Browse entries in the PDBbind-CN Database
HEADER 6NCO_COMPLEX COMPND 6NCO_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 KQP A 293 48 ATOM 1 N GLN A 24 8.412 -21.431 19.340 1.00 31.40 N ATOM 2 CA GLN A 24 7.518 -21.657 20.469 1.00 25.57 C ATOM 3 C GLN A 24 6.114 -22.024 19.976 1.00 26.80 C ATOM 4 O GLN A 24 5.699 -21.632 18.894 1.00 27.35 O ATOM 5 CB GLN A 24 7.415 -20.413 21.370 1.00 32.55 C ATOM 6 CG GLN A 24 8.670 -20.007 22.155 1.00 34.02 C ATOM 7 CD GLN A 24 9.422 -21.179 22.766 1.00 37.54 C ATOM 8 OE1 GLN A 24 8.840 -22.029 23.444 1.00 39.06 O ATOM 9 NE2 GLN A 24 10.732 -21.222 22.531 1.00 48.63 N ATOM 10 HE22 GLN A 24 11.181 -20.483 21.953 1.00 0.00 H ATOM 11 HE21 GLN A 24 11.306 -21.994 22.925 1.00 0.00 H ATOM 12 HN3 GLN A 24 8.043 -20.652 18.758 1.00 0.00 H ATOM 13 HN2 GLN A 24 8.470 -22.297 18.767 1.00 0.00 H ATOM 14 HN1 GLN A 24 9.358 -21.183 19.693 1.00 0.00 H ATOM 15 N ARG A 25 5.364 -22.738 20.814 1.00 23.08 N ATOM 16 CA ARG A 25 3.998 -23.093 20.453 1.00 24.56 C ATOM 17 C ARG A 25 3.139 -21.860 20.199 1.00 24.60 C ATOM 18 O ARG A 25 2.311 -21.854 19.277 1.00 22.25 O ATOM 19 CB ARG A 25 3.373 -23.945 21.556 1.00 24.26 C ATOM 20 CG ARG A 25 3.950 -25.333 21.657 1.00 30.87 C ATOM 21 CD ARG A 25 3.523 -25.998 22.967 1.00 33.35 C ATOM 22 NE ARG A 25 2.070 -26.084 23.113 1.00 31.19 N ATOM 23 CZ ARG A 25 1.396 -27.223 23.275 1.00 33.53 C ATOM 24 NH1 ARG A 25 2.049 -28.379 23.297 1.00 24.73 N ATOM 25 NH2 ARG A 25 0.070 -27.204 23.417 1.00 30.10 N ATOM 26 HE ARG A 25 1.526 -25.198 23.089 1.00 0.00 H ATOM 27 HH12 ARG A 25 1.526 -29.269 23.423 1.00 0.00 H ATOM 28 HH11 ARG A 25 3.083 -28.394 23.188 1.00 0.00 H ATOM 29 HH22 ARG A 25 -0.452 -28.094 23.543 1.00 0.00 H ATOM 30 HH21 ARG A 25 -0.442 -26.299 23.402 1.00 0.00 H ATOM 31 H ARG A 25 5.755 -23.043 21.728 1.00 0.00 H ATOM 32 N TRP A 26 3.266 -20.823 21.035 1.00 20.96 N ATOM 33 CA TRP A 26 2.392 -19.670 20.827 1.00 19.26 C ATOM 34 C TRP A 26 2.759 -18.934 19.546 1.00 21.97 C ATOM 35 O TRP A 26 1.879 -18.360 18.890 1.00 21.82 O ATOM 36 CB TRP A 26 2.435 -18.734 22.039 1.00 24.49 C ATOM 37 CG TRP A 26 3.593 -17.792 22.028 1.00 24.01 C ATOM 38 CD1 TRP A 26 4.826 -17.994 22.594 1.00 21.57 C ATOM 39 CD2 TRP A 26 3.636 -16.491 21.420 1.00 22.73 C ATOM 40 NE1 TRP A 26 5.630 -16.906 22.361 1.00 21.71 N ATOM 41 CE2 TRP A 26 4.921 -15.963 21.657 1.00 22.38 C ATOM 42 CE3 TRP A 26 2.705 -15.718 20.706 1.00 24.10 C ATOM 43 CZ2 TRP A 26 5.305 -14.696 21.208 1.00 26.55 C ATOM 44 CZ3 TRP A 26 3.095 -14.457 20.256 1.00 23.05 C ATOM 45 CH2 TRP A 26 4.377 -13.964 20.504 1.00 24.18 C ATOM 46 HE1 TRP A 26 6.619 -16.811 22.669 1.00 0.00 H ATOM 47 H TRP A 26 3.963 -20.837 21.807 1.00 0.00 H ATOM 48 N GLU A 27 4.038 -18.955 19.164 1.00 19.03 N ATOM 49 CA GLU A 27 4.444 -18.313 17.914 1.00 20.53 C ATOM 50 C GLU A 27 3.916 -19.076 16.711 1.00 20.98 C ATOM 51 O GLU A 27 3.561 -18.469 15.697 1.00 21.24 O ATOM 52 CB GLU A 27 5.968 -18.193 17.837 1.00 23.25 C ATOM 53 CG GLU A 27 6.576 -17.296 18.912 1.00 22.91 C ATOM 54 CD GLU A 27 8.108 -17.321 18.926 1.00 36.79 C ATOM 55 OE1 GLU A 27 8.709 -18.148 18.200 1.00 38.64 O ATOM 56 OE2 GLU A 27 8.714 -16.504 19.662 1.00 32.46 O ATOM 57 H GLU A 27 4.748 -19.430 19.757 1.00 0.00 H ATOM 58 N LEU A 28 3.873 -20.410 16.795 1.00 21.96 N ATOM 59 CA LEU A 28 3.275 -21.200 15.725 1.00 21.26 C ATOM 60 C LEU A 28 1.782 -20.928 15.624 1.00 20.37 C ATOM 61 O LEU A 28 1.234 -20.802 14.518 1.00 24.15 O ATOM 62 CB LEU A 28 3.538 -22.685 15.977 1.00 23.89 C ATOM 63 CG LEU A 28 3.005 -23.688 14.959 1.00 34.30 C ATOM 64 CD1 LEU A 28 3.839 -23.611 13.682 1.00 39.42 C ATOM 65 CD2 LEU A 28 3.030 -25.104 15.533 1.00 38.13 C ATOM 66 H LEU A 28 4.269 -20.888 17.630 1.00 0.00 H ATOM 67 N ALA A 29 1.112 -20.802 16.770 1.00 18.75 N ATOM 68 CA ALA A 29 -0.308 -20.480 16.756 1.00 18.13 C ATOM 69 C ALA A 29 -0.538 -19.115 16.130 1.00 20.02 C ATOM 70 O ALA A 29 -1.420 -18.938 15.280 1.00 19.90 O ATOM 71 CB ALA A 29 -0.867 -20.522 18.180 1.00 20.09 C ATOM 72 H ALA A 29 1.605 -20.934 17.676 1.00 0.00 H ATOM 73 N LEU A 30 0.238 -18.119 16.552 1.00 17.29 N ATOM 74 CA LEU A 30 0.092 -16.804 15.933 1.00 18.24 C ATOM 75 C LEU A 30 0.364 -16.875 14.439 1.00 19.18 C ATOM 76 O LEU A 30 -0.300 -16.203 13.644 1.00 20.65 O ATOM 77 CB LEU A 30 1.036 -15.806 16.614 1.00 19.50 C ATOM 78 CG LEU A 30 1.116 -14.436 15.934 1.00 18.87 C ATOM 79 CD1 LEU A 30 -0.246 -13.749 16.006 1.00 20.66 C ATOM 80 CD2 LEU A 30 2.171 -13.607 16.633 1.00 24.50 C ATOM 81 H LEU A 30 0.935 -18.274 17.308 1.00 0.00 H ATOM 82 N GLY A 31 1.334 -17.694 14.034 1.00 16.68 N ATOM 83 CA GLY A 31 1.649 -17.803 12.619 1.00 20.33 C ATOM 84 C GLY A 31 0.515 -18.387 11.806 1.00 20.71 C ATOM 85 O GLY A 31 0.316 -18.005 10.651 1.00 20.41 O ATOM 86 H GLY A 31 1.866 -18.255 14.730 1.00 0.00 H ATOM 87 N ARG A 32 -0.256 -19.294 12.403 1.00 19.18 N ATOM 88 CA ARG A 32 -1.440 -19.799 11.707 1.00 20.63 C ATOM 89 C ARG A 32 -2.473 -18.695 11.528 1.00 21.06 C ATOM 90 O ARG A 32 -3.094 -18.589 10.463 1.00 19.32 O ATOM 91 CB ARG A 32 -2.030 -20.987 12.466 1.00 23.16 C ATOM 92 CG ARG A 32 -1.165 -22.252 12.397 1.00 27.20 C ATOM 93 CD ARG A 32 -1.463 -23.065 11.141 1.00 30.18 C ATOM 94 NE ARG A 32 -2.860 -22.917 10.757 1.00 31.96 N ATOM 95 CZ ARG A 32 -3.490 -23.622 9.821 1.00 26.68 C ATOM 96 NH1 ARG A 32 -2.870 -24.580 9.112 1.00 22.22 N ATOM 97 NH2 ARG A 32 -4.764 -23.356 9.601 1.00 27.72 N ATOM 98 HE ARG A 32 -3.415 -22.195 11.260 1.00 0.00 H ATOM 99 HH12 ARG A 32 -3.393 -25.112 8.388 1.00 0.00 H ATOM 100 HH11 ARG A 32 -1.867 -24.790 9.288 1.00 0.00 H ATOM 101 HH22 ARG A 32 -5.289 -23.887 8.877 1.00 0.00 H ATOM 102 HH21 ARG A 32 -5.243 -22.615 10.152 1.00 0.00 H ATOM 103 H ARG A 32 -0.019 -19.640 13.355 1.00 0.00 H ATOM 104 N PHE A 33 -2.658 -17.853 12.547 1.00 17.88 N ATOM 105 CA PHE A 33 -3.534 -16.695 12.396 1.00 15.56 C ATOM 106 C PHE A 33 -3.005 -15.772 11.312 1.00 17.39 C ATOM 107 O PHE A 33 -3.765 -15.281 10.464 1.00 16.73 O ATOM 108 CB PHE A 33 -3.640 -15.951 13.737 1.00 15.64 C ATOM 109 CG PHE A 33 -4.581 -14.770 13.729 1.00 18.43 C ATOM 110 CD1 PHE A 33 -4.158 -13.509 13.329 1.00 19.14 C ATOM 111 CD2 PHE A 33 -5.888 -14.920 14.156 1.00 16.77 C ATOM 112 CE1 PHE A 33 -5.036 -12.439 13.336 1.00 18.12 C ATOM 113 CE2 PHE A 33 -6.757 -13.847 14.182 1.00 19.77 C ATOM 114 CZ PHE A 33 -6.327 -12.604 13.762 1.00 19.47 C ATOM 115 H PHE A 33 -2.176 -18.023 13.453 1.00 0.00 H ATOM 116 N TRP A 34 -1.689 -15.545 11.313 1.00 14.97 N ATOM 117 CA TRP A 34 -1.066 -14.610 10.376 1.00 15.55 C ATOM 118 C TRP A 34 -1.153 -15.104 8.930 1.00 17.93 C ATOM 119 O TRP A 34 -1.437 -14.315 8.010 1.00 16.78 O ATOM 120 CB TRP A 34 0.397 -14.411 10.815 1.00 17.57 C ATOM 121 CG TRP A 34 1.149 -13.411 10.034 1.00 15.91 C ATOM 122 CD1 TRP A 34 2.104 -13.657 9.086 1.00 18.61 C ATOM 123 CD2 TRP A 34 1.033 -11.981 10.132 1.00 16.91 C ATOM 124 NE1 TRP A 34 2.567 -12.467 8.570 1.00 21.27 N ATOM 125 CE2 TRP A 34 1.929 -11.427 9.196 1.00 19.76 C ATOM 126 CE3 TRP A 34 0.247 -11.118 10.909 1.00 19.24 C ATOM 127 CZ2 TRP A 34 2.063 -10.052 9.016 1.00 19.47 C ATOM 128 CZ3 TRP A 34 0.388 -9.739 10.732 1.00 19.37 C ATOM 129 CH2 TRP A 34 1.291 -9.227 9.789 1.00 19.55 C ATOM 130 HE1 TRP A 34 3.286 -12.372 7.824 1.00 0.00 H ATOM 131 H TRP A 34 -1.090 -16.047 11.999 1.00 0.00 H ATOM 132 N ASP A 35 -0.900 -16.395 8.696 1.00 17.44 N ATOM 133 CA ASP A 35 -0.999 -16.935 7.338 1.00 18.85 C ATOM 134 C ASP A 35 -2.437 -16.908 6.841 1.00 18.11 C ATOM 135 O ASP A 35 -2.686 -16.640 5.659 1.00 18.14 O ATOM 136 CB ASP A 35 -0.474 -18.375 7.287 1.00 23.66 C ATOM 137 CG ASP A 35 1.052 -18.441 7.200 1.00 29.45 C ATOM 138 OD1 ASP A 35 1.695 -17.366 7.170 1.00 27.44 O ATOM 139 OD2 ASP A 35 1.598 -19.575 7.170 1.00 33.18 O ATOM 140 H ASP A 35 -0.631 -17.020 9.483 1.00 0.00 H ATOM 141 N TYR A 36 -3.390 -17.208 7.718 1.00 18.33 N ATOM 142 CA TYR A 36 -4.795 -17.154 7.318 1.00 19.53 C ATOM 143 C TYR A 36 -5.174 -15.738 6.937 1.00 19.12 C ATOM 144 O TYR A 36 -5.859 -15.504 5.930 1.00 17.40 O ATOM 145 CB TYR A 36 -5.675 -17.652 8.462 1.00 16.77 C ATOM 146 CG TYR A 36 -7.131 -17.833 8.100 1.00 18.39 C ATOM 147 CD1 TYR A 36 -8.014 -16.772 8.145 1.00 25.44 C ATOM 148 CD2 TYR A 36 -7.607 -19.059 7.713 1.00 19.97 C ATOM 149 CE1 TYR A 36 -9.351 -16.937 7.809 1.00 27.75 C ATOM 150 CE2 TYR A 36 -8.941 -19.240 7.371 1.00 21.70 C ATOM 151 CZ TYR A 36 -9.804 -18.173 7.413 1.00 24.31 C ATOM 152 OH TYR A 36 -11.141 -18.359 7.088 1.00 22.92 O ATOM 153 HH TYR A 36 -11.541 -19.020 7.707 1.00 0.00 H ATOM 154 H TYR A 36 -3.136 -17.481 8.689 1.00 0.00 H ATOM 155 N LEU A 37 -4.731 -14.772 7.737 1.00 17.01 N ATOM 156 CA LEU A 37 -5.039 -13.384 7.447 1.00 16.75 C ATOM 157 C LEU A 37 -4.312 -12.904 6.195 1.00 17.70 C ATOM 158 O LEU A 37 -4.834 -12.050 5.481 1.00 18.28 O ATOM 159 CB LEU A 37 -4.689 -12.545 8.684 1.00 18.48 C ATOM 160 CG LEU A 37 -5.086 -11.086 8.766 1.00 30.24 C ATOM 161 CD1 LEU A 37 -6.558 -10.895 8.370 1.00 25.91 C ATOM 162 CD2 LEU A 37 -4.802 -10.613 10.202 1.00 22.07 C ATOM 163 H LEU A 37 -4.162 -15.012 8.573 1.00 0.00 H ATOM 164 N ARG A 38 -3.115 -13.434 5.891 1.00 16.52 N ATOM 165 CA ARG A 38 -2.480 -13.042 4.639 1.00 15.79 C ATOM 166 C ARG A 38 -3.293 -13.519 3.440 1.00 15.72 C ATOM 167 O ARG A 38 -3.349 -12.841 2.407 1.00 19.31 O ATOM 168 CB ARG A 38 -1.062 -13.604 4.547 1.00 19.44 C ATOM 169 CG ARG A 38 -0.299 -12.939 3.423 1.00 23.12 C ATOM 170 CD ARG A 38 0.976 -13.686 3.050 1.00 25.23 C ATOM 171 NE ARG A 38 1.834 -14.054 4.174 1.00 26.41 N ATOM 172 CZ ARG A 38 2.679 -13.228 4.795 1.00 24.93 C ATOM 173 NH1 ARG A 38 3.443 -13.697 5.777 1.00 24.89 N ATOM 174 NH2 ARG A 38 2.760 -11.945 4.457 1.00 27.75 N ATOM 175 HE ARG A 38 1.782 -15.035 4.516 1.00 0.00 H ATOM 176 HH12 ARG A 38 4.105 -13.063 6.268 1.00 0.00 H ATOM 177 HH11 ARG A 38 3.378 -14.697 6.054 1.00 0.00 H ATOM 178 HH22 ARG A 38 3.425 -11.318 4.953 1.00 0.00 H ATOM 179 HH21 ARG A 38 2.159 -11.569 3.697 1.00 0.00 H ATOM 180 H ARG A 38 -2.653 -14.108 6.534 1.00 0.00 H ATOM 181 N TRP A 39 -3.935 -14.673 3.575 1.00 15.93 N ATOM 182 CA TRP A 39 -4.849 -15.156 2.543 1.00 15.99 C ATOM 183 C TRP A 39 -6.069 -14.248 2.424 1.00 20.02 C ATOM 184 O TRP A 39 -6.462 -13.850 1.320 1.00 18.55 O ATOM 185 CB TRP A 39 -5.265 -16.582 2.886 1.00 17.10 C ATOM 186 CG TRP A 39 -6.295 -17.167 1.963 1.00 18.60 C ATOM 187 CD1 TRP A 39 -6.142 -17.466 0.633 1.00 25.26 C ATOM 188 CD2 TRP A 39 -7.636 -17.516 2.304 1.00 22.26 C ATOM 189 NE1 TRP A 39 -7.321 -17.981 0.123 1.00 24.36 N ATOM 190 CE2 TRP A 39 -8.250 -18.027 1.129 1.00 22.09 C ATOM 191 CE3 TRP A 39 -8.385 -17.443 3.483 1.00 24.79 C ATOM 192 CZ2 TRP A 39 -9.568 -18.457 1.113 1.00 20.91 C ATOM 193 CZ3 TRP A 39 -9.694 -17.872 3.462 1.00 30.49 C ATOM 194 CH2 TRP A 39 -10.275 -18.368 2.285 1.00 22.41 C ATOM 195 HE1 TRP A 39 -7.476 -18.283 -0.860 1.00 0.00 H ATOM 196 H TRP A 39 -3.784 -15.244 4.431 1.00 0.00 H ATOM 197 N VAL A 40 -6.679 -13.897 3.554 1.00 16.05 N ATOM 198 CA VAL A 40 -7.834 -12.988 3.507 1.00 15.18 C ATOM 199 C VAL A 40 -7.470 -11.683 2.806 1.00 16.59 C ATOM 200 O VAL A 40 -8.260 -11.127 2.041 1.00 18.60 O ATOM 201 CB VAL A 40 -8.351 -12.736 4.936 1.00 16.35 C ATOM 202 CG1 VAL A 40 -9.420 -11.624 4.920 1.00 20.97 C ATOM 203 CG2 VAL A 40 -8.888 -14.025 5.514 1.00 18.61 C ATOM 204 H VAL A 40 -6.340 -14.264 4.466 1.00 0.00 H ATOM 205 N GLN A 41 -6.255 -11.178 3.047 1.00 15.15 N ATOM 206 CA GLN A 41 -5.819 -9.921 2.454 1.00 18.88 C ATOM 207 C GLN A 41 -5.900 -9.944 0.932 1.00 17.89 C ATOM 208 O GLN A 41 -6.074 -8.888 0.312 1.00 20.25 O ATOM 209 CB GLN A 41 -4.387 -9.624 2.930 1.00 18.69 C ATOM 210 CG GLN A 41 -3.709 -8.387 2.334 1.00 18.40 C ATOM 211 CD GLN A 41 -4.174 -7.092 2.978 1.00 24.27 C ATOM 212 OE1 GLN A 41 -3.897 -6.818 4.156 1.00 22.60 O ATOM 213 NE2 GLN A 41 -4.873 -6.275 2.201 1.00 22.60 N ATOM 214 HE22 GLN A 41 -5.083 -6.544 1.219 1.00 0.00 H ATOM 215 HE21 GLN A 41 -5.211 -5.365 2.574 1.00 0.00 H ATOM 216 H GLN A 41 -5.606 -11.696 3.673 1.00 0.00 H ATOM 217 N THR A 42 -5.753 -11.119 0.311 1.00 17.35 N ATOM 218 CA THR A 42 -5.784 -11.168 -1.157 1.00 17.65 C ATOM 219 C THR A 42 -7.157 -10.804 -1.695 1.00 22.20 C ATOM 220 O THR A 42 -7.272 -10.346 -2.842 1.00 22.86 O ATOM 221 CB THR A 42 -5.401 -12.548 -1.679 1.00 19.57 C ATOM 222 OG1 THR A 42 -6.380 -13.522 -1.283 1.00 20.01 O ATOM 223 CG2 THR A 42 -4.015 -12.973 -1.141 1.00 20.26 C ATOM 224 HG1 THR A 42 -6.432 -13.553 -0.295 1.00 0.00 H ATOM 225 H THR A 42 -5.618 -11.990 0.862 1.00 0.00 H ATOM 226 N LEU A 43 -8.199 -11.019 -0.896 1.00 18.68 N ATOM 227 CA LEU A 43 -9.584 -10.762 -1.315 1.00 18.79 C ATOM 228 C LEU A 43 -9.868 -11.452 -2.642 1.00 20.29 C ATOM 229 O LEU A 43 -10.539 -10.914 -3.534 1.00 24.94 O ATOM 230 CB LEU A 43 -9.876 -9.268 -1.382 1.00 19.70 C ATOM 231 CG LEU A 43 -9.851 -8.560 -0.021 1.00 21.32 C ATOM 232 CD1 LEU A 43 -10.100 -7.074 -0.150 1.00 26.83 C ATOM 233 CD2 LEU A 43 -10.857 -9.189 0.924 1.00 24.35 C ATOM 234 H LEU A 43 -8.027 -11.383 0.063 1.00 0.00 H ATOM 235 N SER A 44 -9.362 -12.669 -2.755 1.00 17.97 N ATOM 236 CA SER A 44 -9.606 -13.509 -3.915 1.00 20.45 C ATOM 237 C SER A 44 -11.076 -13.945 -3.964 1.00 22.80 C ATOM 238 O SER A 44 -11.862 -13.710 -3.042 1.00 21.52 O ATOM 239 CB SER A 44 -8.701 -14.740 -3.867 1.00 22.34 C ATOM 240 OG SER A 44 -9.136 -15.612 -2.834 1.00 24.42 O ATOM 241 HG SER A 44 -8.548 -16.408 -2.806 1.00 0.00 H ATOM 242 H SER A 44 -8.768 -13.038 -1.985 1.00 0.00 H ATOM 243 N GLU A 45 -11.438 -14.619 -5.056 1.00 25.64 N ATOM 244 CA GLU A 45 -12.821 -15.049 -5.232 1.00 24.04 C ATOM 245 C GLU A 45 -13.323 -15.847 -4.031 1.00 27.43 C ATOM 246 O GLU A 45 -14.410 -15.578 -3.507 1.00 27.54 O ATOM 247 CB GLU A 45 -12.944 -15.861 -6.530 1.00 26.97 C ATOM 248 CG GLU A 45 -14.271 -16.563 -6.687 1.00 29.08 C ATOM 249 CD GLU A 45 -15.448 -15.604 -6.748 1.00 28.49 C ATOM 250 OE1 GLU A 45 -15.277 -14.438 -7.181 1.00 28.15 O ATOM 251 OE2 GLU A 45 -16.555 -16.033 -6.338 1.00 39.98 O ATOM 252 H GLU A 45 -10.731 -14.839 -5.786 1.00 0.00 H ATOM 253 N GLN A 46 -12.532 -16.813 -3.549 1.00 22.64 N ATOM 254 CA GLN A 46 -13.011 -17.629 -2.436 1.00 24.15 C ATOM 255 C GLN A 46 -13.004 -16.864 -1.117 1.00 23.84 C ATOM 256 O GLN A 46 -13.835 -17.139 -0.237 1.00 22.90 O ATOM 257 CB GLN A 46 -12.176 -18.899 -2.306 1.00 29.21 C ATOM 258 CG GLN A 46 -12.687 -19.869 -1.247 1.00 29.06 C ATOM 259 CD GLN A 46 -14.101 -20.373 -1.508 1.00 40.25 C ATOM 260 OE1 GLN A 46 -14.591 -20.349 -2.645 1.00 38.91 O ATOM 261 NE2 GLN A 46 -14.762 -20.848 -0.451 1.00 39.88 N ATOM 262 HE22 GLN A 46 -14.312 -20.849 0.486 1.00 0.00 H ATOM 263 HE21 GLN A 46 -15.728 -21.217 -0.564 1.00 0.00 H ATOM 264 H GLN A 46 -11.591 -16.980 -3.960 1.00 0.00 H ATOM 265 N VAL A 47 -12.084 -15.913 -0.943 1.00 23.20 N ATOM 266 CA VAL A 47 -12.144 -15.073 0.255 1.00 18.48 C ATOM 267 C VAL A 47 -13.453 -14.289 0.271 1.00 20.21 C ATOM 268 O VAL A 47 -14.144 -14.221 1.292 1.00 23.41 O ATOM 269 CB VAL A 47 -10.939 -14.117 0.324 1.00 19.93 C ATOM 270 CG1 VAL A 47 -11.141 -13.110 1.456 1.00 19.69 C ATOM 271 CG2 VAL A 47 -9.659 -14.894 0.550 1.00 18.49 C ATOM 272 H VAL A 47 -11.334 -15.770 -1.649 1.00 0.00 H ATOM 273 N GLN A 48 -13.788 -13.667 -0.869 1.00 22.71 N ATOM 274 CA GLN A 48 -14.985 -12.823 -0.941 1.00 19.25 C ATOM 275 C GLN A 48 -16.230 -13.619 -0.626 1.00 28.29 C ATOM 276 O GLN A 48 -17.171 -13.105 -0.009 1.00 26.68 O ATOM 277 CB GLN A 48 -15.123 -12.209 -2.329 1.00 21.49 C ATOM 278 CG GLN A 48 -14.082 -11.180 -2.644 1.00 21.94 C ATOM 279 CD GLN A 48 -14.252 -10.614 -4.010 1.00 35.34 C ATOM 280 OE1 GLN A 48 -15.335 -10.147 -4.368 1.00 32.26 O ATOM 281 NE2 GLN A 48 -13.185 -10.647 -4.796 1.00 27.89 N ATOM 282 HE22 GLN A 48 -12.294 -11.052 -4.446 1.00 0.00 H ATOM 283 HE21 GLN A 48 -13.239 -10.268 -5.763 1.00 0.00 H ATOM 284 H GLN A 48 -13.191 -13.785 -1.713 1.00 0.00 H ATOM 285 N GLU A 49 -16.262 -14.868 -1.071 1.00 23.18 N ATOM 286 CA GLU A 49 -17.367 -15.755 -0.743 1.00 26.29 C ATOM 287 C GLU A 49 -17.429 -16.021 0.759 1.00 29.68 C ATOM 288 O GLU A 49 -18.481 -15.862 1.389 1.00 29.86 O ATOM 289 CB GLU A 49 -17.202 -17.060 -1.523 1.00 28.67 C ATOM 290 CG GLU A 49 -18.371 -18.015 -1.413 1.00 31.93 C ATOM 291 CD GLU A 49 -19.472 -17.706 -2.406 1.00 37.75 C ATOM 292 OE1 GLU A 49 -19.400 -16.651 -3.091 1.00 30.71 O ATOM 293 OE2 GLU A 49 -20.415 -18.523 -2.484 1.00 36.61 O ATOM 294 H GLU A 49 -15.484 -15.219 -1.665 1.00 0.00 H ATOM 295 N GLU A 50 -16.300 -16.413 1.359 1.00 25.27 N ATOM 296 CA GLU A 50 -16.333 -16.767 2.773 1.00 22.01 C ATOM 297 C GLU A 50 -16.499 -15.554 3.678 1.00 26.36 C ATOM 298 O GLU A 50 -16.900 -15.720 4.833 1.00 26.96 O ATOM 299 CB GLU A 50 -15.074 -17.548 3.157 1.00 23.87 C ATOM 300 CG GLU A 50 -14.933 -18.845 2.375 1.00 28.65 C ATOM 301 CD GLU A 50 -13.820 -19.749 2.863 1.00 37.59 C ATOM 302 OE1 GLU A 50 -13.287 -19.527 3.979 1.00 31.77 O ATOM 303 OE2 GLU A 50 -13.488 -20.699 2.124 1.00 34.57 O ATOM 304 H GLU A 50 -15.410 -16.465 0.824 1.00 0.00 H ATOM 305 N LEU A 51 -16.213 -14.341 3.195 1.00 19.97 N ATOM 306 CA LEU A 51 -16.416 -13.160 4.034 1.00 19.56 C ATOM 307 C LEU A 51 -17.889 -12.811 4.200 1.00 23.92 C ATOM 308 O LEU A 51 -18.246 -12.091 5.138 1.00 22.26 O ATOM 309 CB LEU A 51 -15.696 -11.944 3.442 1.00 19.12 C ATOM 310 CG LEU A 51 -14.201 -11.852 3.721 1.00 19.82 C ATOM 311 CD1 LEU A 51 -13.613 -10.691 2.918 1.00 19.98 C ATOM 312 CD2 LEU A 51 -13.950 -11.671 5.212 1.00 22.82 C ATOM 313 H LEU A 51 -15.848 -14.237 2.227 1.00 0.00 H ATOM 314 N LEU A 52 -18.747 -13.275 3.304 1.00 22.53 N ATOM 315 CA LEU A 52 -20.161 -12.962 3.442 1.00 21.73 C ATOM 316 C LEU A 52 -20.908 -14.003 4.257 1.00 30.36 C ATOM 317 O LEU A 52 -22.090 -13.804 4.564 1.00 30.36 O ATOM 318 CB LEU A 52 -20.808 -12.805 2.063 1.00 26.36 C ATOM 319 CG LEU A 52 -20.232 -11.663 1.226 1.00 24.33 C ATOM 320 CD1 LEU A 52 -21.087 -11.442 -0.017 1.00 24.43 C ATOM 321 CD2 LEU A 52 -20.150 -10.380 2.023 1.00 26.43 C ATOM 322 H LEU A 52 -18.413 -13.857 2.510 1.00 0.00 H ATOM 323 N SER A 53 -20.252 -15.096 4.608 1.00 24.35 N ATOM 324 CA SER A 53 -20.734 -16.016 5.620 1.00 27.95 C ATOM 325 C SER A 53 -20.009 -15.714 6.927 1.00 31.78 C ATOM 326 O SER A 53 -19.211 -14.781 7.027 1.00 28.48 O ATOM 327 CB SER A 53 -20.492 -17.460 5.200 1.00 30.16 C ATOM 328 OG SER A 53 -19.101 -17.753 5.261 1.00 32.20 O ATOM 329 HG SER A 53 -18.950 -18.692 4.987 1.00 0.00 H ATOM 330 H SER A 53 -19.349 -15.306 4.137 1.00 0.00 H ATOM 331 N SER A 54 -20.273 -16.531 7.934 1.00 31.33 N ATOM 332 CA SER A 54 -19.555 -16.404 9.188 1.00 27.88 C ATOM 333 C SER A 54 -18.200 -17.092 9.160 1.00 26.94 C ATOM 334 O SER A 54 -17.501 -17.079 10.181 1.00 29.04 O ATOM 335 CB SER A 54 -20.397 -16.992 10.321 1.00 32.99 C ATOM 336 OG SER A 54 -21.371 -16.053 10.723 1.00 52.69 O ATOM 337 HG SER A 54 -21.914 -16.436 11.456 1.00 0.00 H ATOM 338 H SER A 54 -20.999 -17.268 7.826 1.00 0.00 H ATOM 339 N GLN A 55 -17.816 -17.690 8.028 1.00 24.87 N ATOM 340 CA GLN A 55 -16.729 -18.659 8.052 1.00 22.13 C ATOM 341 C GLN A 55 -15.394 -18.006 8.396 1.00 24.03 C ATOM 342 O GLN A 55 -14.638 -18.534 9.219 1.00 21.33 O ATOM 343 CB GLN A 55 -16.617 -19.387 6.714 1.00 26.82 C ATOM 344 CG GLN A 55 -15.668 -20.576 6.823 1.00 27.62 C ATOM 345 CD GLN A 55 -15.539 -21.389 5.550 1.00 35.32 C ATOM 346 OE1 GLN A 55 -16.290 -21.200 4.585 1.00 34.40 O ATOM 347 NE2 GLN A 55 -14.578 -22.303 5.543 1.00 32.93 N ATOM 348 HE22 GLN A 55 -13.971 -22.426 6.379 1.00 0.00 H ATOM 349 HE21 GLN A 55 -14.431 -22.897 4.702 1.00 0.00 H ATOM 350 H GLN A 55 -18.293 -17.464 7.132 1.00 0.00 H ATOM 351 N VAL A 56 -15.072 -16.876 7.755 1.00 20.75 N ATOM 352 CA VAL A 56 -13.753 -16.263 7.970 1.00 20.79 C ATOM 353 C VAL A 56 -13.628 -15.765 9.403 1.00 23.55 C ATOM 354 O VAL A 56 -12.610 -15.997 10.081 1.00 22.25 O ATOM 355 CB VAL A 56 -13.502 -15.130 6.955 1.00 21.48 C ATOM 356 CG1 VAL A 56 -12.331 -14.223 7.433 1.00 19.17 C ATOM 357 CG2 VAL A 56 -13.183 -15.715 5.571 1.00 22.28 C ATOM 358 H VAL A 56 -15.753 -16.433 7.106 1.00 0.00 H ATOM 359 N THR A 57 -14.649 -15.066 9.897 1.00 20.03 N ATOM 360 CA THR A 57 -14.525 -14.530 11.243 1.00 20.27 C ATOM 361 C THR A 57 -14.597 -15.638 12.283 1.00 23.46 C ATOM 362 O THR A 57 -13.998 -15.505 13.352 1.00 22.24 O ATOM 363 CB THR A 57 -15.573 -13.445 11.506 1.00 23.34 C ATOM 364 OG1 THR A 57 -16.878 -13.922 11.144 1.00 25.08 O ATOM 365 CG2 THR A 57 -15.248 -12.200 10.673 1.00 23.92 C ATOM 366 HG1 THR A 57 -17.096 -14.723 11.683 1.00 0.00 H ATOM 367 H THR A 57 -15.510 -14.908 9.336 1.00 0.00 H ATOM 368 N GLN A 58 -15.291 -16.748 11.988 1.00 22.21 N ATOM 369 CA GLN A 58 -15.282 -17.862 12.935 1.00 23.53 C ATOM 370 C GLN A 58 -13.927 -18.563 12.950 1.00 23.11 C ATOM 371 O GLN A 58 -13.428 -18.938 14.018 1.00 26.09 O ATOM 372 CB GLN A 58 -16.408 -18.847 12.612 1.00 25.85 C ATOM 373 CG GLN A 58 -17.748 -18.422 13.230 1.00 32.90 C ATOM 374 CD GLN A 58 -17.611 -18.037 14.712 1.00 50.56 C ATOM 375 OE1 GLN A 58 -17.613 -16.852 15.067 1.00 54.34 O ATOM 376 NE2 GLN A 58 -17.484 -19.042 15.579 1.00 48.48 N ATOM 377 HE22 GLN A 58 -17.487 -20.025 15.240 1.00 0.00 H ATOM 378 HE21 GLN A 58 -17.382 -18.843 16.595 1.00 0.00 H ATOM 379 H GLN A 58 -15.827 -16.815 11.099 1.00 0.00 H ATOM 380 N GLU A 59 -13.302 -18.739 11.784 1.00 23.16 N ATOM 381 CA GLU A 59 -12.000 -19.393 11.768 1.00 24.00 C ATOM 382 C GLU A 59 -10.942 -18.502 12.420 1.00 23.72 C ATOM 383 O GLU A 59 -10.066 -19.000 13.141 1.00 23.16 O ATOM 384 CB GLU A 59 -11.649 -19.804 10.325 1.00 25.08 C ATOM 385 CG GLU A 59 -12.590 -20.963 9.819 1.00 23.00 C ATOM 386 CD GLU A 59 -12.382 -21.452 8.366 1.00 26.67 C ATOM 387 OE1 GLU A 59 -12.982 -22.493 8.000 1.00 22.46 O ATOM 388 OE2 GLU A 59 -11.646 -20.821 7.591 1.00 29.95 O ATOM 389 H GLU A 59 -13.739 -18.413 10.898 1.00 0.00 H ATOM 390 N LEU A 60 -11.018 -17.185 12.198 1.00 20.99 N ATOM 391 CA LEU A 60 -10.076 -16.280 12.858 1.00 19.99 C ATOM 392 C LEU A 60 -10.277 -16.290 14.364 1.00 23.20 C ATOM 393 O LEU A 60 -9.312 -16.182 15.130 1.00 24.55 O ATOM 394 CB LEU A 60 -10.232 -14.861 12.324 1.00 23.42 C ATOM 395 CG LEU A 60 -9.634 -14.592 10.947 1.00 22.06 C ATOM 396 CD1 LEU A 60 -10.106 -13.207 10.522 1.00 26.41 C ATOM 397 CD2 LEU A 60 -8.099 -14.647 10.931 1.00 23.30 C ATOM 398 H LEU A 60 -11.745 -16.805 11.558 1.00 0.00 H ATOM 399 N ARG A 61 -11.531 -16.397 14.814 1.00 21.83 N ATOM 400 CA ARG A 61 -11.769 -16.456 16.254 1.00 20.06 C ATOM 401 C ARG A 61 -11.108 -17.686 16.863 1.00 22.73 C ATOM 402 O ARG A 61 -10.464 -17.593 17.918 1.00 26.60 O ATOM 403 CB ARG A 61 -13.265 -16.458 16.552 1.00 25.46 C ATOM 404 CG ARG A 61 -13.581 -16.399 18.036 1.00 30.24 C ATOM 405 CD ARG A 61 -15.060 -16.629 18.260 1.00 47.99 C ATOM 406 NE ARG A 61 -15.443 -16.438 19.656 1.00 71.49 N ATOM 407 CZ ARG A 61 -16.605 -16.831 20.173 1.00 74.67 C ATOM 408 NH1 ARG A 61 -17.505 -17.442 19.409 1.00 66.14 N ATOM 409 NH2 ARG A 61 -16.868 -16.619 21.457 1.00 75.39 N ATOM 410 HE ARG A 61 -14.765 -15.965 20.287 1.00 0.00 H ATOM 411 HH12 ARG A 61 -18.412 -17.748 19.817 1.00 0.00 H ATOM 412 HH11 ARG A 61 -17.302 -17.615 18.404 1.00 0.00 H ATOM 413 HH22 ARG A 61 -17.776 -16.927 21.859 1.00 0.00 H ATOM 414 HH21 ARG A 61 -16.166 -16.145 22.060 1.00 0.00 H ATOM 415 H ARG A 61 -12.328 -16.438 14.147 1.00 0.00 H ATOM 416 N ALA A 62 -11.250 -18.843 16.213 1.00 22.20 N ATOM 417 CA ALA A 62 -10.626 -20.064 16.721 1.00 23.30 C ATOM 418 C ALA A 62 -9.112 -19.924 16.763 1.00 23.88 C ATOM 419 O ALA A 62 -8.474 -20.304 17.755 1.00 22.98 O ATOM 420 CB ALA A 62 -11.023 -21.262 15.860 1.00 24.10 C ATOM 421 H ALA A 62 -11.810 -18.876 15.337 1.00 0.00 H ATOM 422 N LEU A 63 -8.521 -19.358 15.700 1.00 21.56 N ATOM 423 CA LEU A 63 -7.067 -19.195 15.653 1.00 18.36 C ATOM 424 C LEU A 63 -6.590 -18.199 16.699 1.00 20.58 C ATOM 425 O LEU A 63 -5.511 -18.369 17.280 1.00 21.94 O ATOM 426 CB LEU A 63 -6.637 -18.749 14.250 1.00 17.62 C ATOM 427 CG LEU A 63 -6.872 -19.788 13.140 1.00 22.68 C ATOM 428 CD1 LEU A 63 -6.642 -19.180 11.758 1.00 23.07 C ATOM 429 CD2 LEU A 63 -5.958 -21.008 13.348 1.00 28.38 C ATOM 430 H LEU A 63 -9.102 -19.032 14.901 1.00 0.00 H ATOM 431 N MET A 64 -7.363 -17.135 16.923 1.00 18.98 N ATOM 432 CA MET A 64 -7.022 -16.169 17.958 1.00 17.21 C ATOM 433 C MET A 64 -7.073 -16.820 19.329 1.00 21.25 C ATOM 434 O MET A 64 -6.176 -16.635 20.159 1.00 20.44 O ATOM 435 CB MET A 64 -7.997 -14.985 17.888 1.00 18.10 C ATOM 436 CG MET A 64 -7.914 -14.025 19.054 1.00 23.39 C ATOM 437 SD MET A 64 -9.205 -12.749 18.888 1.00 31.49 S ATOM 438 CE MET A 64 -10.665 -13.688 19.375 1.00 36.14 C ATOM 439 H MET A 64 -8.220 -16.994 16.351 1.00 0.00 H ATOM 440 N ASP A 65 -8.139 -17.577 19.589 1.00 18.36 N ATOM 441 CA ASP A 65 -8.303 -18.199 20.898 1.00 21.86 C ATOM 442 C ASP A 65 -7.144 -19.138 21.201 1.00 20.52 C ATOM 443 O ASP A 65 -6.621 -19.153 22.329 1.00 22.93 O ATOM 444 CB ASP A 65 -9.634 -18.955 20.945 1.00 24.26 C ATOM 445 CG ASP A 65 -10.827 -18.039 21.077 1.00 33.25 C ATOM 446 OD1 ASP A 65 -10.639 -16.812 21.206 1.00 34.88 O ATOM 447 OD2 ASP A 65 -11.966 -18.550 21.035 1.00 37.69 O ATOM 448 H ASP A 65 -8.859 -17.725 18.853 1.00 0.00 H ATOM 449 N GLU A 66 -6.718 -19.922 20.201 1.00 20.63 N ATOM 450 CA GLU A 66 -5.605 -20.839 20.415 1.00 19.65 C ATOM 451 C GLU A 66 -4.323 -20.081 20.727 1.00 24.11 C ATOM 452 O GLU A 66 -3.544 -20.496 21.591 1.00 21.34 O ATOM 453 CB GLU A 66 -5.421 -21.735 19.192 1.00 24.80 C ATOM 454 CG GLU A 66 -4.575 -22.980 19.447 1.00 29.54 C ATOM 455 CD GLU A 66 -5.173 -23.917 20.488 1.00 35.79 C ATOM 456 OE1 GLU A 66 -4.402 -24.717 21.063 1.00 45.62 O ATOM 457 OE2 GLU A 66 -6.401 -23.862 20.727 1.00 35.13 O ATOM 458 H GLU A 66 -7.182 -19.876 19.271 1.00 0.00 H ATOM 459 N THR A 67 -4.087 -18.965 20.030 1.00 20.10 N ATOM 460 CA THR A 67 -2.879 -18.175 20.276 1.00 18.55 C ATOM 461 C THR A 67 -2.841 -17.659 21.705 1.00 17.78 C ATOM 462 O THR A 67 -1.800 -17.722 22.375 1.00 22.18 O ATOM 463 CB THR A 67 -2.816 -17.007 19.285 1.00 18.33 C ATOM 464 OG1 THR A 67 -2.824 -17.520 17.955 1.00 18.90 O ATOM 465 CG2 THR A 67 -1.539 -16.186 19.479 1.00 21.08 C ATOM 466 HG1 THR A 67 -3.655 -18.038 17.807 1.00 0.00 H ATOM 467 H THR A 67 -4.767 -18.655 19.307 1.00 0.00 H ATOM 468 N MET A 68 -3.959 -17.099 22.181 1.00 20.66 N ATOM 469 CA MET A 68 -3.963 -16.518 23.522 1.00 19.10 C ATOM 470 C MET A 68 -3.828 -17.602 24.587 1.00 23.07 C ATOM 471 O MET A 68 -3.177 -17.392 25.614 1.00 22.01 O ATOM 472 CB MET A 68 -5.237 -15.711 23.748 1.00 21.06 C ATOM 473 CG MET A 68 -5.412 -14.541 22.782 1.00 21.78 C ATOM 474 SD MET A 68 -4.020 -13.398 22.807 1.00 27.49 S ATOM 475 CE MET A 68 -4.263 -12.720 24.449 1.00 28.45 C ATOM 476 H MET A 68 -4.821 -17.077 21.600 1.00 0.00 H ATOM 477 N LYS A 69 -4.450 -18.764 24.362 1.00 20.63 N ATOM 478 CA LYS A 69 -4.287 -19.898 25.277 1.00 20.36 C ATOM 479 C LYS A 69 -2.830 -20.334 25.369 1.00 25.71 C ATOM 480 O LYS A 69 -2.308 -20.592 26.465 1.00 23.71 O ATOM 481 CB LYS A 69 -5.165 -21.056 24.804 1.00 24.49 C ATOM 482 CG LYS A 69 -5.135 -22.270 25.691 1.00 37.78 C ATOM 483 CD LYS A 69 -6.446 -23.044 25.591 1.00 50.62 C ATOM 484 CE LYS A 69 -6.485 -23.953 24.374 1.00 58.42 C ATOM 485 NZ LYS A 69 -7.387 -25.128 24.602 1.00 65.03 N ATOM 486 HZ1 LYS A 69 -7.041 -25.677 25.415 1.00 0.00 H ATOM 487 HZ2 LYS A 69 -8.352 -24.791 24.795 1.00 0.00 H ATOM 488 HZ3 LYS A 69 -7.392 -25.729 23.753 1.00 0.00 H ATOM 489 H LYS A 69 -5.059 -18.865 23.525 1.00 0.00 H ATOM 490 N GLU A 70 -2.158 -20.451 24.224 1.00 20.46 N ATOM 491 CA GLU A 70 -0.764 -20.879 24.254 1.00 19.32 C ATOM 492 C GLU A 70 0.120 -19.817 24.893 1.00 20.49 C ATOM 493 O GLU A 70 1.065 -20.144 25.621 1.00 22.72 O ATOM 494 CB GLU A 70 -0.290 -21.206 22.839 1.00 20.08 C ATOM 495 CG GLU A 70 -0.981 -22.431 22.233 1.00 22.37 C ATOM 496 CD GLU A 70 -0.671 -23.727 22.997 1.00 36.97 C ATOM 497 OE1 GLU A 70 0.393 -23.783 23.664 1.00 35.77 O ATOM 498 OE2 GLU A 70 -1.479 -24.688 22.921 1.00 35.72 O ATOM 499 H GLU A 70 -2.623 -20.239 23.318 1.00 0.00 H ATOM 500 N LEU A 71 -0.171 -18.538 24.640 1.00 20.04 N ATOM 501 CA LEU A 71 0.605 -17.468 25.267 1.00 21.33 C ATOM 502 C LEU A 71 0.517 -17.547 26.789 1.00 22.68 C ATOM 503 O LEU A 71 1.527 -17.418 27.496 1.00 25.91 O ATOM 504 CB LEU A 71 0.082 -16.116 24.788 1.00 23.11 C ATOM 505 CG LEU A 71 0.935 -15.170 23.956 1.00 34.98 C ATOM 506 CD1 LEU A 71 0.154 -13.848 23.782 1.00 24.59 C ATOM 507 CD2 LEU A 71 2.313 -14.959 24.581 1.00 27.78 C ATOM 508 H LEU A 71 -0.952 -18.302 23.995 1.00 0.00 H ATOM 509 N LYS A 72 -0.696 -17.715 27.312 1.00 22.98 N ATOM 510 CA LYS A 72 -0.881 -17.775 28.763 1.00 23.45 C ATOM 511 C LYS A 72 -0.130 -18.960 29.358 1.00 27.04 C ATOM 512 O LYS A 72 0.515 -18.841 30.407 1.00 26.92 O ATOM 513 CB LYS A 72 -2.374 -17.864 29.111 1.00 31.33 C ATOM 514 CG LYS A 72 -3.216 -16.710 28.586 1.00 43.24 C ATOM 515 CD LYS A 72 -4.256 -16.215 29.576 1.00 57.87 C ATOM 516 CE LYS A 72 -4.877 -14.894 29.101 1.00 56.26 C ATOM 517 NZ LYS A 72 -5.610 -15.081 27.816 1.00 54.80 N ATOM 518 HZ1 LYS A 72 -4.950 -15.421 27.088 1.00 0.00 H ATOM 519 HZ2 LYS A 72 -6.370 -15.779 27.950 1.00 0.00 H ATOM 520 HZ3 LYS A 72 -6.020 -14.173 27.517 1.00 0.00 H ATOM 521 H LYS A 72 -1.520 -17.804 26.684 1.00 0.00 H ATOM 522 N ALA A 73 -0.196 -20.115 28.694 1.00 22.83 N ATOM 523 CA ALA A 73 0.536 -21.279 29.188 1.00 22.09 C ATOM 524 C ALA A 73 2.039 -21.063 29.113 1.00 26.76 C ATOM 525 O ALA A 73 2.769 -21.497 30.008 1.00 24.19 O ATOM 526 CB ALA A 73 0.137 -22.529 28.404 1.00 25.57 C ATOM 527 H ALA A 73 -0.767 -20.187 27.827 1.00 0.00 H ATOM 528 N TYR A 74 2.526 -20.409 28.048 1.00 21.16 N ATOM 529 CA TYR A 74 3.957 -20.136 27.931 1.00 21.69 C ATOM 530 C TYR A 74 4.444 -19.240 29.064 1.00 24.49 C ATOM 531 O TYR A 74 5.474 -19.520 29.694 1.00 24.27 O ATOM 532 CB TYR A 74 4.257 -19.482 26.583 1.00 20.80 C ATOM 533 CG TYR A 74 5.726 -19.277 26.302 1.00 20.76 C ATOM 534 CD1 TYR A 74 6.632 -20.332 26.401 1.00 26.20 C ATOM 535 CD2 TYR A 74 6.206 -18.043 25.909 1.00 20.18 C ATOM 536 CE1 TYR A 74 7.972 -20.146 26.127 1.00 29.05 C ATOM 537 CE2 TYR A 74 7.549 -17.855 25.625 1.00 23.90 C ATOM 538 CZ TYR A 74 8.422 -18.907 25.740 1.00 29.63 C ATOM 539 OH TYR A 74 9.753 -18.707 25.460 1.00 30.13 O ATOM 540 HH TYR A 74 10.247 -19.555 25.589 1.00 0.00 H ATOM 541 H TYR A 74 1.879 -20.093 27.298 1.00 0.00 H ATOM 542 N LYS A 75 3.737 -18.129 29.314 1.00 23.44 N ATOM 543 CA LYS A 75 4.111 -17.271 30.438 1.00 25.30 C ATOM 544 C LYS A 75 4.143 -18.063 31.738 1.00 25.93 C ATOM 545 O LYS A 75 5.067 -17.912 32.541 1.00 26.09 O ATOM 546 CB LYS A 75 3.144 -16.088 30.582 1.00 24.03 C ATOM 547 CG LYS A 75 3.585 -15.057 31.639 1.00 32.28 C ATOM 548 CD LYS A 75 2.637 -13.854 31.702 1.00 37.03 C ATOM 549 CE LYS A 75 3.095 -12.820 32.736 1.00 39.66 C ATOM 550 NZ LYS A 75 2.740 -13.198 34.134 1.00 48.87 N ATOM 551 HZ1 LYS A 75 1.707 -13.291 34.215 1.00 0.00 H ATOM 552 HZ2 LYS A 75 3.191 -14.105 34.372 1.00 0.00 H ATOM 553 HZ3 LYS A 75 3.075 -12.461 34.787 1.00 0.00 H ATOM 554 H LYS A 75 2.927 -17.878 28.712 1.00 0.00 H ATOM 555 N SER A 76 3.142 -18.918 31.951 1.00 23.33 N ATOM 556 CA SER A 76 3.086 -19.728 33.169 1.00 25.04 C ATOM 557 C SER A 76 4.313 -20.624 33.313 1.00 26.69 C ATOM 558 O SER A 76 4.863 -20.759 34.413 1.00 25.88 O ATOM 559 CB SER A 76 1.804 -20.562 33.175 1.00 32.38 C ATOM 560 OG SER A 76 1.733 -21.405 34.318 1.00 33.29 O ATOM 561 HG SER A 76 0.893 -21.928 34.289 1.00 0.00 H ATOM 562 H SER A 76 2.389 -19.011 31.240 1.00 0.00 H ATOM 563 N GLU A 77 4.768 -21.244 32.221 1.00 23.63 N ATOM 564 CA GLU A 77 5.942 -22.112 32.326 1.00 26.16 C ATOM 565 C GLU A 77 7.227 -21.301 32.460 1.00 28.41 C ATOM 566 O GLU A 77 8.163 -21.729 33.144 1.00 25.96 O ATOM 567 CB GLU A 77 6.010 -23.064 31.125 1.00 25.45 C ATOM 568 CG GLU A 77 4.810 -24.004 31.098 1.00 25.73 C ATOM 569 CD GLU A 77 4.877 -25.053 30.003 1.00 31.45 C ATOM 570 OE1 GLU A 77 5.967 -25.278 29.428 1.00 30.28 O ATOM 571 OE2 GLU A 77 3.816 -25.650 29.725 1.00 31.64 O ATOM 572 H GLU A 77 4.293 -21.111 31.305 1.00 0.00 H ATOM 573 N LEU A 78 7.301 -20.133 31.809 1.00 23.38 N ATOM 574 CA LEU A 78 8.462 -19.267 32.005 1.00 24.44 C ATOM 575 C LEU A 78 8.640 -18.921 33.472 1.00 24.58 C ATOM 576 O LEU A 78 9.768 -18.743 33.935 1.00 30.92 O ATOM 577 CB LEU A 78 8.330 -17.968 31.197 1.00 24.66 C ATOM 578 CG LEU A 78 8.569 -17.970 29.684 1.00 27.66 C ATOM 579 CD1 LEU A 78 8.536 -16.542 29.136 1.00 29.36 C ATOM 580 CD2 LEU A 78 9.879 -18.636 29.317 1.00 26.19 C ATOM 581 H LEU A 78 6.536 -19.843 31.167 1.00 0.00 H ATOM 582 N GLU A 79 7.546 -18.813 34.218 1.00 21.33 N ATOM 583 CA GLU A 79 7.674 -18.375 35.599 1.00 26.54 C ATOM 584 C GLU A 79 8.234 -19.463 36.504 1.00 35.96 C ATOM 585 O GLU A 79 8.451 -19.209 37.695 1.00 32.07 O ATOM 586 CB GLU A 79 6.331 -17.863 36.105 1.00 32.89 C ATOM 587 CG GLU A 79 6.102 -16.424 35.632 1.00 37.14 C ATOM 588 CD GLU A 79 4.645 -16.055 35.493 1.00 43.07 C ATOM 589 OE1 GLU A 79 3.780 -16.918 35.772 1.00 41.08 O ATOM 590 OE2 GLU A 79 4.371 -14.893 35.107 1.00 46.39 O ATOM 591 H GLU A 79 6.612 -19.038 33.820 1.00 0.00 H ATOM 592 N GLU A 80 8.508 -20.645 35.955 1.00 27.30 N ATOM 593 CA GLU A 80 9.188 -21.714 36.674 1.00 30.03 C ATOM 594 C GLU A 80 10.703 -21.610 36.616 1.00 37.85 C ATOM 595 O GLU A 80 11.385 -22.324 37.362 1.00 39.77 O ATOM 596 CB GLU A 80 8.760 -23.071 36.112 1.00 25.87 C ATOM 597 CG GLU A 80 7.287 -23.337 36.314 1.00 22.54 C ATOM 598 CD GLU A 80 6.911 -23.438 37.781 1.00 34.00 C ATOM 599 OE1 GLU A 80 7.680 -24.069 38.540 1.00 35.30 O ATOM 600 OE2 GLU A 80 5.857 -22.880 38.179 1.00 37.40 O ATOM 601 H GLU A 80 8.224 -20.812 34.969 1.00 0.00 H ATOM 602 N GLN A 81 11.253 -20.764 35.745 1.00 35.77 N ATOM 603 CA GLN A 81 12.701 -20.651 35.579 1.00 42.41 C ATOM 604 C GLN A 81 13.090 -19.172 35.549 1.00 39.54 C ATOM 605 O GLN A 81 13.703 -18.674 34.607 1.00 39.34 O ATOM 606 CB GLN A 81 13.162 -21.395 34.326 1.00 46.03 C ATOM 607 CG GLN A 81 12.800 -22.890 34.362 1.00 51.47 C ATOM 608 CD GLN A 81 13.971 -23.809 34.063 1.00 57.52 C ATOM 609 OE1 GLN A 81 13.942 -24.583 33.102 1.00 61.72 O ATOM 610 NE2 GLN A 81 15.004 -23.737 34.892 1.00 58.04 N ATOM 611 HE22 GLN A 81 14.985 -23.070 35.689 1.00 0.00 H ATOM 612 HE21 GLN A 81 15.833 -24.348 34.745 1.00 0.00 H ATOM 613 H GLN A 81 10.632 -20.165 35.165 1.00 0.00 H ATOM 614 N LEU A 82 12.714 -18.464 36.610 1.00 39.56 N ATOM 615 CA LEU A 82 12.989 -17.042 36.747 1.00 41.30 C ATOM 616 C LEU A 82 14.311 -16.807 37.468 1.00 51.34 C ATOM 617 O LEU A 82 14.650 -17.517 38.420 1.00 53.75 O ATOM 618 CB LEU A 82 11.865 -16.353 37.524 1.00 43.85 C ATOM 619 CG LEU A 82 10.481 -16.284 36.881 1.00 40.41 C ATOM 620 CD1 LEU A 82 9.454 -15.703 37.852 1.00 33.43 C ATOM 621 CD2 LEU A 82 10.538 -15.490 35.587 1.00 39.77 C ATOM 622 H LEU A 82 12.201 -18.948 37.375 1.00 0.00 H ATOM 623 N THR A 83 15.050 -15.801 37.014 1.00 51.14 N ATOM 624 CA THR A 83 16.145 -15.256 37.812 1.00 53.68 C ATOM 625 C THR A 83 15.545 -14.443 38.952 1.00 55.95 C ATOM 626 O THR A 83 14.794 -13.493 38.689 1.00 51.84 O ATOM 627 CB THR A 83 17.062 -14.375 36.968 1.00 51.46 C ATOM 628 OG1 THR A 83 17.746 -15.179 35.997 1.00 48.43 O ATOM 629 CG2 THR A 83 18.078 -13.656 37.850 1.00 54.82 C ATOM 630 HG1 THR A 83 17.083 -15.621 35.410 1.00 0.00 H ATOM 631 H THR A 83 14.846 -15.396 36.078 1.00 0.00 H ATOM 632 N PRO A 84 15.822 -14.779 40.212 1.00 60.44 N ATOM 633 CA PRO A 84 15.234 -14.018 41.330 1.00 56.19 C ATOM 634 C PRO A 84 15.736 -12.581 41.351 1.00 55.21 C ATOM 635 O PRO A 84 16.936 -12.326 41.460 1.00 57.77 O ATOM 636 CB PRO A 84 15.694 -14.799 42.568 1.00 56.05 C ATOM 637 CG PRO A 84 16.054 -16.168 42.050 1.00 60.84 C ATOM 638 CD PRO A 84 16.606 -15.935 40.681 1.00 58.48 C ATOM 639 N VAL A 85 14.801 -11.636 41.235 1.00 57.00 N ATOM 640 CA VAL A 85 15.099 -10.210 41.251 1.00 57.30 C ATOM 641 C VAL A 85 14.198 -9.528 42.277 1.00 57.49 C ATOM 642 O VAL A 85 13.354 -10.159 42.910 1.00 56.49 O ATOM 643 CB VAL A 85 14.934 -9.554 39.862 1.00 56.13 C ATOM 644 CG1 VAL A 85 15.778 -10.272 38.818 1.00 56.31 C ATOM 645 CG2 VAL A 85 13.466 -9.532 39.459 1.00 54.08 C ATOM 646 H VAL A 85 13.810 -11.932 41.128 1.00 0.00 H ATOM 647 N ALA A 86 14.389 -8.219 42.430 1.00 50.54 N ATOM 648 CA ALA A 86 13.596 -7.439 43.372 1.00 56.51 C ATOM 649 C ALA A 86 12.112 -7.580 43.065 1.00 61.84 C ATOM 650 O ALA A 86 11.704 -7.632 41.900 1.00 57.17 O ATOM 651 CB ALA A 86 14.008 -5.962 43.322 1.00 58.80 C ATOM 652 H ALA A 86 15.120 -7.743 41.865 1.00 0.00 H ATOM 653 N GLU A 87 11.300 -7.631 44.125 1.00 58.27 N ATOM 654 CA GLU A 87 9.888 -7.961 43.954 1.00 63.69 C ATOM 655 C GLU A 87 9.131 -6.844 43.249 1.00 57.51 C ATOM 656 O GLU A 87 8.188 -7.104 42.500 1.00 49.39 O ATOM 657 CB GLU A 87 9.248 -8.272 45.307 1.00 63.13 C ATOM 658 CG GLU A 87 9.361 -9.734 45.705 1.00 76.76 C ATOM 659 CD GLU A 87 9.302 -10.685 44.506 1.00 88.85 C ATOM 660 OE1 GLU A 87 8.346 -10.585 43.704 1.00 89.37 O ATOM 661 OE2 GLU A 87 10.230 -11.511 44.365 1.00 86.34 O ATOM 662 H GLU A 87 11.675 -7.435 45.075 1.00 0.00 H ATOM 663 N GLU A 88 9.508 -5.593 43.491 1.00 56.08 N ATOM 664 CA GLU A 88 8.903 -4.489 42.751 1.00 54.68 C ATOM 665 C GLU A 88 9.241 -4.570 41.267 1.00 53.50 C ATOM 666 O GLU A 88 8.421 -4.193 40.419 1.00 46.00 O ATOM 667 CB GLU A 88 9.362 -3.141 43.332 1.00 57.85 C ATOM 668 CG GLU A 88 8.851 -2.860 44.737 1.00 67.38 C ATOM 669 CD GLU A 88 9.708 -3.500 45.831 1.00 76.00 C ATOM 670 OE1 GLU A 88 9.284 -3.474 47.006 1.00 77.55 O ATOM 671 OE2 GLU A 88 10.798 -4.035 45.523 1.00 68.26 O ATOM 672 H GLU A 88 10.235 -5.400 44.209 1.00 0.00 H ATOM 673 N THR A 89 10.439 -5.062 40.936 1.00 47.31 N ATOM 674 CA THR A 89 10.825 -5.230 39.538 1.00 45.63 C ATOM 675 C THR A 89 10.025 -6.345 38.876 1.00 46.29 C ATOM 676 O THR A 89 9.461 -6.158 37.792 1.00 36.65 O ATOM 677 CB THR A 89 12.321 -5.529 39.435 1.00 54.05 C ATOM 678 OG1 THR A 89 13.069 -4.426 39.956 1.00 51.97 O ATOM 679 CG2 THR A 89 12.716 -5.776 37.979 1.00 43.49 C ATOM 680 HG1 THR A 89 14.037 -4.623 39.888 1.00 0.00 H ATOM 681 H THR A 89 11.107 -5.330 41.687 1.00 0.00 H ATOM 682 N ARG A 90 9.974 -7.518 39.516 1.00 43.40 N ATOM 683 CA ARG A 90 9.226 -8.641 38.961 1.00 40.61 C ATOM 684 C ARG A 90 7.762 -8.281 38.741 1.00 39.25 C ATOM 685 O ARG A 90 7.178 -8.633 37.708 1.00 40.76 O ATOM 686 CB ARG A 90 9.347 -9.852 39.889 1.00 44.31 C ATOM 687 CG ARG A 90 8.623 -11.104 39.404 1.00 42.43 C ATOM 688 CD ARG A 90 9.099 -11.536 38.028 1.00 39.23 C ATOM 689 NE ARG A 90 10.505 -11.935 38.020 1.00 40.00 N ATOM 690 CZ ARG A 90 11.256 -11.980 36.922 1.00 44.63 C ATOM 691 NH1 ARG A 90 10.727 -11.659 35.749 1.00 40.44 N ATOM 692 NH2 ARG A 90 12.529 -12.352 36.987 1.00 38.51 N ATOM 693 HE ARG A 90 10.944 -12.199 38.925 1.00 0.00 H ATOM 694 HH12 ARG A 90 11.310 -11.693 34.889 1.00 0.00 H ATOM 695 HH11 ARG A 90 9.729 -11.373 35.689 1.00 0.00 H ATOM 696 HH22 ARG A 90 13.106 -12.383 36.123 1.00 0.00 H ATOM 697 HH21 ARG A 90 12.949 -12.612 37.902 1.00 0.00 H ATOM 698 H ARG A 90 10.474 -7.631 40.421 1.00 0.00 H ATOM 699 N ALA A 91 7.152 -7.583 39.704 1.00 38.26 N ATOM 700 CA ALA A 91 5.749 -7.207 39.569 1.00 42.74 C ATOM 701 C ALA A 91 5.543 -6.297 38.368 1.00 36.41 C ATOM 702 O ALA A 91 4.536 -6.414 37.656 1.00 38.22 O ATOM 703 CB ALA A 91 5.258 -6.524 40.845 1.00 41.62 C ATOM 704 H ALA A 91 7.681 -7.306 40.555 1.00 0.00 H ATOM 705 N ARG A 92 6.485 -5.379 38.133 1.00 34.07 N ATOM 706 CA ARG A 92 6.385 -4.476 36.990 1.00 34.18 C ATOM 707 C ARG A 92 6.532 -5.233 35.675 1.00 34.40 C ATOM 708 O ARG A 92 5.720 -5.061 34.753 1.00 33.22 O ATOM 709 CB ARG A 92 7.447 -3.379 37.088 1.00 37.41 C ATOM 710 CG ARG A 92 7.550 -2.489 35.842 1.00 37.91 C ATOM 711 CD ARG A 92 8.615 -1.401 36.005 1.00 42.09 C ATOM 712 NE ARG A 92 9.968 -1.947 36.080 1.00 44.35 N ATOM 713 CZ ARG A 92 10.666 -2.353 35.022 1.00 49.43 C ATOM 714 NH1 ARG A 92 10.132 -2.283 33.809 1.00 50.61 N ATOM 715 NH2 ARG A 92 11.893 -2.832 35.173 1.00 45.59 N ATOM 716 HE ARG A 92 10.413 -2.023 37.017 1.00 0.00 H ATOM 717 HH12 ARG A 92 10.677 -2.600 32.982 1.00 0.00 H ATOM 718 HH11 ARG A 92 9.169 -1.911 33.686 1.00 0.00 H ATOM 719 HH22 ARG A 92 12.434 -3.148 34.343 1.00 0.00 H ATOM 720 HH21 ARG A 92 12.315 -2.892 36.122 1.00 0.00 H ATOM 721 H ARG A 92 7.301 -5.307 38.773 1.00 0.00 H ATOM 722 N LEU A 93 7.575 -6.063 35.561 1.00 32.09 N ATOM 723 CA LEU A 93 7.788 -6.810 34.321 1.00 32.09 C ATOM 724 C LEU A 93 6.601 -7.708 34.008 1.00 33.29 C ATOM 725 O LEU A 93 6.234 -7.882 32.840 1.00 27.84 O ATOM 726 CB LEU A 93 9.071 -7.638 34.415 1.00 34.80 C ATOM 727 CG LEU A 93 10.352 -6.809 34.506 1.00 40.77 C ATOM 728 CD1 LEU A 93 11.540 -7.710 34.829 1.00 43.01 C ATOM 729 CD2 LEU A 93 10.575 -6.026 33.220 1.00 38.56 C ATOM 730 H LEU A 93 8.236 -6.178 36.356 1.00 0.00 H ATOM 731 N SER A 94 5.989 -8.289 35.038 1.00 29.11 N ATOM 732 CA SER A 94 4.836 -9.153 34.817 1.00 31.71 C ATOM 733 C SER A 94 3.632 -8.358 34.332 1.00 36.47 C ATOM 734 O SER A 94 2.900 -8.803 33.438 1.00 33.78 O ATOM 735 CB SER A 94 4.497 -9.898 36.103 1.00 32.82 C ATOM 736 OG SER A 94 3.281 -10.611 35.948 1.00 36.50 O ATOM 737 HG SER A 94 3.071 -11.090 36.789 1.00 0.00 H ATOM 738 H SER A 94 6.335 -8.126 36.005 1.00 0.00 H ATOM 739 N LYS A 95 3.408 -7.182 34.915 1.00 31.98 N ATOM 740 CA LYS A 95 2.313 -6.337 34.459 1.00 30.73 C ATOM 741 C LYS A 95 2.558 -5.826 33.045 1.00 29.40 C ATOM 742 O LYS A 95 1.614 -5.727 32.249 1.00 29.82 O ATOM 743 CB LYS A 95 2.117 -5.174 35.433 1.00 35.60 C ATOM 744 CG LYS A 95 0.921 -4.283 35.105 1.00 45.44 C ATOM 745 CD LYS A 95 0.755 -3.149 36.119 1.00 57.27 C ATOM 746 CE LYS A 95 0.074 -3.640 37.402 1.00 61.96 C ATOM 747 NZ LYS A 95 -1.269 -4.279 37.169 1.00 61.72 N ATOM 748 HZ1 LYS A 95 -1.907 -3.589 36.724 1.00 0.00 H ATOM 749 HZ2 LYS A 95 -1.156 -5.102 36.544 1.00 0.00 H ATOM 750 HZ3 LYS A 95 -1.668 -4.586 38.079 1.00 0.00 H ATOM 751 H LYS A 95 4.016 -6.866 35.697 1.00 0.00 H ATOM 752 N GLU A 96 3.810 -5.479 32.717 1.00 28.31 N ATOM 753 CA GLU A 96 4.127 -5.046 31.354 1.00 27.12 C ATOM 754 C GLU A 96 3.926 -6.187 30.364 1.00 33.46 C ATOM 755 O GLU A 96 3.497 -5.966 29.218 1.00 27.13 O ATOM 756 CB GLU A 96 5.566 -4.524 31.272 1.00 33.59 C ATOM 757 CG GLU A 96 5.799 -3.156 31.950 1.00 36.24 C ATOM 758 CD GLU A 96 7.272 -2.756 31.989 1.00 48.74 C ATOM 759 OE1 GLU A 96 8.111 -3.529 31.470 1.00 45.75 O ATOM 760 OE2 GLU A 96 7.595 -1.672 32.539 1.00 47.37 O ATOM 761 H GLU A 96 4.562 -5.517 33.435 1.00 0.00 H ATOM 762 N LEU A 97 4.230 -7.417 30.790 1.00 26.11 N ATOM 763 CA LEU A 97 4.012 -8.563 29.914 1.00 29.12 C ATOM 764 C LEU A 97 2.526 -8.839 29.739 1.00 29.86 C ATOM 765 O LEU A 97 2.075 -9.180 28.637 1.00 31.06 O ATOM 766 CB LEU A 97 4.744 -9.787 30.470 1.00 28.50 C ATOM 767 CG LEU A 97 4.684 -11.046 29.616 1.00 33.42 C ATOM 768 CD1 LEU A 97 5.126 -10.742 28.187 1.00 31.90 C ATOM 769 CD2 LEU A 97 5.582 -12.110 30.249 1.00 35.18 C ATOM 770 H LEU A 97 4.621 -7.557 31.744 1.00 0.00 H ATOM 771 N GLN A 98 1.738 -8.670 30.800 1.00 26.25 N ATOM 772 CA GLN A 98 0.305 -8.886 30.646 1.00 29.64 C ATOM 773 C GLN A 98 -0.310 -7.828 29.737 1.00 27.45 C ATOM 774 O GLN A 98 -1.203 -8.137 28.946 1.00 28.48 O ATOM 775 CB GLN A 98 -0.389 -8.917 32.006 1.00 39.84 C ATOM 776 CG GLN A 98 -0.015 -10.150 32.823 1.00 45.26 C ATOM 777 CD GLN A 98 -0.605 -10.145 34.229 1.00 63.11 C ATOM 778 OE1 GLN A 98 -1.813 -10.327 34.407 1.00 62.30 O ATOM 779 NE2 GLN A 98 0.246 -9.919 35.236 1.00 59.45 N ATOM 780 HE22 GLN A 98 1.256 -9.771 35.040 1.00 0.00 H ATOM 781 HE21 GLN A 98 -0.103 -9.891 36.215 1.00 0.00 H ATOM 782 H GLN A 98 2.137 -8.390 31.719 1.00 0.00 H ATOM 783 N ALA A 99 0.177 -6.585 29.802 1.00 28.51 N ATOM 784 CA ALA A 99 -0.341 -5.554 28.902 1.00 25.81 C ATOM 785 C ALA A 99 0.018 -5.866 27.456 1.00 29.37 C ATOM 786 O ALA A 99 -0.791 -5.640 26.548 1.00 26.75 O ATOM 787 CB ALA A 99 0.192 -4.173 29.291 1.00 28.12 C ATOM 788 H ALA A 99 0.921 -6.351 30.490 1.00 0.00 H ATOM 789 N ALA A 100 1.221 -6.403 27.225 1.00 22.55 N ATOM 790 CA ALA A 100 1.627 -6.736 25.863 1.00 25.10 C ATOM 791 C ALA A 100 0.825 -7.906 25.313 1.00 26.62 C ATOM 792 O ALA A 100 0.518 -7.938 24.113 1.00 24.99 O ATOM 793 CB ALA A 100 3.127 -7.043 25.804 1.00 23.43 C ATOM 794 H ALA A 100 1.869 -6.584 28.018 1.00 0.00 H ATOM 795 N GLN A 101 0.503 -8.897 26.155 1.00 23.76 N ATOM 796 CA GLN A 101 -0.405 -9.957 25.723 1.00 22.51 C ATOM 797 C GLN A 101 -1.766 -9.392 25.369 1.00 27.23 C ATOM 798 O GLN A 101 -2.368 -9.770 24.353 1.00 25.17 O ATOM 799 CB GLN A 101 -0.595 -10.992 26.828 1.00 27.32 C ATOM 800 CG GLN A 101 0.584 -11.859 27.134 1.00 32.97 C ATOM 801 CD GLN A 101 0.342 -12.645 28.412 1.00 44.80 C ATOM 802 OE1 GLN A 101 0.920 -12.343 29.459 1.00 46.66 O ATOM 803 NE2 GLN A 101 -0.541 -13.637 28.338 1.00 36.66 N ATOM 804 HE22 GLN A 101 -1.003 -13.855 27.432 1.00 0.00 H ATOM 805 HE21 GLN A 101 -0.769 -14.195 29.186 1.00 0.00 H ATOM 806 H GLN A 101 0.899 -8.912 27.116 1.00 0.00 H ATOM 807 N ALA A 102 -2.280 -8.500 26.223 1.00 24.79 N ATOM 808 CA ALA A 102 -3.593 -7.907 25.992 1.00 30.41 C ATOM 809 C ALA A 102 -3.646 -7.154 24.669 1.00 23.62 C ATOM 810 O ALA A 102 -4.662 -7.210 23.959 1.00 28.01 O ATOM 811 CB ALA A 102 -3.957 -6.976 27.149 1.00 27.85 C ATOM 812 H ALA A 102 -1.735 -8.225 27.065 1.00 0.00 H ATOM 813 N ARG A 103 -2.579 -6.420 24.330 1.00 23.52 N ATOM 814 CA ARG A 103 -2.571 -5.675 23.076 1.00 26.15 C ATOM 815 C ARG A 103 -2.661 -6.623 21.894 1.00 22.41 C ATOM 816 O ARG A 103 -3.378 -6.351 20.925 1.00 22.20 O ATOM 817 CB ARG A 103 -1.311 -4.812 22.952 1.00 29.01 C ATOM 818 CG ARG A 103 -1.462 -3.421 23.561 1.00 36.40 C ATOM 819 CD ARG A 103 -0.297 -2.507 23.234 1.00 36.64 C ATOM 820 NE ARG A 103 0.977 -2.986 23.772 1.00 49.06 N ATOM 821 CZ ARG A 103 1.440 -2.697 24.990 1.00 44.24 C ATOM 822 NH1 ARG A 103 0.735 -1.935 25.817 1.00 48.53 N ATOM 823 NH2 ARG A 103 2.613 -3.177 25.382 1.00 42.18 N ATOM 824 HE ARG A 103 1.562 -3.593 23.163 1.00 0.00 H ATOM 825 HH12 ARG A 103 1.104 -1.715 26.764 1.00 0.00 H ATOM 826 HH11 ARG A 103 -0.187 -1.557 25.518 1.00 0.00 H ATOM 827 HH22 ARG A 103 2.976 -2.953 26.331 1.00 0.00 H ATOM 828 HH21 ARG A 103 3.170 -3.777 24.741 1.00 0.00 H ATOM 829 H ARG A 103 -1.754 -6.381 24.962 1.00 0.00 H ATOM 830 N LEU A 104 -1.951 -7.751 21.969 1.00 20.04 N ATOM 831 CA LEU A 104 -2.004 -8.714 20.874 1.00 20.42 C ATOM 832 C LEU A 104 -3.415 -9.239 20.683 1.00 20.46 C ATOM 833 O LEU A 104 -3.899 -9.326 19.554 1.00 20.32 O ATOM 834 CB LEU A 104 -1.037 -9.865 21.119 1.00 23.35 C ATOM 835 CG LEU A 104 -0.825 -10.754 19.891 1.00 22.44 C ATOM 836 CD1 LEU A 104 0.226 -10.132 19.018 1.00 26.64 C ATOM 837 CD2 LEU A 104 -0.386 -12.135 20.302 1.00 22.17 C ATOM 838 H LEU A 104 -1.362 -7.943 22.805 1.00 0.00 H ATOM 839 N GLY A 105 -4.090 -9.600 21.775 1.00 21.25 N ATOM 840 CA GLY A 105 -5.449 -10.104 21.653 1.00 22.13 C ATOM 841 C GLY A 105 -6.409 -9.060 21.115 1.00 24.54 C ATOM 842 O GLY A 105 -7.293 -9.369 20.308 1.00 22.23 O ATOM 843 H GLY A 105 -3.646 -9.521 22.712 1.00 0.00 H ATOM 844 N ALA A 106 -6.234 -7.803 21.540 1.00 19.24 N ATOM 845 CA ALA A 106 -7.069 -6.719 21.030 1.00 22.46 C ATOM 846 C ALA A 106 -6.824 -6.490 19.547 1.00 20.76 C ATOM 847 O ALA A 106 -7.753 -6.165 18.796 1.00 22.97 O ATOM 848 CB ALA A 106 -6.789 -5.434 21.812 1.00 27.19 C ATOM 849 H ALA A 106 -5.495 -7.596 22.242 1.00 0.00 H ATOM 850 N ASP A 107 -5.572 -6.621 19.113 1.00 17.72 N ATOM 851 CA ASP A 107 -5.269 -6.461 17.692 1.00 17.34 C ATOM 852 C ASP A 107 -6.009 -7.484 16.854 1.00 21.32 C ATOM 853 O ASP A 107 -6.560 -7.156 15.793 1.00 19.24 O ATOM 854 CB ASP A 107 -3.779 -6.631 17.447 1.00 18.35 C ATOM 855 CG ASP A 107 -2.945 -5.528 18.031 1.00 24.26 C ATOM 856 OD1 ASP A 107 -3.464 -4.441 18.376 1.00 20.91 O ATOM 857 OD2 ASP A 107 -1.724 -5.788 18.125 1.00 21.34 O ATOM 858 H ASP A 107 -4.809 -6.837 19.786 1.00 0.00 H ATOM 859 N MET A 108 -5.957 -8.753 17.275 1.00 20.59 N ATOM 860 CA MET A 108 -6.640 -9.810 16.525 1.00 15.88 C ATOM 861 C MET A 108 -8.150 -9.605 16.545 1.00 21.78 C ATOM 862 O MET A 108 -8.827 -9.827 15.538 1.00 18.70 O ATOM 863 CB MET A 108 -6.249 -11.176 17.092 1.00 19.19 C ATOM 864 CG MET A 108 -4.763 -11.487 16.977 1.00 17.15 C ATOM 865 SD MET A 108 -4.327 -13.173 17.546 1.00 24.09 S ATOM 866 CE MET A 108 -4.114 -12.902 19.294 1.00 23.47 C ATOM 867 H MET A 108 -5.429 -8.990 18.139 1.00 0.00 H ATOM 868 N GLU A 109 -8.700 -9.141 17.666 1.00 19.50 N ATOM 869 CA GLU A 109 -10.128 -8.846 17.694 1.00 22.98 C ATOM 870 C GLU A 109 -10.474 -7.662 16.792 1.00 21.07 C ATOM 871 O GLU A 109 -11.552 -7.639 16.182 1.00 22.30 O ATOM 872 CB GLU A 109 -10.571 -8.578 19.136 1.00 25.72 C ATOM 873 CG GLU A 109 -12.044 -8.292 19.274 1.00 34.08 C ATOM 874 CD GLU A 109 -12.913 -9.339 18.584 1.00 42.97 C ATOM 875 OE1 GLU A 109 -12.592 -10.551 18.677 1.00 35.10 O ATOM 876 OE2 GLU A 109 -13.921 -8.944 17.948 1.00 42.32 O ATOM 877 H GLU A 109 -8.116 -8.990 18.514 1.00 0.00 H ATOM 878 N ASP A 110 -9.596 -6.654 16.716 1.00 21.32 N ATOM 879 CA ASP A 110 -9.847 -5.523 15.820 1.00 20.60 C ATOM 880 C ASP A 110 -9.917 -5.989 14.369 1.00 21.08 C ATOM 881 O ASP A 110 -10.706 -5.467 13.575 1.00 22.19 O ATOM 882 CB ASP A 110 -8.753 -4.453 15.965 1.00 22.85 C ATOM 883 CG ASP A 110 -8.878 -3.638 17.256 1.00 33.13 C ATOM 884 OD1 ASP A 110 -9.968 -3.660 17.870 1.00 31.05 O ATOM 885 OD2 ASP A 110 -7.879 -2.977 17.644 1.00 30.39 O ATOM 886 H ASP A 110 -8.733 -6.674 17.295 1.00 0.00 H ATOM 887 N VAL A 111 -9.090 -6.966 14.009 1.00 18.62 N ATOM 888 CA VAL A 111 -9.156 -7.528 12.661 1.00 16.79 C ATOM 889 C VAL A 111 -10.499 -8.205 12.434 1.00 22.00 C ATOM 890 O VAL A 111 -11.180 -7.947 11.436 1.00 21.16 O ATOM 891 CB VAL A 111 -7.991 -8.508 12.442 1.00 18.41 C ATOM 892 CG1 VAL A 111 -8.221 -9.354 11.175 1.00 25.65 C ATOM 893 CG2 VAL A 111 -6.688 -7.724 12.333 1.00 19.73 C ATOM 894 H VAL A 111 -8.393 -7.332 14.689 1.00 0.00 H ATOM 895 N ARG A 112 -10.896 -9.096 13.347 1.00 19.18 N ATOM 896 CA ARG A 112 -12.190 -9.753 13.210 1.00 20.30 C ATOM 897 C ARG A 112 -13.316 -8.733 13.095 1.00 20.93 C ATOM 898 O ARG A 112 -14.202 -8.867 12.247 1.00 21.36 O ATOM 899 CB ARG A 112 -12.463 -10.669 14.399 1.00 23.95 C ATOM 900 CG ARG A 112 -11.553 -11.847 14.544 1.00 35.77 C ATOM 901 CD ARG A 112 -12.121 -12.756 15.635 1.00 40.96 C ATOM 902 NE ARG A 112 -13.502 -13.149 15.334 1.00 35.69 N ATOM 903 CZ ARG A 112 -14.572 -12.731 15.999 1.00 42.00 C ATOM 904 NH1 ARG A 112 -14.435 -11.892 17.013 1.00 40.26 N ATOM 905 NH2 ARG A 112 -15.781 -13.156 15.644 1.00 43.98 N ATOM 906 HE ARG A 112 -13.654 -13.804 14.540 1.00 0.00 H ATOM 907 HH12 ARG A 112 -15.273 -11.565 17.534 1.00 0.00 H ATOM 908 HH11 ARG A 112 -13.489 -11.560 17.289 1.00 0.00 H ATOM 909 HH22 ARG A 112 -16.620 -12.829 16.164 1.00 0.00 H ATOM 910 HH21 ARG A 112 -15.887 -13.815 14.846 1.00 0.00 H ATOM 911 H ARG A 112 -10.282 -9.321 14.156 1.00 0.00 H ATOM 912 N GLY A 113 -13.301 -7.703 13.954 1.00 20.53 N ATOM 913 CA GLY A 113 -14.374 -6.713 13.925 1.00 22.63 C ATOM 914 C GLY A 113 -14.464 -5.970 12.605 1.00 22.55 C ATOM 915 O GLY A 113 -15.559 -5.631 12.143 1.00 23.93 O ATOM 916 H GLY A 113 -12.525 -7.609 14.641 1.00 0.00 H ATOM 917 N ARG A 114 -13.315 -5.691 11.982 1.00 19.38 N ATOM 918 CA ARG A 114 -13.327 -5.004 10.698 1.00 18.40 C ATOM 919 C ARG A 114 -13.929 -5.887 9.617 1.00 19.16 C ATOM 920 O ARG A 114 -14.585 -5.378 8.697 1.00 20.51 O ATOM 921 CB ARG A 114 -11.902 -4.577 10.323 1.00 18.51 C ATOM 922 CG ARG A 114 -11.779 -3.755 9.040 1.00 18.01 C ATOM 923 CD ARG A 114 -12.715 -2.538 9.071 1.00 22.48 C ATOM 924 NE ARG A 114 -12.634 -1.767 7.829 1.00 21.36 N ATOM 925 CZ ARG A 114 -13.417 -1.974 6.777 1.00 25.63 C ATOM 926 NH1 ARG A 114 -14.336 -2.940 6.807 1.00 19.95 N ATOM 927 NH2 ARG A 114 -13.283 -1.215 5.694 1.00 24.34 N ATOM 928 HE ARG A 114 -11.921 -1.013 7.767 1.00 0.00 H ATOM 929 HH12 ARG A 114 -14.949 -3.101 5.982 1.00 0.00 H ATOM 930 HH11 ARG A 114 -14.440 -3.533 7.655 1.00 0.00 H ATOM 931 HH22 ARG A 114 -13.895 -1.375 4.868 1.00 0.00 H ATOM 932 HH21 ARG A 114 -12.566 -0.462 5.672 1.00 0.00 H ATOM 933 H ARG A 114 -12.410 -5.965 12.415 1.00 0.00 H ATOM 934 N LEU A 115 -13.735 -7.208 9.722 1.00 18.40 N ATOM 935 CA LEU A 115 -14.291 -8.108 8.721 1.00 17.19 C ATOM 936 C LEU A 115 -15.782 -8.323 8.936 1.00 22.14 C ATOM 937 O LEU A 115 -16.515 -8.539 7.965 1.00 24.15 O ATOM 938 CB LEU A 115 -13.534 -9.438 8.726 1.00 18.97 C ATOM 939 CG LEU A 115 -12.067 -9.220 8.339 1.00 18.69 C ATOM 940 CD1 LEU A 115 -11.220 -10.451 8.591 1.00 24.24 C ATOM 941 CD2 LEU A 115 -11.946 -8.835 6.862 1.00 21.39 C ATOM 942 H LEU A 115 -13.187 -7.591 10.519 1.00 0.00 H ATOM 943 N VAL A 116 -16.241 -8.266 10.193 1.00 20.81 N ATOM 944 CA VAL A 116 -17.679 -8.255 10.465 1.00 22.00 C ATOM 945 C VAL A 116 -18.319 -7.005 9.878 1.00 21.47 C ATOM 946 O VAL A 116 -19.399 -7.062 9.266 1.00 24.36 O ATOM 947 CB VAL A 116 -17.931 -8.348 11.983 1.00 23.45 C ATOM 948 CG1 VAL A 116 -19.405 -8.111 12.285 1.00 24.86 C ATOM 949 CG2 VAL A 116 -17.464 -9.695 12.509 1.00 23.17 C ATOM 950 H VAL A 116 -15.568 -8.229 10.985 1.00 0.00 H ATOM 951 N GLN A 117 -17.675 -5.851 10.070 1.00 20.41 N ATOM 952 CA GLN A 117 -18.153 -4.602 9.483 1.00 20.09 C ATOM 953 C GLN A 117 -18.318 -4.727 7.973 1.00 23.46 C ATOM 954 O GLN A 117 -19.332 -4.301 7.407 1.00 22.86 O ATOM 955 CB GLN A 117 -17.179 -3.473 9.816 1.00 20.46 C ATOM 956 CG GLN A 117 -17.522 -2.145 9.184 1.00 24.97 C ATOM 957 CD GLN A 117 -16.426 -1.122 9.383 1.00 34.44 C ATOM 958 OE1 GLN A 117 -15.691 -1.180 10.368 1.00 38.52 O ATOM 959 NE2 GLN A 117 -16.301 -0.187 8.446 1.00 37.29 N ATOM 960 HE22 GLN A 117 -16.946 -0.178 7.631 1.00 0.00 H ATOM 961 HE21 GLN A 117 -15.558 0.536 8.529 1.00 0.00 H ATOM 962 H GLN A 117 -16.813 -5.841 10.651 1.00 0.00 H ATOM 963 N TYR A 118 -17.332 -5.318 7.307 1.00 22.19 N ATOM 964 CA TYR A 118 -17.403 -5.467 5.859 1.00 21.50 C ATOM 965 C TYR A 118 -18.655 -6.238 5.446 1.00 19.01 C ATOM 966 O TYR A 118 -19.377 -5.831 4.529 1.00 20.10 O ATOM 967 CB TYR A 118 -16.127 -6.161 5.364 1.00 21.59 C ATOM 968 CG TYR A 118 -16.189 -6.567 3.916 1.00 18.05 C ATOM 969 CD1 TYR A 118 -15.943 -5.640 2.910 1.00 20.93 C ATOM 970 CD2 TYR A 118 -16.501 -7.869 3.555 1.00 19.75 C ATOM 971 CE1 TYR A 118 -16.010 -6.010 1.571 1.00 23.10 C ATOM 972 CE2 TYR A 118 -16.578 -8.248 2.214 1.00 19.35 C ATOM 973 CZ TYR A 118 -16.319 -7.312 1.237 1.00 21.80 C ATOM 974 OH TYR A 118 -16.391 -7.674 -0.096 1.00 24.26 O ATOM 975 HH TYR A 118 -17.306 -7.992 -0.301 1.00 0.00 H ATOM 976 H TYR A 118 -16.503 -5.677 7.823 1.00 0.00 H ATOM 977 N ARG A 119 -18.930 -7.350 6.127 1.00 18.97 N ATOM 978 CA ARG A 119 -20.082 -8.187 5.815 1.00 22.29 C ATOM 979 C ARG A 119 -21.361 -7.355 5.834 1.00 25.69 C ATOM 980 O ARG A 119 -22.187 -7.415 4.915 1.00 23.09 O ATOM 981 CB ARG A 119 -20.131 -9.326 6.845 1.00 23.94 C ATOM 982 CG ARG A 119 -21.166 -10.398 6.647 1.00 31.47 C ATOM 983 CD ARG A 119 -20.771 -11.683 7.414 1.00 31.29 C ATOM 984 NE ARG A 119 -21.012 -11.626 8.861 1.00 44.96 N ATOM 985 CZ ARG A 119 -20.111 -11.903 9.811 1.00 40.33 C ATOM 986 NH1 ARG A 119 -18.861 -12.246 9.505 1.00 27.24 N ATOM 987 NH2 ARG A 119 -20.459 -11.827 11.092 1.00 40.45 N ATOM 988 HE ARG A 119 -21.964 -11.347 9.174 1.00 0.00 H ATOM 989 HH12 ARG A 119 -18.179 -12.457 10.262 1.00 0.00 H ATOM 990 HH11 ARG A 119 -18.566 -12.303 8.509 1.00 0.00 H ATOM 991 HH22 ARG A 119 -19.762 -12.041 11.834 1.00 0.00 H ATOM 992 HH21 ARG A 119 -21.428 -11.553 11.352 1.00 0.00 H ATOM 993 H ARG A 119 -18.302 -7.630 6.907 1.00 0.00 H ATOM 994 N GLY A 120 -21.517 -6.532 6.869 1.00 25.79 N ATOM 995 CA GLY A 120 -22.720 -5.718 6.967 1.00 20.77 C ATOM 996 C GLY A 120 -22.792 -4.645 5.901 1.00 23.43 C ATOM 997 O GLY A 120 -23.877 -4.324 5.400 1.00 24.02 O ATOM 998 H GLY A 120 -20.783 -6.471 7.604 1.00 0.00 H ATOM 999 N GLU A 121 -21.650 -4.054 5.553 1.00 20.17 N ATOM 1000 CA GLU A 121 -21.676 -3.004 4.547 1.00 22.15 C ATOM 1001 C GLU A 121 -21.998 -3.575 3.172 1.00 25.53 C ATOM 1002 O GLU A 121 -22.679 -2.915 2.385 1.00 22.63 O ATOM 1003 CB GLU A 121 -20.353 -2.229 4.562 1.00 25.40 C ATOM 1004 CG GLU A 121 -20.185 -1.523 5.920 1.00 26.81 C ATOM 1005 CD GLU A 121 -19.023 -0.534 6.031 1.00 47.01 C ATOM 1006 OE1 GLU A 121 -17.936 -0.770 5.464 1.00 41.41 O ATOM 1007 OE2 GLU A 121 -19.205 0.491 6.731 1.00 59.91 O ATOM 1008 H GLU A 121 -20.753 -4.339 5.994 1.00 0.00 H ATOM 1009 N VAL A 122 -21.550 -4.800 2.875 1.00 20.69 N ATOM 1010 CA VAL A 122 -21.944 -5.446 1.613 1.00 18.27 C ATOM 1011 C VAL A 122 -23.446 -5.706 1.586 1.00 22.76 C ATOM 1012 O VAL A 122 -24.121 -5.455 0.579 1.00 23.99 O ATOM 1013 CB VAL A 122 -21.156 -6.751 1.403 1.00 25.54 C ATOM 1014 CG1 VAL A 122 -21.784 -7.590 0.254 1.00 25.54 C ATOM 1015 CG2 VAL A 122 -19.717 -6.425 1.147 1.00 22.86 C ATOM 1016 H VAL A 122 -20.921 -5.297 3.538 1.00 0.00 H ATOM 1017 N GLN A 123 -23.995 -6.239 2.679 1.00 21.85 N ATOM 1018 CA GLN A 123 -25.437 -6.486 2.702 1.00 20.86 C ATOM 1019 C GLN A 123 -26.213 -5.202 2.474 1.00 28.10 C ATOM 1020 O GLN A 123 -27.233 -5.203 1.776 1.00 25.21 O ATOM 1021 CB GLN A 123 -25.869 -7.129 4.023 1.00 26.44 C ATOM 1022 CG GLN A 123 -25.493 -8.599 4.160 1.00 28.49 C ATOM 1023 CD GLN A 123 -26.323 -9.544 3.268 1.00 24.67 C ATOM 1024 OE1 GLN A 123 -27.447 -9.227 2.855 1.00 28.20 O ATOM 1025 NE2 GLN A 123 -25.771 -10.713 2.997 1.00 22.66 N ATOM 1026 HE22 GLN A 123 -24.824 -10.939 3.364 1.00 0.00 H ATOM 1027 HE21 GLN A 123 -26.283 -11.408 2.417 1.00 0.00 H ATOM 1028 H GLN A 123 -23.406 -6.476 3.503 1.00 0.00 H ATOM 1029 N ALA A 124 -25.733 -4.088 3.029 1.00 23.58 N ATOM 1030 CA ALA A 124 -26.465 -2.834 2.883 1.00 26.02 C ATOM 1031 C ALA A 124 -26.447 -2.326 1.452 1.00 27.19 C ATOM 1032 O ALA A 124 -27.282 -1.488 1.094 1.00 25.73 O ATOM 1033 CB ALA A 124 -25.895 -1.765 3.816 1.00 25.60 C ATOM 1034 H ALA A 124 -24.841 -4.113 3.563 1.00 0.00 H ATOM 1035 N MET A 125 -25.529 -2.823 0.624 1.00 21.12 N ATOM 1036 CA MET A 125 -25.449 -2.426 -0.777 1.00 23.32 C ATOM 1037 C MET A 125 -26.506 -3.092 -1.646 1.00 25.22 C ATOM 1038 O MET A 125 -26.663 -2.691 -2.804 1.00 24.01 O ATOM 1039 CB MET A 125 -24.058 -2.753 -1.348 1.00 26.30 C ATOM 1040 CG MET A 125 -22.929 -1.928 -0.767 1.00 33.98 C ATOM 1041 SD MET A 125 -23.266 -0.171 -0.929 1.00 51.97 S ATOM 1042 CE MET A 125 -22.619 0.138 -2.572 1.00 39.18 C ATOM 1043 H MET A 125 -24.846 -3.518 0.989 1.00 0.00 H ATOM 1044 N LEU A 126 -27.200 -4.111 -1.137 1.00 21.87 N ATOM 1045 CA LEU A 126 -28.367 -4.689 -1.816 1.00 23.52 C ATOM 1046 C LEU A 126 -28.033 -5.163 -3.230 1.00 24.19 C ATOM 1047 O LEU A 126 -28.832 -4.999 -4.160 1.00 26.56 O ATOM 1048 CB LEU A 126 -29.528 -3.697 -1.847 1.00 27.18 C ATOM 1049 CG LEU A 126 -30.015 -3.209 -0.481 1.00 27.94 C ATOM 1050 CD1 LEU A 126 -31.100 -2.168 -0.647 1.00 33.76 C ATOM 1051 CD2 LEU A 126 -30.491 -4.383 0.375 1.00 29.79 C ATOM 1052 H LEU A 126 -26.903 -4.512 -0.224 1.00 0.00 H ATOM 1053 N GLY A 127 -26.849 -5.741 -3.396 1.00 23.79 N ATOM 1054 CA GLY A 127 -26.453 -6.355 -4.651 1.00 24.96 C ATOM 1055 C GLY A 127 -25.631 -5.477 -5.569 1.00 22.15 C ATOM 1056 O GLY A 127 -25.159 -5.967 -6.606 1.00 21.51 O ATOM 1057 H GLY A 127 -26.181 -5.754 -2.599 1.00 0.00 H ATOM 1058 N GLN A 128 -25.449 -4.202 -5.230 1.00 20.25 N ATOM 1059 CA GLN A 128 -24.570 -3.352 -6.016 1.00 20.37 C ATOM 1060 C GLN A 128 -23.122 -3.820 -5.900 1.00 22.41 C ATOM 1061 O GLN A 128 -22.753 -4.558 -4.986 1.00 24.25 O ATOM 1062 CB GLN A 128 -24.655 -1.897 -5.563 1.00 25.57 C ATOM 1063 CG GLN A 128 -26.029 -1.315 -5.589 1.00 30.35 C ATOM 1064 CD GLN A 128 -26.026 0.074 -4.977 1.00 39.54 C ATOM 1065 OE1 GLN A 128 -25.513 1.026 -5.576 1.00 43.38 O ATOM 1066 NE2 GLN A 128 -26.557 0.190 -3.763 1.00 37.90 N ATOM 1067 HE22 GLN A 128 -26.978 -0.640 -3.298 1.00 0.00 H ATOM 1068 HE21 GLN A 128 -26.551 1.110 -3.279 1.00 0.00 H ATOM 1069 H GLN A 128 -25.938 -3.813 -4.399 1.00 0.00 H ATOM 1070 N SER A 129 -22.307 -3.367 -6.853 1.00 26.49 N ATOM 1071 CA SER A 129 -20.888 -3.718 -6.892 1.00 26.97 C ATOM 1072 C SER A 129 -20.197 -3.376 -5.577 1.00 32.46 C ATOM 1073 O SER A 129 -20.455 -2.332 -4.973 1.00 27.38 O ATOM 1074 CB SER A 129 -20.192 -2.974 -8.045 1.00 32.59 C ATOM 1075 OG SER A 129 -18.793 -2.827 -7.797 1.00 40.05 O ATOM 1076 HG SER A 129 -18.374 -2.346 -8.554 1.00 0.00 H ATOM 1077 H SER A 129 -22.693 -2.745 -7.592 1.00 0.00 H ATOM 1078 N THR A 130 -19.312 -4.274 -5.133 1.00 30.53 N ATOM 1079 CA THR A 130 -18.593 -4.083 -3.879 1.00 28.58 C ATOM 1080 C THR A 130 -17.128 -3.721 -4.101 1.00 28.44 C ATOM 1081 O THR A 130 -16.342 -3.746 -3.149 1.00 26.91 O ATOM 1082 CB THR A 130 -18.716 -5.330 -2.993 1.00 25.46 C ATOM 1083 OG1 THR A 130 -18.200 -6.490 -3.671 1.00 32.20 O ATOM 1084 CG2 THR A 130 -20.146 -5.562 -2.641 1.00 28.85 C ATOM 1085 HG1 THR A 130 -18.289 -7.281 -3.083 1.00 0.00 H ATOM 1086 H THR A 130 -19.132 -5.130 -5.696 1.00 0.00 H ATOM 1087 N GLU A 131 -16.753 -3.353 -5.331 1.00 26.10 N ATOM 1088 CA GLU A 131 -15.337 -3.148 -5.631 1.00 29.99 C ATOM 1089 C GLU A 131 -14.726 -2.053 -4.761 1.00 27.17 C ATOM 1090 O GLU A 131 -13.600 -2.205 -4.266 1.00 29.31 O ATOM 1091 CB GLU A 131 -15.136 -2.826 -7.114 1.00 32.35 C ATOM 1092 CG GLU A 131 -13.678 -2.964 -7.541 1.00 50.63 C ATOM 1093 CD GLU A 131 -13.290 -2.025 -8.672 1.00 66.94 C ATOM 1094 OE1 GLU A 131 -12.734 -2.507 -9.685 1.00 70.85 O ATOM 1095 OE2 GLU A 131 -13.536 -0.806 -8.546 1.00 69.35 O ATOM 1096 H GLU A 131 -17.468 -3.213 -6.073 1.00 0.00 H ATOM 1097 N GLU A 132 -15.448 -0.947 -4.552 1.00 29.73 N ATOM 1098 CA GLU A 132 -14.882 0.134 -3.746 1.00 27.79 C ATOM 1099 C GLU A 132 -14.850 -0.230 -2.264 1.00 26.88 C ATOM 1100 O GLU A 132 -13.942 0.189 -1.540 1.00 25.76 O ATOM 1101 CB GLU A 132 -15.648 1.438 -3.976 1.00 39.32 C ATOM 1102 CG GLU A 132 -15.395 2.028 -5.362 1.00 54.10 C ATOM 1103 CD GLU A 132 -16.178 3.312 -5.626 1.00 72.55 C ATOM 1104 OE1 GLU A 132 -16.453 4.053 -4.654 1.00 73.19 O ATOM 1105 OE2 GLU A 132 -16.504 3.582 -6.805 1.00 71.92 O ATOM 1106 H GLU A 132 -16.401 -0.857 -4.958 1.00 0.00 H ATOM 1107 N LEU A 133 -15.830 -0.995 -1.784 1.00 27.43 N ATOM 1108 CA LEU A 133 -15.737 -1.492 -0.414 1.00 21.67 C ATOM 1109 C LEU A 133 -14.499 -2.360 -0.240 1.00 22.17 C ATOM 1110 O LEU A 133 -13.850 -2.323 0.813 1.00 23.17 O ATOM 1111 CB LEU A 133 -16.991 -2.288 -0.032 1.00 24.96 C ATOM 1112 CG LEU A 133 -18.246 -1.480 0.319 1.00 31.65 C ATOM 1113 CD1 LEU A 133 -19.399 -2.420 0.659 1.00 32.34 C ATOM 1114 CD2 LEU A 133 -17.964 -0.540 1.479 1.00 34.38 C ATOM 1115 H LEU A 133 -16.650 -1.235 -2.377 1.00 0.00 H ATOM 1116 N ARG A 134 -14.155 -3.154 -1.265 1.00 20.50 N ATOM 1117 CA ARG A 134 -13.024 -4.075 -1.129 1.00 17.38 C ATOM 1118 C ARG A 134 -11.695 -3.338 -1.208 1.00 22.72 C ATOM 1119 O ARG A 134 -10.740 -3.709 -0.521 1.00 22.27 O ATOM 1120 CB ARG A 134 -13.097 -5.167 -2.191 1.00 19.44 C ATOM 1121 CG ARG A 134 -14.164 -6.206 -1.898 1.00 25.01 C ATOM 1122 CD ARG A 134 -14.157 -7.328 -2.914 1.00 31.20 C ATOM 1123 NE ARG A 134 -15.063 -7.058 -4.024 1.00 43.04 N ATOM 1124 CZ ARG A 134 -14.667 -6.840 -5.269 1.00 40.44 C ATOM 1125 NH1 ARG A 134 -13.379 -6.864 -5.570 1.00 49.28 N ATOM 1126 NH2 ARG A 134 -15.559 -6.601 -6.215 1.00 38.82 N ATOM 1127 HE ARG A 134 -16.084 -7.035 -3.826 1.00 0.00 H ATOM 1128 HH12 ARG A 134 -13.070 -6.693 -6.548 1.00 0.00 H ATOM 1129 HH11 ARG A 134 -12.675 -7.054 -4.828 1.00 0.00 H ATOM 1130 HH22 ARG A 134 -15.247 -6.430 -7.192 1.00 0.00 H ATOM 1131 HH21 ARG A 134 -16.572 -6.584 -5.982 1.00 0.00 H ATOM 1132 H ARG A 134 -14.691 -3.116 -2.156 1.00 0.00 H ATOM 1133 N VAL A 135 -11.611 -2.282 -2.024 1.00 20.53 N ATOM 1134 CA VAL A 135 -10.392 -1.476 -2.056 1.00 21.84 C ATOM 1135 C VAL A 135 -10.132 -0.875 -0.685 1.00 24.48 C ATOM 1136 O VAL A 135 -9.003 -0.892 -0.180 1.00 24.56 O ATOM 1137 CB VAL A 135 -10.498 -0.376 -3.128 1.00 24.16 C ATOM 1138 CG1 VAL A 135 -9.388 0.650 -2.935 1.00 25.71 C ATOM 1139 CG2 VAL A 135 -10.441 -0.988 -4.513 1.00 26.38 C ATOM 1140 H VAL A 135 -12.414 -2.034 -2.637 1.00 0.00 H ATOM 1141 N ARG A 136 -11.182 -0.332 -0.067 1.00 22.00 N ATOM 1142 CA ARG A 136 -11.044 0.275 1.254 1.00 23.18 C ATOM 1143 C ARG A 136 -10.717 -0.772 2.310 1.00 22.54 C ATOM 1144 O ARG A 136 -9.934 -0.516 3.229 1.00 21.80 O ATOM 1145 CB ARG A 136 -12.331 0.995 1.645 1.00 27.89 C ATOM 1146 CG ARG A 136 -12.736 2.166 0.760 1.00 35.35 C ATOM 1147 CD ARG A 136 -13.868 2.969 1.418 1.00 38.52 C ATOM 1148 NE ARG A 136 -14.882 2.109 2.036 1.00 40.27 N ATOM 1149 CZ ARG A 136 -14.978 1.871 3.342 1.00 33.45 C ATOM 1150 NH1 ARG A 136 -14.119 2.426 4.189 1.00 42.48 N ATOM 1151 NH2 ARG A 136 -15.927 1.073 3.801 1.00 31.37 N ATOM 1152 HE ARG A 136 -15.575 1.653 1.409 1.00 0.00 H ATOM 1153 HH12 ARG A 136 -14.198 2.237 5.209 1.00 0.00 H ATOM 1154 HH11 ARG A 136 -13.367 3.050 3.833 1.00 0.00 H ATOM 1155 HH22 ARG A 136 -16.002 0.887 4.822 1.00 0.00 H ATOM 1156 HH21 ARG A 136 -16.599 0.631 3.141 1.00 0.00 H ATOM 1157 H ARG A 136 -12.112 -0.341 -0.532 1.00 0.00 H ATOM 1158 N LEU A 137 -11.331 -1.955 2.214 1.00 18.77 N ATOM 1159 CA LEU A 137 -11.030 -2.984 3.212 1.00 18.59 C ATOM 1160 C LEU A 137 -9.574 -3.425 3.103 1.00 19.03 C ATOM 1161 O LEU A 137 -8.883 -3.593 4.115 1.00 20.23 O ATOM 1162 CB LEU A 137 -11.976 -4.181 3.052 1.00 19.79 C ATOM 1163 CG LEU A 137 -11.612 -5.418 3.896 1.00 18.14 C ATOM 1164 CD1 LEU A 137 -11.711 -5.086 5.409 1.00 18.27 C ATOM 1165 CD2 LEU A 137 -12.460 -6.632 3.565 1.00 19.82 C ATOM 1166 H LEU A 137 -12.008 -2.141 1.447 1.00 0.00 H ATOM 1167 N ALA A 138 -9.084 -3.611 1.877 1.00 19.12 N ATOM 1168 CA ALA A 138 -7.699 -4.037 1.696 1.00 19.08 C ATOM 1169 C ALA A 138 -6.726 -3.062 2.338 1.00 19.68 C ATOM 1170 O ALA A 138 -5.769 -3.476 2.998 1.00 19.26 O ATOM 1171 CB ALA A 138 -7.387 -4.164 0.204 1.00 20.49 C ATOM 1172 H ALA A 138 -9.690 -3.452 1.047 1.00 0.00 H ATOM 1173 N SER A 139 -6.953 -1.763 2.156 1.00 20.98 N ATOM 1174 CA SER A 139 -6.047 -0.753 2.701 1.00 20.06 C ATOM 1175 C SER A 139 -6.085 -0.751 4.219 1.00 23.01 C ATOM 1176 O SER A 139 -5.049 -0.625 4.889 1.00 21.58 O ATOM 1177 CB SER A 139 -6.424 0.624 2.145 1.00 25.56 C ATOM 1178 OG SER A 139 -5.648 1.649 2.735 1.00 33.23 O ATOM 1179 HG SER A 139 -4.690 1.485 2.547 1.00 0.00 H ATOM 1180 H SER A 139 -7.789 -1.461 1.617 1.00 0.00 H ATOM 1181 N HIS A 140 -7.284 -0.897 4.786 1.00 17.83 N ATOM 1182 CA HIS A 140 -7.419 -0.887 6.241 1.00 20.11 C ATOM 1183 C HIS A 140 -6.817 -2.145 6.851 1.00 23.11 C ATOM 1184 O HIS A 140 -6.140 -2.092 7.888 1.00 18.98 O ATOM 1185 CB HIS A 140 -8.896 -0.757 6.608 1.00 21.85 C ATOM 1186 CG HIS A 140 -9.143 -0.310 8.017 1.00 24.35 C ATOM 1187 ND1 HIS A 140 -10.403 -0.016 8.487 1.00 26.10 N ATOM 1188 CD2 HIS A 140 -8.296 -0.099 9.054 1.00 26.88 C ATOM 1189 CE1 HIS A 140 -10.326 0.353 9.756 1.00 26.57 C ATOM 1190 NE2 HIS A 140 -9.059 0.306 10.125 1.00 25.49 N ATOM 1191 H HIS A 140 -8.127 -1.019 4.189 1.00 0.00 H ATOM 1192 N LEU A 141 -7.058 -3.297 6.227 1.00 18.52 N ATOM 1193 CA LEU A 141 -6.481 -4.539 6.717 1.00 18.39 C ATOM 1194 C LEU A 141 -4.959 -4.477 6.749 1.00 19.38 C ATOM 1195 O LEU A 141 -4.326 -5.001 7.666 1.00 20.38 O ATOM 1196 CB LEU A 141 -6.923 -5.705 5.840 1.00 18.87 C ATOM 1197 CG LEU A 141 -8.332 -6.252 5.982 1.00 18.00 C ATOM 1198 CD1 LEU A 141 -8.459 -7.439 5.034 1.00 14.68 C ATOM 1199 CD2 LEU A 141 -8.614 -6.685 7.406 1.00 20.45 C ATOM 1200 H LEU A 141 -7.664 -3.308 5.382 1.00 0.00 H ATOM 1201 N ARG A 142 -4.354 -3.843 5.734 1.00 20.06 N ATOM 1202 CA ARG A 142 -2.893 -3.772 5.738 1.00 18.40 C ATOM 1203 C ARG A 142 -2.389 -3.026 6.962 1.00 21.97 C ATOM 1204 O ARG A 142 -1.407 -3.447 7.580 1.00 21.82 O ATOM 1205 CB ARG A 142 -2.365 -3.125 4.454 1.00 23.12 C ATOM 1206 CG ARG A 142 -0.968 -3.620 4.070 1.00 26.13 C ATOM 1207 CD ARG A 142 -0.592 -3.290 2.616 1.00 28.93 C ATOM 1208 NE ARG A 142 -1.626 -3.675 1.648 1.00 32.93 N ATOM 1209 CZ ARG A 142 -1.665 -4.834 0.994 1.00 30.20 C ATOM 1210 NH1 ARG A 142 -0.729 -5.755 1.192 1.00 31.38 N ATOM 1211 NH2 ARG A 142 -2.650 -5.074 0.138 1.00 35.45 N ATOM 1212 HE ARG A 142 -2.386 -2.991 1.459 1.00 0.00 H ATOM 1213 HH12 ARG A 142 -0.769 -6.657 0.676 1.00 0.00 H ATOM 1214 HH11 ARG A 142 0.044 -5.574 1.863 1.00 0.00 H ATOM 1215 HH22 ARG A 142 -2.684 -5.978 -0.375 1.00 0.00 H ATOM 1216 HH21 ARG A 142 -3.388 -4.358 -0.020 1.00 0.00 H ATOM 1217 H ARG A 142 -4.908 -3.414 4.966 1.00 0.00 H ATOM 1218 N LYS A 143 -3.063 -1.938 7.344 1.00 19.79 N ATOM 1219 CA LYS A 143 -2.675 -1.181 8.532 1.00 19.71 C ATOM 1220 C LYS A 143 -2.932 -1.961 9.818 1.00 19.70 C ATOM 1221 O LYS A 143 -2.145 -1.864 10.767 1.00 22.07 O ATOM 1222 CB LYS A 143 -3.422 0.147 8.570 1.00 21.36 C ATOM 1223 CG LYS A 143 -2.856 1.154 7.564 1.00 23.94 C ATOM 1224 CD LYS A 143 -3.684 2.419 7.485 1.00 26.27 C ATOM 1225 CE LYS A 143 -3.023 3.411 6.518 1.00 29.58 C ATOM 1226 NZ LYS A 143 -3.758 4.691 6.457 1.00 31.69 N ATOM 1227 HZ1 LYS A 143 -4.730 4.516 6.132 1.00 0.00 H ATOM 1228 HZ2 LYS A 143 -3.780 5.122 7.403 1.00 0.00 H ATOM 1229 HZ3 LYS A 143 -3.279 5.333 5.793 1.00 0.00 H ATOM 1230 H LYS A 143 -3.881 -1.623 6.784 1.00 0.00 H ATOM 1231 N LEU A 144 -4.043 -2.698 9.888 1.00 18.05 N ATOM 1232 CA LEU A 144 -4.300 -3.511 11.077 1.00 15.91 C ATOM 1233 C LEU A 144 -3.267 -4.616 11.214 1.00 20.42 C ATOM 1234 O LEU A 144 -2.900 -5.008 12.331 1.00 19.88 O ATOM 1235 CB LEU A 144 -5.700 -4.125 11.020 1.00 15.25 C ATOM 1236 CG LEU A 144 -6.816 -3.082 11.086 1.00 19.67 C ATOM 1237 CD1 LEU A 144 -8.167 -3.705 10.857 1.00 21.52 C ATOM 1238 CD2 LEU A 144 -6.791 -2.389 12.442 1.00 23.86 C ATOM 1239 H LEU A 144 -4.723 -2.694 9.101 1.00 0.00 H ATOM 1240 N ARG A 145 -2.825 -5.168 10.085 1.00 17.55 N ATOM 1241 CA ARG A 145 -1.830 -6.233 10.116 1.00 16.96 C ATOM 1242 C ARG A 145 -0.463 -5.701 10.527 1.00 22.42 C ATOM 1243 O ARG A 145 0.289 -6.379 11.244 1.00 20.31 O ATOM 1244 CB ARG A 145 -1.785 -6.918 8.744 1.00 16.40 C ATOM 1245 CG ARG A 145 -3.069 -7.749 8.499 1.00 17.46 C ATOM 1246 CD ARG A 145 -3.193 -8.255 7.056 1.00 19.88 C ATOM 1247 NE ARG A 145 -2.106 -9.181 6.742 1.00 21.00 N ATOM 1248 CZ ARG A 145 -1.293 -9.056 5.700 1.00 23.58 C ATOM 1249 NH1 ARG A 145 -1.444 -8.047 4.838 1.00 22.00 N ATOM 1250 NH2 ARG A 145 -0.320 -9.950 5.526 1.00 24.55 N ATOM 1251 HE ARG A 145 -1.960 -9.991 7.377 1.00 0.00 H ATOM 1252 HH12 ARG A 145 -0.802 -7.957 4.025 1.00 0.00 H ATOM 1253 HH11 ARG A 145 -2.203 -7.351 4.980 1.00 0.00 H ATOM 1254 HH22 ARG A 145 0.325 -9.865 4.714 1.00 0.00 H ATOM 1255 HH21 ARG A 145 -0.206 -10.732 6.202 1.00 0.00 H ATOM 1256 H ARG A 145 -3.194 -4.835 9.171 1.00 0.00 H ATOM 1257 N LYS A 146 -0.127 -4.485 10.096 1.00 21.81 N ATOM 1258 CA LYS A 146 1.130 -3.881 10.527 1.00 20.71 C ATOM 1259 C LYS A 146 1.150 -3.680 12.024 1.00 22.54 C ATOM 1260 O LYS A 146 2.187 -3.866 12.668 1.00 23.20 O ATOM 1261 CB LYS A 146 1.354 -2.542 9.840 1.00 25.90 C ATOM 1262 CG LYS A 146 1.590 -2.678 8.347 1.00 37.52 C ATOM 1263 CD LYS A 146 2.155 -1.395 7.751 1.00 43.70 C ATOM 1264 CE LYS A 146 1.145 -0.253 7.862 1.00 48.68 C ATOM 1265 NZ LYS A 146 0.487 0.110 6.564 1.00 50.77 N ATOM 1266 HZ1 LYS A 146 1.212 0.407 5.880 1.00 0.00 H ATOM 1267 HZ2 LYS A 146 -0.024 -0.716 6.193 1.00 0.00 H ATOM 1268 HZ3 LYS A 146 -0.182 0.890 6.722 1.00 0.00 H ATOM 1269 H LYS A 146 -0.760 -3.967 9.453 1.00 0.00 H ATOM 1270 N ARG A 147 0.024 -3.260 12.591 1.00 19.93 N ATOM 1271 CA ARG A 147 -0.031 -3.060 14.038 1.00 20.51 C ATOM 1272 C ARG A 147 0.082 -4.393 14.770 1.00 23.12 C ATOM 1273 O ARG A 147 0.831 -4.517 15.751 1.00 18.83 O ATOM 1274 CB ARG A 147 -1.326 -2.332 14.399 1.00 20.09 C ATOM 1275 CG ARG A 147 -1.756 -2.523 15.851 1.00 23.93 C ATOM 1276 CD ARG A 147 -2.595 -1.381 16.396 1.00 28.22 C ATOM 1277 NE ARG A 147 -3.866 -1.096 15.727 1.00 27.66 N ATOM 1278 CZ ARG A 147 -5.041 -1.609 16.079 1.00 23.98 C ATOM 1279 NH1 ARG A 147 -5.121 -2.498 17.064 1.00 26.17 N ATOM 1280 NH2 ARG A 147 -6.148 -1.228 15.443 1.00 23.00 N ATOM 1281 HE ARG A 147 -3.848 -0.444 14.917 1.00 0.00 H ATOM 1282 HH12 ARG A 147 -6.044 -2.894 17.333 1.00 0.00 H ATOM 1283 HH11 ARG A 147 -4.260 -2.797 17.566 1.00 0.00 H ATOM 1284 HH22 ARG A 147 -7.068 -1.628 15.716 1.00 0.00 H ATOM 1285 HH21 ARG A 147 -6.092 -0.531 14.673 1.00 0.00 H ATOM 1286 H ARG A 147 -0.816 -3.074 12.007 1.00 0.00 H ATOM 1287 N LEU A 148 -0.606 -5.422 14.273 1.00 19.20 N ATOM 1288 CA LEU A 148 -0.477 -6.741 14.888 1.00 16.26 C ATOM 1289 C LEU A 148 0.965 -7.229 14.844 1.00 17.91 C ATOM 1290 O LEU A 148 1.474 -7.764 15.831 1.00 21.17 O ATOM 1291 CB LEU A 148 -1.394 -7.737 14.182 1.00 17.40 C ATOM 1292 CG LEU A 148 -1.288 -9.195 14.623 1.00 18.85 C ATOM 1293 CD1 LEU A 148 -1.592 -9.326 16.095 1.00 26.57 C ATOM 1294 CD2 LEU A 148 -2.290 -10.001 13.805 1.00 24.08 C ATOM 1295 H LEU A 148 -1.231 -5.286 13.453 1.00 0.00 H ATOM 1296 N LEU A 149 1.637 -7.061 13.700 1.00 19.42 N ATOM 1297 CA LEU A 149 3.032 -7.487 13.598 1.00 21.99 C ATOM 1298 C LEU A 149 3.913 -6.718 14.584 1.00 24.12 C ATOM 1299 O LEU A 149 4.744 -7.312 15.287 1.00 24.75 O ATOM 1300 CB LEU A 149 3.525 -7.303 12.160 1.00 23.32 C ATOM 1301 CG LEU A 149 4.942 -7.777 11.821 1.00 32.86 C ATOM 1302 CD1 LEU A 149 5.180 -9.202 12.304 1.00 31.56 C ATOM 1303 CD2 LEU A 149 5.156 -7.673 10.309 1.00 27.58 C ATOM 1304 H LEU A 149 1.166 -6.626 12.881 1.00 0.00 H ATOM 1305 N ARG A 150 3.738 -5.393 14.646 1.00 23.19 N ATOM 1306 CA ARG A 150 4.502 -4.585 15.600 1.00 23.54 C ATOM 1307 C ARG A 150 4.321 -5.104 17.022 1.00 24.93 C ATOM 1308 O ARG A 150 5.305 -5.246 17.769 1.00 23.81 O ATOM 1309 CB ARG A 150 4.074 -3.115 15.532 1.00 27.60 C ATOM 1310 CG ARG A 150 4.475 -2.354 14.285 1.00 30.19 C ATOM 1311 CD ARG A 150 4.224 -0.849 14.469 1.00 28.64 C ATOM 1312 NE ARG A 150 2.802 -0.495 14.566 1.00 29.35 N ATOM 1313 CZ ARG A 150 2.104 0.046 13.569 1.00 31.39 C ATOM 1314 NH1 ARG A 150 2.695 0.282 12.409 1.00 33.54 N ATOM 1315 NH2 ARG A 150 0.820 0.353 13.725 1.00 19.52 N ATOM 1316 HE ARG A 150 2.312 -0.677 15.465 1.00 0.00 H ATOM 1317 HH12 ARG A 150 2.155 0.704 11.627 1.00 0.00 H ATOM 1318 HH11 ARG A 150 3.699 0.045 12.279 1.00 0.00 H ATOM 1319 HH22 ARG A 150 0.287 0.775 12.938 1.00 0.00 H ATOM 1320 HH21 ARG A 150 0.349 0.171 14.634 1.00 0.00 H ATOM 1321 H ARG A 150 3.054 -4.933 14.012 1.00 0.00 H ATOM 1322 N ASP A 151 3.078 -5.372 17.417 1.00 19.92 N ATOM 1323 CA ASP A 151 2.806 -5.805 18.778 1.00 19.18 C ATOM 1324 C ASP A 151 3.318 -7.216 19.044 1.00 22.01 C ATOM 1325 O ASP A 151 3.735 -7.511 20.169 1.00 20.03 O ATOM 1326 CB ASP A 151 1.307 -5.698 19.054 1.00 21.83 C ATOM 1327 CG ASP A 151 0.852 -4.254 19.169 1.00 30.13 C ATOM 1328 OD1 ASP A 151 1.701 -3.369 19.423 1.00 28.09 O ATOM 1329 OD2 ASP A 151 -0.349 -3.984 19.017 1.00 24.99 O ATOM 1330 H ASP A 151 2.292 -5.270 16.744 1.00 0.00 H ATOM 1331 N ALA A 152 3.291 -8.101 18.045 1.00 19.40 N ATOM 1332 CA ALA A 152 3.826 -9.449 18.262 1.00 21.31 C ATOM 1333 C ALA A 152 5.340 -9.414 18.441 1.00 23.67 C ATOM 1334 O ALA A 152 5.892 -10.145 19.275 1.00 22.73 O ATOM 1335 CB ALA A 152 3.457 -10.374 17.104 1.00 20.08 C ATOM 1336 H ALA A 152 2.894 -7.837 17.121 1.00 0.00 H ATOM 1337 N ASP A 153 6.028 -8.560 17.676 1.00 23.94 N ATOM 1338 CA ASP A 153 7.475 -8.445 17.839 1.00 26.83 C ATOM 1339 C ASP A 153 7.824 -7.896 19.212 1.00 28.11 C ATOM 1340 O ASP A 153 8.762 -8.376 19.861 1.00 28.86 O ATOM 1341 CB ASP A 153 8.067 -7.552 16.752 1.00 28.39 C ATOM 1342 CG ASP A 153 8.069 -8.218 15.392 1.00 39.66 C ATOM 1343 OD1 ASP A 153 7.834 -9.449 15.329 1.00 39.98 O ATOM 1344 OD2 ASP A 153 8.312 -7.516 14.385 1.00 44.36 O ATOM 1345 H ASP A 153 5.535 -7.980 16.968 1.00 0.00 H ATOM 1346 N ASP A 154 7.079 -6.891 19.670 1.00 24.34 N ATOM 1347 CA ASP A 154 7.307 -6.340 21.002 1.00 25.18 C ATOM 1348 C ASP A 154 7.052 -7.380 22.081 1.00 27.03 C ATOM 1349 O ASP A 154 7.766 -7.441 23.084 1.00 26.89 O ATOM 1350 CB ASP A 154 6.403 -5.136 21.234 1.00 27.35 C ATOM 1351 CG ASP A 154 6.670 -4.458 22.563 1.00 37.32 C ATOM 1352 OD1 ASP A 154 7.721 -3.796 22.686 1.00 44.49 O ATOM 1353 OD2 ASP A 154 5.828 -4.571 23.482 1.00 40.39 O ATOM 1354 H ASP A 154 6.326 -6.495 19.072 1.00 0.00 H ATOM 1355 N LEU A 155 6.010 -8.185 21.907 1.00 22.00 N ATOM 1356 CA LEU A 155 5.725 -9.223 22.883 1.00 23.46 C ATOM 1357 C LEU A 155 6.847 -10.253 22.908 1.00 23.20 C ATOM 1358 O LEU A 155 7.317 -10.646 23.984 1.00 25.33 O ATOM 1359 CB LEU A 155 4.377 -9.854 22.545 1.00 24.03 C ATOM 1360 CG LEU A 155 3.924 -11.056 23.356 1.00 27.54 C ATOM 1361 CD1 LEU A 155 3.828 -10.700 24.826 1.00 21.43 C ATOM 1362 CD2 LEU A 155 2.587 -11.517 22.803 1.00 23.87 C ATOM 1363 H LEU A 155 5.399 -8.073 21.073 1.00 0.00 H ATOM 1364 N GLN A 156 7.319 -10.672 21.729 1.00 23.05 N ATOM 1365 CA GLN A 156 8.407 -11.647 21.675 1.00 21.93 C ATOM 1366 C GLN A 156 9.654 -11.116 22.362 1.00 29.34 C ATOM 1367 O GLN A 156 10.335 -11.851 23.091 1.00 26.87 O ATOM 1368 CB GLN A 156 8.727 -12.006 20.231 1.00 27.18 C ATOM 1369 CG GLN A 156 9.721 -13.149 20.093 1.00 32.77 C ATOM 1370 CD GLN A 156 10.211 -13.285 18.674 1.00 37.28 C ATOM 1371 OE1 GLN A 156 10.447 -12.282 18.001 1.00 41.50 O ATOM 1372 NE2 GLN A 156 10.362 -14.521 18.202 1.00 39.72 N ATOM 1373 HE22 GLN A 156 10.150 -15.339 18.809 1.00 0.00 H ATOM 1374 HE21 GLN A 156 10.692 -14.669 17.227 1.00 0.00 H ATOM 1375 H GLN A 156 6.910 -10.303 20.847 1.00 0.00 H ATOM 1376 N LYS A 157 9.967 -9.840 22.147 1.00 25.29 N ATOM 1377 CA LYS A 157 11.136 -9.254 22.791 1.00 29.54 C ATOM 1378 C LYS A 157 10.974 -9.214 24.302 1.00 30.91 C ATOM 1379 O LYS A 157 11.922 -9.501 25.040 1.00 32.96 O ATOM 1380 CB LYS A 157 11.406 -7.855 22.232 1.00 30.13 C ATOM 1381 CG LYS A 157 12.320 -7.872 21.005 1.00 49.90 C ATOM 1382 CD LYS A 157 12.080 -6.681 20.077 1.00 52.41 C ATOM 1383 CE LYS A 157 12.789 -6.879 18.737 1.00 57.94 C ATOM 1384 NZ LYS A 157 11.836 -6.835 17.579 1.00 58.28 N ATOM 1385 HZ1 LYS A 157 11.128 -7.590 17.685 1.00 0.00 H ATOM 1386 HZ2 LYS A 157 11.359 -5.911 17.559 1.00 0.00 H ATOM 1387 HZ3 LYS A 157 12.362 -6.974 16.693 1.00 0.00 H ATOM 1388 H LYS A 157 9.376 -9.260 21.518 1.00 0.00 H ATOM 1389 N ARG A 158 9.782 -8.864 24.789 1.00 27.12 N ATOM 1390 CA ARG A 158 9.573 -8.834 26.231 1.00 25.20 C ATOM 1391 C ARG A 158 9.694 -10.226 26.828 1.00 31.45 C ATOM 1392 O ARG A 158 10.275 -10.395 27.904 1.00 27.87 O ATOM 1393 CB ARG A 158 8.208 -8.243 26.582 1.00 24.81 C ATOM 1394 CG ARG A 158 8.106 -6.768 26.295 1.00 31.63 C ATOM 1395 CD ARG A 158 6.774 -6.219 26.743 1.00 31.09 C ATOM 1396 NE ARG A 158 6.550 -4.895 26.168 1.00 36.56 N ATOM 1397 CZ ARG A 158 6.929 -3.755 26.735 1.00 46.00 C ATOM 1398 NH1 ARG A 158 7.543 -3.766 27.910 1.00 41.66 N ATOM 1399 NH2 ARG A 158 6.682 -2.601 26.127 1.00 49.63 N ATOM 1400 HE ARG A 158 6.060 -4.841 25.252 1.00 0.00 H ATOM 1401 HH12 ARG A 158 7.838 -2.872 28.351 1.00 0.00 H ATOM 1402 HH11 ARG A 158 7.729 -4.669 28.391 1.00 0.00 H ATOM 1403 HH22 ARG A 158 6.978 -1.707 26.568 1.00 0.00 H ATOM 1404 HH21 ARG A 158 6.193 -2.591 25.209 1.00 0.00 H ATOM 1405 H ARG A 158 9.006 -8.614 24.143 1.00 0.00 H ATOM 1406 N LEU A 159 9.131 -11.233 26.152 1.00 23.59 N ATOM 1407 CA LEU A 159 9.226 -12.592 26.673 1.00 26.08 C ATOM 1408 C LEU A 159 10.677 -13.055 26.738 1.00 31.25 C ATOM 1409 O LEU A 159 11.047 -13.813 27.643 1.00 31.80 O ATOM 1410 CB LEU A 159 8.398 -13.541 25.806 1.00 26.45 C ATOM 1411 CG LEU A 159 6.882 -13.402 25.912 1.00 25.72 C ATOM 1412 CD1 LEU A 159 6.221 -14.094 24.733 1.00 22.49 C ATOM 1413 CD2 LEU A 159 6.372 -14.024 27.214 1.00 25.04 C ATOM 1414 H LEU A 159 8.629 -11.048 25.260 1.00 0.00 H ATOM 1415 N ALA A 160 11.510 -12.591 25.804 1.00 29.20 N ATOM 1416 CA ALA A 160 12.883 -13.078 25.695 1.00 37.32 C ATOM 1417 C ALA A 160 13.772 -12.600 26.836 1.00 38.89 C ATOM 1418 O ALA A 160 14.784 -13.246 27.124 1.00 37.14 O ATOM 1419 CB ALA A 160 13.491 -12.655 24.357 1.00 33.16 C ATOM 1420 H ALA A 160 11.174 -11.866 25.138 1.00 0.00 H ATOM 1421 N VAL A 161 13.432 -11.496 27.496 1.00 34.73 N ATOM 1422 CA VAL A 161 14.221 -11.015 28.625 1.00 34.77 C ATOM 1423 C VAL A 161 13.462 -11.135 29.934 1.00 36.02 C ATOM 1424 O VAL A 161 13.953 -10.690 30.972 1.00 34.07 O ATOM 1425 CB VAL A 161 14.701 -9.573 28.404 1.00 37.26 C ATOM 1426 CG1 VAL A 161 15.578 -9.495 27.165 1.00 37.36 C ATOM 1427 CG2 VAL A 161 13.521 -8.622 28.295 1.00 36.61 C ATOM 1428 H VAL A 161 12.587 -10.966 27.201 1.00 0.00 H ATOM 1429 N TYR A 162 12.276 -11.738 29.914 1.00 30.10 N ATOM 1430 CA TYR A 162 11.441 -11.788 31.110 1.00 29.56 C ATOM 1431 C TYR A 162 12.107 -12.576 32.229 1.00 34.85 C ATOM 1432 O TYR A 162 12.098 -12.148 33.393 1.00 37.27 O ATOM 1433 CB TYR A 162 10.087 -12.406 30.761 1.00 30.09 C ATOM 1434 CG TYR A 162 9.120 -12.478 31.918 1.00 28.92 C ATOM 1435 CD1 TYR A 162 8.745 -11.336 32.602 1.00 31.69 C ATOM 1436 CD2 TYR A 162 8.566 -13.692 32.309 1.00 28.40 C ATOM 1437 CE1 TYR A 162 7.857 -11.393 33.653 1.00 31.83 C ATOM 1438 CE2 TYR A 162 7.667 -13.761 33.359 1.00 33.71 C ATOM 1439 CZ TYR A 162 7.321 -12.605 34.029 1.00 36.27 C ATOM 1440 OH TYR A 162 6.430 -12.657 35.073 1.00 38.48 O ATOM 1441 HH TYR A 162 5.565 -13.015 34.750 1.00 0.00 H ATOM 1442 H TYR A 162 11.940 -12.179 29.035 1.00 0.00 H ATOM 1443 N GLN A 163 12.668 -13.741 31.902 1.00 33.43 N ATOM 1444 CA GLN A 163 13.248 -14.605 32.929 1.00 37.94 C ATOM 1445 C GLN A 163 14.387 -13.902 33.658 1.00 40.69 C ATOM 1446 O GLN A 163 14.416 -13.854 34.895 1.00 43.09 O ATOM 1447 CB GLN A 163 13.733 -15.905 32.291 1.00 37.88 C ATOM 1448 CG GLN A 163 12.600 -16.810 31.848 1.00 40.46 C ATOM 1449 CD GLN A 163 13.077 -17.979 31.015 1.00 41.45 C ATOM 1450 OE1 GLN A 163 13.035 -19.126 31.463 1.00 52.50 O ATOM 1451 NE2 GLN A 163 13.515 -17.701 29.791 1.00 38.77 N ATOM 1452 HE22 GLN A 163 13.532 -16.717 29.456 1.00 0.00 H ATOM 1453 HE21 GLN A 163 13.841 -18.468 29.169 1.00 0.00 H ATOM 1454 H GLN A 163 12.693 -14.038 30.906 1.00 0.00 H ATOM 1455 N ALA A 164 15.325 -13.341 32.902 1.00 42.90 N ATOM 1456 CA ALA A 164 16.385 -12.509 33.449 1.00 44.31 C ATOM 1457 C ALA A 164 15.816 -11.341 34.252 1.00 48.55 C ATOM 1458 O ALA A 164 16.439 -10.873 35.207 1.00 49.86 O ATOM 1459 CB ALA A 164 17.269 -11.995 32.327 1.00 45.81 C ATOM 1460 H ALA A 164 15.300 -13.504 31.875 1.00 0.00 H TER 1461 ALA A 164 HETATM 1462 O HOH 1 -13.574 4.563 3.968 1.00 51.21 O HETATM 1463 O HOH 2 -12.952 0.882 -7.103 1.00 46.82 O HETATM 1464 O HOH 3 6.054 -0.399 33.693 1.00 45.65 O HETATM 1465 O HOH 4 2.308 -16.245 4.749 1.00 39.61 O HETATM 1466 O HOH 5 -16.370 -2.419 4.915 1.00 29.40 O HETATM 1467 O HOH 6 -14.150 -12.776 -8.425 1.00 44.40 O HETATM 1468 O HOH 7 3.021 -4.239 23.279 1.00 38.30 O HETATM 1469 O HOH 8 9.409 -20.599 17.312 1.00 50.72 O HETATM 1470 O HOH 9 3.352 -2.665 21.084 1.00 41.03 O HETATM 1471 O HOH 10 -17.791 -11.827 16.133 1.00 56.67 O HETATM 1472 O HOH 11 -18.480 -19.807 4.040 1.00 39.46 O HETATM 1473 O HOH 12 -12.142 -23.559 12.998 1.00 40.19 O HETATM 1474 O HOH 13 16.921 -16.518 34.050 1.00 51.64 O HETATM 1475 O HOH 14 8.524 -5.325 29.749 1.00 39.91 O HETATM 1476 O HOH 15 -7.231 -1.990 19.887 1.00 40.08 O HETATM 1477 O HOH 16 10.899 -16.417 25.305 1.00 37.20 O HETATM 1478 O HOH 17 3.150 -18.934 37.246 1.00 42.94 O HETATM 1479 O HOH 18 -8.174 -23.816 13.143 1.00 42.82 O HETATM 1480 O HOH 19 8.397 -16.162 22.212 1.00 30.28 O HETATM 1481 O HOH 20 4.108 -16.416 7.029 1.00 36.41 O HETATM 1482 O HOH 21 -24.950 -6.345 -1.725 1.00 37.42 O HETATM 1483 O HOH 22 -17.383 -9.994 -0.767 1.00 29.06 O HETATM 1484 O HOH 23 -2.501 -14.566 26.836 1.00 40.99 O HETATM 1485 O HOH 24 6.256 -2.724 40.765 1.00 46.53 O HETATM 1486 O HOH 25 6.499 -23.261 23.539 1.00 33.13 O HETATM 1487 O HOH 26 7.278 -17.993 39.764 1.00 46.52 O HETATM 1488 O HOH 27 -17.034 -11.325 7.392 1.00 25.08 O HETATM 1489 O HOH 28 1.343 -16.594 34.690 1.00 42.12 O HETATM 1490 O HOH 29 2.265 -7.513 38.590 1.00 46.41 O HETATM 1491 O HOH 30 -26.194 -4.528 6.763 1.00 29.48 O HETATM 1492 O HOH 31 2.320 -22.536 25.082 1.00 25.37 O HETATM 1493 O HOH 32 -23.875 -5.626 -8.957 1.00 22.95 O HETATM 1494 O HOH 33 -11.495 -2.896 13.933 1.00 32.65 O HETATM 1495 O HOH 34 -15.048 -23.905 9.049 1.00 49.74 O HETATM 1496 O HOH 35 1.502 -25.843 31.129 1.00 26.07 O HETATM 1497 O HOH 36 -17.755 -14.451 13.659 1.00 38.95 O HETATM 1498 O HOH 37 -23.602 -11.549 4.485 1.00 34.51 O HETATM 1499 O HOH 38 10.249 -8.739 30.057 1.00 31.68 O HETATM 1500 O HOH 39 0.003 -17.010 32.359 1.00 32.31 O HETATM 1501 O HOH 40 -27.959 0.352 -1.432 1.00 46.79 O HETATM 1502 O HOH 41 -14.686 -1.283 3.198 1.00 25.60 O HETATM 1503 O HOH 42 3.689 -3.584 27.886 1.00 32.34 O HETATM 1504 O HOH 43 8.542 -25.615 30.318 1.00 28.06 O HETATM 1505 O HOH 44 -9.539 -22.459 19.083 1.00 32.26 O HETATM 1506 O HOH 45 -24.325 3.081 -4.193 1.00 41.67 O HETATM 1507 O HOH 46 0.987 -24.140 18.507 1.00 29.36 O HETATM 1508 O HOH 47 10.321 -24.232 39.302 1.00 44.35 O HETATM 1509 O HOH 48 -23.400 -6.784 -3.490 1.00 31.32 O HETATM 1510 O HOH 49 -8.077 -18.311 24.517 1.00 29.47 O HETATM 1511 O HOH 50 12.987 -15.030 29.334 1.00 35.30 O HETATM 1512 O HOH 51 15.519 -13.899 30.204 1.00 39.27 O HETATM 1513 O HOH 52 7.661 -3.831 17.491 1.00 36.06 O HETATM 1514 O HOH 53 10.007 -3.323 21.206 1.00 47.17 O HETATM 1515 O HOH 54 7.840 -7.640 30.603 1.00 31.01 O HETATM 1516 O HOH 55 -11.267 -21.234 4.788 1.00 31.59 O HETATM 1517 O HOH 56 11.505 -20.803 25.900 1.00 43.82 O HETATM 1518 O HOH 57 -16.979 -18.768 -6.186 1.00 41.18 O HETATM 1519 O HOH 58 11.682 -12.827 40.369 1.00 48.80 O HETATM 1520 O HOH 59 -1.375 -17.582 3.397 1.00 23.33 O HETATM 1521 O HOH 60 -14.747 -20.138 16.151 1.00 39.27 O HETATM 1522 O HOH 61 -3.772 -20.230 16.010 1.00 23.70 O HETATM 1523 O HOH 62 -1.206 -11.541 7.912 1.00 22.47 O HETATM 1524 O HOH 63 -12.620 -4.467 18.162 1.00 40.71 O HETATM 1525 O HOH 64 2.101 -6.563 22.266 1.00 26.90 O HETATM 1526 O HOH 65 -2.587 -3.539 26.961 1.00 35.52 O HETATM 1527 O HOH 66 -5.215 -6.783 -1.323 1.00 44.54 O HETATM 1528 O HOH 67 -13.068 -15.455 21.541 1.00 48.11 O HETATM 1529 O HOH 68 -22.937 -0.135 2.653 1.00 31.82 O HETATM 1530 O HOH 69 15.502 -15.771 26.133 1.00 43.06 O HETATM 1531 O HOH 70 -16.578 -14.137 7.755 1.00 23.96 O HETATM 1532 O HOH 71 -12.017 1.287 5.849 1.00 33.99 O HETATM 1533 O HOH 72 -3.695 -21.350 28.787 1.00 31.56 O HETATM 1534 O HOH 73 -16.649 -22.975 2.428 1.00 49.13 O HETATM 1535 O HOH 74 8.448 -17.252 14.703 1.00 53.74 O HETATM 1536 O HOH 75 -6.469 -0.893 -1.426 1.00 29.69 O HETATM 1537 O HOH 76 -29.307 -6.866 2.729 1.00 38.71 O HETATM 1538 O HOH 77 -2.720 0.523 3.775 1.00 29.04 O HETATM 1539 O HOH 78 -29.515 -0.791 2.689 1.00 37.90 O HETATM 1540 O HOH 79 11.130 -9.561 18.464 1.00 43.59 O HETATM 1541 O HOH 80 4.632 -29.394 22.654 1.00 29.89 O HETATM 1542 O HOH 81 -17.770 -4.950 13.808 1.00 36.88 O HETATM 1543 O HOH 82 4.499 -21.240 23.596 1.00 25.04 O HETATM 1544 O HOH 83 -16.184 -9.723 16.282 1.00 50.42 O HETATM 1545 O HOH 84 -19.733 -12.803 13.706 1.00 65.57 O HETATM 1546 O HOH 85 -21.337 -2.830 8.872 1.00 32.99 O HETATM 1547 O HOH 86 -3.203 3.194 2.950 1.00 40.94 O HETATM 1548 O HOH 87 11.014 -19.376 39.052 1.00 47.35 O HETATM 1549 O HOH 88 -10.352 -25.171 9.744 1.00 49.85 O HETATM 1550 O HOH 89 10.547 -14.755 23.093 1.00 30.23 O HETATM 1551 O HOH 90 -22.187 -7.634 9.891 1.00 40.61 O HETATM 1552 O HOH 91 4.779 -3.727 11.341 1.00 32.74 O HETATM 1553 O HOH 92 -9.737 -14.690 -7.430 1.00 34.65 O HETATM 1554 O HOH 93 -10.128 -4.926 20.498 1.00 41.08 O HETATM 1555 O HOH 94 -13.938 -10.416 -7.620 1.00 44.23 O HETATM 1556 O HOH 95 7.666 -1.105 29.167 1.00 49.07 O HETATM 1557 O HOH 96 -8.359 2.764 0.114 1.00 37.05 O HETATM 1558 O HOH 97 -3.561 -9.596 29.973 1.00 46.20 O HETATM 1559 O HOH 98 10.355 -22.768 31.453 1.00 43.52 O HETATM 1560 O HOH 99 -7.153 -8.406 25.033 1.00 41.10 O HETATM 1561 O HOH 100 -18.363 -0.813 -3.319 1.00 35.11 O HETATM 1562 O HOH 101 5.052 -1.170 11.303 1.00 42.18 O HETATM 1563 O HOH 102 -4.689 -5.059 14.723 1.00 26.51 O HETATM 1564 O HOH 103 -24.424 1.094 -8.377 1.00 39.07 O HETATM 1565 O HOH 104 -1.480 -10.851 1.116 1.00 33.25 O HETATM 1566 O HOH 105 -6.839 -17.734 26.982 1.00 37.56 O HETATM 1567 O HOH 106 -8.630 -11.287 22.254 1.00 46.95 O HETATM 1568 O HOH 107 -9.945 -18.082 -4.677 1.00 38.44 O HETATM 1569 O HOH 108 -10.018 -8.329 -5.166 1.00 49.46 O HETATM 1570 O HOH 109 14.811 -9.315 23.919 1.00 42.33 O HETATM 1571 O HOH 110 8.449 -4.389 14.660 1.00 48.72 O HETATM 1572 O HOH 111 -20.897 -0.128 9.313 1.00 51.24 O HETATM 1573 O HOH 112 -21.553 -16.648 1.202 1.00 38.77 O HETATM 1574 O HOH 113 4.409 2.445 14.394 1.00 44.19 O HETATM 1575 O HOH 114 -1.069 -14.533 31.490 1.00 44.00 O HETATM 1576 O HOH 115 -9.432 -1.076 14.763 1.00 37.02 O HETATM 1577 O HOH 116 17.738 -12.698 28.732 1.00 43.86 O HETATM 1578 O HOH 117 3.937 -23.859 26.824 1.00 36.14 O HETATM 1579 O HOH 118 -5.099 -3.998 25.232 1.00 38.63 O HETATM 1580 O HOH 119 -25.054 1.513 1.648 1.00 41.01 O HETATM 1581 O HOH 120 -20.154 -4.280 12.472 1.00 44.95 O HETATM 1582 O HOH 121 -24.388 -8.636 8.183 1.00 42.70 O HETATM 1583 O HOH 122 7.475 -12.199 10.633 1.00 48.77 O HETATM 1584 O HOH 123 12.520 -15.252 21.275 1.00 46.98 O HETATM 1585 O HOH 124 11.597 -5.930 26.599 1.00 41.36 O HETATM 1586 O HOH 125 -4.707 -11.093 27.884 1.00 41.43 O HETATM 1587 O HOH 126 -9.569 -8.186 23.620 1.00 43.15 O HETATM 1588 O HOH 127 -6.815 -24.396 28.458 1.00 59.73 O HETATM 1589 O HOH 128 -7.179 -5.008 26.162 1.00 48.77 O HETATM 1590 O HOH 129 2.373 -6.271 7.526 1.00 43.94 O HETATM 1591 O HOH 130 7.216 -4.244 12.306 1.00 46.18 O HETATM 1592 O HOH 131 -13.998 -20.928 18.327 1.00 44.58 O HETATM 1593 O HOH 132 -15.166 -22.431 15.214 1.00 50.97 O HETATM 1594 O HOH 133 -4.615 -8.026 31.294 1.00 50.75 O HETATM 1595 O HOH 134 -19.905 -11.187 15.226 1.00 55.06 O HETATM 1596 O HOH 135 -5.988 1.557 -1.965 1.00 46.08 O HETATM 1597 O HOH 136 -6.848 -2.852 -3.382 1.00 45.27 O HETATM 1598 O HOH 137 4.934 -28.797 20.064 1.00 38.36 O HETATM 1599 O HOH 138 11.193 -6.329 29.286 1.00 37.16 O HETATM 1600 O HOH 139 -17.955 -7.092 15.750 1.00 46.51 O HETATM 1601 O HOH 140 -26.408 -7.227 7.871 1.00 47.88 O HETATM 1602 O HOH 141 15.973 -7.468 24.385 1.00 52.53 O HETATM 1603 O HOH 142 -8.634 -0.367 21.340 1.00 51.24 O HETATM 1604 O HOH 143 -10.541 -6.483 22.426 1.00 44.07 O HETATM 1605 O HOH 144 11.428 -15.305 41.483 1.00 49.58 O HETATM 1606 O HOH 145 -6.414 -20.113 28.724 1.00 40.78 O HETATM 1607 O HOH 146 14.582 -10.661 21.202 1.00 53.11 O HETATM 1608 O HOH 147 4.980 -4.346 8.774 1.00 46.49 O HETATM 1609 O HOH 148 8.593 -9.226 9.847 1.00 49.28 O HETATM 1610 O HOH 149 -7.316 -9.431 27.498 1.00 51.00 O HETATM 1611 O HOH 150 -11.852 -18.865 -8.317 1.00 51.39 O HETATM 1612 O HOH 151 -9.968 -5.211 24.786 1.00 52.89 O HETATM 1613 C10 KQP A 152 4.101 -17.744 10.187 1.00 -0.04 C HETATM 1614 C05 KQP A 152 4.424 -18.925 10.839 1.00 -0.03 C HETATM 1615 C02 KQP A 152 4.251 -20.268 10.119 1.00 0.04 C HETATM 1616 C01 KQP A 152 3.100 -21.017 10.774 1.00 -0.06 C HETATM 1617 H8 KQP A 152 2.959 -21.985 10.271 1.00 0.01 H HETATM 1618 H9 KQP A 152 2.179 -20.422 10.688 1.00 0.01 H HETATM 1619 H10 KQP A 152 3.330 -21.186 11.836 1.00 0.01 H HETATM 1620 C03 KQP A 152 5.551 -21.112 10.193 1.00 -0.06 C HETATM 1621 H11 KQP A 152 6.374 -20.560 9.716 1.00 0.01 H HETATM 1622 H12 KQP A 152 5.399 -22.067 9.669 1.00 0.01 H HETATM 1623 H13 KQP A 152 5.802 -21.308 11.246 1.00 0.01 H HETATM 1624 O04 KQP A 152 3.888 -20.026 8.724 1.00 -0.43 O HETATM 1625 H24 KQP A 152 3.092 -19.509 8.690 1.00 0.19 H HETATM 1626 C06 KQP A 152 4.893 -18.896 12.170 1.00 -0.04 C HETATM 1627 C07 KQP A 152 5.032 -17.658 12.826 1.00 -0.03 C HETATM 1628 C08 KQP A 152 4.734 -16.474 12.162 1.00 0.02 C HETATM 1629 C09 KQP A 152 4.242 -16.501 10.845 1.00 -0.03 C HETATM 1630 H16 KQP A 152 3.974 -15.580 10.341 1.00 0.07 H HETATM 1631 C11 KQP A 152 4.842 -15.223 12.903 1.00 0.03 C HETATM 1632 C17 KQP A 152 5.804 -15.057 13.856 1.00 -0.02 C HETATM 1633 C16 KQP A 152 5.870 -13.819 14.583 1.00 -0.04 C HETATM 1634 C15 KQP A 152 4.893 -12.842 14.378 1.00 -0.02 C HETATM 1635 C13 KQP A 152 3.915 -13.029 13.445 1.00 0.07 C HETATM 1636 C12 KQP A 152 3.847 -14.222 12.697 1.00 -0.00 C HETATM 1637 H17 KQP A 152 3.051 -14.376 11.977 1.00 0.09 H HETATM 1638 CL14 KQP A 152 2.719 -11.675 13.256 1.00 -0.06 CL HETATM 1639 H2 KQP A 152 4.912 -11.930 14.963 1.00 0.09 H HETATM 1640 C18 KQP A 152 6.831 -13.557 15.659 1.00 0.03 C HETATM 1641 C21 KQP A 152 7.060 -12.375 16.506 1.00 -0.07 C HETATM 1642 C20 KQP A 152 6.926 -13.412 17.607 1.00 -0.07 C HETATM 1643 C19 KQP A 152 7.407 -14.486 16.638 1.00 -0.07 C HETATM 1644 H18 KQP A 152 6.912 -15.465 16.721 1.00 0.02 H HETATM 1645 H19 KQP A 152 8.496 -14.630 16.581 1.00 0.02 H HETATM 1646 H4 KQP A 152 5.897 -13.557 17.966 1.00 0.03 H HETATM 1647 H5 KQP A 152 7.594 -13.247 18.465 1.00 0.03 H HETATM 1648 H6 KQP A 152 8.047 -11.900 16.411 1.00 0.02 H HETATM 1649 H7 KQP A 152 6.277 -11.603 16.475 1.00 0.02 H HETATM 1650 C22 KQP A 152 8.103 -13.364 14.788 1.00 0.18 C HETATM 1651 N23 KQP A 152 8.410 -12.221 14.341 1.00 -0.28 N HETATM 1652 H20 KQP A 152 9.255 -12.104 13.764 1.00 0.32 H HETATM 1653 H21 KQP A 152 7.815 -11.408 14.554 1.00 0.32 H HETATM 1654 N24 KQP A 152 8.977 -14.493 14.498 1.00 -0.28 N HETATM 1655 H22 KQP A 152 9.819 -14.358 13.920 1.00 0.32 H HETATM 1656 H23 KQP A 152 8.753 -15.427 14.871 1.00 0.32 H HETATM 1657 H3 KQP A 152 6.512 -15.851 14.063 1.00 0.09 H HETATM 1658 H15 KQP A 152 5.373 -17.628 13.854 1.00 0.07 H HETATM 1659 H14 KQP A 152 5.144 -19.818 12.682 1.00 0.08 H HETATM 1660 H1 KQP A 152 3.738 -17.775 9.166 1.00 0.08 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1613 1614 1629 1660 CONECT 1614 1613 1615 1626 CONECT 1615 1614 1616 1620 1624 CONECT 1616 1615 1617 1618 1619 CONECT 1617 1616 CONECT 1618 1616 CONECT 1619 1616 CONECT 1620 1615 1621 1622 1623 CONECT 1621 1620 CONECT 1622 1620 CONECT 1623 1620 CONECT 1624 1615 1625 CONECT 1625 1624 CONECT 1626 1614 1627 1659 CONECT 1627 1626 1628 1658 CONECT 1628 1627 1629 1631 CONECT 1629 1613 1628 1630 CONECT 1630 1629 CONECT 1631 1628 1632 1636 CONECT 1632 1631 1633 1657 CONECT 1633 1632 1634 1640 CONECT 1634 1633 1635 1639 CONECT 1635 1634 1636 1638 CONECT 1636 1631 1635 1637 CONECT 1637 1636 CONECT 1638 1635 CONECT 1639 1634 CONECT 1640 1633 1641 1643 1650 CONECT 1641 1640 1642 1648 1649 CONECT 1642 1641 1643 1646 1647 CONECT 1643 1640 1642 1644 1645 CONECT 1644 1643 CONECT 1645 1643 CONECT 1646 1642 CONECT 1647 1642 CONECT 1648 1641 CONECT 1649 1641 CONECT 1650 1640 1651 1654 CONECT 1651 1650 1652 1653 CONECT 1652 1651 CONECT 1653 1651 CONECT 1654 1650 1655 1656 CONECT 1655 1654 CONECT 1656 1654 CONECT 1657 1632 CONECT 1658 1627 CONECT 1659 1626 CONECT 1660 1613 MASTER 0 0 0 0 0 0 0 0 1659 1 52 11 END
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Structure:
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Related entries of code: 6nco
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6ncn
RCSB PDB
PDBbind
185aa, >6NCN_1|Chain... *
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
6nco
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
apoE4
Ligand Name
KQP
EC.Number
E.C.-.-.-.-
Resolution
1.71(Å)
Affinity (Kd/Ki/IC50)
Kd=30uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 4120-4130
Ligand Properties
Formula
C
2
0
H
2
4
ClN
2
O
Molecular Weight
343.870
Exact Mass
343.158
No. of atoms
48
No. of bonds
50
Polar Surface Area
71.84
LOGP Value
5.79 (
Computed with XLOGP3
)
3.47 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
Clc1cc(cc(c1)C1(CCC1)C(=[NH2+])N)c1ccc(cc1)C(O)(C)C
InChI String
InChI=1S/C20H23ClN2O/c1-19(2,24)15-6-4-13(5-7-15)14-10-16(12-17(21)11-14)20(18(22)23)8-3-9-20/h4-7,10-12,24H,3,8-9H2,1-2H3,(H3,22,23)/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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