 -10.854 -6.034 -32.473 1.00 36.50 C ATOM 730 H LEU A 93 -8.636 -6.188 -35.756 1.00 0.00 H ATOM 731 N SER A 94 -6.359 -8.218 -34.410 1.00 32.82 N ATOM 732 CA SER A 94 -5.168 -9.034 -34.217 1.00 32.52 C ATOM 733 C SER A 94 -3.992 -8.191 -33.750 1.00 40.27 C ATOM 734 O SER A 94 -3.185 -8.637 -32.923 1.00 37.76 O ATOM 735 CB SER A 94 -4.828 -9.747 -35.522 1.00 32.48 C ATOM 736 OG SER A 94 -3.685 -10.557 -35.359 1.00 38.10 O ATOM 737 HG SER A 94 -2.917 -9.992 -35.091 1.00 0.00 H ATOM 738 H SER A 94 -6.739 -8.089 -35.369 1.00 0.00 H ATOM 739 N LYS A 95 -3.873 -6.980 -34.289 1.00 36.82 N ATOM 740 CA LYS A 95 -2.826 -6.055 -33.872 1.00 40.17 C ATOM 741 C LYS A 95 -3.023 -5.634 -32.424 1.00 35.18 C ATOM 742 O LYS A 95 -2.075 -5.634 -31.633 1.00 35.69 O ATOM 743 CB LYS A 95 -2.838 -4.840 -34.797 1.00 39.74 C ATOM 744 CG LYS A 95 -1.724 -3.820 -34.588 1.00 51.74 C ATOM 745 CD LYS A 95 -1.982 -2.582 -35.461 1.00 49.76 C ATOM 746 CE LYS A 95 -0.762 -1.668 -35.543 1.00 56.57 C ATOM 747 NZ LYS A 95 -1.114 -0.403 -36.248 1.00 45.95 N ATOM 748 HZ1 LYS A 95 -1.441 -0.623 -37.210 1.00 0.00 H ATOM 749 HZ2 LYS A 95 -1.871 0.084 -35.727 1.00 0.00 H ATOM 750 HZ3 LYS A 95 -0.275 0.210 -36.297 1.00 0.00 H ATOM 751 H LYS A 95 -4.544 -6.686 -35.027 1.00 0.00 H ATOM 752 N GLU A 96 -4.250 -5.259 -32.068 1.00 36.16 N ATOM 753 CA GLU A 96 -4.543 -4.869 -30.694 1.00 35.24 C ATOM 754 C GLU A 96 -4.265 -6.014 -29.725 1.00 40.18 C ATOM 755 O GLU A 96 -3.738 -5.791 -28.627 1.00 31.72 O ATOM 756 CB GLU A 96 -5.994 -4.399 -30.582 1.00 33.86 C ATOM 757 CG GLU A 96 -6.289 -3.076 -31.313 1.00 34.28 C ATOM 758 CD GLU A 96 -7.781 -2.750 -31.400 1.00 45.37 C ATOM 759 OE1 GLU A 96 -8.614 -3.494 -30.823 1.00 45.93 O ATOM 760 OE2 GLU A 96 -8.131 -1.742 -32.053 1.00 41.84 O ATOM 761 H GLU A 96 -5.009 -5.244 -32.779 1.00 0.00 H ATOM 762 N LEU A 97 -4.600 -7.248 -30.121 1.00 32.86 N ATOM 763 CA LEU A 97 -4.322 -8.404 -29.271 1.00 32.48 C ATOM 764 C LEU A 97 -2.823 -8.647 -29.152 1.00 37.43 C ATOM 765 O LEU A 97 -2.320 -8.947 -28.060 1.00 35.23 O ATOM 766 CB LEU A 97 -5.032 -9.631 -29.829 1.00 32.47 C ATOM 767 CG LEU A 97 -4.952 -10.911 -29.020 1.00 41.34 C ATOM 768 CD1 LEU A 97 -5.396 -10.622 -27.583 1.00 35.27 C ATOM 769 CD2 LEU A 97 -5.840 -11.973 -29.666 1.00 40.45 C ATOM 770 H LEU A 97 -5.063 -7.385 -31.042 1.00 0.00 H ATOM 771 N GLN A 98 -2.091 -8.499 -30.263 1.00 36.98 N ATOM 772 CA GLN A 98 -0.633 -8.619 -30.225 1.00 41.80 C ATOM 773 C GLN A 98 -0.021 -7.618 -29.254 1.00 39.32 C ATOM 774 O GLN A 98 0.881 -7.964 -28.479 1.00 36.65 O ATOM 775 CB GLN A 98 -0.040 -8.411 -31.626 1.00 42.57 C ATOM 776 CG GLN A 98 0.092 -9.682 -32.451 1.00 50.04 C ATOM 777 CD GLN A 98 0.768 -10.809 -31.694 1.00 65.85 C ATOM 778 OE1 GLN A 98 0.217 -11.910 -31.574 1.00 62.70 O ATOM 779 NE2 GLN A 98 1.978 -10.548 -31.191 1.00 60.53 N ATOM 780 HE22 GLN A 98 2.402 -9.607 -31.317 1.00 0.00 H ATOM 781 HE21 GLN A 98 2.496 -11.286 -30.673 1.00 0.00 H ATOM 782 H GLN A 98 -2.565 -8.296 -31.166 1.00 0.00 H ATOM 783 N ALA A 99 -0.488 -6.369 -29.289 1.00 36.60 N ATOM 784 CA ALA A 99 0.084 -5.353 -28.412 1.00 36.18 C ATOM 785 C ALA A 99 -0.256 -5.613 -26.946 1.00 33.89 C ATOM 786 O ALA A 99 0.540 -5.282 -26.058 1.00 36.41 O ATOM 787 CB ALA A 99 -0.398 -3.968 -28.839 1.00 34.82 C ATOM 788 H ALA A 99 -1.259 -6.120 -29.941 1.00 0.00 H ATOM 789 N ALA A 100 -1.427 -6.192 -26.666 1.00 29.06 N ATOM 790 CA ALA A 100 -1.764 -6.544 -25.289 1.00 31.77 C ATOM 791 C ALA A 100 -0.948 -7.737 -24.799 1.00 32.13 C ATOM 792 O ALA A 100 -0.648 -7.827 -23.604 1.00 30.87 O ATOM 793 CB ALA A 100 -3.267 -6.848 -25.166 1.00 27.84 C ATOM 794 H ALA A 100 -2.101 -6.393 -27.432 1.00 0.00 H ATOM 795 N GLN A 101 -0.621 -8.680 -25.689 1.00 32.02 N ATOM 796 CA GLN A 101 0.291 -9.757 -25.313 1.00 32.54 C ATOM 797 C GLN A 101 1.662 -9.211 -24.970 1.00 34.53 C ATOM 798 O GLN A 101 2.291 -9.646 -23.998 1.00 34.14 O ATOM 799 CB GLN A 101 0.435 -10.759 -26.450 1.00 34.75 C ATOM 800 CG GLN A 101 -0.713 -11.690 -26.672 1.00 42.20 C ATOM 801 CD GLN A 101 -0.496 -12.495 -27.945 1.00 55.08 C ATOM 802 OE1 GLN A 101 -0.968 -12.117 -29.022 1.00 46.39 O ATOM 803 NE2 GLN A 101 0.256 -13.587 -27.833 1.00 45.16 N ATOM 804 HE22 GLN A 101 0.632 -13.866 -26.904 1.00 0.00 H ATOM 805 HE21 GLN A 101 0.468 -14.161 -28.674 1.00 0.00 H ATOM 806 H GLN A 101 -1.017 -8.646 -26.650 1.00 0.00 H ATOM 807 N ALA A 102 2.156 -8.282 -25.789 1.00 34.15 N ATOM 808 CA ALA A 102 3.477 -7.713 -25.572 1.00 36.83 C ATOM 809 C ALA A 102 3.546 -6.959 -24.253 1.00 32.33 C ATOM 810 O ALA A 102 4.577 -6.992 -23.569 1.00 33.81 O ATOM 811 CB ALA A 102 3.830 -6.792 -26.730 1.00 30.32 C ATOM 812 H ALA A 102 1.587 -7.959 -26.597 1.00 0.00 H ATOM 813 N ARG A 103 2.474 -6.240 -23.903 1.00 27.12 N ATOM 814 CA ARG A 103 2.441 -5.505 -22.647 1.00 28.97 C ATOM 815 C ARG A 103 2.596 -6.448 -21.467 1.00 29.13 C ATOM 816 O ARG A 103 3.326 -6.146 -20.516 1.00 29.48 O ATOM 817 CB ARG A 103 1.134 -4.711 -22.523 1.00 32.60 C ATOM 818 CG ARG A 103 1.188 -3.295 -23.105 1.00 44.58 C ATOM 819 CD ARG A 103 -0.013 -2.428 -22.690 1.00 40.81 C ATOM 820 NE ARG A 103 -1.293 -2.952 -23.178 1.00 48.69 N ATOM 821 CZ ARG A 103 -1.825 -2.689 -24.376 1.00 49.19 C ATOM 822 NH1 ARG A 103 -1.207 -1.890 -25.240 1.00 45.70 N ATOM 823 NH2 ARG A 103 -2.991 -3.228 -24.707 1.00 44.69 N ATOM 824 HE ARG A 103 -1.829 -3.577 -22.542 1.00 0.00 H ATOM 825 HH12 ARG A 103 -1.636 -1.696 -26.168 1.00 0.00 H ATOM 826 HH11 ARG A 103 -0.295 -1.458 -24.988 1.00 0.00 H ATOM 827 HH22 ARG A 103 -3.411 -3.028 -25.637 1.00 0.00 H ATOM 828 HH21 ARG A 103 -3.485 -3.851 -24.036 1.00 0.00 H ATOM 829 H ARG A 103 1.651 -6.205 -24.538 1.00 0.00 H ATOM 830 N LEU A 104 1.913 -7.596 -21.509 1.00 30.71 N ATOM 831 CA LEU A 104 2.013 -8.563 -20.417 1.00 31.24 C ATOM 832 C LEU A 104 3.435 -9.089 -20.281 1.00 31.22 C ATOM 833 O LEU A 104 3.970 -9.185 -19.172 1.00 27.84 O ATOM 834 CB LEU A 104 1.050 -9.723 -20.647 1.00 27.58 C ATOM 835 CG LEU A 104 0.858 -10.685 -19.475 1.00 29.34 C ATOM 836 CD1 LEU A 104 0.016 -10.030 -18.424 1.00 38.73 C ATOM 837 CD2 LEU A 104 0.197 -11.969 -19.940 1.00 31.29 C ATOM 838 H LEU A 104 1.304 -7.803 -22.326 1.00 0.00 H ATOM 839 N GLY A 105 4.054 -9.459 -21.402 1.00 32.75 N ATOM 840 CA GLY A 105 5.431 -9.921 -21.355 1.00 31.00 C ATOM 841 C GLY A 105 6.382 -8.857 -20.837 1.00 34.80 C ATOM 842 O GLY A 105 7.309 -9.154 -20.074 1.00 30.82 O ATOM 843 H GLY A 105 3.551 -9.417 -22.311 1.00 0.00 H ATOM 844 N ALA A 106 6.153 -7.599 -21.227 1.00 30.76 N ATOM 845 CA ALA A 106 6.990 -6.504 -20.748 1.00 30.00 C ATOM 846 C ALA A 106 6.797 -6.261 -19.249 1.00 30.23 C ATOM 847 O ALA A 106 7.771 -5.983 -18.537 1.00 29.98 O ATOM 848 CB ALA A 106 6.694 -5.234 -21.546 1.00 32.14 C ATOM 849 H ALA A 106 5.369 -7.398 -21.880 1.00 0.00 H ATOM 850 N ASP A 107 5.556 -6.363 -18.754 1.00 26.02 N ATOM 851 CA ASP A 107 5.305 -6.256 -17.315 1.00 25.12 C ATOM 852 C ASP A 107 6.080 -7.307 -16.537 1.00 29.89 C ATOM 853 O ASP A 107 6.643 -7.019 -15.468 1.00 25.78 O ATOM 854 CB ASP A 107 3.821 -6.439 -17.009 1.00 27.42 C ATOM 855 CG ASP A 107 2.952 -5.364 -17.582 1.00 30.92 C ATOM 856 OD1 ASP A 107 3.452 -4.265 -17.907 1.00 26.04 O ATOM 857 OD2 ASP A 107 1.743 -5.649 -17.696 1.00 30.56 O ATOM 858 H ASP A 107 4.758 -6.521 -19.402 1.00 0.00 H ATOM 859 N MET A 108 6.038 -8.557 -17.012 1.00 26.94 N ATOM 860 CA MET A 108 6.738 -9.633 -16.313 1.00 27.39 C ATOM 861 C MET A 108 8.248 -9.410 -16.340 1.00 29.36 C ATOM 862 O MET A 108 8.933 -9.666 -15.350 1.00 27.75 O ATOM 863 CB MET A 108 6.360 -10.990 -16.921 1.00 27.82 C ATOM 864 CG MET A 108 4.894 -11.390 -16.689 1.00 27.41 C ATOM 865 SD MET A 108 4.369 -13.040 -17.270 1.00 35.16 S ATOM 866 CE MET A 108 3.998 -12.783 -18.995 1.00 36.01 C ATOM 867 H MET A 108 5.506 -8.764 -17.881 1.00 0.00 H ATOM 868 N GLU A 109 8.785 -8.907 -17.458 1.00 30.08 N ATOM 869 CA GLU A 109 10.204 -8.562 -17.506 1.00 31.49 C ATOM 870 C GLU A 109 10.541 -7.409 -16.565 1.00 31.19 C ATOM 871 O GLU A 109 11.630 -7.378 -15.986 1.00 28.28 O ATOM 872 CB GLU A 109 10.615 -8.193 -18.932 1.00 31.49 C ATOM 873 CG GLU A 109 11.256 -9.332 -19.695 1.00 48.07 C ATOM 874 CD GLU A 109 12.412 -10.000 -18.938 1.00 52.03 C ATOM 875 OE1 GLU A 109 12.595 -11.221 -19.112 1.00 60.90 O ATOM 876 OE2 GLU A 109 13.148 -9.312 -18.192 1.00 54.10 O ATOM 877 H GLU A 109 8.189 -8.761 -18.297 1.00 0.00 H ATOM 878 N ASP A 110 9.649 -6.419 -16.448 1.00 29.01 N ATOM 879 CA ASP A 110 9.891 -5.305 -15.534 1.00 34.78 C ATOM 880 C ASP A 110 10.011 -5.802 -14.101 1.00 29.45 C ATOM 881 O ASP A 110 10.820 -5.293 -13.312 1.00 31.29 O ATOM 882 CB ASP A 110 8.751 -4.281 -15.623 1.00 29.31 C ATOM 883 CG ASP A 110 8.824 -3.407 -16.870 1.00 39.43 C ATOM 884 OD1 ASP A 110 9.862 -3.405 -17.564 1.00 36.98 O ATOM 885 OD2 ASP A 110 7.819 -2.716 -17.154 1.00 34.78 O ATOM 886 H ASP A 110 8.776 -6.442 -17.012 1.00 0.00 H ATOM 887 N VAL A 111 9.190 -6.780 -13.740 1.00 28.41 N ATOM 888 CA VAL A 111 9.276 -7.363 -12.409 1.00 24.54 C ATOM 889 C VAL A 111 10.621 -8.062 -12.229 1.00 30.49 C ATOM 890 O VAL A 111 11.351 -7.802 -11.261 1.00 27.78 O ATOM 891 CB VAL A 111 8.094 -8.322 -12.174 1.00 27.32 C ATOM 892 CG1 VAL A 111 8.332 -9.153 -10.915 1.00 29.34 C ATOM 893 CG2 VAL A 111 6.773 -7.550 -12.067 1.00 25.87 C ATOM 894 H VAL A 111 8.480 -7.133 -14.413 1.00 0.00 H ATOM 895 N ARG A 112 10.978 -8.945 -13.172 1.00 26.85 N ATOM 896 CA ARG A 112 12.279 -9.602 -13.126 1.00 31.73 C ATOM 897 C ARG A 112 13.408 -8.589 -13.001 1.00 31.79 C ATOM 898 O ARG A 112 14.291 -8.732 -12.152 1.00 30.15 O ATOM 899 CB ARG A 112 12.489 -10.451 -14.373 1.00 33.83 C ATOM 900 CG ARG A 112 11.902 -11.830 -14.310 1.00 42.59 C ATOM 901 CD ARG A 112 12.557 -12.695 -15.383 1.00 44.20 C ATOM 902 NE ARG A 112 14.002 -12.789 -15.187 1.00 49.10 N ATOM 903 CZ ARG A 112 14.907 -12.262 -16.004 1.00 53.47 C ATOM 904 NH1 ARG A 112 14.517 -11.597 -17.077 1.00 53.35 N ATOM 905 NH2 ARG A 112 16.201 -12.403 -15.746 1.00 55.55 N ATOM 906 HE ARG A 112 14.345 -13.304 -14.351 1.00 0.00 H ATOM 907 HH12 ARG A 112 15.224 -11.184 -17.718 1.00 0.00 H ATOM 908 HH11 ARG A 112 13.503 -11.487 -17.281 1.00 0.00 H ATOM 909 HH22 ARG A 112 16.907 -11.989 -16.388 1.00 0.00 H ATOM 910 HH21 ARG A 112 16.509 -12.927 -14.902 1.00 0.00 H ATOM 911 H ARG A 112 10.319 -9.164 -13.946 1.00 0.00 H ATOM 912 N GLY A 113 13.391 -7.555 -13.845 1.00 27.04 N ATOM 913 CA GLY A 113 14.460 -6.568 -13.813 1.00 30.15 C ATOM 914 C GLY A 113 14.584 -5.865 -12.473 1.00 32.14 C ATOM 915 O GLY A 113 15.691 -5.576 -12.016 1.00 28.39 O ATOM 916 H GLY A 113 12.612 -7.455 -14.527 1.00 0.00 H ATOM 917 N ARG A 114 13.450 -5.561 -11.835 1.00 25.51 N ATOM 918 CA ARG A 114 13.478 -4.869 -10.547 1.00 27.83 C ATOM 919 C ARG A 114 14.077 -5.747 -9.465 1.00 24.75 C ATOM 920 O ARG A 114 14.710 -5.236 -8.538 1.00 28.21 O ATOM 921 CB ARG A 114 12.065 -4.426 -10.151 1.00 27.44 C ATOM 922 CG ARG A 114 11.960 -3.620 -8.849 1.00 27.17 C ATOM 923 CD ARG A 114 12.846 -2.388 -8.900 1.00 26.45 C ATOM 924 NE ARG A 114 12.791 -1.638 -7.650 1.00 28.45 N ATOM 925 CZ ARG A 114 13.579 -1.869 -6.604 1.00 30.14 C ATOM 926 NH1 ARG A 114 14.493 -2.828 -6.656 1.00 27.37 N ATOM 927 NH2 ARG A 114 13.451 -1.138 -5.508 1.00 28.19 N ATOM 928 HE ARG A 114 12.090 -0.873 -7.572 1.00 0.00 H ATOM 929 HH12 ARG A 114 15.107 -3.006 -5.836 1.00 0.00 H ATOM 930 HH11 ARG A 114 14.596 -3.403 -7.517 1.00 0.00 H ATOM 931 HH22 ARG A 114 14.066 -1.317 -4.689 1.00 0.00 H ATOM 932 HH21 ARG A 114 12.735 -0.385 -5.466 1.00 0.00 H ATOM 933 H ARG A 114 12.536 -5.820 -12.260 1.00 0.00 H ATOM 934 N LEU A 115 13.900 -7.065 -9.568 1.00 24.20 N ATOM 935 CA LEU A 115 14.497 -7.969 -8.589 1.00 27.04 C ATOM 936 C LEU A 115 15.977 -8.198 -8.861 1.00 33.05 C ATOM 937 O LEU A 115 16.740 -8.413 -7.922 1.00 31.08 O ATOM 938 CB LEU A 115 13.754 -9.301 -8.576 1.00 25.65 C ATOM 939 CG LEU A 115 12.306 -9.143 -8.111 1.00 24.85 C ATOM 940 CD1 LEU A 115 11.505 -10.407 -8.431 1.00 31.10 C ATOM 941 CD2 LEU A 115 12.196 -8.767 -6.629 1.00 25.06 C ATOM 942 H LEU A 115 13.334 -7.451 -10.350 1.00 0.00 H ATOM 943 N VAL A 116 16.400 -8.166 -10.127 1.00 27.48 N ATOM 944 CA VAL A 116 17.831 -8.141 -10.426 1.00 32.62 C ATOM 945 C VAL A 116 18.477 -6.901 -9.824 1.00 31.08 C ATOM 946 O VAL A 116 19.560 -6.971 -9.234 1.00 28.79 O ATOM 947 CB VAL A 116 18.060 -8.211 -11.949 1.00 28.24 C ATOM 948 CG1 VAL A 116 19.527 -7.924 -12.287 1.00 31.98 C ATOM 949 CG2 VAL A 116 17.644 -9.563 -12.471 1.00 28.18 C ATOM 950 H VAL A 116 15.709 -8.159 -10.904 1.00 0.00 H ATOM 951 N GLN A 117 17.830 -5.746 -9.971 1.00 29.22 N ATOM 952 CA GLN A 117 18.352 -4.521 -9.378 1.00 31.64 C ATOM 953 C GLN A 117 18.505 -4.650 -7.862 1.00 33.88 C ATOM 954 O GLN A 117 19.513 -4.208 -7.293 1.00 29.88 O ATOM 955 CB GLN A 117 17.438 -3.348 -9.728 1.00 30.46 C ATOM 956 CG GLN A 117 17.855 -2.038 -9.100 1.00 35.02 C ATOM 957 CD GLN A 117 16.776 -0.989 -9.206 1.00 42.82 C ATOM 958 OE1 GLN A 117 15.961 -1.013 -10.135 1.00 44.45 O ATOM 959 NE2 GLN A 117 16.740 -0.077 -8.238 1.00 44.10 N ATOM 960 HE22 GLN A 117 17.448 -0.098 -7.477 1.00 0.00 H ATOM 961 HE21 GLN A 117 16.003 0.657 -8.242 1.00 0.00 H ATOM 962 H GLN A 117 16.944 -5.718 -10.514 1.00 0.00 H ATOM 963 N TYR A 118 17.518 -5.244 -7.191 1.00 26.43 N ATOM 964 CA TYR A 118 17.615 -5.411 -5.746 1.00 25.72 C ATOM 965 C TYR A 118 18.879 -6.176 -5.375 1.00 26.38 C ATOM 966 O TYR A 118 19.604 -5.794 -4.450 1.00 28.68 O ATOM 967 CB TYR A 118 16.370 -6.126 -5.215 1.00 24.62 C ATOM 968 CG TYR A 118 16.487 -6.554 -3.771 1.00 26.45 C ATOM 969 CD1 TYR A 118 16.318 -5.634 -2.748 1.00 26.84 C ATOM 970 CD2 TYR A 118 16.775 -7.875 -3.431 1.00 25.81 C ATOM 971 CE1 TYR A 118 16.422 -6.007 -1.430 1.00 31.27 C ATOM 972 CE2 TYR A 118 16.875 -8.269 -2.103 1.00 27.51 C ATOM 973 CZ TYR A 118 16.699 -7.318 -1.111 1.00 29.34 C ATOM 974 OH TYR A 118 16.806 -7.640 0.220 1.00 30.22 O ATOM 975 HH TYR A 118 17.714 -7.991 0.402 1.00 0.00 H ATOM 976 H TYR A 118 16.678 -5.588 -7.699 1.00 0.00 H ATOM 977 N ARG A 119 19.145 -7.272 -6.085 1.00 27.59 N ATOM 978 CA ARG A 119 20.322 -8.093 -5.815 1.00 28.92 C ATOM 979 C ARG A 119 21.587 -7.247 -5.861 1.00 28.58 C ATOM 980 O ARG A 119 22.437 -7.314 -4.966 1.00 28.68 O ATOM 981 CB ARG A 119 20.363 -9.221 -6.852 1.00 30.00 C ATOM 982 CG ARG A 119 21.328 -10.340 -6.631 1.00 40.82 C ATOM 983 CD ARG A 119 20.932 -11.584 -7.465 1.00 37.23 C ATOM 984 NE ARG A 119 21.153 -11.454 -8.910 1.00 43.46 N ATOM 985 CZ ARG A 119 20.236 -11.705 -9.853 1.00 43.08 C ATOM 986 NH1 ARG A 119 18.999 -12.085 -9.532 1.00 33.56 N ATOM 987 NH2 ARG A 119 20.551 -11.574 -11.134 1.00 49.16 N ATOM 988 HE ARG A 119 22.094 -11.143 -9.226 1.00 0.00 H ATOM 989 HH12 ARG A 119 18.303 -12.275 -10.281 1.00 0.00 H ATOM 990 HH11 ARG A 119 18.731 -12.192 -8.533 1.00 0.00 H ATOM 991 HH22 ARG A 119 19.839 -11.769 -11.867 1.00 0.00 H ATOM 992 HH21 ARG A 119 21.510 -11.276 -11.406 1.00 0.00 H ATOM 993 H ARG A 119 18.498 -7.550 -6.851 1.00 0.00 H ATOM 994 N GLY A 120 21.711 -6.421 -6.898 1.00 30.56 N ATOM 995 CA GLY A 120 22.905 -5.608 -7.042 1.00 28.08 C ATOM 996 C GLY A 120 23.025 -4.546 -5.969 1.00 31.27 C ATOM 997 O GLY A 120 24.126 -4.251 -5.499 1.00 29.71 O ATOM 998 H GLY A 120 20.951 -6.358 -7.606 1.00 0.00 H ATOM 999 N GLU A 121 21.900 -3.938 -5.580 1.00 26.93 N ATOM 1000 CA GLU A 121 21.969 -2.901 -4.561 1.00 28.02 C ATOM 1001 C GLU A 121 22.333 -3.483 -3.197 1.00 28.90 C ATOM 1002 O GLU A 121 23.019 -2.822 -2.406 1.00 30.89 O ATOM 1003 CB GLU A 121 20.643 -2.152 -4.487 1.00 31.62 C ATOM 1004 CG GLU A 121 20.330 -1.287 -5.703 1.00 36.89 C ATOM 1005 CD GLU A 121 19.261 -0.256 -5.377 1.00 52.78 C ATOM 1006 OE1 GLU A 121 18.069 -0.508 -5.679 1.00 43.96 O ATOM 1007 OE2 GLU A 121 19.611 0.791 -4.771 1.00 57.84 O ATOM 1008 H GLU A 121 20.986 -4.203 -6.000 1.00 0.00 H ATOM 1009 N VAL A 122 21.893 -4.710 -2.905 1.00 26.63 N ATOM 1010 CA VAL A 122 22.298 -5.369 -1.659 1.00 27.25 C ATOM 1011 C VAL A 122 23.805 -5.622 -1.648 1.00 27.08 C ATOM 1012 O VAL A 122 24.497 -5.300 -0.672 1.00 27.66 O ATOM 1013 CB VAL A 122 21.496 -6.669 -1.444 1.00 28.66 C ATOM 1014 CG1 VAL A 122 22.129 -7.514 -0.306 1.00 27.10 C ATOM 1015 CG2 VAL A 122 20.059 -6.335 -1.103 1.00 29.78 C ATOM 1016 H VAL A 122 21.258 -5.202 -3.566 1.00 0.00 H ATOM 1017 N GLN A 123 24.341 -6.194 -2.730 1.00 29.11 N ATOM 1018 CA GLN A 123 25.784 -6.427 -2.810 1.00 31.43 C ATOM 1019 C GLN A 123 26.573 -5.145 -2.581 1.00 33.07 C ATOM 1020 O GLN A 123 27.582 -5.144 -1.869 1.00 29.85 O ATOM 1021 CB GLN A 123 26.155 -7.032 -4.167 1.00 28.83 C ATOM 1022 CG GLN A 123 25.816 -8.511 -4.324 1.00 33.07 C ATOM 1023 CD GLN A 123 26.568 -9.419 -3.329 1.00 33.31 C ATOM 1024 OE1 GLN A 123 27.688 -9.118 -2.909 1.00 34.64 O ATOM 1025 NE2 GLN A 123 25.957 -10.544 -2.977 1.00 28.05 N ATOM 1026 HE22 GLN A 123 25.012 -10.762 -3.353 1.00 0.00 H ATOM 1027 HE21 GLN A 123 26.423 -11.207 -2.325 1.00 0.00 H ATOM 1028 H GLN A 123 23.728 -6.476 -3.522 1.00 0.00 H ATOM 1029 N ALA A 124 26.107 -4.031 -3.143 1.00 29.57 N ATOM 1030 CA ALA A 124 26.841 -2.782 -3.004 1.00 29.72 C ATOM 1031 C ALA A 124 26.816 -2.248 -1.572 1.00 35.06 C ATOM 1032 O ALA A 124 27.661 -1.414 -1.225 1.00 35.88 O ATOM 1033 CB ALA A 124 26.280 -1.744 -3.977 1.00 35.59 C ATOM 1034 H ALA A 124 25.218 -4.054 -3.682 1.00 0.00 H ATOM 1035 N MET A 125 25.881 -2.713 -0.732 1.00 32.33 N ATOM 1036 CA MET A 125 25.849 -2.318 0.679 1.00 31.58 C ATOM 1037 C MET A 125 26.928 -2.995 1.527 1.00 29.42 C ATOM 1038 O MET A 125 27.119 -2.598 2.683 1.00 32.09 O ATOM 1039 CB MET A 125 24.482 -2.640 1.292 1.00 32.30 C ATOM 1040 CG MET A 125 23.295 -1.904 0.690 1.00 38.91 C ATOM 1041 SD MET A 125 23.300 -0.170 1.135 1.00 51.71 S ATOM 1042 CE MET A 125 22.986 -0.248 2.899 1.00 46.22 C ATOM 1043 H MET A 125 25.160 -3.371 -1.091 1.00 0.00 H ATOM 1044 N LEU A 126 27.610 -4.018 1.008 1.00 29.16 N ATOM 1045 CA LEU A 126 28.771 -4.603 1.694 1.00 31.07 C ATOM 1046 C LEU A 126 28.434 -5.038 3.120 1.00 29.32 C ATOM 1047 O LEU A 126 29.212 -4.833 4.058 1.00 30.60 O ATOM 1048 CB LEU A 126 29.949 -3.629 1.707 1.00 33.20 C ATOM 1049 CG LEU A 126 30.404 -3.184 0.326 1.00 32.45 C ATOM 1050 CD1 LEU A 126 31.561 -2.220 0.463 1.00 41.47 C ATOM 1051 CD2 LEU A 126 30.780 -4.392 -0.507 1.00 32.34 C ATOM 1052 H LEU A 126 27.312 -4.412 0.093 1.00 0.00 H ATOM 1053 N GLY A 127 27.256 -5.626 3.296 1.00 29.35 N ATOM 1054 CA GLY A 127 26.904 -6.236 4.561 1.00 29.09 C ATOM 1055 C GLY A 127 26.013 -5.398 5.452 1.00 29.72 C ATOM 1056 O GLY A 127 25.534 -5.913 6.469 1.00 25.82 O ATOM 1057 H GLY A 127 26.574 -5.649 2.511 1.00 0.00 H ATOM 1058 N GLN A 128 25.751 -4.142 5.094 1.00 28.56 N ATOM 1059 CA GLN A 128 24.889 -3.296 5.911 1.00 29.22 C ATOM 1060 C GLN A 128 23.435 -3.767 5.851 1.00 28.02 C ATOM 1061 O GLN A 128 23.034 -4.555 4.984 1.00 27.20 O ATOM 1062 CB GLN A 128 24.951 -1.836 5.450 1.00 30.48 C ATOM 1063 CG GLN A 128 26.325 -1.220 5.445 1.00 34.01 C ATOM 1064 CD GLN A 128 26.309 0.169 4.832 1.00 39.71 C ATOM 1065 OE1 GLN A 128 25.863 1.133 5.464 1.00 41.18 O ATOM 1066 NE2 GLN A 128 26.760 0.274 3.585 1.00 36.11 N ATOM 1067 HE22 GLN A 128 27.127 -0.565 3.092 1.00 0.00 H ATOM 1068 HE21 GLN A 128 26.746 1.195 3.103 1.00 0.00 H ATOM 1069 H GLN A 128 26.167 -3.760 4.221 1.00 0.00 H ATOM 1070 N SER A 129 22.634 -3.244 6.784 1.00 27.02 N ATOM 1071 CA SER A 129 21.220 -3.608 6.876 1.00 29.59 C ATOM 1072 C SER A 129 20.493 -3.355 5.560 1.00 32.73 C ATOM 1073 O SER A 129 20.645 -2.296 4.945 1.00 28.17 O ATOM 1074 CB SER A 129 20.547 -2.807 7.997 1.00 30.51 C ATOM 1075 OG SER A 129 19.129 -2.916 7.934 1.00 34.33 O ATOM 1076 HG SER A 129 18.811 -2.568 7.064 1.00 0.00 H ATOM 1077 H SER A 129 23.026 -2.560 7.463 1.00 0.00 H ATOM 1078 N THR A 130 19.687 -4.328 5.135 1.00 34.28 N ATOM 1079 CA THR A 130 18.899 -4.185 3.921 1.00 31.30 C ATOM 1080 C THR A 130 17.441 -3.860 4.220 1.00 31.13 C ATOM 1081 O THR A 130 16.600 -3.929 3.317 1.00 31.18 O ATOM 1082 CB THR A 130 18.988 -5.452 3.056 1.00 29.57 C ATOM 1083 OG1 THR A 130 18.462 -6.575 3.781 1.00 35.15 O ATOM 1084 CG2 THR A 130 20.432 -5.720 2.645 1.00 32.49 C ATOM 1085 HG1 THR A 130 18.522 -7.387 3.218 1.00 0.00 H ATOM 1086 H THR A 130 19.620 -5.209 5.684 1.00 0.00 H ATOM 1087 N GLU A 131 17.124 -3.496 5.464 1.00 28.26 N ATOM 1088 CA GLU A 131 15.732 -3.264 5.838 1.00 32.83 C ATOM 1089 C GLU A 131 15.085 -2.182 4.969 1.00 30.57 C ATOM 1090 O GLU A 131 13.986 -2.372 4.436 1.00 29.91 O ATOM 1091 CB GLU A 131 15.652 -2.898 7.324 1.00 34.21 C ATOM 1092 CG GLU A 131 14.244 -2.924 7.881 1.00 48.59 C ATOM 1093 CD GLU A 131 13.617 -4.310 7.815 1.00 63.23 C ATOM 1094 OE1 GLU A 131 14.125 -5.240 8.490 1.00 64.76 O ATOM 1095 OE2 GLU A 131 12.616 -4.470 7.076 1.00 71.58 O ATOM 1096 H GLU A 131 17.875 -3.377 6.173 1.00 0.00 H ATOM 1097 N GLU A 132 15.757 -1.051 4.788 1.00 30.42 N ATOM 1098 CA GLU A 132 15.124 0.007 4.007 1.00 30.88 C ATOM 1099 C GLU A 132 15.126 -0.296 2.509 1.00 29.44 C ATOM 1100 O GLU A 132 14.212 0.134 1.796 1.00 31.67 O ATOM 1101 CB GLU A 132 15.803 1.346 4.304 1.00 36.34 C ATOM 1102 CG GLU A 132 15.158 2.562 3.630 1.00 54.94 C ATOM 1103 CD GLU A 132 13.667 2.756 3.981 1.00 64.61 C ATOM 1104 OE1 GLU A 132 13.254 2.503 5.146 1.00 56.30 O ATOM 1105 OE2 GLU A 132 12.902 3.173 3.072 1.00 62.08 O ATOM 1106 H GLU A 132 16.707 -0.923 5.191 1.00 0.00 H ATOM 1107 N LEU A 133 16.109 -1.045 2.002 1.00 27.35 N ATOM 1108 CA LEU A 133 16.003 -1.528 0.630 1.00 27.91 C ATOM 1109 C LEU A 133 14.754 -2.376 0.451 1.00 29.37 C ATOM 1110 O LEU A 133 14.061 -2.279 -0.569 1.00 25.57 O ATOM 1111 CB LEU A 133 17.240 -2.346 0.247 1.00 27.64 C ATOM 1112 CG LEU A 133 18.515 -1.606 -0.163 1.00 37.48 C ATOM 1113 CD1 LEU A 133 19.573 -2.621 -0.591 1.00 37.12 C ATOM 1114 CD2 LEU A 133 18.237 -0.629 -1.291 1.00 40.63 C ATOM 1115 H LEU A 133 16.941 -1.281 2.580 1.00 0.00 H ATOM 1116 N ARG A 134 14.466 -3.236 1.420 1.00 24.13 N ATOM 1117 CA ARG A 134 13.328 -4.140 1.283 1.00 22.90 C ATOM 1118 C ARG A 134 12.000 -3.403 1.402 1.00 26.88 C ATOM 1119 O ARG A 134 11.031 -3.767 0.736 1.00 24.30 O ATOM 1120 CB ARG A 134 13.432 -5.261 2.325 1.00 24.95 C ATOM 1121 CG ARG A 134 14.496 -6.298 1.974 1.00 26.99 C ATOM 1122 CD ARG A 134 14.568 -7.433 2.994 1.00 37.87 C ATOM 1123 NE ARG A 134 15.552 -7.176 4.044 1.00 38.72 N ATOM 1124 CZ ARG A 134 15.268 -7.108 5.339 1.00 39.67 C ATOM 1125 NH1 ARG A 134 14.021 -7.285 5.754 1.00 44.09 N ATOM 1126 NH2 ARG A 134 16.237 -6.870 6.220 1.00 36.51 N ATOM 1127 HE ARG A 134 16.542 -7.037 3.757 1.00 0.00 H ATOM 1128 HH12 ARG A 134 13.798 -7.232 6.768 1.00 0.00 H ATOM 1129 HH11 ARG A 134 13.266 -7.477 5.065 1.00 0.00 H ATOM 1130 HH22 ARG A 134 16.016 -6.817 7.235 1.00 0.00 H ATOM 1131 HH21 ARG A 134 17.216 -6.738 5.894 1.00 0.00 H ATOM 1132 H ARG A 134 15.052 -3.266 2.279 1.00 0.00 H ATOM 1133 N VAL A 135 11.921 -2.388 2.267 1.00 25.54 N ATOM 1134 CA VAL A 135 10.710 -1.574 2.338 1.00 29.59 C ATOM 1135 C VAL A 135 10.414 -0.944 0.980 1.00 28.82 C ATOM 1136 O VAL A 135 9.269 -0.937 0.509 1.00 30.07 O ATOM 1137 CB VAL A 135 10.845 -0.497 3.432 1.00 27.69 C ATOM 1138 CG1 VAL A 135 9.742 0.540 3.281 1.00 35.88 C ATOM 1139 CG2 VAL A 135 10.789 -1.135 4.823 1.00 33.30 C ATOM 1140 H VAL A 135 12.725 -2.177 2.892 1.00 0.00 H ATOM 1141 N ARG A 136 11.433 -0.370 0.352 1.00 26.44 N ATOM 1142 CA ARG A 136 11.223 0.285 -0.930 1.00 25.99 C ATOM 1143 C ARG A 136 10.925 -0.731 -2.023 1.00 30.69 C ATOM 1144 O ARG A 136 10.106 -0.473 -2.910 1.00 27.22 O ATOM 1145 CB ARG A 136 12.438 1.126 -1.282 1.00 32.70 C ATOM 1146 CG ARG A 136 12.467 2.406 -0.450 1.00 44.59 C ATOM 1147 CD ARG A 136 13.077 3.590 -1.196 1.00 70.61 C ATOM 1148 NE ARG A 136 13.707 4.542 -0.273 1.00 74.40 N ATOM 1149 CZ ARG A 136 14.772 4.280 0.483 1.00 73.94 C ATOM 1150 NH1 ARG A 136 15.389 3.101 0.411 1.00 62.45 N ATOM 1151 NH2 ARG A 136 15.244 5.225 1.297 1.00 75.54 N ATOM 1152 HE ARG A 136 13.290 5.492 -0.204 1.00 0.00 H ATOM 1153 HH12 ARG A 136 16.219 2.911 1.008 1.00 0.00 H ATOM 1154 HH11 ARG A 136 15.040 2.371 -0.242 1.00 0.00 H ATOM 1155 HH22 ARG A 136 16.075 5.031 1.892 1.00 0.00 H ATOM 1156 HH21 ARG A 136 14.781 6.155 1.337 1.00 0.00 H ATOM 1157 H ARG A 136 12.382 -0.389 0.777 1.00 0.00 H ATOM 1158 N LEU A 137 11.572 -1.895 -1.976 1.00 26.18 N ATOM 1159 CA LEU A 137 11.268 -2.933 -2.957 1.00 25.59 C ATOM 1160 C LEU A 137 9.822 -3.400 -2.829 1.00 23.15 C ATOM 1161 O LEU A 137 9.125 -3.568 -3.833 1.00 28.11 O ATOM 1162 CB LEU A 137 12.230 -4.109 -2.797 1.00 25.57 C ATOM 1163 CG LEU A 137 11.924 -5.313 -3.699 1.00 24.72 C ATOM 1164 CD1 LEU A 137 12.097 -4.934 -5.191 1.00 27.34 C ATOM 1165 CD2 LEU A 137 12.771 -6.538 -3.327 1.00 25.84 C ATOM 1166 H LEU A 137 12.291 -2.064 -1.243 1.00 0.00 H ATOM 1167 N ALA A 138 9.360 -3.644 -1.596 1.00 25.76 N ATOM 1168 CA ALA A 138 7.976 -4.070 -1.404 1.00 28.82 C ATOM 1169 C ALA A 138 7.004 -3.070 -2.004 1.00 26.91 C ATOM 1170 O ALA A 138 6.024 -3.455 -2.645 1.00 27.60 O ATOM 1171 CB ALA A 138 7.678 -4.236 0.084 1.00 31.31 C ATOM 1172 H ALA A 138 9.987 -3.530 -0.774 1.00 0.00 H ATOM 1173 N SER A 139 7.257 -1.780 -1.785 1.00 26.61 N ATOM 1174 CA SER A 139 6.373 -0.731 -2.281 1.00 30.18 C ATOM 1175 C SER A 139 6.334 -0.720 -3.803 1.00 30.07 C ATOM 1176 O SER A 139 5.265 -0.569 -4.413 1.00 29.23 O ATOM 1177 CB SER A 139 6.862 0.621 -1.740 1.00 33.84 C ATOM 1178 OG SER A 139 6.155 1.701 -2.311 1.00 47.46 O ATOM 1179 HG SER A 139 6.498 2.552 -1.939 1.00 0.00 H ATOM 1180 H SER A 139 8.106 -1.514 -1.247 1.00 0.00 H ATOM 1181 N HIS A 140 7.500 -0.860 -4.431 1.00 25.87 N ATOM 1182 CA HIS A 140 7.590 -0.795 -5.883 1.00 28.74 C ATOM 1183 C HIS A 140 7.010 -2.051 -6.511 1.00 28.86 C ATOM 1184 O HIS A 140 6.328 -1.982 -7.539 1.00 25.14 O ATOM 1185 CB HIS A 140 9.054 -0.597 -6.280 1.00 27.23 C ATOM 1186 CG HIS A 140 9.262 -0.182 -7.703 1.00 29.95 C ATOM 1187 ND1 HIS A 140 10.508 0.123 -8.204 1.00 35.02 N ATOM 1188 CD2 HIS A 140 8.393 -0.016 -8.730 1.00 33.56 C ATOM 1189 CE1 HIS A 140 10.401 0.456 -9.481 1.00 40.14 C ATOM 1190 NE2 HIS A 140 9.128 0.370 -9.827 1.00 31.37 N ATOM 1191 H HIS A 140 8.363 -1.019 -3.873 1.00 0.00 H ATOM 1192 N LEU A 141 7.269 -3.208 -5.893 1.00 26.34 N ATOM 1193 CA LEU A 141 6.707 -4.461 -6.375 1.00 24.81 C ATOM 1194 C LEU A 141 5.189 -4.410 -6.396 1.00 26.97 C ATOM 1195 O LEU A 141 4.562 -4.924 -7.330 1.00 27.85 O ATOM 1196 CB LEU A 141 7.189 -5.602 -5.484 1.00 27.30 C ATOM 1197 CG LEU A 141 7.573 -6.963 -6.036 1.00 43.90 C ATOM 1198 CD1 LEU A 141 8.306 -6.878 -7.373 1.00 31.48 C ATOM 1199 CD2 LEU A 141 8.430 -7.632 -4.965 1.00 32.83 C ATOM 1200 H LEU A 141 7.883 -3.213 -5.053 1.00 0.00 H ATOM 1201 N ARG A 142 4.577 -3.809 -5.372 1.00 26.77 N ATOM 1202 CA ARG A 142 3.125 -3.668 -5.354 1.00 26.95 C ATOM 1203 C ARG A 142 2.625 -2.926 -6.589 1.00 28.32 C ATOM 1204 O ARG A 142 1.642 -3.338 -7.217 1.00 27.84 O ATOM 1205 CB ARG A 142 2.683 -2.946 -4.081 1.00 28.21 C ATOM 1206 CG ARG A 142 2.003 -3.842 -3.056 1.00 36.28 C ATOM 1207 CD ARG A 142 1.595 -3.061 -1.793 1.00 36.56 C ATOM 1208 NE ARG A 142 2.672 -3.019 -0.805 1.00 41.40 N ATOM 1209 CZ ARG A 142 3.236 -1.903 -0.355 1.00 36.84 C ATOM 1210 NH1 ARG A 142 4.214 -1.968 0.541 1.00 32.27 N ATOM 1211 NH2 ARG A 142 2.819 -0.724 -0.795 1.00 34.50 N ATOM 1212 HE ARG A 142 3.020 -3.924 -0.429 1.00 0.00 H ATOM 1213 HH12 ARG A 142 4.655 -1.095 0.893 1.00 0.00 H ATOM 1214 HH11 ARG A 142 4.538 -2.892 0.890 1.00 0.00 H ATOM 1215 HH22 ARG A 142 3.261 0.149 -0.442 1.00 0.00 H ATOM 1216 HH21 ARG A 142 2.050 -0.672 -1.493 1.00 0.00 H ATOM 1217 H ARG A 142 5.141 -3.438 -4.580 1.00 0.00 H ATOM 1218 N LYS A 143 3.286 -1.821 -6.950 1.00 24.36 N ATOM 1219 CA LYS A 143 2.865 -1.048 -8.122 1.00 25.59 C ATOM 1220 C LYS A 143 3.074 -1.819 -9.418 1.00 25.82 C ATOM 1221 O LYS A 143 2.228 -1.771 -10.320 1.00 28.35 O ATOM 1222 CB LYS A 143 3.625 0.272 -8.168 1.00 32.01 C ATOM 1223 CG LYS A 143 3.136 1.242 -7.108 1.00 32.26 C ATOM 1224 CD LYS A 143 3.898 2.539 -7.112 1.00 31.80 C ATOM 1225 CE LYS A 143 3.291 3.472 -6.055 1.00 34.04 C ATOM 1226 NZ LYS A 143 4.054 4.735 -5.895 1.00 36.64 N ATOM 1227 HZ1 LYS A 143 5.028 4.516 -5.604 1.00 0.00 H ATOM 1228 HZ2 LYS A 143 4.068 5.247 -6.800 1.00 0.00 H ATOM 1229 HZ3 LYS A 143 3.598 5.324 -5.169 1.00 0.00 H ATOM 1230 H LYS A 143 4.107 -1.507 -6.394 1.00 0.00 H ATOM 1231 N LEU A 144 4.203 -2.523 -9.541 1.00 24.86 N ATOM 1232 CA LEU A 144 4.432 -3.324 -10.738 1.00 26.80 C ATOM 1233 C LEU A 144 3.386 -4.421 -10.856 1.00 28.79 C ATOM 1234 O LEU A 144 2.946 -4.763 -11.957 1.00 25.23 O ATOM 1235 CB LEU A 144 5.844 -3.920 -10.707 1.00 23.79 C ATOM 1236 CG LEU A 144 6.983 -2.895 -10.781 1.00 25.51 C ATOM 1237 CD1 LEU A 144 8.331 -3.577 -10.532 1.00 26.82 C ATOM 1238 CD2 LEU A 144 7.005 -2.154 -12.122 1.00 32.74 C ATOM 1239 H LEU A 144 4.917 -2.500 -8.785 1.00 0.00 H ATOM 1240 N ARG A 145 2.967 -4.974 -9.725 1.00 24.91 N ATOM 1241 CA ARG A 145 1.982 -6.050 -9.748 1.00 23.08 C ATOM 1242 C ARG A 145 0.587 -5.527 -10.073 1.00 28.73 C ATOM 1243 O ARG A 145 -0.196 -6.208 -10.747 1.00 28.60 O ATOM 1244 CB ARG A 145 2.023 -6.791 -8.408 1.00 22.12 C ATOM 1245 CG ARG A 145 3.299 -7.646 -8.286 1.00 26.04 C ATOM 1246 CD ARG A 145 3.525 -8.230 -6.880 1.00 29.28 C ATOM 1247 NE ARG A 145 2.468 -9.178 -6.545 1.00 26.36 N ATOM 1248 CZ ARG A 145 1.628 -9.037 -5.527 1.00 30.39 C ATOM 1249 NH1 ARG A 145 1.736 -7.994 -4.709 1.00 26.75 N ATOM 1250 NH2 ARG A 145 0.685 -9.957 -5.328 1.00 29.72 N ATOM 1251 HE ARG A 145 2.366 -10.022 -7.145 1.00 0.00 H ATOM 1252 HH12 ARG A 145 1.076 -7.887 -3.913 1.00 0.00 H ATOM 1253 HH11 ARG A 145 2.481 -7.285 -4.866 1.00 0.00 H ATOM 1254 HH22 ARG A 145 0.021 -9.858 -4.534 1.00 0.00 H ATOM 1255 HH21 ARG A 145 0.613 -10.774 -5.967 1.00 0.00 H ATOM 1256 H ARG A 145 3.343 -4.638 -8.816 1.00 0.00 H ATOM 1257 N LYS A 146 0.249 -4.329 -9.592 1.00 28.05 N ATOM 1258 CA LYS A 146 -1.016 -3.716 -9.986 1.00 26.84 C ATOM 1259 C LYS A 146 -1.074 -3.515 -11.490 1.00 29.66 C ATOM 1260 O LYS A 146 -2.116 -3.737 -12.114 1.00 28.88 O ATOM 1261 CB LYS A 146 -1.193 -2.374 -9.287 1.00 29.63 C ATOM 1262 CG LYS A 146 -1.402 -2.499 -7.790 1.00 42.89 C ATOM 1263 CD LYS A 146 -2.195 -1.322 -7.243 1.00 45.29 C ATOM 1264 CE LYS A 146 -2.308 -1.438 -5.725 1.00 54.56 C ATOM 1265 NZ LYS A 146 -3.319 -2.455 -5.331 1.00 58.31 N ATOM 1266 HZ1 LYS A 146 -4.248 -2.184 -5.711 1.00 0.00 H ATOM 1267 HZ2 LYS A 146 -3.044 -3.382 -5.713 1.00 0.00 H ATOM 1268 HZ3 LYS A 146 -3.370 -2.508 -4.294 1.00 0.00 H ATOM 1269 H LYS A 146 0.886 -3.832 -8.937 1.00 0.00 H ATOM 1270 N ARG A 147 0.041 -3.083 -12.087 1.00 27.88 N ATOM 1271 CA ARG A 147 0.089 -2.877 -13.534 1.00 27.34 C ATOM 1272 C ARG A 147 -0.063 -4.194 -14.284 1.00 31.03 C ATOM 1273 O ARG A 147 -0.826 -4.280 -15.258 1.00 27.94 O ATOM 1274 CB ARG A 147 1.402 -2.185 -13.915 1.00 27.87 C ATOM 1275 CG ARG A 147 1.731 -2.260 -15.392 1.00 31.99 C ATOM 1276 CD ARG A 147 2.486 -1.042 -15.877 1.00 34.70 C ATOM 1277 NE ARG A 147 3.788 -0.836 -15.251 1.00 30.38 N ATOM 1278 CZ ARG A 147 4.920 -1.410 -15.645 1.00 33.30 C ATOM 1279 NH1 ARG A 147 4.926 -2.271 -16.656 1.00 33.92 N ATOM 1280 NH2 ARG A 147 6.057 -1.106 -15.036 1.00 34.11 N ATOM 1281 HE ARG A 147 3.833 -0.192 -14.436 1.00 0.00 H ATOM 1282 HH12 ARG A 147 5.818 -2.714 -16.956 1.00 0.00 H ATOM 1283 HH11 ARG A 147 4.039 -2.502 -17.148 1.00 0.00 H ATOM 1284 HH22 ARG A 147 6.946 -1.552 -15.341 1.00 0.00 H ATOM 1285 HH21 ARG A 147 6.061 -0.421 -14.253 1.00 0.00 H ATOM 1286 H ARG A 147 0.887 -2.890 -11.514 1.00 0.00 H ATOM 1287 N LEU A 148 0.646 -5.237 -13.834 1.00 28.06 N ATOM 1288 CA LEU A 148 0.549 -6.538 -14.487 1.00 26.03 C ATOM 1289 C LEU A 148 -0.869 -7.080 -14.400 1.00 25.19 C ATOM 1290 O LEU A 148 -1.389 -7.633 -15.375 1.00 28.38 O ATOM 1291 CB LEU A 148 1.550 -7.515 -13.854 1.00 27.76 C ATOM 1292 CG LEU A 148 1.545 -8.999 -14.240 1.00 30.91 C ATOM 1293 CD1 LEU A 148 1.936 -9.188 -15.674 1.00 36.54 C ATOM 1294 CD2 LEU A 148 2.526 -9.756 -13.358 1.00 38.87 C ATOM 1295 H LEU A 148 1.271 -5.119 -13.012 1.00 0.00 H ATOM 1296 N LEU A 149 -1.522 -6.910 -13.248 1.00 28.03 N ATOM 1297 CA LEU A 149 -2.893 -7.391 -13.101 1.00 27.74 C ATOM 1298 C LEU A 149 -3.842 -6.672 -14.055 1.00 29.25 C ATOM 1299 O LEU A 149 -4.675 -7.309 -14.705 1.00 30.18 O ATOM 1300 CB LEU A 149 -3.364 -7.236 -11.652 1.00 27.75 C ATOM 1301 CG LEU A 149 -4.779 -7.770 -11.375 1.00 38.23 C ATOM 1302 CD1 LEU A 149 -4.900 -9.224 -11.816 1.00 43.66 C ATOM 1303 CD2 LEU A 149 -5.133 -7.650 -9.920 1.00 33.38 C ATOM 1304 H LEU A 149 -1.052 -6.433 -12.452 1.00 0.00 H ATOM 1305 N ARG A 150 -3.765 -5.340 -14.144 1.00 27.60 N ATOM 1306 CA ARG A 150 -4.693 -4.645 -15.035 1.00 31.29 C ATOM 1307 C ARG A 150 -4.418 -4.987 -16.498 1.00 29.43 C ATOM 1308 O ARG A 150 -5.358 -5.088 -17.301 1.00 29.41 O ATOM 1309 CB ARG A 150 -4.655 -3.128 -14.787 1.00 33.04 C ATOM 1310 CG ARG A 150 -3.400 -2.389 -15.216 1.00 34.68 C ATOM 1311 CD ARG A 150 -3.491 -0.865 -14.915 1.00 36.68 C ATOM 1312 NE ARG A 150 -2.635 -0.070 -15.803 1.00 33.94 N ATOM 1313 CZ ARG A 150 -1.479 0.487 -15.447 1.00 32.35 C ATOM 1314 NH1 ARG A 150 -1.011 0.355 -14.208 1.00 34.30 N ATOM 1315 NH2 ARG A 150 -0.780 1.175 -16.333 1.00 27.33 N ATOM 1316 HE ARG A 150 -2.955 0.069 -16.783 1.00 0.00 H ATOM 1317 HH12 ARG A 150 -0.107 0.796 -13.944 1.00 0.00 H ATOM 1318 HH11 ARG A 150 -1.550 -0.189 -13.504 1.00 0.00 H ATOM 1319 HH22 ARG A 150 0.123 1.611 -16.058 1.00 0.00 H ATOM 1320 HH21 ARG A 150 -1.133 1.280 -17.306 1.00 0.00 H ATOM 1321 H ARG A 150 -3.061 -4.810 -13.592 1.00 0.00 H ATOM 1322 N ASP A 151 -3.153 -5.213 -16.863 1.00 25.62 N ATOM 1323 CA ASP A 151 -2.867 -5.640 -18.229 1.00 26.95 C ATOM 1324 C ASP A 151 -3.356 -7.064 -18.495 1.00 28.71 C ATOM 1325 O ASP A 151 -3.714 -7.390 -19.633 1.00 27.01 O ATOM 1326 CB ASP A 151 -1.369 -5.549 -18.515 1.00 27.60 C ATOM 1327 CG ASP A 151 -0.898 -4.115 -18.717 1.00 32.17 C ATOM 1328 OD1 ASP A 151 -1.728 -3.216 -18.940 1.00 31.97 O ATOM 1329 OD2 ASP A 151 0.313 -3.878 -18.635 1.00 30.92 O ATOM 1330 H ASP A 151 -2.379 -5.086 -16.180 1.00 0.00 H ATOM 1331 N ALA A 152 -3.309 -7.950 -17.494 1.00 26.50 N ATOM 1332 CA ALA A 152 -3.814 -9.304 -17.715 1.00 30.46 C ATOM 1333 C ALA A 152 -5.327 -9.298 -17.866 1.00 31.36 C ATOM 1334 O ALA A 152 -5.874 -10.030 -18.696 1.00 30.42 O ATOM 1335 CB ALA A 152 -3.398 -10.240 -16.572 1.00 28.16 C ATOM 1336 H ALA A 152 -2.918 -7.679 -16.569 1.00 0.00 H ATOM 1337 N ASP A 153 -6.022 -8.479 -17.077 1.00 26.54 N ATOM 1338 CA ASP A 153 -7.474 -8.405 -17.211 1.00 31.24 C ATOM 1339 C ASP A 153 -7.872 -7.834 -18.567 1.00 30.75 C ATOM 1340 O ASP A 153 -8.820 -8.311 -19.197 1.00 31.26 O ATOM 1341 CB ASP A 153 -8.065 -7.571 -16.074 1.00 32.90 C ATOM 1342 CG ASP A 153 -7.980 -8.287 -14.717 1.00 51.69 C ATOM 1343 OD1 ASP A 153 -7.716 -9.512 -14.704 1.00 50.95 O ATOM 1344 OD2 ASP A 153 -8.177 -7.632 -13.664 1.00 53.26 O ATOM 1345 H ASP A 153 -5.532 -7.895 -16.369 1.00 0.00 H ATOM 1346 N ASP A 154 -7.144 -6.827 -19.046 1.00 29.23 N ATOM 1347 CA ASP A 154 -7.437 -6.276 -20.367 1.00 31.25 C ATOM 1348 C ASP A 154 -7.186 -7.296 -21.474 1.00 34.19 C ATOM 1349 O ASP A 154 -7.930 -7.353 -22.459 1.00 32.49 O ATOM 1350 CB ASP A 154 -6.595 -5.031 -20.615 1.00 33.07 C ATOM 1351 CG ASP A 154 -6.826 -4.448 -22.003 1.00 40.49 C ATOM 1352 OD1 ASP A 154 -7.891 -3.835 -22.217 1.00 45.83 O ATOM 1353 OD2 ASP A 154 -5.945 -4.604 -22.873 1.00 43.39 O ATOM 1354 H ASP A 154 -6.366 -6.433 -18.479 1.00 0.00 H ATOM 1355 N LEU A 155 -6.127 -8.086 -21.348 1.00 29.30 N ATOM 1356 CA LEU A 155 -5.843 -9.096 -22.354 1.00 26.81 C ATOM 1357 C LEU A 155 -6.907 -10.189 -22.354 1.00 26.89 C ATOM 1358 O LEU A 155 -7.301 -10.674 -23.420 1.00 31.56 O ATOM 1359 CB LEU A 155 -4.461 -9.681 -22.095 1.00 27.59 C ATOM 1360 CG LEU A 155 -4.041 -10.896 -22.915 1.00 30.64 C ATOM 1361 CD1 LEU A 155 -3.837 -10.559 -24.402 1.00 27.63 C ATOM 1362 CD2 LEU A 155 -2.766 -11.432 -22.293 1.00 30.54 C ATOM 1363 H LEU A 155 -5.498 -7.982 -20.526 1.00 0.00 H ATOM 1364 N GLN A 156 -7.374 -10.594 -21.169 1.00 28.17 N ATOM 1365 CA GLN A 156 -8.430 -11.598 -21.086 1.00 31.56 C ATOM 1366 C GLN A 156 -9.709 -11.113 -21.754 1.00 33.58 C ATOM 1367 O GLN A 156 -10.350 -11.863 -22.503 1.00 32.01 O ATOM 1368 CB GLN A 156 -8.697 -11.958 -19.630 1.00 33.30 C ATOM 1369 CG GLN A 156 -9.757 -13.035 -19.427 1.00 37.39 C ATOM 1370 CD GLN A 156 -10.047 -13.255 -17.964 1.00 41.82 C ATOM 1371 OE1 GLN A 156 -10.235 -12.297 -17.206 1.00 44.73 O ATOM 1372 NE2 GLN A 156 -10.075 -14.520 -17.544 1.00 44.80 N ATOM 1373 HE22 GLN A 156 -9.911 -15.295 -18.218 1.00 0.00 H ATOM 1374 HE21 GLN A 156 -10.261 -14.732 -16.543 1.00 0.00 H ATOM 1375 H GLN A 156 -6.980 -10.189 -20.296 1.00 0.00 H ATOM 1376 N LYS A 157 -10.087 -9.860 -21.500 1.00 33.12 N ATOM 1377 CA LYS A 157 -11.270 -9.284 -22.130 1.00 34.36 C ATOM 1378 C LYS A 157 -11.134 -9.241 -23.646 1.00 32.48 C ATOM 1379 O LYS A 157 -12.096 -9.520 -24.372 1.00 36.59 O ATOM 1380 CB LYS A 157 -11.520 -7.884 -21.571 1.00 33.49 C ATOM 1381 CG LYS A 157 -12.121 -7.915 -20.167 1.00 50.43 C ATOM 1382 CD LYS A 157 -12.450 -6.512 -19.643 1.00 63.43 C ATOM 1383 CE LYS A 157 -13.258 -6.567 -18.343 1.00 60.81 C ATOM 1384 NZ LYS A 157 -14.637 -7.130 -18.538 1.00 70.28 N ATOM 1385 HZ1 LYS A 157 -15.160 -6.537 -19.213 1.00 0.00 H ATOM 1386 HZ2 LYS A 157 -14.565 -8.099 -18.909 1.00 0.00 H ATOM 1387 HZ3 LYS A 157 -15.137 -7.143 -17.626 1.00 0.00 H ATOM 1388 H LYS A 157 -9.528 -9.282 -20.840 1.00 0.00 H ATOM 1389 N ARG A 158 -9.953 -8.880 -24.147 1.00 31.57 N ATOM 1390 CA ARG A 158 -9.766 -8.829 -25.589 1.00 31.59 C ATOM 1391 C ARG A 158 -9.849 -10.216 -26.204 1.00 36.81 C ATOM 1392 O ARG A 158 -10.411 -10.381 -27.288 1.00 35.28 O ATOM 1393 CB ARG A 158 -8.425 -8.186 -25.940 1.00 30.50 C ATOM 1394 CG ARG A 158 -8.408 -6.687 -25.752 1.00 37.46 C ATOM 1395 CD ARG A 158 -7.070 -6.108 -26.177 1.00 35.21 C ATOM 1396 NE ARG A 158 -6.838 -4.823 -25.532 1.00 41.33 N ATOM 1397 CZ ARG A 158 -7.168 -3.646 -26.050 1.00 42.64 C ATOM 1398 NH1 ARG A 158 -6.915 -2.537 -25.371 1.00 51.73 N ATOM 1399 NH2 ARG A 158 -7.727 -3.574 -27.248 1.00 39.12 N ATOM 1400 HE ARG A 158 -6.381 -4.828 -24.598 1.00 0.00 H ATOM 1401 HH12 ARG A 158 -7.171 -1.612 -25.772 1.00 0.00 H ATOM 1402 HH11 ARG A 158 -6.460 -2.591 -24.437 1.00 0.00 H ATOM 1403 HH22 ARG A 158 -7.983 -2.649 -27.648 1.00 0.00 H ATOM 1404 HH21 ARG A 158 -7.910 -4.443 -27.789 1.00 0.00 H ATOM 1405 H ARG A 158 -9.168 -8.636 -23.510 1.00 0.00 H ATOM 1406 N LEU A 159 -9.270 -11.221 -25.546 1.00 37.28 N ATOM 1407 CA LEU A 159 -9.367 -12.576 -26.077 1.00 36.51 C ATOM 1408 C LEU A 159 -10.815 -13.055 -26.083 1.00 38.63 C ATOM 1409 O LEU A 159 -11.215 -13.816 -26.976 1.00 38.97 O ATOM 1410 CB LEU A 159 -8.481 -13.519 -25.257 1.00 32.56 C ATOM 1411 CG LEU A 159 -6.962 -13.345 -25.383 1.00 36.56 C ATOM 1412 CD1 LEU A 159 -6.263 -13.912 -24.163 1.00 29.92 C ATOM 1413 CD2 LEU A 159 -6.435 -14.017 -26.650 1.00 31.78 C ATOM 1414 H LEU A 159 -8.754 -11.040 -24.662 1.00 0.00 H ATOM 1415 N ALA A 160 -11.619 -12.594 -25.121 1.00 36.72 N ATOM 1416 CA ALA A 160 -12.970 -13.121 -24.956 1.00 41.16 C ATOM 1417 C ALA A 160 -13.891 -12.674 -26.081 1.00 36.42 C ATOM 1418 O ALA A 160 -14.889 -13.344 -26.370 1.00 42.03 O ATOM 1419 CB ALA A 160 -13.549 -12.688 -23.612 1.00 35.75 C ATOM 1420 H ALA A 160 -11.277 -11.849 -24.481 1.00 0.00 H ATOM 1421 N VAL A 161 -13.595 -11.540 -26.709 1.00 39.10 N ATOM 1422 CA VAL A 161 -14.415 -11.040 -27.801 1.00 42.38 C ATOM 1423 C VAL A 161 -13.725 -11.170 -29.134 1.00 39.02 C ATOM 1424 O VAL A 161 -14.289 -10.756 -30.151 1.00 41.21 O ATOM 1425 CB VAL A 161 -14.847 -9.581 -27.557 1.00 42.63 C ATOM 1426 CG1 VAL A 161 -15.786 -9.510 -26.356 1.00 49.36 C ATOM 1427 CG2 VAL A 161 -13.640 -8.673 -27.350 1.00 39.99 C ATOM 1428 H VAL A 161 -12.758 -10.998 -26.413 1.00 0.00 H ATOM 1429 N TYR A 162 -12.525 -11.747 -29.169 1.00 36.69 N ATOM 1430 CA TYR A 162 -11.723 -11.723 -30.387 1.00 36.02 C ATOM 1431 C TYR A 162 -12.408 -12.485 -31.519 1.00 43.51 C ATOM 1432 O TYR A 162 -12.487 -11.997 -32.657 1.00 40.22 O ATOM 1433 CB TYR A 162 -10.335 -12.297 -30.096 1.00 37.23 C ATOM 1434 CG TYR A 162 -9.388 -12.359 -31.277 1.00 34.44 C ATOM 1435 CD1 TYR A 162 -9.069 -11.226 -32.006 1.00 37.94 C ATOM 1436 CD2 TYR A 162 -8.774 -13.553 -31.630 1.00 36.77 C ATOM 1437 CE1 TYR A 162 -8.187 -11.281 -33.074 1.00 34.85 C ATOM 1438 CE2 TYR A 162 -7.894 -13.619 -32.684 1.00 35.17 C ATOM 1439 CZ TYR A 162 -7.604 -12.482 -33.405 1.00 41.52 C ATOM 1440 OH TYR A 162 -6.718 -12.561 -34.457 1.00 40.80 O ATOM 1441 HH TYR A 162 -5.839 -12.873 -34.124 1.00 0.00 H ATOM 1442 H TYR A 162 -12.156 -12.219 -28.319 1.00 0.00 H ATOM 1443 N GLN A 163 -12.931 -13.678 -31.219 1.00 37.69 N ATOM 1444 CA GLN A 163 -13.437 -14.548 -32.281 1.00 41.91 C ATOM 1445 C GLN A 163 -14.616 -13.918 -33.020 1.00 46.09 C ATOM 1446 O GLN A 163 -14.710 -14.019 -34.250 1.00 45.72 O ATOM 1447 CB GLN A 163 -13.827 -15.900 -31.699 1.00 42.26 C ATOM 1448 CG GLN A 163 -12.631 -16.769 -31.351 1.00 39.88 C ATOM 1449 CD GLN A 163 -13.019 -17.951 -30.487 1.00 47.81 C ATOM 1450 OE1 GLN A 163 -12.867 -19.104 -30.892 1.00 52.39 O ATOM 1451 NE2 GLN A 163 -13.520 -17.670 -29.285 1.00 45.66 N ATOM 1452 HE22 GLN A 163 -13.630 -16.680 -28.986 1.00 0.00 H ATOM 1453 HE21 GLN A 163 -13.801 -18.441 -28.646 1.00 0.00 H ATOM 1454 H GLN A 163 -12.978 -13.989 -30.228 1.00 0.00 H ATOM 1455 N ALA A 164 -15.512 -13.253 -32.290 1.00 47.13 N ATOM 1456 CA ALA A 164 -16.646 -12.537 -32.882 1.00 45.96 C ATOM 1457 C ALA A 164 -16.214 -11.422 -33.847 1.00 49.42 C ATOM 1458 O ALA A 164 -15.254 -10.681 -33.585 1.00 51.27 O ATOM 1459 CB ALA A 164 -17.524 -11.960 -31.783 1.00 42.20 C ATOM 1460 H ALA A 164 -15.402 -13.242 -31.256 1.00 0.00 H TER 1461 ALA A 164 HETATM 1462 O HOH 1 14.651 -7.891 -17.520 1.00 52.13 O HETATM 1463 O HOH 2 11.359 2.566 6.323 1.00 60.54 O HETATM 1464 O HOH 3 14.547 -13.072 8.277 1.00 45.89 O HETATM 1465 O HOH 4 14.886 -1.724 -12.074 1.00 47.22 O HETATM 1466 O HOH 5 3.149 -9.372 -29.531 1.00 51.79 O HETATM 1467 O HOH 6 -2.995 -7.039 -37.867 1.00 49.44 O HETATM 1468 O HOH 7 -3.200 -4.334 -22.587 1.00 43.71 O HETATM 1469 O HOH 8 -11.552 -11.083 -42.255 1.00 59.02 O HETATM 1470 O HOH 9 0.990 -0.998 -25.676 1.00 55.84 O HETATM 1471 O HOH 10 -2.212 -22.423 -24.771 1.00 32.33 O HETATM 1472 O HOH 11 16.708 -2.298 -4.687 1.00 35.74 O HETATM 1473 O HOH 12 0.569 -14.283 -30.986 1.00 46.60 O HETATM 1474 O HOH 13 -6.402 -0.193 -32.907 1.00 41.46 O HETATM 1475 O HOH 14 -10.898 -16.345 -24.862 1.00 41.39 O HETATM 1476 O HOH 15 -3.301 -17.119 -8.905 1.00 36.90 O HETATM 1477 O HOH 16 18.734 -19.726 -3.905 1.00 45.13 O HETATM 1478 O HOH 17 -7.655 -17.985 -39.261 1.00 51.81 O HETATM 1479 O HOH 18 29.449 -6.810 -2.472 1.00 49.02 O HETATM 1480 O HOH 19 -10.477 -8.801 -29.319 1.00 36.88 O HETATM 1481 O HOH 20 9.573 -22.232 -19.209 1.00 43.85 O HETATM 1482 O HOH 21 -2.320 -16.080 -5.211 1.00 39.52 O HETATM 1483 O HOH 22 -3.704 -2.436 -20.451 1.00 42.79 O HETATM 1484 O HOH 23 -1.761 -16.338 -34.125 1.00 46.99 O HETATM 1485 O HOH 24 -8.858 -5.287 -28.918 1.00 44.07 O HETATM 1486 O HOH 25 1.509 0.678 -11.632 1.00 32.69 O HETATM 1487 O HOH 26 -1.899 -21.059 -9.136 1.00 46.77 O HETATM 1488 O HOH 27 6.594 -17.652 -26.815 1.00 47.23 O HETATM 1489 O HOH 28 -9.728 -3.331 -20.393 1.00 49.13 O HETATM 1490 O HOH 29 23.676 -11.372 -4.682 1.00 39.90 O HETATM 1491 O HOH 30 -6.581 -23.129 -23.105 1.00 37.52 O HETATM 1492 O HOH 31 3.735 -20.155 -15.705 1.00 29.28 O HETATM 1493 O HOH 32 25.423 -6.416 1.546 1.00 37.27 O HETATM 1494 O HOH 33 17.691 -10.062 0.909 1.00 35.99 O HETATM 1495 O HOH 34 -4.489 -29.105 -22.137 1.00 37.90 O HETATM 1496 O HOH 35 -13.365 -2.026 -37.743 1.00 56.71 O HETATM 1497 O HOH 36 3.051 0.515 -3.161 1.00 34.63 O HETATM 1498 O HOH 37 3.617 -20.918 -8.838 1.00 32.09 O HETATM 1499 O HOH 38 5.742 -7.022 1.650 1.00 47.03 O HETATM 1500 O HOH 39 -13.063 -15.072 -28.747 1.00 40.92 O HETATM 1501 O HOH 40 -8.639 -25.261 -29.745 1.00 37.34 O HETATM 1502 O HOH 41 7.048 -1.681 -19.533 1.00 42.38 O HETATM 1503 O HOH 42 -8.500 -16.152 -21.665 1.00 37.02 O HETATM 1504 O HOH 43 11.737 -2.744 -13.605 1.00 39.98 O HETATM 1505 O HOH 44 -4.088 -3.377 -27.409 1.00 36.06 O HETATM 1506 O HOH 45 14.998 -1.282 -2.939 1.00 32.09 O HETATM 1507 O HOH 46 17.226 -11.269 -7.367 1.00 31.46 O HETATM 1508 O HOH 47 1.659 -17.532 -3.190 1.00 27.96 O HETATM 1509 O HOH 48 3.573 -21.101 -28.501 1.00 35.53 O HETATM 1510 O HOH 49 -11.623 -20.618 -25.498 1.00 44.83 O HETATM 1511 O HOH 50 29.708 -0.841 -2.986 1.00 45.03 O HETATM 1512 O HOH 51 26.384 -4.494 -7.081 1.00 42.22 O HETATM 1513 O HOH 52 -4.508 -3.575 -10.719 1.00 37.97 O HETATM 1514 O HOH 53 -7.704 -3.720 -16.732 1.00 42.33 O HETATM 1515 O HOH 54 1.452 -11.580 -7.720 1.00 27.54 O HETATM 1516 O HOH 55 24.794 3.104 3.800 1.00 51.15 O HETATM 1517 O HOH 56 17.839 -4.806 -13.634 1.00 46.71 O HETATM 1518 O HOH 57 -0.225 -16.782 -32.146 1.00 38.32 O HETATM 1519 O HOH 58 -2.190 -6.340 -21.732 1.00 34.83 O HETATM 1520 O HOH 59 23.546 -6.739 3.308 1.00 34.52 O HETATM 1521 O HOH 60 -4.507 -21.204 -23.186 1.00 32.69 O HETATM 1522 O HOH 61 15.285 -23.699 -9.660 1.00 56.19 O HETATM 1523 O HOH 62 9.116 -14.610 -22.611 1.00 51.92 O HETATM 1524 O HOH 63 -10.630 -14.669 -22.435 1.00 37.98 O HETATM 1525 O HOH 64 11.420 -21.374 -4.850 1.00 36.98 O HETATM 1526 O HOH 65 -6.581 -2.688 -40.284 1.00 48.51 O HETATM 1527 O HOH 66 -11.993 -25.116 -37.002 1.00 41.92 O HETATM 1528 O HOH 67 18.052 -0.497 6.948 1.00 41.13 O HETATM 1529 O HOH 68 6.793 -0.931 1.881 1.00 34.14 O HETATM 1530 O HOH 69 18.776 -0.819 3.410 1.00 30.05 O HETATM 1531 O HOH 70 23.526 -1.374 8.724 1.00 37.08 O HETATM 1532 O HOH 71 23.234 0.013 -2.613 1.00 37.44 O HETATM 1533 O HOH 72 -0.783 -24.267 -18.494 1.00 39.34 O HETATM 1534 O HOH 73 -12.307 -12.981 -39.597 1.00 50.07 O HETATM 1535 O HOH 74 14.777 -20.013 -16.340 1.00 44.92 O HETATM 1536 O HOH 75 16.744 -14.048 -7.807 1.00 29.50 O HETATM 1537 O HOH 76 25.040 0.869 8.238 1.00 40.56 O HETATM 1538 O HOH 77 -8.257 -7.554 -29.847 1.00 37.98 O HETATM 1539 O HOH 78 -15.644 -13.923 -29.457 1.00 42.36 O HETATM 1540 O HOH 79 22.366 -7.053 -10.110 1.00 42.86 O HETATM 1541 O HOH 80 2.380 -3.020 -26.489 1.00 39.01 O HETATM 1542 O HOH 81 19.553 -9.179 2.933 1.00 34.39 O HETATM 1543 O HOH 82 10.060 -14.491 7.407 1.00 41.34 O HETATM 1544 O HOH 83 -2.652 -21.566 -11.681 1.00 38.02 O HETATM 1545 O HOH 84 6.958 -8.164 -24.901 1.00 45.03 O HETATM 1546 O HOH 85 4.788 -4.909 -14.478 1.00 36.10 O HETATM 1547 O HOH 86 28.361 0.571 0.914 1.00 49.58 O HETATM 1548 O HOH 87 8.116 -18.005 -24.435 1.00 35.81 O HETATM 1549 O HOH 88 -3.443 -18.750 -37.256 1.00 55.65 O HETATM 1550 O HOH 89 10.429 -18.063 4.851 1.00 42.64 O HETATM 1551 O HOH 90 13.028 0.522 7.425 1.00 51.94 O HETATM 1552 O HOH 91 -4.123 -23.789 -26.518 1.00 44.67 O HETATM 1553 O HOH 92 10.150 -4.682 -20.303 1.00 45.79 O HETATM 1554 O HOH 93 9.826 -21.747 -11.870 1.00 39.50 O HETATM 1555 O HOH 94 -14.806 -9.404 -23.003 1.00 49.37 O HETATM 1556 O HOH 95 15.633 -11.054 7.558 1.00 41.35 O HETATM 1557 O HOH 96 21.603 -2.916 -9.248 1.00 41.24 O HETATM 1558 O HOH 97 1.680 -10.810 -0.783 1.00 34.34 O HETATM 1559 O HOH 98 11.056 -7.172 4.485 1.00 55.27 O HETATM 1560 O HOH 99 6.124 1.386 -17.103 1.00 44.53 O HETATM 1561 O HOH 100 -4.279 2.569 -13.975 1.00 43.19 O HETATM 1562 O HOH 101 25.475 1.034 -1.539 1.00 47.85 O HETATM 1563 O HOH 102 21.302 1.618 -2.009 1.00 56.07 O HETATM 1564 O HOH 103 1.535 -9.479 1.122 1.00 46.21 O HETATM 1565 O HOH 104 9.403 -0.902 -14.502 1.00 40.62 O HETATM 1566 O HOH 105 -7.612 -12.093 -10.174 1.00 50.97 O HETATM 1567 O HOH 106 4.761 -8.408 -30.676 1.00 59.71 O HETATM 1568 O HOH 107 4.805 -3.580 -24.757 1.00 43.12 O HETATM 1569 O HOH 108 24.584 -1.250 -7.551 1.00 56.71 O HETATM 1570 O HOH 109 -18.048 -12.630 -28.247 1.00 48.19 O HETATM 1571 O HOH 110 15.904 1.309 -3.094 1.00 46.38 O HETATM 1572 O HOH 111 -12.606 -15.346 -20.317 1.00 56.29 O HETATM 1573 O HOH 112 25.083 -3.316 9.836 1.00 39.21 O HETATM 1574 O HOH 113 9.629 -5.479 4.001 1.00 49.45 O HETATM 1575 O HOH 114 4.562 -11.037 -27.391 1.00 49.12 O HETATM 1576 O HOH 115 0.443 0.246 -4.812 1.00 45.84 O HETATM 1577 O HOH 116 19.431 1.424 1.969 1.00 43.14 O HETATM 1578 O HOH 117 1.500 -18.034 -33.590 1.00 54.20 O HETATM 1579 O HOH 118 12.198 -0.735 -12.430 1.00 48.98 O HETATM 1580 O HOH 119 -6.309 -26.569 -18.955 1.00 50.57 O HETATM 1581 O HOH 120 6.230 1.001 2.770 1.00 51.94 O HETATM 1582 O HOH 121 -4.770 -28.238 -19.503 1.00 44.81 O HETATM 1583 O HOH 122 1.142 -26.112 -10.437 1.00 44.85 O HETATM 1584 O HOH 123 -11.318 -6.252 -28.647 1.00 45.55 O HETATM 1585 O HOH 124 -5.860 1.849 -30.344 1.00 48.31 O HETATM 1586 O HOH 125 24.146 0.473 -5.514 1.00 49.21 O HETATM 1587 O HOH 126 6.455 -19.686 -28.264 1.00 47.84 O HETATM 1588 O HOH 127 26.545 -7.092 -8.362 1.00 51.40 O HETATM 1589 O HOH 128 8.321 -23.781 -13.011 1.00 49.87 O HETATM 1590 O HOH 129 -19.274 -10.403 -28.383 1.00 56.97 O HETATM 1591 N1 KJM A 130 -8.322 -12.066 -13.519 1.00 -0.28 N HETATM 1592 C5 KJM A 130 -8.121 -13.316 -13.931 1.00 0.18 C HETATM 1593 C1 KJM A 130 -6.889 -13.551 -14.821 1.00 0.03 C HETATM 1594 C4 KJM A 130 -6.847 -14.679 -15.890 1.00 -0.07 C HETATM 1595 C8 KJM A 130 -6.416 -13.645 -16.942 1.00 -0.07 C HETATM 1596 C3 KJM A 130 -6.811 -12.518 -15.982 1.00 -0.07 C HETATM 1597 H11 KJM A 130 -7.770 -12.037 -16.222 1.00 0.02 H HETATM 1598 H12 KJM A 130 -6.037 -11.748 -15.849 1.00 0.02 H HETATM 1599 H7 KJM A 130 -7.006 -13.674 -17.870 1.00 0.03 H HETATM 1600 H8 KJM A 130 -5.344 -13.672 -17.188 1.00 0.03 H HETATM 1601 H3 KJM A 130 -6.099 -15.460 -15.692 1.00 0.02 H HETATM 1602 H4 KJM A 130 -7.822 -15.147 -16.090 1.00 0.02 H HETATM 1603 C2 KJM A 130 -5.677 -13.665 -13.899 1.00 -0.04 C HETATM 1604 C6 KJM A 130 -4.776 -12.611 -13.787 1.00 -0.03 C HETATM 1605 C9 KJM A 130 -3.657 -12.753 -12.989 1.00 0.07 C HETATM 1606 C11 KJM A 130 -3.422 -13.906 -12.268 1.00 -0.02 C HETATM 1607 C10 KJM A 130 -4.327 -14.951 -12.369 1.00 -0.03 C HETATM 1608 C7 KJM A 130 -5.441 -14.833 -13.185 1.00 -0.04 C HETATM 1609 H6 KJM A 130 -6.136 -15.661 -13.267 1.00 0.09 H HETATM 1610 H9 KJM A 130 -4.163 -15.864 -11.808 1.00 0.07 H HETATM 1611 H10 KJM A 130 -2.546 -13.993 -11.635 1.00 0.09 H HETATM 1612 CL1 KJM A 130 -2.485 -11.462 -12.950 1.00 -0.06 CL HETATM 1613 H5 KJM A 130 -4.951 -11.685 -14.322 1.00 0.09 H HETATM 1614 N2 KJM A 130 -8.922 -14.239 -13.596 1.00 -0.28 N HETATM 1615 H13 KJM A 130 -8.760 -15.204 -13.919 1.00 0.32 H HETATM 1616 H14 KJM A 130 -9.735 -14.025 -13.001 1.00 0.32 H HETATM 1617 H1 KJM A 130 -9.130 -11.845 -12.920 1.00 0.32 H HETATM 1618 H2 KJM A 130 -7.669 -11.320 -13.799 1.00 0.32 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1591 1592 1617 1618 CONECT 1592 1591 1593 1614 CONECT 1593 1592 1594 1596 1603 CONECT 1594 1593 1595 1601 1602 CONECT 1595 1594 1596 1599 1600 CONECT 1596 1593 1595 1597 1598 CONECT 1597 1596 CONECT 1598 1596 CONECT 1599 1595 CONECT 1600 1595 CONECT 1601 1594 CONECT 1602 1594 CONECT 1603 1593 1604 1608 CONECT 1604 1603 1605 1613 CONECT 1605 1604 1606 1612 CONECT 1606 1605 1607 1611 CONECT 1607 1606 1608 1610 CONECT 1608 1603 1607 1609 CONECT 1609 1608 CONECT 1610 1607 CONECT 1611 1606 CONECT 1612 1605 CONECT 1613 1604 CONECT 1614 1592 1615 1616 CONECT 1615 1614 CONECT 1616 1614 CONECT 1617 1591 CONECT 1618 1591 MASTER 0 0 0 0 0 0 0 0 1617 1 32 11 END
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Structure:
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Related entries of code: 6ncn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6nco
RCSB PDB
PDBbind
185aa, >6NCO_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
6ncn
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
apoE4
Ligand Name
KJM
EC.Number
E.C.-.-.-.-
Resolution
1.82(Å)
Affinity (Kd/Ki/IC50)
Kd=900uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 4120-4130
Ligand Properties
Formula
C
1
1
H
1
4
ClN
2
Molecular Weight
209.695
Exact Mass
209.085
No. of atoms
28
No. of bonds
29
Polar Surface Area
51.61
LOGP Value
4.46 (
Computed with XLOGP3
)
1.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
Clc1cccc(c1)C1(CCC1)C(=[NH2+])N
InChI String
InChI=1S/C11H13ClN2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H3,13,14)/p+1
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):
P02649
Entrez Gene ID
NCBI Entrez Gene ID:
348
ASD
Information of known allosteric effects of PDB entries
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