Browse entries in the PDBbind-CN Database
HEADER 5ZJY_COMPLEX COMPND 5ZJY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 173 HIS TYR ILE LYS HIS PRO LEU GLN ASN ARG TRP ALA LEU SEQRES 2 A 173 TRP PHE PHE LYS ASN ASP LYS SER LYS THR TRP GLN ALA SEQRES 3 A 173 ASN LEU ARG LEU ILE SER LYS PHE ASP THR VAL GLU ASP SEQRES 4 A 173 PHE TRP ALA LEU TYR ASN HIS ILE GLN LEU SER SER ASN SEQRES 5 A 173 LEU MET PRO GLY CYS ASP TYR SER LEU PHE LYS ASP GLY SEQRES 6 A 173 ILE GLU PRO MET TRP GLU ASP GLU LYS ASN LYS ARG GLY SEQRES 7 A 173 GLY ARG TRP LEU ILE THR LEU ASN LYS GLN GLN ARG ARG SEQRES 8 A 173 SER ASP LEU ASP ARG PHE TRP LEU GLU THR LEU LEU CYS SEQRES 9 A 173 LEU ILE GLY GLU SER PHE ASP ASP TYR SER ASP ASP VAL SEQRES 10 A 173 CYS GLY ALA VAL VAL ASN VAL ARG ALA LYS GLY ASP LYS SEQRES 11 A 173 ILE ALA ILE TRP THR THR GLU CYS GLU ASN ARG GLU ALA SEQRES 12 A 173 VAL THR HIS ILE GLY ARG VAL TYR LYS GLU ARG LEU GLY SEQRES 13 A 173 LEU PRO PRO LYS ILE VAL ILE GLY TYR GLN SER HIS ALA SEQRES 14 A 173 ASP THR ALA THR SEQRES 1 A 7 THR LYS ASN ARG PHE VAL VAL HET ACE A 330 248 ATOM 1 N HIS A 33 -4.822 -7.725 1.985 1.00 51.50 N ATOM 2 CA HIS A 33 -6.309 -7.950 1.987 1.00 51.22 C ATOM 3 C HIS A 33 -6.776 -8.954 3.056 1.00 49.91 C ATOM 4 O HIS A 33 -7.824 -8.753 3.665 1.00 48.49 O ATOM 5 CB HIS A 33 -6.793 -8.397 0.598 1.00 55.31 C ATOM 6 CG HIS A 33 -8.263 -8.196 0.370 1.00 59.96 C ATOM 7 ND1 HIS A 33 -9.166 -9.240 0.353 1.00 62.25 N ATOM 8 CD2 HIS A 33 -8.986 -7.072 0.148 1.00 62.20 C ATOM 9 CE1 HIS A 33 -10.380 -8.766 0.132 1.00 63.13 C ATOM 10 NE2 HIS A 33 -10.299 -7.453 0.004 1.00 63.09 N ATOM 11 HN3 HIS A 33 -4.337 -8.626 1.800 1.00 0.00 H ATOM 12 HN2 HIS A 33 -4.527 -7.355 2.911 1.00 0.00 H ATOM 13 HN1 HIS A 33 -4.577 -7.039 1.242 1.00 0.00 H ATOM 14 N TYR A 34 -6.023 -10.033 3.272 1.00 45.72 N ATOM 15 CA TYR A 34 -6.434 -11.046 4.249 1.00 42.70 C ATOM 16 C TYR A 34 -6.156 -10.586 5.703 1.00 39.09 C ATOM 17 O TYR A 34 -6.939 -10.875 6.603 1.00 39.62 O ATOM 18 CB TYR A 34 -5.784 -12.402 3.940 1.00 43.95 C ATOM 19 CG TYR A 34 -6.243 -13.535 4.845 1.00 42.77 C ATOM 20 CD1 TYR A 34 -7.593 -13.679 5.212 1.00 43.98 C ATOM 21 CD2 TYR A 34 -5.327 -14.469 5.334 1.00 45.78 C ATOM 22 CE1 TYR A 34 -8.009 -14.714 6.038 1.00 44.01 C ATOM 23 CE2 TYR A 34 -5.733 -15.507 6.165 1.00 46.45 C ATOM 24 CZ TYR A 34 -7.072 -15.627 6.516 1.00 46.10 C ATOM 25 OH TYR A 34 -7.468 -16.656 7.337 1.00 46.97 O ATOM 26 HH TYR A 34 -8.445 -16.599 7.488 1.00 0.00 H ATOM 27 H TYR A 34 -5.136 -10.157 2.743 1.00 0.00 H ATOM 28 N ILE A 35 -5.048 -9.880 5.907 1.00 34.74 N ATOM 29 CA ILE A 35 -4.754 -9.193 7.181 1.00 34.32 C ATOM 30 C ILE A 35 -5.614 -7.931 7.421 1.00 33.23 C ATOM 31 O ILE A 35 -5.804 -7.142 6.499 1.00 31.87 O ATOM 32 CB ILE A 35 -3.250 -8.819 7.227 1.00 38.50 C ATOM 33 CG1 ILE A 35 -2.842 -8.326 8.609 1.00 39.45 C ATOM 34 CG2 ILE A 35 -2.877 -7.774 6.172 1.00 40.80 C ATOM 35 CD1 ILE A 35 -1.342 -8.223 8.791 1.00 41.82 C ATOM 36 H ILE A 35 -4.356 -9.808 5.134 1.00 0.00 H ATOM 37 N LYS A 36 -6.088 -7.711 8.657 1.00 28.31 N ATOM 38 CA LYS A 36 -6.788 -6.462 8.998 1.00 28.56 C ATOM 39 C LYS A 36 -5.867 -5.241 8.997 1.00 27.64 C ATOM 40 O LYS A 36 -4.670 -5.365 9.301 1.00 26.48 O ATOM 41 CB LYS A 36 -7.467 -6.562 10.372 1.00 28.84 C ATOM 42 CG LYS A 36 -8.491 -7.666 10.480 1.00 29.69 C ATOM 43 CD LYS A 36 -9.401 -7.446 11.673 1.00 30.47 C ATOM 44 CE LYS A 36 -10.544 -8.424 11.671 1.00 32.02 C ATOM 45 NZ LYS A 36 -11.333 -8.331 12.924 1.00 32.86 N ATOM 46 HZ1 LYS A 36 -10.718 -8.541 13.736 1.00 0.00 H ATOM 47 HZ2 LYS A 36 -11.719 -7.370 13.019 1.00 0.00 H ATOM 48 HZ3 LYS A 36 -12.114 -9.017 12.892 1.00 0.00 H ATOM 49 H LYS A 36 -5.958 -8.438 9.389 1.00 0.00 H ATOM 50 N HIS A 37 -6.415 -4.068 8.666 1.00 24.95 N ATOM 51 CA HIS A 37 -5.654 -2.809 8.638 1.00 25.27 C ATOM 52 C HIS A 37 -5.837 -2.040 9.957 1.00 25.23 C ATOM 53 O HIS A 37 -6.916 -1.506 10.215 1.00 23.60 O ATOM 54 CB HIS A 37 -6.090 -1.940 7.467 1.00 28.67 C ATOM 55 CG HIS A 37 -5.702 -2.499 6.138 1.00 31.60 C ATOM 56 ND1 HIS A 37 -6.248 -3.659 5.641 1.00 33.88 N ATOM 57 CD2 HIS A 37 -4.810 -2.067 5.213 1.00 33.23 C ATOM 58 CE1 HIS A 37 -5.714 -3.917 4.459 1.00 35.94 C ATOM 59 NE2 HIS A 37 -4.839 -2.967 4.180 1.00 35.68 N ATOM 60 H HIS A 37 -7.424 -4.044 8.417 1.00 0.00 H ATOM 61 N PRO A 38 -4.805 -2.001 10.804 1.00 24.72 N ATOM 62 CA PRO A 38 -4.957 -1.341 12.091 1.00 23.73 C ATOM 63 C PRO A 38 -5.119 0.180 12.029 1.00 22.74 C ATOM 64 O PRO A 38 -4.507 0.864 11.213 1.00 21.58 O ATOM 65 CB PRO A 38 -3.664 -1.693 12.811 1.00 24.65 C ATOM 66 CG PRO A 38 -2.669 -1.835 11.714 1.00 27.71 C ATOM 67 CD PRO A 38 -3.411 -2.447 10.579 1.00 26.77 C ATOM 68 N LEU A 39 -5.946 0.685 12.928 1.00 21.68 N ATOM 69 CA LEU A 39 -6.071 2.106 13.161 1.00 21.34 C ATOM 70 C LEU A 39 -5.046 2.517 14.202 1.00 23.35 C ATOM 71 O LEU A 39 -4.604 1.694 15.022 1.00 24.23 O ATOM 72 CB LEU A 39 -7.495 2.453 13.653 1.00 20.66 C ATOM 73 CG LEU A 39 -8.644 2.122 12.692 1.00 20.68 C ATOM 74 CD1 LEU A 39 -9.987 2.348 13.370 1.00 19.88 C ATOM 75 CD2 LEU A 39 -8.539 2.886 11.378 1.00 20.21 C ATOM 76 H LEU A 39 -6.530 0.034 13.490 1.00 0.00 H ATOM 77 N GLN A 40 -4.705 3.797 14.204 1.00 22.74 N ATOM 78 CA GLN A 40 -3.803 4.335 15.224 1.00 23.16 C ATOM 79 C GLN A 40 -4.376 4.194 16.627 1.00 23.31 C ATOM 80 O GLN A 40 -3.642 3.862 17.569 1.00 23.67 O ATOM 81 CB GLN A 40 -3.502 5.788 14.956 1.00 23.54 C ATOM 82 CG GLN A 40 -2.283 6.269 15.702 1.00 25.31 C ATOM 83 CD GLN A 40 -1.896 7.641 15.272 1.00 27.27 C ATOM 84 OE1 GLN A 40 -1.456 7.838 14.142 1.00 25.81 O ATOM 85 NE2 GLN A 40 -2.096 8.621 16.155 1.00 31.02 N ATOM 86 HE22 GLN A 40 -2.471 8.401 17.100 1.00 0.00 H ATOM 87 HE21 GLN A 40 -1.877 9.605 15.898 1.00 0.00 H ATOM 88 H GLN A 40 -5.084 4.429 13.470 1.00 0.00 H ATOM 89 N ASN A 41 -5.688 4.395 16.742 1.00 21.82 N ATOM 90 CA ASN A 41 -6.400 4.405 18.013 1.00 22.80 C ATOM 91 C ASN A 41 -7.557 3.433 17.926 1.00 21.20 C ATOM 92 O ASN A 41 -8.086 3.162 16.833 1.00 21.25 O ATOM 93 CB ASN A 41 -6.946 5.810 18.342 1.00 23.58 C ATOM 94 CG ASN A 41 -5.873 6.760 18.822 1.00 25.65 C ATOM 95 OD1 ASN A 41 -5.342 6.590 19.916 1.00 28.50 O ATOM 96 ND2 ASN A 41 -5.530 7.756 17.996 1.00 23.03 N ATOM 97 HD22 ASN A 41 -6.009 7.859 17.079 1.00 0.00 H ATOM 98 HD21 ASN A 41 -4.784 8.427 18.272 1.00 0.00 H ATOM 99 H ASN A 41 -6.236 4.554 15.873 1.00 0.00 H ATOM 100 N ARG A 42 -7.898 2.887 19.089 1.00 20.91 N ATOM 101 CA ARG A 42 -9.139 2.188 19.303 1.00 21.73 C ATOM 102 C ARG A 42 -10.221 3.240 19.633 1.00 20.36 C ATOM 103 O ARG A 42 -9.993 4.198 20.390 1.00 19.87 O ATOM 104 CB ARG A 42 -8.981 1.205 20.464 1.00 23.48 C ATOM 105 CG ARG A 42 -10.188 0.326 20.744 1.00 24.87 C ATOM 106 CD ARG A 42 -9.753 -0.857 21.609 1.00 29.18 C ATOM 107 NE ARG A 42 -10.806 -1.812 21.948 1.00 34.08 N ATOM 108 CZ ARG A 42 -11.324 -2.756 21.144 1.00 39.25 C ATOM 109 NH1 ARG A 42 -10.970 -2.882 19.858 1.00 39.35 N ATOM 110 NH2 ARG A 42 -12.267 -3.573 21.631 1.00 41.83 N ATOM 111 HE ARG A 42 -11.195 -1.755 22.911 1.00 0.00 H ATOM 112 HH12 ARG A 42 -11.397 -3.628 19.272 1.00 0.00 H ATOM 113 HH11 ARG A 42 -10.269 -2.234 19.446 1.00 0.00 H ATOM 114 HH22 ARG A 42 -12.680 -4.310 21.025 1.00 0.00 H ATOM 115 HH21 ARG A 42 -12.586 -3.470 22.616 1.00 0.00 H ATOM 116 H ARG A 42 -7.234 2.969 19.886 1.00 0.00 H ATOM 117 N TRP A 43 -11.381 3.074 19.008 1.00 19.79 N ATOM 118 CA TRP A 43 -12.479 4.030 19.107 1.00 18.93 C ATOM 119 C TRP A 43 -13.715 3.310 19.612 1.00 19.58 C ATOM 120 O TRP A 43 -13.876 2.116 19.398 1.00 19.51 O ATOM 121 CB TRP A 43 -12.797 4.613 17.726 1.00 18.10 C ATOM 122 CG TRP A 43 -11.659 5.378 17.148 1.00 18.05 C ATOM 123 CD1 TRP A 43 -10.663 4.896 16.351 1.00 19.01 C ATOM 124 CD2 TRP A 43 -11.413 6.774 17.297 1.00 18.11 C ATOM 125 NE1 TRP A 43 -9.793 5.903 16.021 1.00 18.76 N ATOM 126 CE2 TRP A 43 -10.228 7.070 16.589 1.00 17.95 C ATOM 127 CE3 TRP A 43 -12.060 7.801 17.983 1.00 18.25 C ATOM 128 CZ2 TRP A 43 -9.702 8.357 16.523 1.00 18.44 C ATOM 129 CZ3 TRP A 43 -11.526 9.080 17.948 1.00 19.16 C ATOM 130 CH2 TRP A 43 -10.350 9.351 17.210 1.00 18.98 C ATOM 131 HE1 TRP A 43 -8.941 5.797 15.434 1.00 0.00 H ATOM 132 H TRP A 43 -11.513 2.225 18.422 1.00 0.00 H ATOM 133 N ALA A 44 -14.598 4.078 20.244 1.00 18.84 N ATOM 134 CA ALA A 44 -15.851 3.568 20.791 1.00 19.15 C ATOM 135 C ALA A 44 -16.991 4.388 20.240 1.00 18.27 C ATOM 136 O ALA A 44 -16.949 5.631 20.310 1.00 20.03 O ATOM 137 CB ALA A 44 -15.852 3.674 22.295 1.00 20.04 C ATOM 138 H ALA A 44 -14.385 5.090 20.354 1.00 0.00 H ATOM 139 N LEU A 45 -18.003 3.696 19.741 1.00 19.30 N ATOM 140 CA LEU A 45 -19.225 4.338 19.261 1.00 19.55 C ATOM 141 C LEU A 45 -20.252 4.269 20.380 1.00 20.30 C ATOM 142 O LEU A 45 -20.478 3.194 20.928 1.00 20.86 O ATOM 143 CB LEU A 45 -19.756 3.646 18.026 1.00 21.41 C ATOM 144 CG LEU A 45 -21.039 4.312 17.463 1.00 23.66 C ATOM 145 CD1 LEU A 45 -20.701 5.653 16.828 1.00 22.99 C ATOM 146 CD2 LEU A 45 -21.687 3.412 16.434 1.00 24.95 C ATOM 147 H LEU A 45 -17.926 2.660 19.689 1.00 0.00 H ATOM 148 N TRP A 46 -20.856 5.423 20.673 1.00 20.42 N ATOM 149 CA TRP A 46 -21.876 5.601 21.708 1.00 20.71 C ATOM 150 C TRP A 46 -23.161 6.107 21.080 1.00 20.63 C ATOM 151 O TRP A 46 -23.130 6.811 20.089 1.00 19.91 O ATOM 152 CB TRP A 46 -21.428 6.661 22.705 1.00 21.09 C ATOM 153 CG TRP A 46 -20.173 6.316 23.442 1.00 21.26 C ATOM 154 CD1 TRP A 46 -18.898 6.404 22.980 1.00 20.06 C ATOM 155 CD2 TRP A 46 -20.085 5.865 24.789 1.00 22.10 C ATOM 156 NE1 TRP A 46 -18.009 6.034 23.964 1.00 21.02 N ATOM 157 CE2 TRP A 46 -18.722 5.676 25.078 1.00 22.34 C ATOM 158 CE3 TRP A 46 -21.035 5.573 25.773 1.00 24.58 C ATOM 159 CZ2 TRP A 46 -18.282 5.233 26.320 1.00 24.28 C ATOM 160 CZ3 TRP A 46 -20.599 5.138 27.007 1.00 25.79 C ATOM 161 CH2 TRP A 46 -19.236 4.964 27.265 1.00 25.17 C ATOM 162 HE1 TRP A 46 -16.973 6.027 23.877 1.00 0.00 H ATOM 163 H TRP A 46 -20.580 6.261 20.123 1.00 0.00 H ATOM 164 N PHE A 47 -24.281 5.751 21.692 1.00 22.68 N ATOM 165 CA PHE A 47 -25.591 6.206 21.245 1.00 23.35 C ATOM 166 C PHE A 47 -26.271 6.845 22.438 1.00 24.59 C ATOM 167 O PHE A 47 -26.157 6.329 23.548 1.00 27.05 O ATOM 168 CB PHE A 47 -26.387 5.011 20.729 1.00 24.55 C ATOM 169 CG PHE A 47 -27.810 5.330 20.374 1.00 24.54 C ATOM 170 CD1 PHE A 47 -28.105 6.083 19.254 1.00 24.83 C ATOM 171 CD2 PHE A 47 -28.854 4.876 21.161 1.00 25.59 C ATOM 172 CE1 PHE A 47 -29.417 6.371 18.916 1.00 24.70 C ATOM 173 CE2 PHE A 47 -30.176 5.163 20.823 1.00 26.61 C ATOM 174 CZ PHE A 47 -30.447 5.911 19.700 1.00 26.02 C ATOM 175 H PHE A 47 -24.223 5.125 22.520 1.00 0.00 H ATOM 176 N PHE A 48 -26.962 7.963 22.215 1.00 24.46 N ATOM 177 CA PHE A 48 -27.718 8.615 23.268 1.00 24.21 C ATOM 178 C PHE A 48 -29.179 8.492 22.844 1.00 26.42 C ATOM 179 O PHE A 48 -29.537 8.939 21.765 1.00 24.24 O ATOM 180 CB PHE A 48 -27.304 10.069 23.394 1.00 25.67 C ATOM 181 CG PHE A 48 -28.106 10.835 24.406 1.00 27.11 C ATOM 182 CD1 PHE A 48 -29.347 11.364 24.072 1.00 27.87 C ATOM 183 CD2 PHE A 48 -27.629 10.991 25.706 1.00 28.56 C ATOM 184 CE1 PHE A 48 -30.096 12.054 25.022 1.00 30.10 C ATOM 185 CE2 PHE A 48 -28.372 11.677 26.648 1.00 29.98 C ATOM 186 CZ PHE A 48 -29.602 12.202 26.311 1.00 30.38 C ATOM 187 H PHE A 48 -26.959 8.379 21.262 1.00 0.00 H ATOM 188 N LYS A 49 -30.000 7.870 23.686 1.00 28.73 N ATOM 189 CA LYS A 49 -31.432 7.723 23.402 1.00 34.40 C ATOM 190 C LYS A 49 -32.166 8.795 24.165 1.00 35.53 C ATOM 191 O LYS A 49 -32.027 8.883 25.372 1.00 37.49 O ATOM 192 CB LYS A 49 -31.934 6.347 23.830 1.00 35.24 C ATOM 193 CG LYS A 49 -33.443 6.124 23.686 1.00 37.64 C ATOM 194 CD LYS A 49 -33.994 6.540 22.330 1.00 40.30 C ATOM 195 CE LYS A 49 -35.473 6.219 22.203 1.00 43.46 C ATOM 196 NZ LYS A 49 -36.085 6.850 21.005 1.00 44.83 N ATOM 197 HZ1 LYS A 49 -35.983 7.883 21.068 1.00 0.00 H ATOM 198 HZ2 LYS A 49 -35.605 6.505 20.149 1.00 0.00 H ATOM 199 HZ3 LYS A 49 -37.094 6.602 20.962 1.00 0.00 H ATOM 200 H LYS A 49 -29.616 7.477 24.569 1.00 0.00 H ATOM 201 N ASN A 50 -32.928 9.617 23.458 1.00 41.84 N ATOM 202 CA ASN A 50 -33.781 10.610 24.079 1.00 44.15 C ATOM 203 C ASN A 50 -34.827 9.911 24.969 1.00 45.43 C ATOM 204 O ASN A 50 -35.747 9.282 24.450 1.00 44.39 O ATOM 205 CB ASN A 50 -34.478 11.436 22.988 1.00 46.02 C ATOM 206 CG ASN A 50 -35.135 12.688 23.523 1.00 49.88 C ATOM 207 OD1 ASN A 50 -34.741 13.222 24.560 1.00 56.53 O ATOM 208 ND2 ASN A 50 -36.132 13.182 22.799 1.00 51.92 N ATOM 209 HD22 ASN A 50 -36.432 12.698 21.929 1.00 0.00 H ATOM 210 HD21 ASN A 50 -36.613 14.053 23.102 1.00 0.00 H ATOM 211 H ASN A 50 -32.913 9.547 22.420 1.00 0.00 H ATOM 212 N ASP A 51 -34.641 9.991 26.289 1.00 44.87 N ATOM 213 CA ASP A 51 -35.639 9.534 27.278 1.00 49.29 C ATOM 214 C ASP A 51 -35.641 10.481 28.484 1.00 49.71 C ATOM 215 O ASP A 51 -34.856 10.312 29.430 1.00 49.97 O ATOM 216 CB ASP A 51 -35.379 8.079 27.715 1.00 49.56 C ATOM 217 CG ASP A 51 -36.446 7.541 28.686 1.00 51.25 C ATOM 218 OD1 ASP A 51 -37.409 8.262 29.008 1.00 51.11 O ATOM 219 OD2 ASP A 51 -36.316 6.381 29.130 1.00 53.50 O ATOM 220 H ASP A 51 -33.749 10.395 26.638 1.00 0.00 H ATOM 221 N LYS A 52 -36.553 11.459 28.437 1.00 55.12 N ATOM 222 CA LYS A 52 -36.695 12.507 29.465 1.00 56.84 C ATOM 223 C LYS A 52 -36.913 12.019 30.907 1.00 59.17 C ATOM 224 O LYS A 52 -36.599 12.746 31.854 1.00 57.99 O ATOM 225 CB LYS A 52 -37.838 13.457 29.087 1.00 55.86 C ATOM 226 H LYS A 52 -37.202 11.482 27.625 1.00 0.00 H ATOM 227 N SER A 53 -37.444 10.804 31.072 1.00 62.60 N ATOM 228 CA SER A 53 -37.632 10.208 32.407 1.00 64.53 C ATOM 229 C SER A 53 -36.340 9.733 33.098 1.00 64.20 C ATOM 230 O SER A 53 -36.390 9.364 34.276 1.00 65.21 O ATOM 231 CB SER A 53 -38.636 9.049 32.340 1.00 65.56 C ATOM 232 OG SER A 53 -38.189 8.021 31.471 1.00 67.86 O ATOM 233 HG SER A 53 -38.074 8.388 30.559 1.00 0.00 H ATOM 234 H SER A 53 -37.734 10.262 30.233 1.00 0.00 H ATOM 235 N LYS A 54 -35.206 9.729 32.380 1.00 61.13 N ATOM 236 CA LYS A 54 -33.901 9.349 32.952 1.00 57.07 C ATOM 237 C LYS A 54 -32.919 10.524 32.956 1.00 53.64 C ATOM 238 O LYS A 54 -33.122 11.527 32.263 1.00 53.68 O ATOM 239 CB LYS A 54 -33.294 8.162 32.184 1.00 60.24 C ATOM 240 CG LYS A 54 -34.308 7.105 31.753 1.00 61.96 C ATOM 241 CD LYS A 54 -33.761 5.681 31.793 1.00 63.34 C ATOM 242 CE LYS A 54 -32.692 5.420 30.744 1.00 64.13 C ATOM 243 NZ LYS A 54 -32.197 4.016 30.810 1.00 62.75 N ATOM 244 HZ1 LYS A 54 -31.789 3.837 31.750 1.00 0.00 H ATOM 245 HZ2 LYS A 54 -32.989 3.362 30.645 1.00 0.00 H ATOM 246 HZ3 LYS A 54 -31.469 3.872 30.081 1.00 0.00 H ATOM 247 H LYS A 54 -35.249 10.005 31.378 1.00 0.00 H ATOM 248 N THR A 55 -31.860 10.389 33.753 1.00 45.84 N ATOM 249 CA THR A 55 -30.793 11.386 33.816 1.00 44.00 C ATOM 250 C THR A 55 -29.983 11.322 32.502 1.00 40.89 C ATOM 251 O THR A 55 -29.981 10.283 31.836 1.00 39.91 O ATOM 252 CB THR A 55 -29.915 11.183 35.084 1.00 45.72 C ATOM 253 OG1 THR A 55 -29.147 12.359 35.356 1.00 47.42 O ATOM 254 CG2 THR A 55 -28.977 9.989 34.960 1.00 45.36 C ATOM 255 HG1 THR A 55 -28.558 12.553 34.584 1.00 0.00 H ATOM 256 H THR A 55 -31.790 9.542 34.353 1.00 0.00 H ATOM 257 N TRP A 56 -29.341 12.425 32.123 1.00 37.41 N ATOM 258 CA TRP A 56 -28.588 12.491 30.852 1.00 35.61 C ATOM 259 C TRP A 56 -27.583 11.340 30.736 1.00 34.63 C ATOM 260 O TRP A 56 -27.610 10.584 29.755 1.00 32.82 O ATOM 261 CB TRP A 56 -27.892 13.848 30.678 1.00 32.90 C ATOM 262 CG TRP A 56 -27.266 14.028 29.307 1.00 31.84 C ATOM 263 CD1 TRP A 56 -27.863 14.533 28.189 1.00 32.14 C ATOM 264 CD2 TRP A 56 -25.930 13.687 28.930 1.00 31.31 C ATOM 265 NE1 TRP A 56 -26.977 14.528 27.131 1.00 30.94 N ATOM 266 CE2 TRP A 56 -25.786 14.003 27.560 1.00 32.05 C ATOM 267 CE3 TRP A 56 -24.842 13.132 29.614 1.00 31.92 C ATOM 268 CZ2 TRP A 56 -24.587 13.790 26.864 1.00 30.60 C ATOM 269 CZ3 TRP A 56 -23.652 12.923 28.924 1.00 32.73 C ATOM 270 CH2 TRP A 56 -23.538 13.248 27.557 1.00 31.38 C ATOM 271 HE1 TRP A 56 -27.179 14.866 26.169 1.00 0.00 H ATOM 272 H TRP A 56 -29.370 13.263 32.738 1.00 0.00 H ATOM 273 N GLN A 57 -26.729 11.165 31.743 1.00 35.44 N ATOM 274 CA GLN A 57 -25.731 10.075 31.697 1.00 35.80 C ATOM 275 C GLN A 57 -26.305 8.657 31.533 1.00 35.43 C ATOM 276 O GLN A 57 -25.694 7.832 30.860 1.00 35.34 O ATOM 277 CB GLN A 57 -24.806 10.116 32.919 1.00 39.04 C ATOM 278 CG GLN A 57 -23.847 11.296 32.929 1.00 41.18 C ATOM 279 CD GLN A 57 -22.755 11.173 33.979 1.00 44.23 C ATOM 280 OE1 GLN A 57 -22.450 10.080 34.454 1.00 49.21 O ATOM 281 NE2 GLN A 57 -22.157 12.298 34.339 1.00 44.61 N ATOM 282 HE22 GLN A 57 -22.447 13.201 33.912 1.00 0.00 H ATOM 283 HE21 GLN A 57 -21.398 12.279 35.049 1.00 0.00 H ATOM 284 H GLN A 57 -26.764 11.799 32.567 1.00 0.00 H ATOM 285 N ALA A 58 -27.470 8.372 32.118 1.00 34.48 N ATOM 286 CA ALA A 58 -28.090 7.039 32.027 1.00 34.55 C ATOM 287 C ALA A 58 -28.604 6.720 30.629 1.00 34.33 C ATOM 288 O ALA A 58 -28.792 5.554 30.295 1.00 35.20 O ATOM 289 CB ALA A 58 -29.231 6.902 33.024 1.00 36.25 C ATOM 290 H ALA A 58 -27.957 9.117 32.657 1.00 0.00 H ATOM 291 N ASN A 59 -28.847 7.765 29.832 1.00 31.91 N ATOM 292 CA ASN A 59 -29.258 7.614 28.438 1.00 31.48 C ATOM 293 C ASN A 59 -28.128 7.332 27.453 1.00 29.50 C ATOM 294 O ASN A 59 -28.416 7.053 26.300 1.00 31.03 O ATOM 295 CB ASN A 59 -30.047 8.848 27.995 1.00 31.17 C ATOM 296 CG ASN A 59 -31.435 8.891 28.617 1.00 33.93 C ATOM 297 OD1 ASN A 59 -32.044 7.842 28.845 1.00 33.29 O ATOM 298 ND2 ASN A 59 -31.939 10.095 28.882 1.00 32.75 N ATOM 299 HD22 ASN A 59 -31.384 10.949 28.671 1.00 0.00 H ATOM 300 HD21 ASN A 59 -32.887 10.181 29.300 1.00 0.00 H ATOM 301 H ASN A 59 -28.739 8.724 30.220 1.00 0.00 H ATOM 302 N LEU A 60 -26.876 7.395 27.907 1.00 30.66 N ATOM 303 CA LEU A 60 -25.731 6.946 27.106 1.00 30.36 C ATOM 304 C LEU A 60 -25.608 5.439 27.065 1.00 31.58 C ATOM 305 O LEU A 60 -25.793 4.746 28.076 1.00 31.54 O ATOM 306 CB LEU A 60 -24.408 7.514 27.622 1.00 31.45 C ATOM 307 CG LEU A 60 -23.997 8.905 27.199 1.00 30.44 C ATOM 308 CD1 LEU A 60 -22.713 9.263 27.917 1.00 30.57 C ATOM 309 CD2 LEU A 60 -23.829 8.973 25.678 1.00 29.02 C ATOM 310 H LEU A 60 -26.705 7.775 28.860 1.00 0.00 H ATOM 311 N ARG A 61 -25.236 4.943 25.895 1.00 27.98 N ATOM 312 CA ARG A 61 -25.099 3.527 25.636 1.00 31.56 C ATOM 313 C ARG A 61 -23.831 3.282 24.804 1.00 31.31 C ATOM 314 O ARG A 61 -23.726 3.787 23.687 1.00 27.06 O ATOM 315 CB ARG A 61 -26.327 3.135 24.843 1.00 36.19 C ATOM 316 CG ARG A 61 -26.623 1.673 24.705 1.00 40.54 C ATOM 317 CD ARG A 61 -28.061 1.565 24.227 1.00 44.14 C ATOM 318 NE ARG A 61 -28.348 0.268 23.639 1.00 48.86 N ATOM 319 CZ ARG A 61 -29.363 0.005 22.815 1.00 50.85 C ATOM 320 NH1 ARG A 61 -30.227 0.952 22.434 1.00 50.90 N ATOM 321 NH2 ARG A 61 -29.506 -1.234 22.356 1.00 52.44 N ATOM 322 HE ARG A 61 -27.711 -0.518 23.880 1.00 0.00 H ATOM 323 HH12 ARG A 61 -31.008 0.714 21.790 1.00 0.00 H ATOM 324 HH11 ARG A 61 -30.118 1.926 22.782 1.00 0.00 H ATOM 325 HH22 ARG A 61 -30.290 -1.463 21.712 1.00 0.00 H ATOM 326 HH21 ARG A 61 -28.834 -1.975 22.641 1.00 0.00 H ATOM 327 H ARG A 61 -25.031 5.607 25.121 1.00 0.00 H ATOM 328 N LEU A 62 -22.867 2.535 25.344 1.00 30.77 N ATOM 329 CA LEU A 62 -21.731 2.071 24.535 1.00 30.41 C ATOM 330 C LEU A 62 -22.225 1.010 23.537 1.00 30.66 C ATOM 331 O LEU A 62 -22.738 -0.058 23.934 1.00 30.77 O ATOM 332 CB LEU A 62 -20.603 1.509 25.429 1.00 31.01 C ATOM 333 CG LEU A 62 -19.405 0.854 24.733 1.00 33.02 C ATOM 334 CD1 LEU A 62 -18.774 1.805 23.750 1.00 31.50 C ATOM 335 CD2 LEU A 62 -18.375 0.375 25.757 1.00 33.70 C ATOM 336 H LEU A 62 -22.920 2.278 26.350 1.00 0.00 H ATOM 337 N ILE A 63 -22.105 1.310 22.245 1.00 25.94 N ATOM 338 CA ILE A 63 -22.493 0.376 21.197 1.00 25.61 C ATOM 339 C ILE A 63 -21.406 -0.657 20.914 1.00 26.45 C ATOM 340 O ILE A 63 -21.649 -1.864 21.001 1.00 26.57 O ATOM 341 CB ILE A 63 -22.894 1.125 19.902 1.00 27.67 C ATOM 342 CG1 ILE A 63 -24.056 2.105 20.182 1.00 27.91 C ATOM 343 CG2 ILE A 63 -23.213 0.152 18.781 1.00 28.33 C ATOM 344 CD1 ILE A 63 -25.289 1.472 20.797 1.00 31.06 C ATOM 345 H ILE A 63 -21.723 2.239 21.976 1.00 0.00 H ATOM 346 N SER A 64 -20.204 -0.201 20.554 1.00 24.02 N ATOM 347 CA SER A 64 -19.095 -1.131 20.311 1.00 25.00 C ATOM 348 C SER A 64 -17.792 -0.379 20.126 1.00 22.98 C ATOM 349 O SER A 64 -17.774 0.837 20.057 1.00 23.71 O ATOM 350 CB SER A 64 -19.356 -2.040 19.105 1.00 26.75 C ATOM 351 OG SER A 64 -19.857 -1.303 18.018 1.00 29.86 O ATOM 352 HG SER A 64 -20.017 -1.912 17.254 1.00 0.00 H ATOM 353 H SER A 64 -20.052 0.822 20.445 1.00 0.00 H ATOM 354 N LYS A 65 -16.706 -1.141 20.150 1.00 22.58 N ATOM 355 CA LYS A 65 -15.369 -0.609 20.001 1.00 21.64 C ATOM 356 C LYS A 65 -14.686 -1.302 18.833 1.00 22.07 C ATOM 357 O LYS A 65 -14.938 -2.482 18.545 1.00 24.35 O ATOM 358 CB LYS A 65 -14.558 -0.794 21.279 1.00 22.71 C ATOM 359 CG LYS A 65 -15.074 -0.017 22.475 1.00 24.64 C ATOM 360 CD LYS A 65 -14.145 -0.172 23.661 1.00 27.20 C ATOM 361 CE LYS A 65 -14.696 0.533 24.888 1.00 29.47 C ATOM 362 NZ LYS A 65 -13.787 0.392 26.056 1.00 29.37 N ATOM 363 HZ1 LYS A 65 -13.669 -0.616 26.282 1.00 0.00 H ATOM 364 HZ2 LYS A 65 -12.862 0.808 25.826 1.00 0.00 H ATOM 365 HZ3 LYS A 65 -14.197 0.886 26.874 1.00 0.00 H ATOM 366 H LYS A 65 -16.821 -2.166 20.282 1.00 0.00 H ATOM 367 N PHE A 66 -13.803 -0.577 18.155 1.00 20.41 N ATOM 368 CA PHE A 66 -13.058 -1.143 17.031 1.00 19.49 C ATOM 369 C PHE A 66 -11.680 -0.503 16.920 1.00 19.44 C ATOM 370 O PHE A 66 -11.463 0.617 17.395 1.00 18.31 O ATOM 371 CB PHE A 66 -13.837 -0.968 15.721 1.00 19.07 C ATOM 372 CG PHE A 66 -14.124 0.442 15.401 1.00 19.04 C ATOM 373 CD1 PHE A 66 -13.206 1.202 14.668 1.00 18.18 C ATOM 374 CD2 PHE A 66 -15.292 1.041 15.839 1.00 19.17 C ATOM 375 CE1 PHE A 66 -13.443 2.534 14.410 1.00 19.76 C ATOM 376 CE2 PHE A 66 -15.533 2.373 15.571 1.00 18.53 C ATOM 377 CZ PHE A 66 -14.607 3.123 14.870 1.00 18.68 C ATOM 378 H PHE A 66 -13.638 0.413 18.429 1.00 0.00 H ATOM 379 N ASP A 67 -10.747 -1.234 16.323 1.00 21.19 N ATOM 380 CA ASP A 67 -9.411 -0.708 16.097 1.00 21.94 C ATOM 381 C ASP A 67 -8.803 -1.087 14.759 1.00 21.54 C ATOM 382 O ASP A 67 -7.571 -0.985 14.585 1.00 22.85 O ATOM 383 CB ASP A 67 -8.483 -1.101 17.249 1.00 23.19 C ATOM 384 CG ASP A 67 -8.334 -2.596 17.414 1.00 26.35 C ATOM 385 OD1 ASP A 67 -8.695 -3.377 16.510 1.00 25.24 O ATOM 386 OD2 ASP A 67 -7.857 -2.989 18.502 1.00 32.03 O ATOM 387 H ASP A 67 -10.976 -2.200 16.012 1.00 0.00 H ATOM 388 N THR A 68 -9.650 -1.469 13.809 1.00 20.34 N ATOM 389 CA THR A 68 -9.218 -1.672 12.436 1.00 19.84 C ATOM 390 C THR A 68 -10.211 -1.042 11.485 1.00 19.31 C ATOM 391 O THR A 68 -11.362 -0.788 11.837 1.00 19.76 O ATOM 392 CB THR A 68 -9.116 -3.156 12.063 1.00 20.48 C ATOM 393 OG1 THR A 68 -10.414 -3.743 12.055 1.00 21.75 O ATOM 394 CG2 THR A 68 -8.251 -3.907 13.063 1.00 22.08 C ATOM 395 HG1 THR A 68 -10.819 -3.658 12.955 1.00 0.00 H ATOM 396 H THR A 68 -10.648 -1.627 14.054 1.00 0.00 H ATOM 397 N VAL A 69 -9.738 -0.838 10.257 1.00 18.83 N ATOM 398 CA VAL A 69 -10.561 -0.271 9.206 1.00 20.52 C ATOM 399 C VAL A 69 -11.744 -1.188 8.899 1.00 20.84 C ATOM 400 O VAL A 69 -12.899 -0.720 8.772 1.00 19.64 O ATOM 401 CB VAL A 69 -9.753 0.031 7.933 1.00 20.56 C ATOM 402 CG1 VAL A 69 -10.675 0.569 6.840 1.00 22.23 C ATOM 403 CG2 VAL A 69 -8.631 1.012 8.233 1.00 21.86 C ATOM 404 H VAL A 69 -8.752 -1.092 10.046 1.00 0.00 H ATOM 405 N GLU A 70 -11.465 -2.481 8.756 1.00 20.26 N ATOM 406 CA GLU A 70 -12.510 -3.446 8.435 1.00 21.44 C ATOM 407 C GLU A 70 -13.596 -3.502 9.506 1.00 20.66 C ATOM 408 O GLU A 70 -14.798 -3.538 9.193 1.00 22.27 O ATOM 409 CB GLU A 70 -11.915 -4.832 8.175 1.00 22.52 C ATOM 410 CG GLU A 70 -11.034 -4.862 6.931 1.00 23.29 C ATOM 411 CD GLU A 70 -9.551 -4.641 7.204 1.00 25.68 C ATOM 412 OE1 GLU A 70 -9.179 -3.956 8.183 1.00 24.98 O ATOM 413 OE2 GLU A 70 -8.742 -5.144 6.398 1.00 27.57 O ATOM 414 H GLU A 70 -10.485 -2.809 8.875 1.00 0.00 H ATOM 415 N ASP A 71 -13.179 -3.457 10.766 1.00 21.59 N ATOM 416 CA ASP A 71 -14.111 -3.476 11.884 1.00 21.32 C ATOM 417 C ASP A 71 -14.915 -2.168 11.976 1.00 20.43 C ATOM 418 O ASP A 71 -16.082 -2.217 12.341 1.00 21.14 O ATOM 419 CB ASP A 71 -13.398 -3.794 13.190 1.00 21.94 C ATOM 420 CG ASP A 71 -12.794 -5.205 13.192 1.00 23.90 C ATOM 421 OD1 ASP A 71 -13.405 -6.110 12.590 1.00 26.26 O ATOM 422 OD2 ASP A 71 -11.705 -5.391 13.777 1.00 26.66 O ATOM 423 H ASP A 71 -12.158 -3.407 10.959 1.00 0.00 H ATOM 424 N PHE A 72 -14.309 -1.032 11.642 1.00 18.61 N ATOM 425 CA PHE A 72 -15.107 0.199 11.460 1.00 18.80 C ATOM 426 C PHE A 72 -16.261 0.003 10.483 1.00 18.44 C ATOM 427 O PHE A 72 -17.419 0.304 10.806 1.00 19.00 O ATOM 428 CB PHE A 72 -14.268 1.396 10.988 1.00 18.00 C ATOM 429 CG PHE A 72 -15.120 2.563 10.563 1.00 17.80 C ATOM 430 CD1 PHE A 72 -15.790 3.327 11.506 1.00 17.77 C ATOM 431 CD2 PHE A 72 -15.292 2.854 9.222 1.00 17.53 C ATOM 432 CE1 PHE A 72 -16.608 4.375 11.111 1.00 19.12 C ATOM 433 CE2 PHE A 72 -16.113 3.896 8.815 1.00 16.96 C ATOM 434 CZ PHE A 72 -16.748 4.672 9.763 1.00 18.28 C ATOM 435 H PHE A 72 -13.278 -1.010 11.509 1.00 0.00 H ATOM 436 N TRP A 73 -15.958 -0.472 9.279 1.00 18.93 N ATOM 437 CA TRP A 73 -17.016 -0.612 8.259 1.00 19.69 C ATOM 438 C TRP A 73 -18.056 -1.643 8.640 1.00 20.58 C ATOM 439 O TRP A 73 -19.251 -1.429 8.391 1.00 21.93 O ATOM 440 CB TRP A 73 -16.431 -0.907 6.880 1.00 20.25 C ATOM 441 CG TRP A 73 -15.728 0.285 6.304 1.00 19.30 C ATOM 442 CD1 TRP A 73 -14.397 0.411 6.040 1.00 20.53 C ATOM 443 CD2 TRP A 73 -16.326 1.529 5.935 1.00 19.66 C ATOM 444 NE1 TRP A 73 -14.122 1.662 5.538 1.00 20.42 N ATOM 445 CE2 TRP A 73 -15.294 2.369 5.466 1.00 20.20 C ATOM 446 CE3 TRP A 73 -17.636 2.017 5.962 1.00 21.39 C ATOM 447 CZ2 TRP A 73 -15.530 3.670 5.041 1.00 21.36 C ATOM 448 CZ3 TRP A 73 -17.872 3.307 5.533 1.00 22.42 C ATOM 449 CH2 TRP A 73 -16.828 4.113 5.061 1.00 21.22 C ATOM 450 HE1 TRP A 73 -13.183 2.012 5.260 1.00 0.00 H ATOM 451 H TRP A 73 -14.979 -0.744 9.056 1.00 0.00 H ATOM 452 N ALA A 74 -17.621 -2.752 9.245 1.00 22.03 N ATOM 453 CA ALA A 74 -18.568 -3.780 9.713 1.00 24.41 C ATOM 454 C ALA A 74 -19.593 -3.204 10.714 1.00 24.72 C ATOM 455 O ALA A 74 -20.759 -3.606 10.734 1.00 26.65 O ATOM 456 CB ALA A 74 -17.820 -4.957 10.330 1.00 25.22 C ATOM 457 H ALA A 74 -16.600 -2.892 9.388 1.00 0.00 H ATOM 458 N LEU A 75 -19.149 -2.266 11.543 1.00 21.45 N ATOM 459 CA LEU A 75 -20.023 -1.581 12.479 1.00 20.40 C ATOM 460 C LEU A 75 -20.903 -0.561 11.740 1.00 20.37 C ATOM 461 O LEU A 75 -22.134 -0.625 11.808 1.00 21.17 O ATOM 462 CB LEU A 75 -19.216 -0.897 13.577 1.00 21.34 C ATOM 463 CG LEU A 75 -20.007 -0.025 14.541 1.00 21.21 C ATOM 464 CD1 LEU A 75 -21.060 -0.841 15.284 1.00 21.75 C ATOM 465 CD2 LEU A 75 -19.025 0.674 15.471 1.00 21.70 C ATOM 466 H LEU A 75 -18.140 -2.013 11.521 1.00 0.00 H ATOM 467 N TYR A 76 -20.262 0.346 11.006 1.00 19.97 N ATOM 468 CA TYR A 76 -20.956 1.436 10.321 1.00 20.65 C ATOM 469 C TYR A 76 -22.029 0.949 9.358 1.00 21.19 C ATOM 470 O TYR A 76 -23.143 1.499 9.312 1.00 20.80 O ATOM 471 CB TYR A 76 -19.960 2.352 9.581 1.00 20.58 C ATOM 472 CG TYR A 76 -20.665 3.510 8.893 1.00 21.64 C ATOM 473 CD1 TYR A 76 -21.010 4.661 9.590 1.00 22.77 C ATOM 474 CD2 TYR A 76 -21.020 3.426 7.563 1.00 23.72 C ATOM 475 CE1 TYR A 76 -21.692 5.699 8.967 1.00 23.67 C ATOM 476 CE2 TYR A 76 -21.700 4.462 6.939 1.00 24.15 C ATOM 477 CZ TYR A 76 -22.015 5.592 7.647 1.00 24.13 C ATOM 478 OH TYR A 76 -22.702 6.615 7.009 1.00 27.83 O ATOM 479 HH TYR A 76 -22.854 7.357 7.647 1.00 0.00 H ATOM 480 H TYR A 76 -19.228 0.277 10.916 1.00 0.00 H ATOM 481 N ASN A 77 -21.711 -0.100 8.600 1.00 21.57 N ATOM 482 CA ASN A 77 -22.628 -0.588 7.576 1.00 24.74 C ATOM 483 C ASN A 77 -23.858 -1.282 8.147 1.00 25.77 C ATOM 484 O ASN A 77 -24.796 -1.528 7.395 1.00 29.23 O ATOM 485 CB ASN A 77 -21.910 -1.541 6.611 1.00 24.30 C ATOM 486 CG ASN A 77 -20.924 -0.829 5.704 1.00 25.98 C ATOM 487 OD1 ASN A 77 -21.076 0.355 5.389 1.00 29.25 O ATOM 488 ND2 ASN A 77 -19.918 -1.563 5.253 1.00 26.96 N ATOM 489 HD22 ASN A 77 -19.828 -2.557 5.544 1.00 0.00 H ATOM 490 HD21 ASN A 77 -19.218 -1.145 4.607 1.00 0.00 H ATOM 491 H ASN A 77 -20.797 -0.577 8.740 1.00 0.00 H ATOM 492 N HIS A 78 -23.868 -1.586 9.444 1.00 26.92 N ATOM 493 CA HIS A 78 -24.962 -2.326 10.064 1.00 30.33 C ATOM 494 C HIS A 78 -25.587 -1.619 11.273 1.00 30.31 C ATOM 495 O HIS A 78 -26.189 -2.261 12.132 1.00 33.22 O ATOM 496 CB HIS A 78 -24.461 -3.737 10.395 1.00 32.14 C ATOM 497 CG HIS A 78 -23.965 -4.469 9.186 1.00 34.10 C ATOM 498 ND1 HIS A 78 -24.765 -4.693 8.084 1.00 37.55 N ATOM 499 CD2 HIS A 78 -22.747 -4.967 8.871 1.00 36.60 C ATOM 500 CE1 HIS A 78 -24.064 -5.312 7.153 1.00 37.68 C ATOM 501 NE2 HIS A 78 -22.836 -5.486 7.604 1.00 36.70 N ATOM 502 H HIS A 78 -23.067 -1.285 10.036 1.00 0.00 H ATOM 503 N ILE A 79 -25.455 -0.296 11.330 1.00 25.62 N ATOM 504 CA ILE A 79 -26.188 0.509 12.296 1.00 25.32 C ATOM 505 C ILE A 79 -27.017 1.515 11.545 1.00 23.29 C ATOM 506 O ILE A 79 -26.769 1.790 10.365 1.00 23.59 O ATOM 507 CB ILE A 79 -25.279 1.219 13.318 1.00 25.05 C ATOM 508 CG1 ILE A 79 -24.277 2.147 12.628 1.00 24.28 C ATOM 509 CG2 ILE A 79 -24.561 0.213 14.182 1.00 26.41 C ATOM 510 CD1 ILE A 79 -23.418 2.932 13.599 1.00 26.30 C ATOM 511 H ILE A 79 -24.810 0.176 10.665 1.00 0.00 H ATOM 512 N GLN A 80 -28.009 2.058 12.245 1.00 24.27 N ATOM 513 CA GLN A 80 -28.915 3.004 11.661 1.00 24.06 C ATOM 514 C GLN A 80 -28.203 4.315 11.332 1.00 23.17 C ATOM 515 O GLN A 80 -27.340 4.772 12.069 1.00 23.10 O ATOM 516 CB GLN A 80 -30.113 3.246 12.575 1.00 26.55 C ATOM 517 CG GLN A 80 -31.015 2.022 12.660 1.00 28.58 C ATOM 518 CD GLN A 80 -31.629 1.654 11.330 1.00 30.98 C ATOM 519 OE1 GLN A 80 -31.380 0.567 10.784 1.00 34.24 O ATOM 520 NE2 GLN A 80 -32.406 2.567 10.781 1.00 33.52 N ATOM 521 HE22 GLN A 80 -32.586 3.463 11.277 1.00 0.00 H ATOM 522 HE21 GLN A 80 -32.839 2.391 9.852 1.00 0.00 H ATOM 523 H GLN A 80 -28.131 1.789 13.242 1.00 0.00 H ATOM 524 N LEU A 81 -28.548 4.878 10.177 1.00 23.27 N ATOM 525 CA LEU A 81 -28.059 6.178 9.764 1.00 23.19 C ATOM 526 C LEU A 81 -28.532 7.290 10.699 1.00 22.58 C ATOM 527 O LEU A 81 -29.630 7.230 11.242 1.00 22.07 O ATOM 528 CB LEU A 81 -28.548 6.509 8.354 1.00 24.25 C ATOM 529 CG LEU A 81 -28.000 5.650 7.200 1.00 24.62 C ATOM 530 CD1 LEU A 81 -28.791 5.909 5.928 1.00 25.50 C ATOM 531 CD2 LEU A 81 -26.523 5.887 7.003 1.00 25.37 C ATOM 532 H LEU A 81 -29.195 4.364 9.545 1.00 0.00 H ATOM 533 N SER A 82 -27.700 8.315 10.859 1.00 21.48 N ATOM 534 CA SER A 82 -28.035 9.483 11.667 1.00 20.69 C ATOM 535 C SER A 82 -29.339 10.132 11.229 1.00 22.14 C ATOM 536 O SER A 82 -30.117 10.570 12.062 1.00 23.59 O ATOM 537 CB SER A 82 -26.910 10.513 11.604 1.00 22.48 C ATOM 538 OG SER A 82 -25.778 9.991 12.272 1.00 25.60 O ATOM 539 HG SER A 82 -25.492 9.153 11.829 1.00 0.00 H ATOM 540 H SER A 82 -26.773 8.283 10.389 1.00 0.00 H ATOM 541 N SER A 83 -29.563 10.169 9.920 1.00 22.05 N ATOM 542 CA SER A 83 -30.777 10.751 9.355 1.00 24.54 C ATOM 543 C SER A 83 -32.063 10.016 9.715 1.00 26.50 C ATOM 544 O SER A 83 -33.150 10.568 9.495 1.00 27.62 O ATOM 545 CB SER A 83 -30.658 10.814 7.825 1.00 25.13 C ATOM 546 OG SER A 83 -30.617 9.504 7.274 1.00 24.64 O ATOM 547 HG SER A 83 -29.835 9.018 7.638 1.00 0.00 H ATOM 548 H SER A 83 -28.850 9.770 9.276 1.00 0.00 H ATOM 549 N ASN A 84 -31.947 8.781 10.204 1.00 24.87 N ATOM 550 CA ASN A 84 -33.093 7.955 10.585 1.00 28.31 C ATOM 551 C ASN A 84 -33.270 7.888 12.119 1.00 28.35 C ATOM 552 O ASN A 84 -34.162 7.209 12.613 1.00 29.00 O ATOM 553 CB ASN A 84 -32.973 6.564 9.945 1.00 30.37 C ATOM 554 CG ASN A 84 -33.273 6.576 8.433 1.00 34.07 C ATOM 555 OD1 ASN A 84 -34.134 7.330 7.954 1.00 37.64 O ATOM 556 ND2 ASN A 84 -32.575 5.722 7.679 1.00 34.61 N ATOM 557 HD22 ASN A 84 -31.861 5.105 8.117 1.00 0.00 H ATOM 558 HD21 ASN A 84 -32.746 5.674 6.654 1.00 0.00 H ATOM 559 H ASN A 84 -30.993 8.384 10.321 1.00 0.00 H ATOM 560 N LEU A 85 -32.437 8.613 12.871 1.00 27.93 N ATOM 561 CA LEU A 85 -32.624 8.695 14.325 1.00 28.02 C ATOM 562 C LEU A 85 -33.755 9.646 14.734 1.00 25.68 C ATOM 563 O LEU A 85 -34.054 10.621 14.059 1.00 25.35 O ATOM 564 CB LEU A 85 -31.348 9.166 15.001 1.00 28.83 C ATOM 565 CG LEU A 85 -30.121 8.263 14.873 1.00 29.19 C ATOM 566 CD1 LEU A 85 -29.010 8.847 15.720 1.00 29.35 C ATOM 567 CD2 LEU A 85 -30.438 6.832 15.274 1.00 30.51 C ATOM 568 H LEU A 85 -31.650 9.124 12.423 1.00 0.00 H ATOM 569 N MET A 86 -34.373 9.355 15.877 1.00 26.97 N ATOM 570 CA MET A 86 -35.376 10.238 16.469 1.00 26.76 C ATOM 571 C MET A 86 -34.714 11.523 16.946 1.00 27.72 C ATOM 572 O MET A 86 -33.560 11.484 17.383 1.00 24.97 O ATOM 573 CB MET A 86 -36.062 9.549 17.655 1.00 28.30 C ATOM 574 CG MET A 86 -37.004 8.444 17.241 1.00 29.03 C ATOM 575 SD MET A 86 -38.409 9.127 16.344 1.00 30.34 S ATOM 576 CE MET A 86 -39.310 9.930 17.673 1.00 29.39 C ATOM 577 H MET A 86 -34.134 8.469 16.365 1.00 0.00 H ATOM 578 N PRO A 87 -35.426 12.673 16.880 1.00 27.31 N ATOM 579 CA PRO A 87 -34.844 13.901 17.422 1.00 26.72 C ATOM 580 C PRO A 87 -34.564 13.771 18.899 1.00 26.48 C ATOM 581 O PRO A 87 -35.308 13.098 19.608 1.00 25.01 O ATOM 582 CB PRO A 87 -35.922 14.971 17.159 1.00 28.77 C ATOM 583 CG PRO A 87 -37.164 14.199 17.002 1.00 30.09 C ATOM 584 CD PRO A 87 -36.768 12.935 16.323 1.00 28.86 C ATOM 585 N GLY A 88 -33.468 14.393 19.327 1.00 24.95 N ATOM 586 CA GLY A 88 -32.940 14.261 20.670 1.00 24.97 C ATOM 587 C GLY A 88 -31.904 13.164 20.847 1.00 23.62 C ATOM 588 O GLY A 88 -31.253 13.104 21.906 1.00 26.55 O ATOM 589 H GLY A 88 -32.962 15.009 18.659 1.00 0.00 H ATOM 590 N CYS A 89 -31.777 12.265 19.864 1.00 22.75 N ATOM 591 CA CYS A 89 -30.747 11.204 19.890 1.00 21.64 C ATOM 592 C CYS A 89 -29.419 11.702 19.329 1.00 21.19 C ATOM 593 O CYS A 89 -29.366 12.666 18.570 1.00 20.47 O ATOM 594 CB CYS A 89 -31.191 9.976 19.107 1.00 23.36 C ATOM 595 SG CYS A 89 -32.656 9.188 19.840 1.00 27.27 S ATOM 596 H CYS A 89 -32.426 12.314 19.053 1.00 0.00 H ATOM 597 N ASP A 90 -28.348 11.030 19.759 1.00 20.41 N ATOM 598 CA ASP A 90 -26.988 11.342 19.323 1.00 20.93 C ATOM 599 C ASP A 90 -26.241 10.058 18.987 1.00 20.64 C ATOM 600 O ASP A 90 -26.531 8.985 19.521 1.00 19.97 O ATOM 601 CB ASP A 90 -26.125 11.997 20.419 1.00 20.87 C ATOM 602 CG ASP A 90 -26.797 13.133 21.167 1.00 22.27 C ATOM 603 OD1 ASP A 90 -27.576 13.938 20.611 1.00 21.35 O ATOM 604 OD2 ASP A 90 -26.456 13.285 22.357 1.00 24.49 O ATOM 605 H ASP A 90 -28.488 10.251 20.433 1.00 0.00 H ATOM 606 N TYR A 91 -25.225 10.210 18.147 1.00 19.34 N ATOM 607 CA TYR A 91 -24.116 9.263 18.060 1.00 19.10 C ATOM 608 C TYR A 91 -22.861 10.026 18.448 1.00 18.10 C ATOM 609 O TYR A 91 -22.728 11.223 18.167 1.00 17.66 O ATOM 610 CB TYR A 91 -23.906 8.754 16.643 1.00 19.28 C ATOM 611 CG TYR A 91 -24.771 7.614 16.160 1.00 19.76 C ATOM 612 CD1 TYR A 91 -24.838 6.409 16.853 1.00 19.98 C ATOM 613 CD2 TYR A 91 -25.444 7.709 14.938 1.00 21.24 C ATOM 614 CE1 TYR A 91 -25.567 5.330 16.373 1.00 20.82 C ATOM 615 CE2 TYR A 91 -26.177 6.633 14.442 1.00 21.35 C ATOM 616 CZ TYR A 91 -26.256 5.460 15.178 1.00 20.92 C ATOM 617 OH TYR A 91 -26.968 4.387 14.703 1.00 23.58 O ATOM 618 HH TYR A 91 -26.586 4.097 13.837 1.00 0.00 H ATOM 619 H TYR A 91 -25.218 11.041 17.522 1.00 0.00 H ATOM 620 N SER A 92 -21.952 9.332 19.141 1.00 18.66 N ATOM 621 CA SER A 92 -20.652 9.887 19.490 1.00 20.04 C ATOM 622 C SER A 92 -19.575 8.859 19.162 1.00 18.77 C ATOM 623 O SER A 92 -19.758 7.667 19.396 1.00 20.51 O ATOM 624 CB SER A 92 -20.592 10.219 20.996 1.00 20.82 C ATOM 625 OG SER A 92 -21.562 11.210 21.386 1.00 23.94 O ATOM 626 HG SER A 92 -22.472 10.877 21.184 1.00 0.00 H ATOM 627 H SER A 92 -22.181 8.363 19.441 1.00 0.00 H ATOM 628 N LEU A 93 -18.453 9.309 18.603 1.00 17.13 N ATOM 629 CA LEU A 93 -17.301 8.415 18.425 1.00 17.30 C ATOM 630 C LEU A 93 -16.125 8.988 19.179 1.00 17.18 C ATOM 631 O LEU A 93 -15.654 10.070 18.838 1.00 17.30 O ATOM 632 CB LEU A 93 -16.912 8.244 16.952 1.00 16.45 C ATOM 633 CG LEU A 93 -15.865 7.118 16.791 1.00 17.56 C ATOM 634 CD1 LEU A 93 -16.499 5.722 16.782 1.00 19.05 C ATOM 635 CD2 LEU A 93 -14.984 7.333 15.559 1.00 19.12 C ATOM 636 H LEU A 93 -18.392 10.299 18.291 1.00 0.00 H ATOM 637 N PHE A 94 -15.629 8.270 20.193 1.00 17.59 N ATOM 638 CA PHE A 94 -14.565 8.811 21.082 1.00 18.55 C ATOM 639 C PHE A 94 -13.457 7.796 21.256 1.00 18.40 C ATOM 640 O PHE A 94 -13.707 6.593 21.222 1.00 17.57 O ATOM 641 CB PHE A 94 -15.117 9.238 22.454 1.00 19.02 C ATOM 642 CG PHE A 94 -15.675 10.635 22.474 1.00 18.85 C ATOM 643 CD1 PHE A 94 -16.859 10.946 21.787 1.00 19.04 C ATOM 644 CD2 PHE A 94 -15.008 11.670 23.113 1.00 18.19 C ATOM 645 CE1 PHE A 94 -17.342 12.252 21.784 1.00 19.65 C ATOM 646 CE2 PHE A 94 -15.494 12.969 23.116 1.00 19.02 C ATOM 647 CZ PHE A 94 -16.649 13.263 22.432 1.00 18.80 C ATOM 648 H PHE A 94 -15.995 7.312 20.364 1.00 0.00 H ATOM 649 N LYS A 95 -12.230 8.293 21.442 1.00 18.92 N ATOM 650 CA LYS A 95 -11.114 7.400 21.748 1.00 20.71 C ATOM 651 C LYS A 95 -11.451 6.522 22.943 1.00 21.76 C ATOM 652 O LYS A 95 -12.115 6.959 23.891 1.00 21.29 O ATOM 653 CB LYS A 95 -9.851 8.176 22.039 1.00 21.90 C ATOM 654 CG LYS A 95 -9.312 8.875 20.820 1.00 22.37 C ATOM 655 CD LYS A 95 -8.103 9.696 21.181 1.00 24.01 C ATOM 656 CE LYS A 95 -7.440 10.203 19.945 1.00 25.36 C ATOM 657 NZ LYS A 95 -6.425 11.244 20.244 1.00 28.25 N ATOM 658 HZ1 LYS A 95 -6.884 12.047 20.719 1.00 0.00 H ATOM 659 HZ2 LYS A 95 -5.693 10.844 20.865 1.00 0.00 H ATOM 660 HZ3 LYS A 95 -5.990 11.567 19.356 1.00 0.00 H ATOM 661 H LYS A 95 -12.069 9.318 21.369 1.00 0.00 H ATOM 662 N ASP A 96 -11.011 5.270 22.858 1.00 22.27 N ATOM 663 CA ASP A 96 -11.194 4.294 23.920 1.00 24.15 C ATOM 664 C ASP A 96 -10.755 4.905 25.243 1.00 23.45 C ATOM 665 O ASP A 96 -9.664 5.460 25.353 1.00 24.22 O ATOM 666 CB ASP A 96 -10.382 3.032 23.615 1.00 26.24 C ATOM 667 CG ASP A 96 -10.690 1.883 24.551 1.00 29.75 C ATOM 668 OD1 ASP A 96 -11.770 1.888 25.172 1.00 32.19 O ATOM 669 OD2 ASP A 96 -9.843 0.960 24.639 1.00 32.99 O ATOM 670 H ASP A 96 -10.514 4.976 21.993 1.00 0.00 H ATOM 671 N GLY A 97 -11.636 4.829 26.230 1.00 24.93 N ATOM 672 CA GLY A 97 -11.350 5.335 27.558 1.00 24.96 C ATOM 673 C GLY A 97 -11.800 6.758 27.811 1.00 25.53 C ATOM 674 O GLY A 97 -11.698 7.212 28.945 1.00 28.83 O ATOM 675 H GLY A 97 -12.562 4.393 26.046 1.00 0.00 H ATOM 676 N ILE A 98 -12.296 7.465 26.780 1.00 22.68 N ATOM 677 CA ILE A 98 -12.858 8.801 26.957 1.00 22.66 C ATOM 678 C ILE A 98 -14.360 8.679 26.793 1.00 23.01 C ATOM 679 O ILE A 98 -14.839 8.346 25.714 1.00 24.48 O ATOM 680 CB ILE A 98 -12.339 9.836 25.917 1.00 21.88 C ATOM 681 CG1 ILE A 98 -10.802 9.879 25.926 1.00 22.56 C ATOM 682 CG2 ILE A 98 -12.940 11.213 26.200 1.00 23.22 C ATOM 683 CD1 ILE A 98 -10.181 10.774 24.878 1.00 22.43 C ATOM 684 H ILE A 98 -12.279 7.047 25.828 1.00 0.00 H ATOM 685 N GLU A 99 -15.112 8.957 27.856 1.00 23.22 N ATOM 686 CA GLU A 99 -16.558 8.989 27.769 1.00 23.98 C ATOM 687 C GLU A 99 -17.001 10.277 27.065 1.00 22.84 C ATOM 688 O GLU A 99 -16.348 11.318 27.206 1.00 21.29 O ATOM 689 CB GLU A 99 -17.186 8.860 29.165 1.00 27.33 C ATOM 690 CG GLU A 99 -16.823 7.554 29.854 1.00 30.56 C ATOM 691 CD GLU A 99 -17.528 7.346 31.182 1.00 33.59 C ATOM 692 OE1 GLU A 99 -17.897 8.334 31.851 1.00 36.67 O ATOM 693 OE2 GLU A 99 -17.671 6.176 31.571 1.00 40.98 O ATOM 694 H GLU A 99 -14.652 9.155 28.767 1.00 0.00 H ATOM 695 N PRO A 100 -18.095 10.221 26.279 1.00 22.45 N ATOM 696 CA PRO A 100 -18.503 11.345 25.425 1.00 23.58 C ATOM 697 C PRO A 100 -19.297 12.400 26.201 1.00 24.22 C ATOM 698 O PRO A 100 -20.410 12.760 25.830 1.00 23.18 O ATOM 699 CB PRO A 100 -19.342 10.658 24.350 1.00 23.70 C ATOM 700 CG PRO A 100 -19.945 9.517 25.052 1.00 24.23 C ATOM 701 CD PRO A 100 -18.911 9.026 26.014 1.00 24.06 C ATOM 702 N MET A 101 -18.685 12.879 27.284 1.00 23.90 N ATOM 703 CA MET A 101 -19.308 13.832 28.183 1.00 24.28 C ATOM 704 C MET A 101 -18.300 14.849 28.681 1.00 23.36 C ATOM 705 O MET A 101 -17.105 14.564 28.793 1.00 23.59 O ATOM 706 CB MET A 101 -19.960 13.103 29.354 1.00 26.63 C ATOM 707 CG MET A 101 -19.024 12.332 30.264 1.00 29.13 C ATOM 708 SD MET A 101 -19.990 11.630 31.623 1.00 37.03 S ATOM 709 CE MET A 101 -20.896 10.355 30.773 1.00 34.22 C ATOM 710 H MET A 101 -17.719 12.556 27.494 1.00 0.00 H ATOM 711 N TRP A 102 -18.797 16.045 28.972 1.00 23.55 N ATOM 712 CA TRP A 102 -17.984 17.156 29.459 1.00 25.32 C ATOM 713 C TRP A 102 -17.095 16.747 30.623 1.00 24.96 C ATOM 714 O TRP A 102 -15.942 17.157 30.709 1.00 24.38 O ATOM 715 CB TRP A 102 -18.876 18.298 29.979 1.00 26.43 C ATOM 716 CG TRP A 102 -19.827 18.887 29.004 1.00 27.20 C ATOM 717 CD1 TRP A 102 -19.612 19.117 27.666 1.00 27.52 C ATOM 718 CD2 TRP A 102 -21.142 19.373 29.289 1.00 29.00 C ATOM 719 NE1 TRP A 102 -20.725 19.702 27.104 1.00 28.44 N ATOM 720 CE2 TRP A 102 -21.675 19.879 28.079 1.00 29.16 C ATOM 721 CE3 TRP A 102 -21.928 19.428 30.449 1.00 28.86 C ATOM 722 CZ2 TRP A 102 -22.957 20.426 27.998 1.00 29.73 C ATOM 723 CZ3 TRP A 102 -23.219 19.976 30.358 1.00 28.79 C ATOM 724 CH2 TRP A 102 -23.712 20.461 29.152 1.00 29.50 C ATOM 725 HE1 TRP A 102 -20.829 19.967 26.104 1.00 0.00 H ATOM 726 H TRP A 102 -19.818 16.199 28.847 1.00 0.00 H ATOM 727 N GLU A 103 -17.656 15.936 31.511 1.00 27.40 N ATOM 728 CA GLU A 103 -17.022 15.609 32.800 1.00 27.32 C ATOM 729 C GLU A 103 -15.798 14.727 32.725 1.00 26.84 C ATOM 730 O GLU A 103 -15.022 14.650 33.689 1.00 26.73 O ATOM 731 CB GLU A 103 -18.028 14.911 33.718 1.00 28.50 C ATOM 732 CG GLU A 103 -19.207 15.777 34.100 1.00 29.46 C ATOM 733 CD GLU A 103 -20.429 15.489 33.275 1.00 29.63 C ATOM 734 OE1 GLU A 103 -20.316 15.419 32.025 1.00 28.24 O ATOM 735 OE2 GLU A 103 -21.510 15.331 33.862 1.00 28.24 O ATOM 736 H GLU A 103 -18.580 15.514 31.288 1.00 0.00 H ATOM 737 N ASP A 104 -15.608 14.031 31.612 1.00 23.97 N ATOM 738 CA ASP A 104 -14.450 13.198 31.461 1.00 25.10 C ATOM 739 C ASP A 104 -13.196 14.047 31.636 1.00 24.51 C ATOM 740 O ASP A 104 -13.129 15.192 31.178 1.00 24.18 O ATOM 741 CB ASP A 104 -14.449 12.514 30.088 1.00 24.42 C ATOM 742 CG ASP A 104 -13.440 11.405 30.003 1.00 23.84 C ATOM 743 OD1 ASP A 104 -12.233 11.686 29.797 1.00 24.39 O ATOM 744 OD2 ASP A 104 -13.860 10.243 30.159 1.00 25.89 O ATOM 745 H ASP A 104 -16.305 14.090 30.842 1.00 0.00 H ATOM 746 N GLU A 105 -12.186 13.480 32.289 1.00 26.87 N ATOM 747 CA GLU A 105 -10.938 14.176 32.508 1.00 28.83 C ATOM 748 C GLU A 105 -10.355 14.746 31.221 1.00 26.45 C ATOM 749 O GLU A 105 -9.755 15.811 31.230 1.00 26.01 O ATOM 750 CB GLU A 105 -9.920 13.219 33.137 1.00 33.35 C ATOM 751 CG GLU A 105 -8.606 13.842 33.558 1.00 38.59 C ATOM 752 CD GLU A 105 -8.747 14.912 34.629 1.00 42.54 C ATOM 753 OE1 GLU A 105 -9.746 14.908 35.395 1.00 43.38 O ATOM 754 OE2 GLU A 105 -7.831 15.765 34.696 1.00 51.02 O ATOM 755 H GLU A 105 -12.297 12.511 32.651 1.00 0.00 H ATOM 756 N LYS A 106 -10.524 14.016 30.118 1.00 23.91 N ATOM 757 CA LYS A 106 -9.980 14.453 28.835 1.00 25.37 C ATOM 758 C LYS A 106 -10.847 15.461 28.103 1.00 22.87 C ATOM 759 O LYS A 106 -10.376 16.036 27.137 1.00 21.78 O ATOM 760 CB LYS A 106 -9.707 13.242 27.934 1.00 27.27 C ATOM 761 CG LYS A 106 -8.559 12.366 28.419 1.00 30.48 C ATOM 762 CD LYS A 106 -7.219 13.061 28.224 1.00 35.58 C ATOM 763 CE LYS A 106 -6.031 12.135 28.433 1.00 39.11 C ATOM 764 NZ LYS A 106 -4.796 12.790 27.903 1.00 42.13 N ATOM 765 HZ1 LYS A 106 -4.915 12.981 26.888 1.00 0.00 H ATOM 766 HZ2 LYS A 106 -4.635 13.684 28.409 1.00 0.00 H ATOM 767 HZ3 LYS A 106 -3.982 12.158 28.045 1.00 0.00 H ATOM 768 H LYS A 106 -11.052 13.121 30.172 1.00 0.00 H ATOM 769 N ASN A 107 -12.074 15.688 28.555 1.00 22.20 N ATOM 770 CA ASN A 107 -12.940 16.697 27.964 1.00 21.41 C ATOM 771 C ASN A 107 -13.114 17.968 28.788 1.00 22.42 C ATOM 772 O ASN A 107 -13.367 19.013 28.225 1.00 21.01 O ATOM 773 CB ASN A 107 -14.320 16.119 27.643 1.00 19.93 C ATOM 774 CG ASN A 107 -14.247 15.006 26.638 1.00 19.67 C ATOM 775 OD1 ASN A 107 -13.484 15.093 25.667 1.00 20.05 O ATOM 776 ND2 ASN A 107 -15.009 13.951 26.860 1.00 18.89 N ATOM 777 HD22 ASN A 107 -15.634 13.926 27.691 1.00 0.00 H ATOM 778 HD21 ASN A 107 -14.985 13.145 26.204 1.00 0.00 H ATOM 779 H ASN A 107 -12.428 15.127 29.356 1.00 0.00 H ATOM 780 N LYS A 108 -12.965 17.891 30.110 1.00 23.26 N ATOM 781 CA LYS A 108 -13.420 18.988 30.959 1.00 25.37 C ATOM 782 C LYS A 108 -12.674 20.319 30.769 1.00 24.48 C ATOM 783 O LYS A 108 -13.265 21.373 30.982 1.00 23.25 O ATOM 784 CB LYS A 108 -13.441 18.555 32.432 1.00 27.63 C ATOM 785 CG LYS A 108 -12.074 18.324 33.056 1.00 31.31 C ATOM 786 CD LYS A 108 -12.166 17.427 34.289 1.00 35.46 C ATOM 787 CE LYS A 108 -13.075 17.995 35.372 1.00 40.08 C ATOM 788 NZ LYS A 108 -12.732 19.393 35.734 1.00 43.52 N ATOM 789 HZ1 LYS A 108 -11.754 19.428 36.087 1.00 0.00 H ATOM 790 HZ2 LYS A 108 -12.820 19.999 34.893 1.00 0.00 H ATOM 791 HZ3 LYS A 108 -13.382 19.728 36.474 1.00 0.00 H ATOM 792 H LYS A 108 -12.525 17.051 30.536 1.00 0.00 H ATOM 793 N ARG A 109 -11.405 20.279 30.345 1.00 23.67 N ATOM 794 CA ARG A 109 -10.646 21.494 30.020 1.00 25.12 C ATOM 795 C ARG A 109 -10.710 21.833 28.534 1.00 23.65 C ATOM 796 O ARG A 109 -10.060 22.771 28.079 1.00 22.89 O ATOM 797 CB ARG A 109 -9.178 21.354 30.452 1.00 27.27 C ATOM 798 CG ARG A 109 -9.013 21.158 31.958 1.00 31.13 C ATOM 799 CD ARG A 109 -7.567 20.830 32.317 1.00 33.66 C ATOM 800 NE ARG A 109 -7.134 19.567 31.712 1.00 37.47 N ATOM 801 CZ ARG A 109 -7.475 18.346 32.137 1.00 40.39 C ATOM 802 NH1 ARG A 109 -8.262 18.176 33.203 1.00 43.02 N ATOM 803 NH2 ARG A 109 -7.019 17.273 31.492 1.00 41.29 N ATOM 804 HE ARG A 109 -6.509 19.626 30.883 1.00 0.00 H ATOM 805 HH12 ARG A 109 -8.514 17.217 33.515 1.00 0.00 H ATOM 806 HH11 ARG A 109 -8.623 19.003 33.720 1.00 0.00 H ATOM 807 HH22 ARG A 109 -7.281 16.320 31.817 1.00 0.00 H ATOM 808 HH21 ARG A 109 -6.402 17.388 30.663 1.00 0.00 H ATOM 809 H ARG A 109 -10.940 19.355 30.242 1.00 0.00 H ATOM 810 N GLY A 110 -11.513 21.075 27.787 1.00 22.33 N ATOM 811 CA GLY A 110 -11.563 21.178 26.330 1.00 21.17 C ATOM 812 C GLY A 110 -12.792 21.852 25.791 1.00 20.35 C ATOM 813 O GLY A 110 -13.426 22.659 26.453 1.00 21.79 O ATOM 814 H GLY A 110 -12.128 20.383 28.260 1.00 0.00 H ATOM 815 N GLY A 111 -13.112 21.531 24.546 1.00 21.01 N ATOM 816 CA GLY A 111 -14.144 22.263 23.818 1.00 20.04 C ATOM 817 C GLY A 111 -14.439 21.616 22.499 1.00 19.86 C ATOM 818 O GLY A 111 -13.953 20.521 22.221 1.00 18.29 O ATOM 819 H GLY A 111 -12.619 20.743 24.079 1.00 0.00 H ATOM 820 N ARG A 112 -15.264 22.281 21.689 1.00 19.63 N ATOM 821 CA ARG A 112 -15.695 21.702 20.433 1.00 19.85 C ATOM 822 C ARG A 112 -15.731 22.714 19.316 1.00 19.39 C ATOM 823 O ARG A 112 -16.066 23.901 19.530 1.00 19.70 O ATOM 824 CB ARG A 112 -17.051 21.015 20.587 1.00 20.32 C ATOM 825 CG ARG A 112 -18.162 21.973 20.976 1.00 20.46 C ATOM 826 CD ARG A 112 -19.511 21.319 21.090 1.00 21.70 C ATOM 827 NE ARG A 112 -20.503 22.373 21.346 1.00 21.76 N ATOM 828 CZ ARG A 112 -21.809 22.168 21.408 1.00 22.01 C ATOM 829 NH1 ARG A 112 -22.307 20.967 21.199 1.00 21.36 N ATOM 830 NH2 ARG A 112 -22.625 23.188 21.681 1.00 24.89 N ATOM 831 HE ARG A 112 -20.156 23.343 21.488 1.00 0.00 H ATOM 832 HH12 ARG A 112 -23.334 20.814 21.250 1.00 0.00 H ATOM 833 HH11 ARG A 112 -21.673 20.171 20.983 1.00 0.00 H ATOM 834 HH22 ARG A 112 -23.652 23.033 21.731 1.00 0.00 H ATOM 835 HH21 ARG A 112 -22.234 24.138 21.844 1.00 0.00 H ATOM 836 H ARG A 112 -15.602 23.226 21.962 1.00 0.00 H ATOM 837 N TRP A 113 -15.325 22.251 18.143 1.00 18.89 N ATOM 838 CA TRP A 113 -15.674 22.884 16.868 1.00 19.70 C ATOM 839 C TRP A 113 -17.092 22.482 16.525 1.00 18.71 C ATOM 840 O TRP A 113 -17.355 21.301 16.383 1.00 18.56 O ATOM 841 CB TRP A 113 -14.726 22.436 15.756 1.00 18.93 C ATOM 842 CG TRP A 113 -13.380 23.083 15.877 1.00 19.58 C ATOM 843 CD1 TRP A 113 -12.217 22.496 16.288 1.00 19.33 C ATOM 844 CD2 TRP A 113 -13.087 24.462 15.679 1.00 20.25 C ATOM 845 NE1 TRP A 113 -11.214 23.419 16.303 1.00 19.86 N ATOM 846 CE2 TRP A 113 -11.721 24.639 15.946 1.00 20.73 C ATOM 847 CE3 TRP A 113 -13.847 25.567 15.266 1.00 21.21 C ATOM 848 CZ2 TRP A 113 -11.090 25.876 15.825 1.00 21.16 C ATOM 849 CZ3 TRP A 113 -13.231 26.792 15.147 1.00 20.96 C ATOM 850 CH2 TRP A 113 -11.859 26.942 15.431 1.00 22.01 C ATOM 851 HE1 TRP A 113 -10.221 23.227 16.547 1.00 0.00 H ATOM 852 H TRP A 113 -14.730 21.398 18.126 1.00 0.00 H ATOM 853 N LEU A 114 -17.988 23.450 16.402 1.00 19.47 N ATOM 854 CA LEU A 114 -19.426 23.191 16.205 1.00 20.97 C ATOM 855 C LEU A 114 -19.895 23.600 14.810 1.00 21.19 C ATOM 856 O LEU A 114 -19.635 24.718 14.365 1.00 23.39 O ATOM 857 CB LEU A 114 -20.271 23.953 17.247 1.00 21.83 C ATOM 858 CG LEU A 114 -21.791 23.694 17.140 1.00 22.54 C ATOM 859 CD1 LEU A 114 -22.118 22.270 17.475 1.00 21.71 C ATOM 860 CD2 LEU A 114 -22.570 24.678 17.999 1.00 23.69 C ATOM 861 H LEU A 114 -17.663 24.437 16.446 1.00 0.00 H ATOM 862 N ILE A 115 -20.592 22.682 14.151 1.00 22.23 N ATOM 863 CA ILE A 115 -21.224 22.903 12.863 1.00 22.85 C ATOM 864 C ILE A 115 -22.727 22.760 13.076 1.00 21.87 C ATOM 865 O ILE A 115 -23.169 21.697 13.468 1.00 20.63 O ATOM 866 CB ILE A 115 -20.803 21.812 11.847 1.00 25.16 C ATOM 867 CG1 ILE A 115 -19.293 21.540 11.873 1.00 27.32 C ATOM 868 CG2 ILE A 115 -21.330 22.153 10.455 1.00 27.90 C ATOM 869 CD1 ILE A 115 -18.451 22.606 11.221 1.00 27.79 C ATOM 870 H ILE A 115 -20.692 21.743 14.586 1.00 0.00 H ATOM 871 N THR A 116 -23.518 23.808 12.817 1.00 23.74 N ATOM 872 CA THR A 116 -24.974 23.695 12.915 1.00 23.81 C ATOM 873 C THR A 116 -25.564 23.715 11.499 1.00 23.27 C ATOM 874 O THR A 116 -25.335 24.659 10.744 1.00 23.20 O ATOM 875 CB THR A 116 -25.610 24.799 13.778 1.00 27.18 C ATOM 876 OG1 THR A 116 -24.984 24.785 15.077 1.00 28.86 O ATOM 877 CG2 THR A 116 -27.122 24.544 13.933 1.00 29.12 C ATOM 878 HG1 THR A 116 -25.385 25.492 15.643 1.00 0.00 H ATOM 879 H THR A 116 -23.092 24.716 12.542 1.00 0.00 H ATOM 880 N LEU A 117 -26.317 22.669 11.189 1.00 25.06 N ATOM 881 CA LEU A 117 -26.829 22.420 9.836 1.00 27.51 C ATOM 882 C LEU A 117 -28.312 22.797 9.686 1.00 29.69 C ATOM 883 O LEU A 117 -29.095 22.657 10.621 1.00 30.81 O ATOM 884 CB LEU A 117 -26.668 20.934 9.530 1.00 26.93 C ATOM 885 CG LEU A 117 -25.252 20.364 9.676 1.00 30.13 C ATOM 886 CD1 LEU A 117 -25.290 18.847 9.544 1.00 30.59 C ATOM 887 CD2 LEU A 117 -24.298 20.989 8.676 1.00 30.23 C ATOM 888 H LEU A 117 -26.557 21.992 11.941 1.00 0.00 H ATOM 889 N ASN A 118 -28.695 23.258 8.499 1.00 32.94 N ATOM 890 CA ASN A 118 -30.111 23.473 8.181 1.00 36.56 C ATOM 891 C ASN A 118 -30.878 22.154 8.152 1.00 40.62 C ATOM 892 O ASN A 118 -30.348 21.129 7.710 1.00 41.05 O ATOM 893 CB ASN A 118 -30.257 24.193 6.842 1.00 38.01 C ATOM 894 CG ASN A 118 -29.804 25.625 6.916 1.00 37.49 C ATOM 895 OD1 ASN A 118 -28.816 26.006 6.304 1.00 38.45 O ATOM 896 ND2 ASN A 118 -30.508 26.419 7.713 1.00 37.89 N ATOM 897 HD22 ASN A 118 -31.341 26.048 8.212 1.00 0.00 H ATOM 898 HD21 ASN A 118 -30.226 27.412 7.838 1.00 0.00 H ATOM 899 H ASN A 118 -27.975 23.471 7.780 1.00 0.00 H ATOM 900 N LYS A 119 -32.116 22.194 8.638 1.00 44.89 N ATOM 901 CA LYS A 119 -32.962 21.002 8.773 1.00 50.41 C ATOM 902 C LYS A 119 -33.337 20.377 7.433 1.00 52.70 C ATOM 903 O LYS A 119 -33.410 19.148 7.326 1.00 55.34 O ATOM 904 CB LYS A 119 -34.254 21.339 9.536 1.00 50.93 C ATOM 905 H LYS A 119 -32.502 23.112 8.936 1.00 0.00 H ATOM 906 N GLN A 120 -33.556 21.229 6.429 1.00 54.47 N ATOM 907 CA GLN A 120 -34.088 20.827 5.117 1.00 56.09 C ATOM 908 C GLN A 120 -33.355 19.657 4.452 1.00 55.28 C ATOM 909 O GLN A 120 -33.991 18.775 3.865 1.00 54.95 O ATOM 910 CB GLN A 120 -34.081 22.027 4.159 1.00 57.36 C ATOM 911 H GLN A 120 -33.338 22.234 6.583 1.00 0.00 H ATOM 912 N GLN A 121 -32.027 19.656 4.566 1.00 51.18 N ATOM 913 CA GLN A 121 -31.179 18.694 3.877 1.00 50.04 C ATOM 914 C GLN A 121 -30.745 17.479 4.723 1.00 49.10 C ATOM 915 O GLN A 121 -29.888 16.730 4.266 1.00 46.97 O ATOM 916 CB GLN A 121 -29.936 19.412 3.333 1.00 50.85 C ATOM 917 H GLN A 121 -31.578 20.372 5.172 1.00 0.00 H ATOM 918 N ARG A 122 -31.334 17.251 5.910 1.00 45.68 N ATOM 919 CA ARG A 122 -30.955 16.079 6.754 1.00 43.70 C ATOM 920 C ARG A 122 -30.957 14.775 5.972 1.00 41.61 C ATOM 921 O ARG A 122 -29.990 14.006 6.027 1.00 41.12 O ATOM 922 CB ARG A 122 -31.886 15.884 7.955 1.00 40.88 C ATOM 923 CG ARG A 122 -31.509 14.660 8.795 1.00 40.18 C ATOM 924 CD ARG A 122 -32.498 14.363 9.881 1.00 37.70 C ATOM 925 NE ARG A 122 -32.568 15.462 10.830 1.00 37.20 N ATOM 926 CZ ARG A 122 -33.620 15.734 11.600 1.00 36.59 C ATOM 927 NH1 ARG A 122 -34.715 14.980 11.546 1.00 36.51 N ATOM 928 NH2 ARG A 122 -33.572 16.766 12.438 1.00 33.45 N ATOM 929 HE ARG A 122 -31.736 16.081 10.914 1.00 0.00 H ATOM 930 HH12 ARG A 122 -35.530 15.203 12.152 1.00 0.00 H ATOM 931 HH11 ARG A 122 -34.756 14.168 10.897 1.00 0.00 H ATOM 932 HH22 ARG A 122 -34.390 16.984 13.042 1.00 0.00 H ATOM 933 HH21 ARG A 122 -32.716 17.355 12.489 1.00 0.00 H ATOM 934 H ARG A 122 -32.069 17.905 6.247 1.00 0.00 H ATOM 935 N ARG A 123 -32.063 14.525 5.274 1.00 43.73 N ATOM 936 CA ARG A 123 -32.192 13.339 4.421 1.00 47.63 C ATOM 937 C ARG A 123 -31.062 13.265 3.386 1.00 49.76 C ATOM 938 O ARG A 123 -30.529 12.188 3.106 1.00 50.34 O ATOM 939 CB ARG A 123 -33.552 13.344 3.706 1.00 48.65 C ATOM 940 H ARG A 123 -32.859 15.191 5.336 1.00 0.00 H ATOM 941 N SER A 124 -30.705 14.423 2.836 1.00 51.88 N ATOM 942 CA SER A 124 -29.707 14.528 1.768 1.00 53.91 C ATOM 943 C SER A 124 -28.243 14.587 2.234 1.00 50.67 C ATOM 944 O SER A 124 -27.373 14.062 1.529 1.00 54.73 O ATOM 945 CB SER A 124 -30.011 15.760 0.901 1.00 56.16 C ATOM 946 OG SER A 124 -31.347 15.730 0.421 1.00 60.00 O ATOM 947 HG SER A 124 -31.515 16.533 -0.133 1.00 0.00 H ATOM 948 H SER A 124 -31.156 15.295 3.180 1.00 0.00 H ATOM 949 N ASP A 125 -27.969 15.216 3.388 1.00 43.41 N ATOM 950 CA ASP A 125 -26.594 15.633 3.757 1.00 38.49 C ATOM 951 C ASP A 125 -26.067 15.360 5.184 1.00 31.85 C ATOM 952 O ASP A 125 -24.859 15.399 5.373 1.00 28.00 O ATOM 953 CB ASP A 125 -26.406 17.121 3.447 1.00 41.56 C ATOM 954 CG ASP A 125 -26.442 17.415 1.953 1.00 47.96 C ATOM 955 OD1 ASP A 125 -25.488 17.015 1.242 1.00 50.79 O ATOM 956 OD2 ASP A 125 -27.426 18.043 1.495 1.00 50.94 O ATOM 957 H ASP A 125 -28.748 15.418 4.046 1.00 0.00 H ATOM 958 N LEU A 126 -26.929 15.107 6.169 1.00 27.11 N ATOM 959 CA LEU A 126 -26.452 14.844 7.527 1.00 25.56 C ATOM 960 C LEU A 126 -25.522 13.635 7.550 1.00 23.45 C ATOM 961 O LEU A 126 -24.421 13.697 8.113 1.00 22.65 O ATOM 962 CB LEU A 126 -27.615 14.587 8.487 1.00 25.32 C ATOM 963 CG LEU A 126 -27.193 14.323 9.941 1.00 25.38 C ATOM 964 CD1 LEU A 126 -26.423 15.502 10.490 1.00 25.63 C ATOM 965 CD2 LEU A 126 -28.390 14.000 10.822 1.00 26.52 C ATOM 966 H LEU A 126 -27.950 15.096 5.970 1.00 0.00 H ATOM 967 N ASP A 127 -25.979 12.537 6.960 1.00 22.23 N ATOM 968 CA ASP A 127 -25.206 11.286 6.942 1.00 22.76 C ATOM 969 C ASP A 127 -23.841 11.479 6.296 1.00 22.54 C ATOM 970 O ASP A 127 -22.854 10.937 6.785 1.00 20.50 O ATOM 971 CB ASP A 127 -25.951 10.163 6.210 1.00 23.29 C ATOM 972 CG ASP A 127 -27.265 9.779 6.885 1.00 25.38 C ATOM 973 OD1 ASP A 127 -27.375 9.912 8.123 1.00 23.99 O ATOM 974 OD2 ASP A 127 -28.203 9.351 6.161 1.00 26.33 O ATOM 975 H ASP A 127 -26.910 12.562 6.497 1.00 0.00 H ATOM 976 N ARG A 128 -23.782 12.251 5.212 1.00 21.84 N ATOM 977 CA ARG A 128 -22.529 12.502 4.510 1.00 24.62 C ATOM 978 C ARG A 128 -21.560 13.251 5.412 1.00 23.10 C ATOM 979 O ARG A 128 -20.393 12.878 5.522 1.00 22.65 O ATOM 980 CB ARG A 128 -22.761 13.280 3.206 1.00 28.73 C ATOM 981 CG ARG A 128 -21.489 13.555 2.413 1.00 33.44 C ATOM 982 CD ARG A 128 -21.790 14.133 1.041 1.00 39.49 C ATOM 983 NE ARG A 128 -22.414 15.457 1.106 1.00 43.28 N ATOM 984 CZ ARG A 128 -21.775 16.617 1.294 1.00 47.97 C ATOM 985 NH1 ARG A 128 -22.482 17.747 1.311 1.00 50.42 N ATOM 986 NH2 ARG A 128 -20.449 16.673 1.474 1.00 48.10 N ATOM 987 HE ARG A 128 -23.447 15.499 0.996 1.00 0.00 H ATOM 988 HH12 ARG A 128 -22.002 18.658 1.456 1.00 0.00 H ATOM 989 HH11 ARG A 128 -23.513 17.717 1.179 1.00 0.00 H ATOM 990 HH22 ARG A 128 -19.982 17.591 1.618 1.00 0.00 H ATOM 991 HH21 ARG A 128 -19.886 15.798 1.470 1.00 0.00 H ATOM 992 H ARG A 128 -24.656 12.688 4.856 1.00 0.00 H ATOM 993 N PHE A 129 -22.046 14.309 6.053 1.00 21.64 N ATOM 994 CA PHE A 129 -21.195 15.096 6.944 1.00 23.18 C ATOM 995 C PHE A 129 -20.723 14.267 8.118 1.00 19.97 C ATOM 996 O PHE A 129 -19.575 14.405 8.547 1.00 19.22 O ATOM 997 CB PHE A 129 -21.891 16.361 7.453 1.00 25.45 C ATOM 998 CG PHE A 129 -21.678 17.579 6.589 1.00 30.85 C ATOM 999 CD1 PHE A 129 -21.495 17.485 5.207 1.00 34.31 C ATOM 1000 CD2 PHE A 129 -21.654 18.842 7.177 1.00 35.25 C ATOM 1001 CE1 PHE A 129 -21.310 18.631 4.433 1.00 37.90 C ATOM 1002 CE2 PHE A 129 -21.458 19.988 6.408 1.00 38.05 C ATOM 1003 CZ PHE A 129 -21.298 19.880 5.034 1.00 38.50 C ATOM 1004 H PHE A 129 -23.041 14.580 5.919 1.00 0.00 H ATOM 1005 N TRP A 130 -21.598 13.431 8.669 1.00 18.10 N ATOM 1006 CA TRP A 130 -21.191 12.619 9.825 1.00 18.16 C ATOM 1007 C TRP A 130 -20.150 11.598 9.379 1.00 18.13 C ATOM 1008 O TRP A 130 -19.139 11.403 10.059 1.00 17.54 O ATOM 1009 CB TRP A 130 -22.391 11.938 10.485 1.00 18.71 C ATOM 1010 CG TRP A 130 -22.086 11.024 11.654 1.00 18.23 C ATOM 1011 CD1 TRP A 130 -22.445 9.733 11.757 1.00 18.32 C ATOM 1012 CD2 TRP A 130 -21.358 11.337 12.848 1.00 18.22 C ATOM 1013 NE1 TRP A 130 -21.986 9.191 12.940 1.00 18.94 N ATOM 1014 CE2 TRP A 130 -21.323 10.165 13.632 1.00 18.50 C ATOM 1015 CE3 TRP A 130 -20.750 12.498 13.341 1.00 18.30 C ATOM 1016 CZ2 TRP A 130 -20.684 10.114 14.865 1.00 18.13 C ATOM 1017 CZ3 TRP A 130 -20.132 12.440 14.592 1.00 17.78 C ATOM 1018 CH2 TRP A 130 -20.131 11.269 15.335 1.00 17.61 C ATOM 1019 HE1 TRP A 130 -22.122 8.208 13.252 1.00 0.00 H ATOM 1020 H TRP A 130 -22.562 13.352 8.286 1.00 0.00 H ATOM 1021 N LEU A 131 -20.366 10.949 8.236 1.00 19.34 N ATOM 1022 CA LEU A 131 -19.365 9.972 7.791 1.00 18.31 C ATOM 1023 C LEU A 131 -18.018 10.654 7.517 1.00 18.49 C ATOM 1024 O LEU A 131 -16.976 10.138 7.894 1.00 17.98 O ATOM 1025 CB LEU A 131 -19.811 9.198 6.559 1.00 19.93 C ATOM 1026 CG LEU A 131 -18.832 8.139 6.007 1.00 20.17 C ATOM 1027 CD1 LEU A 131 -18.461 7.096 7.041 1.00 21.44 C ATOM 1028 CD2 LEU A 131 -19.431 7.468 4.778 1.00 23.45 C ATOM 1029 H LEU A 131 -21.222 11.130 7.673 1.00 0.00 H ATOM 1030 N GLU A 132 -18.037 11.824 6.899 1.00 19.33 N ATOM 1031 CA GLU A 132 -16.803 12.547 6.631 1.00 20.93 C ATOM 1032 C GLU A 132 -16.068 12.832 7.953 1.00 19.44 C ATOM 1033 O GLU A 132 -14.836 12.753 8.034 1.00 19.40 O ATOM 1034 CB GLU A 132 -17.105 13.851 5.845 1.00 23.84 C ATOM 1035 CG GLU A 132 -16.125 14.200 4.747 1.00 30.02 C ATOM 1036 CD GLU A 132 -15.887 13.053 3.762 1.00 27.60 C ATOM 1037 OE1 GLU A 132 -14.748 12.651 3.734 1.00 34.26 O ATOM 1038 OE2 GLU A 132 -16.804 12.559 3.043 1.00 33.09 O ATOM 1039 H GLU A 132 -18.946 12.232 6.601 1.00 0.00 H ATOM 1040 N THR A 133 -16.842 13.164 8.982 1.00 18.38 N ATOM 1041 CA THR A 133 -16.302 13.418 10.300 1.00 19.27 C ATOM 1042 C THR A 133 -15.675 12.150 10.891 1.00 18.69 C ATOM 1043 O THR A 133 -14.546 12.197 11.425 1.00 18.86 O ATOM 1044 CB THR A 133 -17.394 13.983 11.242 1.00 19.32 C ATOM 1045 OG1 THR A 133 -17.928 15.201 10.707 1.00 19.75 O ATOM 1046 CG2 THR A 133 -16.814 14.307 12.590 1.00 19.42 C ATOM 1047 HG1 THR A 133 -18.326 15.023 9.818 1.00 0.00 H ATOM 1048 H THR A 133 -17.868 13.244 8.835 1.00 0.00 H ATOM 1049 N LEU A 134 -16.398 11.025 10.822 1.00 17.52 N ATOM 1050 CA LEU A 134 -15.849 9.735 11.265 1.00 18.43 C ATOM 1051 C LEU A 134 -14.529 9.404 10.560 1.00 18.75 C ATOM 1052 O LEU A 134 -13.582 8.986 11.215 1.00 18.56 O ATOM 1053 CB LEU A 134 -16.845 8.591 11.074 1.00 18.33 C ATOM 1054 CG LEU A 134 -18.148 8.588 11.870 1.00 19.93 C ATOM 1055 CD1 LEU A 134 -19.067 7.476 11.384 1.00 20.97 C ATOM 1056 CD2 LEU A 134 -17.891 8.386 13.348 1.00 21.33 C ATOM 1057 H LEU A 134 -17.367 11.065 10.447 1.00 0.00 H ATOM 1058 N LEU A 135 -14.454 9.632 9.248 1.00 18.84 N ATOM 1059 CA LEU A 135 -13.254 9.298 8.506 1.00 19.47 C ATOM 1060 C LEU A 135 -12.071 10.193 8.889 1.00 20.00 C ATOM 1061 O LEU A 135 -10.923 9.718 8.918 1.00 19.07 O ATOM 1062 CB LEU A 135 -13.514 9.393 6.997 1.00 19.73 C ATOM 1063 CG LEU A 135 -14.577 8.443 6.444 1.00 20.66 C ATOM 1064 CD1 LEU A 135 -14.638 8.609 4.921 1.00 22.27 C ATOM 1065 CD2 LEU A 135 -14.378 6.997 6.836 1.00 22.45 C ATOM 1066 H LEU A 135 -15.265 10.054 8.752 1.00 0.00 H ATOM 1067 N CYS A 136 -12.352 11.463 9.206 1.00 17.40 N ATOM 1068 CA CYS A 136 -11.316 12.367 9.725 1.00 19.78 C ATOM 1069 C CYS A 136 -10.724 11.832 11.004 1.00 19.06 C ATOM 1070 O CYS A 136 -9.521 11.867 11.176 1.00 19.33 O ATOM 1071 CB CYS A 136 -11.860 13.756 10.040 1.00 20.58 C ATOM 1072 SG CYS A 136 -12.175 14.736 8.578 1.00 24.19 S ATOM 1073 H CYS A 136 -13.322 11.817 9.083 1.00 0.00 H ATOM 1074 N LEU A 137 -11.583 11.335 11.900 1.00 17.84 N ATOM 1075 CA LEU A 137 -11.097 10.815 13.173 1.00 18.34 C ATOM 1076 C LEU A 137 -10.243 9.578 12.981 1.00 17.67 C ATOM 1077 O LEU A 137 -9.074 9.544 13.417 1.00 17.54 O ATOM 1078 CB LEU A 137 -12.265 10.449 14.097 1.00 19.36 C ATOM 1079 CG LEU A 137 -13.086 11.583 14.683 1.00 22.88 C ATOM 1080 CD1 LEU A 137 -14.241 11.074 15.523 1.00 22.54 C ATOM 1081 CD2 LEU A 137 -12.254 12.460 15.539 1.00 23.38 C ATOM 1082 H LEU A 137 -12.601 11.319 11.688 1.00 0.00 H ATOM 1083 N ILE A 138 -10.839 8.556 12.384 1.00 18.72 N ATOM 1084 CA ILE A 138 -10.236 7.225 12.367 1.00 17.99 C ATOM 1085 C ILE A 138 -8.992 7.186 11.489 1.00 18.97 C ATOM 1086 O ILE A 138 -8.070 6.431 11.781 1.00 18.54 O ATOM 1087 CB ILE A 138 -11.199 6.070 12.016 1.00 18.79 C ATOM 1088 CG1 ILE A 138 -11.646 6.076 10.545 1.00 18.81 C ATOM 1089 CG2 ILE A 138 -12.367 6.050 13.003 1.00 18.38 C ATOM 1090 CD1 ILE A 138 -12.547 4.913 10.175 1.00 19.94 C ATOM 1091 H ILE A 138 -11.756 8.705 11.917 1.00 0.00 H ATOM 1092 N GLY A 139 -9.002 7.977 10.424 1.00 18.05 N ATOM 1093 CA GLY A 139 -7.835 8.125 9.539 1.00 19.04 C ATOM 1094 C GLY A 139 -6.721 9.008 10.050 1.00 20.04 C ATOM 1095 O GLY A 139 -5.664 9.104 9.401 1.00 20.45 O ATOM 1096 H GLY A 139 -9.867 8.512 10.206 1.00 0.00 H ATOM 1097 N GLU A 140 -6.933 9.659 11.193 1.00 18.77 N ATOM 1098 CA GLU A 140 -5.966 10.528 11.841 1.00 19.78 C ATOM 1099 C GLU A 140 -5.634 11.723 10.917 1.00 20.39 C ATOM 1100 O GLU A 140 -4.468 12.057 10.680 1.00 21.89 O ATOM 1101 CB GLU A 140 -4.700 9.748 12.269 1.00 19.59 C ATOM 1102 CG GLU A 140 -5.001 8.593 13.229 1.00 20.15 C ATOM 1103 CD GLU A 140 -5.438 9.035 14.611 1.00 21.22 C ATOM 1104 OE1 GLU A 140 -5.032 10.111 15.042 1.00 26.79 O ATOM 1105 OE2 GLU A 140 -6.177 8.290 15.289 1.00 22.70 O ATOM 1106 H GLU A 140 -7.857 9.536 11.654 1.00 0.00 H ATOM 1107 N SER A 141 -6.682 12.379 10.416 1.00 19.56 N ATOM 1108 CA SER A 141 -6.500 13.465 9.457 1.00 21.47 C ATOM 1109 C SER A 141 -5.901 14.742 10.033 1.00 21.48 C ATOM 1110 O SER A 141 -5.473 15.591 9.275 1.00 25.10 O ATOM 1111 CB SER A 141 -7.834 13.802 8.783 1.00 21.73 C ATOM 1112 OG SER A 141 -8.322 12.688 8.049 1.00 25.51 O ATOM 1113 HG SER A 141 -7.664 12.440 7.352 1.00 0.00 H ATOM 1114 H SER A 141 -7.643 12.113 10.713 1.00 0.00 H ATOM 1115 N PHE A 142 -5.834 14.865 11.351 1.00 21.80 N ATOM 1116 CA PHE A 142 -5.337 16.071 12.007 1.00 23.64 C ATOM 1117 C PHE A 142 -3.825 16.075 12.240 1.00 26.98 C ATOM 1118 O PHE A 142 -3.305 16.880 12.996 1.00 25.66 O ATOM 1119 CB PHE A 142 -6.159 16.299 13.279 1.00 23.80 C ATOM 1120 CG PHE A 142 -7.628 16.413 12.968 1.00 22.99 C ATOM 1121 CD1 PHE A 142 -8.074 17.471 12.201 1.00 23.24 C ATOM 1122 CD2 PHE A 142 -8.519 15.418 13.329 1.00 23.41 C ATOM 1123 CE1 PHE A 142 -9.409 17.578 11.840 1.00 22.65 C ATOM 1124 CE2 PHE A 142 -9.866 15.521 12.988 1.00 23.98 C ATOM 1125 CZ PHE A 142 -10.302 16.608 12.242 1.00 23.03 C ATOM 1126 H PHE A 142 -6.148 14.069 11.942 1.00 0.00 H ATOM 1127 N ASP A 143 -3.116 15.188 11.539 1.00 31.98 N ATOM 1128 CA ASP A 143 -1.670 15.366 11.332 1.00 33.13 C ATOM 1129 C ASP A 143 -1.012 15.282 12.731 1.00 29.80 C ATOM 1130 O ASP A 143 -1.355 14.411 13.520 1.00 29.34 O ATOM 1131 CB ASP A 143 -1.371 16.690 10.589 1.00 37.68 C ATOM 1132 CG ASP A 143 -2.130 16.843 9.255 1.00 45.09 C ATOM 1133 OD1 ASP A 143 -1.619 16.326 8.233 1.00 42.96 O ATOM 1134 OD2 ASP A 143 -3.198 17.525 9.217 1.00 42.15 O ATOM 1135 H ASP A 143 -3.593 14.358 11.133 1.00 0.00 H ATOM 1136 N ASP A 144 -0.137 16.224 13.085 1.00 28.68 N ATOM 1137 CA ASP A 144 0.555 16.196 14.379 1.00 27.85 C ATOM 1138 C ASP A 144 -0.286 16.601 15.579 1.00 26.41 C ATOM 1139 O ASP A 144 0.201 16.563 16.708 1.00 25.74 O ATOM 1140 CB ASP A 144 1.781 17.107 14.338 1.00 29.31 C ATOM 1141 CG ASP A 144 2.820 16.632 13.357 1.00 33.87 C ATOM 1142 OD1 ASP A 144 2.865 15.404 13.088 1.00 34.95 O ATOM 1143 OD2 ASP A 144 3.601 17.485 12.868 1.00 37.15 O ATOM 1144 H ASP A 144 0.061 17.002 12.424 1.00 0.00 H ATOM 1145 N TYR A 145 -1.547 16.988 15.355 1.00 26.07 N ATOM 1146 CA TYR A 145 -2.427 17.367 16.443 1.00 25.85 C ATOM 1147 C TYR A 145 -3.470 16.290 16.762 1.00 26.38 C ATOM 1148 O TYR A 145 -4.469 16.547 17.457 1.00 24.61 O ATOM 1149 CB TYR A 145 -3.042 18.732 16.115 1.00 27.20 C ATOM 1150 CG TYR A 145 -1.977 19.805 16.153 1.00 28.02 C ATOM 1151 CD1 TYR A 145 -1.327 20.096 17.346 1.00 29.44 C ATOM 1152 CD2 TYR A 145 -1.595 20.491 15.016 1.00 31.71 C ATOM 1153 CE1 TYR A 145 -0.339 21.055 17.411 1.00 33.18 C ATOM 1154 CE2 TYR A 145 -0.599 21.462 15.075 1.00 31.39 C ATOM 1155 CZ TYR A 145 0.012 21.737 16.275 1.00 31.09 C ATOM 1156 OH TYR A 145 1.010 22.694 16.378 1.00 36.22 O ATOM 1157 HH TYR A 145 1.321 22.745 17.316 1.00 0.00 H ATOM 1158 H TYR A 145 -1.904 17.018 14.379 1.00 0.00 H ATOM 1159 N SER A 146 -3.171 15.066 16.318 1.00 25.64 N ATOM 1160 CA SER A 146 -4.016 13.915 16.615 1.00 25.72 C ATOM 1161 C SER A 146 -4.247 13.659 18.099 1.00 26.14 C ATOM 1162 O SER A 146 -5.373 13.294 18.485 1.00 25.01 O ATOM 1163 CB SER A 146 -3.460 12.669 15.936 1.00 26.08 C ATOM 1164 OG SER A 146 -3.681 12.751 14.537 1.00 26.32 O ATOM 1165 HG SER A 146 -4.653 12.816 14.361 1.00 0.00 H ATOM 1166 H SER A 146 -2.313 14.930 15.746 1.00 0.00 H ATOM 1167 N ASP A 147 -3.223 13.839 18.943 1.00 25.32 N ATOM 1168 CA ASP A 147 -3.386 13.610 20.363 1.00 28.66 C ATOM 1169 C ASP A 147 -4.444 14.513 21.019 1.00 26.95 C ATOM 1170 O ASP A 147 -5.087 14.091 21.976 1.00 28.11 O ATOM 1171 CB ASP A 147 -2.061 13.727 21.114 1.00 32.00 C ATOM 1172 CG ASP A 147 -2.188 13.320 22.565 1.00 38.39 C ATOM 1173 OD1 ASP A 147 -2.585 12.157 22.831 1.00 43.17 O ATOM 1174 OD2 ASP A 147 -1.925 14.170 23.446 1.00 47.33 O ATOM 1175 H ASP A 147 -2.301 14.147 18.574 1.00 0.00 H ATOM 1176 N ASP A 148 -4.642 15.727 20.497 1.00 25.24 N ATOM 1177 CA ASP A 148 -5.633 16.640 21.059 1.00 24.14 C ATOM 1178 C ASP A 148 -7.090 16.239 20.758 1.00 22.12 C ATOM 1179 O ASP A 148 -7.993 16.727 21.420 1.00 21.18 O ATOM 1180 CB ASP A 148 -5.415 18.103 20.621 1.00 24.49 C ATOM 1181 CG ASP A 148 -4.429 18.845 21.498 1.00 25.88 C ATOM 1182 OD1 ASP A 148 -3.238 18.476 21.477 1.00 29.25 O ATOM 1183 OD2 ASP A 148 -4.829 19.792 22.205 1.00 25.01 O ATOM 1184 H ASP A 148 -4.080 16.027 19.675 1.00 0.00 H ATOM 1185 N VAL A 149 -7.325 15.377 19.777 1.00 21.03 N ATOM 1186 CA VAL A 149 -8.689 15.008 19.405 1.00 20.55 C ATOM 1187 C VAL A 149 -9.214 14.021 20.443 1.00 20.10 C ATOM 1188 O VAL A 149 -8.520 13.075 20.785 1.00 19.84 O ATOM 1189 CB VAL A 149 -8.717 14.338 18.033 1.00 20.99 C ATOM 1190 CG1 VAL A 149 -10.137 13.891 17.667 1.00 22.04 C ATOM 1191 CG2 VAL A 149 -8.162 15.288 16.983 1.00 21.72 C ATOM 1192 H VAL A 149 -6.524 14.957 19.264 1.00 0.00 H ATOM 1193 N CYS A 150 -10.421 14.262 20.947 1.00 18.60 N ATOM 1194 CA CYS A 150 -11.112 13.315 21.810 1.00 18.73 C ATOM 1195 C CYS A 150 -12.140 12.482 21.040 1.00 18.42 C ATOM 1196 O CYS A 150 -12.270 11.272 21.239 1.00 18.20 O ATOM 1197 CB CYS A 150 -11.773 14.051 22.956 1.00 19.60 C ATOM 1198 SG CYS A 150 -10.547 14.969 23.926 1.00 21.68 S ATOM 1199 H CYS A 150 -10.889 15.161 20.716 1.00 0.00 H ATOM 1200 N GLY A 151 -12.923 13.146 20.191 1.00 16.87 N ATOM 1201 CA GLY A 151 -13.962 12.457 19.481 1.00 17.23 C ATOM 1202 C GLY A 151 -14.844 13.416 18.736 1.00 16.81 C ATOM 1203 O GLY A 151 -14.483 14.600 18.546 1.00 17.22 O ATOM 1204 H GLY A 151 -12.781 14.166 20.043 1.00 0.00 H ATOM 1205 N ALA A 152 -15.996 12.898 18.307 1.00 16.13 N ATOM 1206 CA ALA A 152 -16.977 13.707 17.619 1.00 15.97 C ATOM 1207 C ALA A 152 -18.393 13.272 18.018 1.00 15.92 C ATOM 1208 O ALA A 152 -18.610 12.160 18.457 1.00 16.51 O ATOM 1209 CB ALA A 152 -16.794 13.605 16.115 1.00 16.73 C ATOM 1210 H ALA A 152 -16.193 11.890 18.471 1.00 0.00 H ATOM 1211 N VAL A 153 -19.348 14.184 17.839 1.00 16.63 N ATOM 1212 CA VAL A 153 -20.715 13.982 18.248 1.00 16.61 C ATOM 1213 C VAL A 153 -21.636 14.530 17.152 1.00 16.26 C ATOM 1214 O VAL A 153 -21.401 15.616 16.637 1.00 16.35 O ATOM 1215 CB VAL A 153 -21.027 14.771 19.547 1.00 17.78 C ATOM 1216 CG1 VAL A 153 -22.493 14.630 19.954 1.00 18.89 C ATOM 1217 CG2 VAL A 153 -20.109 14.340 20.691 1.00 17.66 C ATOM 1218 H VAL A 153 -19.095 15.084 17.383 1.00 0.00 H ATOM 1219 N VAL A 154 -22.658 13.761 16.810 1.00 16.69 N ATOM 1220 CA VAL A 154 -23.757 14.254 15.988 1.00 17.30 C ATOM 1221 C VAL A 154 -25.048 14.291 16.819 1.00 17.89 C ATOM 1222 O VAL A 154 -25.438 13.284 17.412 1.00 18.58 O ATOM 1223 CB VAL A 154 -23.944 13.484 14.654 1.00 18.15 C ATOM 1224 CG1 VAL A 154 -24.074 11.993 14.854 1.00 18.27 C ATOM 1225 CG2 VAL A 154 -25.113 14.062 13.838 1.00 18.25 C ATOM 1226 H VAL A 154 -22.678 12.774 17.138 1.00 0.00 H ATOM 1227 N ASN A 155 -25.676 15.461 16.853 1.00 19.99 N ATOM 1228 CA ASN A 155 -26.951 15.639 17.559 1.00 19.23 C ATOM 1229 C ASN A 155 -28.047 15.782 16.523 1.00 19.81 C ATOM 1230 O ASN A 155 -27.981 16.682 15.717 1.00 20.37 O ATOM 1231 CB ASN A 155 -26.954 16.909 18.432 1.00 19.11 C ATOM 1232 CG ASN A 155 -25.758 17.025 19.380 1.00 20.11 C ATOM 1233 OD1 ASN A 155 -25.012 17.999 19.289 1.00 23.07 O ATOM 1234 ND2 ASN A 155 -25.633 16.118 20.326 1.00 20.81 N ATOM 1235 HD22 ASN A 155 -26.288 15.311 20.363 1.00 0.00 H ATOM 1236 HD21 ASN A 155 -24.879 16.208 21.037 1.00 0.00 H ATOM 1237 H ASN A 155 -25.252 16.275 16.365 1.00 0.00 H ATOM 1238 N VAL A 156 -29.057 14.920 16.570 1.00 19.42 N ATOM 1239 CA VAL A 156 -30.226 15.053 15.699 1.00 21.44 C ATOM 1240 C VAL A 156 -31.251 15.879 16.500 1.00 21.03 C ATOM 1241 O VAL A 156 -31.685 15.472 17.586 1.00 21.91 O ATOM 1242 CB VAL A 156 -30.746 13.677 15.249 1.00 21.70 C ATOM 1243 CG1 VAL A 156 -32.013 13.810 14.400 1.00 22.38 C ATOM 1244 CG2 VAL A 156 -29.660 12.954 14.465 1.00 22.75 C ATOM 1245 H VAL A 156 -29.016 14.129 17.244 1.00 0.00 H ATOM 1246 N ARG A 157 -31.589 17.057 15.984 1.00 22.00 N ATOM 1247 CA ARG A 157 -32.393 18.021 16.740 1.00 22.92 C ATOM 1248 C ARG A 157 -33.394 18.726 15.844 1.00 23.61 C ATOM 1249 O ARG A 157 -33.073 19.129 14.708 1.00 22.75 O ATOM 1250 CB ARG A 157 -31.516 19.086 17.415 1.00 22.92 C ATOM 1251 CG ARG A 157 -30.566 18.585 18.495 1.00 22.74 C ATOM 1252 CD ARG A 157 -31.272 18.043 19.721 1.00 21.57 C ATOM 1253 NE ARG A 157 -30.334 17.591 20.757 1.00 22.41 N ATOM 1254 CZ ARG A 157 -29.734 16.403 20.791 1.00 22.39 C ATOM 1255 NH1 ARG A 157 -29.913 15.500 19.836 1.00 22.85 N ATOM 1256 NH2 ARG A 157 -28.905 16.127 21.780 1.00 24.45 N ATOM 1257 HE ARG A 157 -30.121 18.255 21.529 1.00 0.00 H ATOM 1258 HH12 ARG A 157 -29.430 14.581 19.892 1.00 0.00 H ATOM 1259 HH11 ARG A 157 -30.537 15.711 19.031 1.00 0.00 H ATOM 1260 HH22 ARG A 157 -28.430 15.203 21.818 1.00 0.00 H ATOM 1261 HH21 ARG A 157 -28.727 16.834 22.522 1.00 0.00 H ATOM 1262 H ARG A 157 -31.276 17.300 15.022 1.00 0.00 H ATOM 1263 N ALA A 158 -34.593 18.929 16.392 1.00 23.89 N ATOM 1264 CA ALA A 158 -35.633 19.693 15.685 1.00 25.90 C ATOM 1265 C ALA A 158 -35.174 21.093 15.252 1.00 24.66 C ATOM 1266 O ALA A 158 -35.488 21.526 14.143 1.00 27.26 O ATOM 1267 CB ALA A 158 -36.878 19.796 16.555 1.00 26.11 C ATOM 1268 H ALA A 158 -34.796 18.541 17.335 1.00 0.00 H ATOM 1269 N LYS A 159 -34.438 21.785 16.118 1.00 26.66 N ATOM 1270 CA LYS A 159 -33.985 23.157 15.852 1.00 26.82 C ATOM 1271 C LYS A 159 -32.804 23.249 14.878 1.00 28.70 C ATOM 1272 O LYS A 159 -32.418 24.350 14.512 1.00 31.22 O ATOM 1273 CB LYS A 159 -33.603 23.848 17.155 1.00 27.74 C ATOM 1274 H LYS A 159 -34.173 21.337 17.018 1.00 0.00 H ATOM 1275 N GLY A 160 -32.204 22.112 14.501 1.00 25.14 N ATOM 1276 CA GLY A 160 -31.086 22.101 13.576 1.00 25.33 C ATOM 1277 C GLY A 160 -30.113 21.047 14.066 1.00 23.50 C ATOM 1278 O GLY A 160 -29.809 20.977 15.270 1.00 24.37 O ATOM 1279 H GLY A 160 -32.550 21.209 14.883 1.00 0.00 H ATOM 1280 N ASP A 161 -29.645 20.216 13.154 1.00 22.75 N ATOM 1281 CA ASP A 161 -28.698 19.159 13.539 1.00 21.85 C ATOM 1282 C ASP A 161 -27.327 19.774 13.762 1.00 21.86 C ATOM 1283 O ASP A 161 -27.012 20.811 13.212 1.00 22.36 O ATOM 1284 CB ASP A 161 -28.640 18.053 12.488 1.00 22.17 C ATOM 1285 CG ASP A 161 -30.007 17.402 12.237 1.00 25.48 C ATOM 1286 OD1 ASP A 161 -30.798 17.192 13.192 1.00 22.84 O ATOM 1287 OD2 ASP A 161 -30.291 17.071 11.059 1.00 27.18 O ATOM 1288 H ASP A 161 -29.946 20.309 12.163 1.00 0.00 H ATOM 1289 N LYS A 162 -26.537 19.151 14.635 1.00 21.50 N ATOM 1290 CA LYS A 162 -25.218 19.656 14.959 1.00 20.48 C ATOM 1291 C LYS A 162 -24.210 18.508 14.808 1.00 18.75 C ATOM 1292 O LYS A 162 -24.484 17.366 15.183 1.00 18.11 O ATOM 1293 CB LYS A 162 -25.195 20.210 16.383 1.00 21.96 C ATOM 1294 CG LYS A 162 -26.007 21.481 16.542 1.00 23.33 C ATOM 1295 CD LYS A 162 -26.061 21.935 17.987 1.00 23.67 C ATOM 1296 CE LYS A 162 -27.033 21.127 18.807 1.00 25.17 C ATOM 1297 NZ LYS A 162 -27.107 21.714 20.179 1.00 25.83 N ATOM 1298 HZ1 LYS A 162 -26.165 21.686 20.618 1.00 0.00 H ATOM 1299 HZ2 LYS A 162 -27.432 22.700 20.116 1.00 0.00 H ATOM 1300 HZ3 LYS A 162 -27.776 21.164 20.755 1.00 0.00 H ATOM 1301 H LYS A 162 -26.875 18.282 15.095 1.00 0.00 H ATOM 1302 N ILE A 163 -23.045 18.841 14.281 1.00 18.93 N ATOM 1303 CA ILE A 163 -21.897 17.913 14.339 1.00 18.82 C ATOM 1304 C ILE A 163 -20.743 18.687 14.967 1.00 17.98 C ATOM 1305 O ILE A 163 -20.584 19.898 14.750 1.00 17.89 O ATOM 1306 CB ILE A 163 -21.518 17.364 12.942 1.00 19.56 C ATOM 1307 CG1 ILE A 163 -22.705 16.619 12.314 1.00 21.32 C ATOM 1308 CG2 ILE A 163 -20.341 16.429 13.059 1.00 21.21 C ATOM 1309 CD1 ILE A 163 -22.465 16.195 10.878 1.00 23.30 C ATOM 1310 H ILE A 163 -22.935 19.767 13.820 1.00 0.00 H ATOM 1311 N ALA A 164 -19.963 18.015 15.809 1.00 18.70 N ATOM 1312 CA ALA A 164 -18.867 18.689 16.449 1.00 18.32 C ATOM 1313 C ALA A 164 -17.681 17.785 16.637 1.00 17.67 C ATOM 1314 O ALA A 164 -17.848 16.583 16.815 1.00 17.83 O ATOM 1315 CB ALA A 164 -19.313 19.211 17.803 1.00 18.44 C ATOM 1316 H ALA A 164 -20.145 17.010 16.003 1.00 0.00 H ATOM 1317 N ILE A 165 -16.491 18.366 16.539 1.00 17.66 N ATOM 1318 CA ILE A 165 -15.266 17.691 16.965 1.00 17.31 C ATOM 1319 C ILE A 165 -14.864 18.238 18.339 1.00 16.79 C ATOM 1320 O ILE A 165 -14.699 19.460 18.542 1.00 16.50 O ATOM 1321 CB ILE A 165 -14.125 17.816 15.939 1.00 18.12 C ATOM 1322 CG1 ILE A 165 -14.494 17.006 14.697 1.00 20.92 C ATOM 1323 CG2 ILE A 165 -12.813 17.282 16.532 1.00 19.01 C ATOM 1324 CD1 ILE A 165 -13.500 17.096 13.580 1.00 22.62 C ATOM 1325 H ILE A 165 -16.429 19.328 16.148 1.00 0.00 H ATOM 1326 N TRP A 166 -14.688 17.305 19.264 1.00 17.24 N ATOM 1327 CA TRP A 166 -14.260 17.615 20.618 1.00 16.74 C ATOM 1328 C TRP A 166 -12.742 17.427 20.795 1.00 17.70 C ATOM 1329 O TRP A 166 -12.196 16.397 20.404 1.00 17.95 O ATOM 1330 CB TRP A 166 -14.970 16.699 21.589 1.00 17.30 C ATOM 1331 CG TRP A 166 -16.449 16.956 21.797 1.00 17.65 C ATOM 1332 CD1 TRP A 166 -17.365 17.437 20.905 1.00 17.87 C ATOM 1333 CD2 TRP A 166 -17.163 16.729 23.013 1.00 18.26 C ATOM 1334 NE1 TRP A 166 -18.595 17.513 21.497 1.00 18.65 N ATOM 1335 CE2 TRP A 166 -18.499 17.079 22.789 1.00 18.47 C ATOM 1336 CE3 TRP A 166 -16.790 16.265 24.270 1.00 18.80 C ATOM 1337 CZ2 TRP A 166 -19.485 16.975 23.784 1.00 19.29 C ATOM 1338 CZ3 TRP A 166 -17.757 16.132 25.244 1.00 18.74 C ATOM 1339 CH2 TRP A 166 -19.096 16.501 24.994 1.00 19.13 C ATOM 1340 HE1 TRP A 166 -19.465 17.848 21.037 1.00 0.00 H ATOM 1341 H TRP A 166 -14.863 16.312 19.011 1.00 0.00 H ATOM 1342 N THR A 167 -12.098 18.427 21.389 1.00 17.88 N ATOM 1343 CA THR A 167 -10.640 18.384 21.656 1.00 18.37 C ATOM 1344 C THR A 167 -10.402 18.588 23.140 1.00 20.91 C ATOM 1345 O THR A 167 -11.262 19.056 23.867 1.00 20.51 O ATOM 1346 CB THR A 167 -9.820 19.394 20.802 1.00 19.55 C ATOM 1347 OG1 THR A 167 -9.829 20.705 21.409 1.00 20.71 O ATOM 1348 CG2 THR A 167 -10.356 19.493 19.403 1.00 20.67 C ATOM 1349 HG1 THR A 167 -10.762 21.029 21.479 1.00 0.00 H ATOM 1350 H THR A 167 -12.636 19.269 21.677 1.00 0.00 H ATOM 1351 N THR A 168 -9.190 18.260 23.569 1.00 20.27 N ATOM 1352 CA THR A 168 -8.917 18.055 24.985 1.00 20.90 C ATOM 1353 C THR A 168 -8.577 19.313 25.782 1.00 21.04 C ATOM 1354 O THR A 168 -8.768 19.330 26.990 1.00 22.05 O ATOM 1355 CB THR A 168 -7.812 16.994 25.145 1.00 21.64 C ATOM 1356 OG1 THR A 168 -7.813 16.457 26.475 1.00 22.48 O ATOM 1357 CG2 THR A 168 -6.430 17.554 24.765 1.00 22.39 C ATOM 1358 HG1 THR A 168 -8.690 16.036 26.659 1.00 0.00 H ATOM 1359 H THR A 168 -8.419 18.147 22.880 1.00 0.00 H ATOM 1360 N GLU A 169 -8.073 20.350 25.122 1.00 22.59 N ATOM 1361 CA GLU A 169 -7.560 21.516 25.840 1.00 25.20 C ATOM 1362 C GLU A 169 -7.810 22.815 25.080 1.00 24.93 C ATOM 1363 O GLU A 169 -7.189 23.059 24.044 1.00 24.71 O ATOM 1364 CB GLU A 169 -6.052 21.320 26.090 1.00 26.70 C ATOM 1365 CG GLU A 169 -5.360 22.484 26.777 1.00 30.09 C ATOM 1366 CD GLU A 169 -6.028 22.875 28.080 1.00 31.68 C ATOM 1367 OE1 GLU A 169 -5.861 22.134 29.074 1.00 31.73 O ATOM 1368 OE2 GLU A 169 -6.728 23.914 28.105 1.00 33.98 O ATOM 1369 H GLU A 169 -8.043 20.332 24.083 1.00 0.00 H ATOM 1370 N CYS A 170 -8.698 23.652 25.621 1.00 25.76 N ATOM 1371 CA CYS A 170 -9.037 24.900 24.950 1.00 27.52 C ATOM 1372 C CYS A 170 -7.832 25.874 24.869 1.00 28.25 C ATOM 1373 O CYS A 170 -7.793 26.700 23.961 1.00 29.96 O ATOM 1374 CB CYS A 170 -10.296 25.549 25.557 1.00 28.02 C ATOM 1375 SG CYS A 170 -10.238 25.924 27.325 1.00 29.18 S ATOM 1376 H CYS A 170 -9.150 23.412 26.526 1.00 0.00 H ATOM 1377 N GLU A 171 -6.865 25.750 25.775 1.00 28.68 N ATOM 1378 CA GLU A 171 -5.681 26.616 25.739 1.00 32.70 C ATOM 1379 C GLU A 171 -4.673 26.282 24.632 1.00 31.45 C ATOM 1380 O GLU A 171 -3.809 27.112 24.314 1.00 30.79 O ATOM 1381 CB GLU A 171 -4.973 26.642 27.108 1.00 36.37 C ATOM 1382 CG GLU A 171 -5.855 27.067 28.285 1.00 43.16 C ATOM 1383 CD GLU A 171 -6.478 28.442 28.139 1.00 48.65 C ATOM 1384 OE1 GLU A 171 -5.875 29.319 27.481 1.00 55.57 O ATOM 1385 OE2 GLU A 171 -7.578 28.655 28.701 1.00 57.97 O ATOM 1386 H GLU A 171 -6.950 25.029 26.519 1.00 0.00 H ATOM 1387 N ASN A 172 -4.782 25.099 24.016 1.00 29.60 N ATOM 1388 CA ASN A 172 -3.814 24.668 23.008 1.00 28.92 C ATOM 1389 C ASN A 172 -4.217 25.254 21.666 1.00 27.35 C ATOM 1390 O ASN A 172 -4.774 24.553 20.816 1.00 25.57 O ATOM 1391 CB ASN A 172 -3.776 23.140 22.914 1.00 28.83 C ATOM 1392 CG ASN A 172 -3.104 22.487 24.092 1.00 31.06 C ATOM 1393 OD1 ASN A 172 -2.484 23.153 24.920 1.00 31.43 O ATOM 1394 ND2 ASN A 172 -3.189 21.161 24.150 1.00 29.67 N ATOM 1395 HD22 ASN A 172 -3.725 20.642 23.426 1.00 0.00 H ATOM 1396 HD21 ASN A 172 -2.719 20.643 24.920 1.00 0.00 H ATOM 1397 H ASN A 172 -5.574 24.471 24.260 1.00 0.00 H ATOM 1398 N ARG A 173 -3.898 26.533 21.479 1.00 27.39 N ATOM 1399 CA ARG A 173 -4.328 27.302 20.309 1.00 27.47 C ATOM 1400 C ARG A 173 -3.904 26.675 18.993 1.00 27.12 C ATOM 1401 O ARG A 173 -4.707 26.561 18.060 1.00 26.59 O ATOM 1402 CB ARG A 173 -3.762 28.728 20.370 1.00 28.18 C ATOM 1403 CG ARG A 173 -4.363 29.666 19.345 1.00 29.46 C ATOM 1404 CD ARG A 173 -3.358 30.640 18.750 1.00 29.10 C ATOM 1405 NE ARG A 173 -3.905 31.178 17.514 1.00 29.34 N ATOM 1406 CZ ARG A 173 -3.433 30.897 16.310 1.00 29.17 C ATOM 1407 NH1 ARG A 173 -2.376 30.115 16.180 1.00 29.18 N ATOM 1408 NH2 ARG A 173 -4.013 31.404 15.241 1.00 29.00 N ATOM 1409 HE ARG A 173 -4.718 31.824 17.581 1.00 0.00 H ATOM 1410 HH12 ARG A 173 -2.006 29.895 15.234 1.00 0.00 H ATOM 1411 HH11 ARG A 173 -1.914 29.720 17.024 1.00 0.00 H ATOM 1412 HH22 ARG A 173 -3.643 31.184 14.295 1.00 0.00 H ATOM 1413 HH21 ARG A 173 -4.841 32.025 15.344 1.00 0.00 H ATOM 1414 H ARG A 173 -3.316 27.009 22.198 1.00 0.00 H ATOM 1415 N GLU A 174 -2.628 26.305 18.908 1.00 27.53 N ATOM 1416 CA GLU A 174 -2.103 25.731 17.686 1.00 29.87 C ATOM 1417 C GLU A 174 -2.888 24.486 17.294 1.00 25.97 C ATOM 1418 O GLU A 174 -3.320 24.373 16.152 1.00 26.42 O ATOM 1419 CB GLU A 174 -0.610 25.401 17.817 1.00 33.50 C ATOM 1420 CG GLU A 174 0.277 26.633 17.882 1.00 38.04 C ATOM 1421 CD GLU A 174 0.239 27.447 16.603 1.00 41.31 C ATOM 1422 OE1 GLU A 174 -0.008 28.674 16.685 1.00 47.38 O ATOM 1423 OE2 GLU A 174 0.422 26.855 15.513 1.00 46.56 O ATOM 1424 H GLU A 174 -2.001 26.429 19.728 1.00 0.00 H ATOM 1425 N ALA A 175 -3.080 23.584 18.248 1.00 24.71 N ATOM 1426 CA ALA A 175 -3.793 22.324 17.990 1.00 23.37 C ATOM 1427 C ALA A 175 -5.245 22.582 17.608 1.00 22.66 C ATOM 1428 O ALA A 175 -5.729 22.066 16.601 1.00 20.50 O ATOM 1429 CB ALA A 175 -3.730 21.384 19.189 1.00 23.84 C ATOM 1430 H ALA A 175 -2.716 23.773 19.204 1.00 0.00 H ATOM 1431 N VAL A 176 -5.915 23.389 18.416 1.00 20.73 N ATOM 1432 CA VAL A 176 -7.354 23.657 18.207 1.00 21.68 C ATOM 1433 C VAL A 176 -7.586 24.278 16.837 1.00 20.78 C ATOM 1434 O VAL A 176 -8.451 23.825 16.079 1.00 19.60 O ATOM 1435 CB VAL A 176 -7.935 24.543 19.338 1.00 22.49 C ATOM 1436 CG1 VAL A 176 -9.367 25.013 19.017 1.00 22.93 C ATOM 1437 CG2 VAL A 176 -7.943 23.769 20.635 1.00 23.01 C ATOM 1438 H VAL A 176 -5.421 23.842 19.211 1.00 0.00 H ATOM 1439 N THR A 177 -6.799 25.304 16.484 1.00 21.57 N ATOM 1440 CA THR A 177 -6.988 25.993 15.207 1.00 21.58 C ATOM 1441 C THR A 177 -6.572 25.147 14.003 1.00 21.49 C ATOM 1442 O THR A 177 -7.260 25.185 12.989 1.00 21.25 O ATOM 1443 CB THR A 177 -6.286 27.346 15.136 1.00 23.86 C ATOM 1444 OG1 THR A 177 -4.887 27.166 15.355 1.00 24.45 O ATOM 1445 CG2 THR A 177 -6.863 28.287 16.165 1.00 24.84 C ATOM 1446 HG1 THR A 177 -4.743 26.765 16.248 1.00 0.00 H ATOM 1447 H THR A 177 -6.043 25.615 17.127 1.00 0.00 H ATOM 1448 N HIS A 178 -5.518 24.340 14.119 1.00 21.42 N ATOM 1449 CA HIS A 178 -5.214 23.393 13.030 1.00 23.56 C ATOM 1450 C HIS A 178 -6.363 22.393 12.792 1.00 21.90 C ATOM 1451 O HIS A 178 -6.766 22.139 11.647 1.00 22.88 O ATOM 1452 CB HIS A 178 -3.913 22.645 13.282 1.00 25.48 C ATOM 1453 CG HIS A 178 -3.533 21.747 12.150 1.00 29.18 C ATOM 1454 ND1 HIS A 178 -3.059 22.233 10.950 1.00 33.85 N ATOM 1455 CD2 HIS A 178 -3.604 20.403 12.012 1.00 31.67 C ATOM 1456 CE1 HIS A 178 -2.832 21.220 10.131 1.00 33.63 C ATOM 1457 NE2 HIS A 178 -3.155 20.101 10.752 1.00 33.85 N ATOM 1458 H HIS A 178 -4.917 24.377 14.967 1.00 0.00 H ATOM 1459 N ILE A 179 -6.918 21.861 13.876 1.00 21.39 N ATOM 1460 CA ILE A 179 -7.988 20.864 13.781 1.00 19.73 C ATOM 1461 C ILE A 179 -9.192 21.526 13.095 1.00 19.55 C ATOM 1462 O ILE A 179 -9.759 21.003 12.134 1.00 19.44 O ATOM 1463 CB ILE A 179 -8.349 20.266 15.160 1.00 19.77 C ATOM 1464 CG1 ILE A 179 -7.192 19.378 15.695 1.00 19.62 C ATOM 1465 CG2 ILE A 179 -9.666 19.505 15.090 1.00 20.69 C ATOM 1466 CD1 ILE A 179 -7.225 19.159 17.184 1.00 19.70 C ATOM 1467 H ILE A 179 -6.585 22.160 14.815 1.00 0.00 H ATOM 1468 N GLY A 180 -9.533 22.717 13.570 1.00 19.92 N ATOM 1469 CA GLY A 180 -10.587 23.521 12.945 1.00 20.98 C ATOM 1470 C GLY A 180 -10.432 23.678 11.453 1.00 20.97 C ATOM 1471 O GLY A 180 -11.387 23.454 10.694 1.00 21.66 O ATOM 1472 H GLY A 180 -9.040 23.089 14.407 1.00 0.00 H ATOM 1473 N ARG A 181 -9.248 24.096 11.028 1.00 21.98 N ATOM 1474 CA ARG A 181 -9.014 24.353 9.622 1.00 23.03 C ATOM 1475 C ARG A 181 -9.093 23.109 8.779 1.00 22.61 C ATOM 1476 O ARG A 181 -9.688 23.134 7.709 1.00 24.36 O ATOM 1477 CB ARG A 181 -7.657 25.027 9.410 1.00 26.64 C ATOM 1478 CG ARG A 181 -7.610 26.438 9.948 1.00 30.51 C ATOM 1479 CD ARG A 181 -6.328 27.144 9.532 1.00 35.06 C ATOM 1480 NE ARG A 181 -5.191 26.735 10.355 1.00 38.70 N ATOM 1481 CZ ARG A 181 -4.104 26.074 9.940 1.00 45.75 C ATOM 1482 NH1 ARG A 181 -3.939 25.698 8.669 1.00 50.41 N ATOM 1483 NH2 ARG A 181 -3.152 25.782 10.825 1.00 47.93 N ATOM 1484 HE ARG A 181 -5.231 26.983 11.364 1.00 0.00 H ATOM 1485 HH12 ARG A 181 -3.079 25.186 8.386 1.00 0.00 H ATOM 1486 HH11 ARG A 181 -4.670 25.918 7.963 1.00 0.00 H ATOM 1487 HH22 ARG A 181 -2.300 25.269 10.522 1.00 0.00 H ATOM 1488 HH21 ARG A 181 -3.261 26.067 11.819 1.00 0.00 H ATOM 1489 H ARG A 181 -8.478 24.241 11.712 1.00 0.00 H ATOM 1490 N VAL A 182 -8.508 22.021 9.260 1.00 22.49 N ATOM 1491 CA VAL A 182 -8.548 20.746 8.511 1.00 24.06 C ATOM 1492 C VAL A 182 -9.984 20.241 8.405 1.00 22.82 C ATOM 1493 O VAL A 182 -10.408 19.769 7.341 1.00 24.15 O ATOM 1494 CB VAL A 182 -7.654 19.671 9.147 1.00 25.30 C ATOM 1495 CG1 VAL A 182 -7.926 18.292 8.542 1.00 25.33 C ATOM 1496 CG2 VAL A 182 -6.190 20.056 8.983 1.00 28.02 C ATOM 1497 H VAL A 182 -8.015 22.064 10.175 1.00 0.00 H ATOM 1498 N TYR A 183 -10.725 20.351 9.506 1.00 21.66 N ATOM 1499 CA TYR A 183 -12.113 19.916 9.532 1.00 22.32 C ATOM 1500 C TYR A 183 -12.993 20.694 8.567 1.00 23.92 C ATOM 1501 O TYR A 183 -13.761 20.101 7.806 1.00 23.53 O ATOM 1502 CB TYR A 183 -12.678 20.020 10.929 1.00 21.25 C ATOM 1503 CG TYR A 183 -14.044 19.395 11.134 1.00 22.41 C ATOM 1504 CD1 TYR A 183 -14.409 18.192 10.513 1.00 21.73 C ATOM 1505 CD2 TYR A 183 -14.941 19.967 12.014 1.00 22.79 C ATOM 1506 CE1 TYR A 183 -15.638 17.602 10.760 1.00 23.02 C ATOM 1507 CE2 TYR A 183 -16.176 19.390 12.258 1.00 23.93 C ATOM 1508 CZ TYR A 183 -16.522 18.218 11.636 1.00 23.16 C ATOM 1509 OH TYR A 183 -17.756 17.661 11.882 1.00 25.66 O ATOM 1510 HH TYR A 183 -17.849 16.825 11.360 1.00 0.00 H ATOM 1511 H TYR A 183 -10.302 20.756 10.365 1.00 0.00 H ATOM 1512 N LYS A 184 -12.871 22.021 8.612 1.00 23.63 N ATOM 1513 CA LYS A 184 -13.584 22.905 7.696 1.00 26.26 C ATOM 1514 C LYS A 184 -13.309 22.516 6.231 1.00 28.56 C ATOM 1515 O LYS A 184 -14.245 22.363 5.442 1.00 28.65 O ATOM 1516 CB LYS A 184 -13.155 24.346 7.963 1.00 27.62 C ATOM 1517 CG LYS A 184 -13.896 25.401 7.162 1.00 30.80 C ATOM 1518 CD LYS A 184 -13.432 26.790 7.555 1.00 32.21 C ATOM 1519 CE LYS A 184 -13.616 27.784 6.424 1.00 34.84 C ATOM 1520 NZ LYS A 184 -13.560 29.191 6.913 1.00 37.15 N ATOM 1521 HZ1 LYS A 184 -14.316 29.344 7.611 1.00 0.00 H ATOM 1522 HZ2 LYS A 184 -12.636 29.366 7.357 1.00 0.00 H ATOM 1523 HZ3 LYS A 184 -13.690 29.841 6.111 1.00 0.00 H ATOM 1524 H LYS A 184 -12.244 22.442 9.327 1.00 0.00 H ATOM 1525 N GLU A 185 -12.028 22.325 5.905 1.00 29.17 N ATOM 1526 CA GLU A 185 -11.610 21.866 4.573 1.00 32.55 C ATOM 1527 C GLU A 185 -12.253 20.534 4.181 1.00 29.47 C ATOM 1528 O GLU A 185 -12.742 20.390 3.052 1.00 30.47 O ATOM 1529 CB GLU A 185 -10.084 21.713 4.483 1.00 36.08 C ATOM 1530 CG GLU A 185 -9.291 23.018 4.448 1.00 43.94 C ATOM 1531 CD GLU A 185 -8.144 23.014 3.437 1.00 50.26 C ATOM 1532 OE1 GLU A 185 -7.762 24.114 2.973 1.00 58.52 O ATOM 1533 OE2 GLU A 185 -7.623 21.923 3.096 1.00 56.89 O ATOM 1534 H GLU A 185 -11.297 22.508 6.622 1.00 0.00 H ATOM 1535 N ARG A 186 -12.263 19.563 5.094 1.00 26.70 N ATOM 1536 CA ARG A 186 -12.810 18.235 4.786 1.00 28.79 C ATOM 1537 C ARG A 186 -14.331 18.187 4.630 1.00 29.90 C ATOM 1538 O ARG A 186 -14.852 17.314 3.948 1.00 31.61 O ATOM 1539 CB ARG A 186 -12.334 17.195 5.804 1.00 27.55 C ATOM 1540 CG ARG A 186 -10.874 16.821 5.598 1.00 27.00 C ATOM 1541 CD ARG A 186 -10.720 15.877 4.402 1.00 27.65 C ATOM 1542 NE ARG A 186 -11.150 14.531 4.752 1.00 28.43 N ATOM 1543 CZ ARG A 186 -10.386 13.608 5.341 1.00 28.03 C ATOM 1544 NH1 ARG A 186 -10.908 12.413 5.626 1.00 29.19 N ATOM 1545 NH2 ARG A 186 -9.108 13.843 5.626 1.00 29.12 N ATOM 1546 HE ARG A 186 -12.130 14.267 4.525 1.00 0.00 H ATOM 1547 HH12 ARG A 186 -10.323 11.686 6.085 1.00 0.00 H ATOM 1548 HH11 ARG A 186 -11.900 12.209 5.389 1.00 0.00 H ATOM 1549 HH22 ARG A 186 -8.534 13.107 6.085 1.00 0.00 H ATOM 1550 HH21 ARG A 186 -8.683 14.762 5.390 1.00 0.00 H ATOM 1551 H ARG A 186 -11.877 19.749 6.041 1.00 0.00 H ATOM 1552 N LEU A 187 -15.026 19.114 5.271 1.00 28.20 N ATOM 1553 CA LEU A 187 -16.460 19.307 5.028 1.00 29.95 C ATOM 1554 C LEU A 187 -16.762 20.130 3.764 1.00 31.45 C ATOM 1555 O LEU A 187 -17.916 20.191 3.336 1.00 35.06 O ATOM 1556 CB LEU A 187 -17.102 19.958 6.257 1.00 29.54 C ATOM 1557 CG LEU A 187 -17.042 19.164 7.571 1.00 30.27 C ATOM 1558 CD1 LEU A 187 -17.613 19.998 8.708 1.00 32.31 C ATOM 1559 CD2 LEU A 187 -17.747 17.820 7.508 1.00 32.64 C ATOM 1560 H LEU A 187 -14.543 19.721 5.964 1.00 0.00 H ATOM 1561 N GLY A 188 -15.763 20.792 3.187 1.00 33.21 N ATOM 1562 CA GLY A 188 -15.960 21.607 1.975 1.00 34.89 C ATOM 1563 C GLY A 188 -16.527 23.002 2.199 1.00 36.35 C ATOM 1564 O GLY A 188 -16.974 23.654 1.255 1.00 35.73 O ATOM 1565 H GLY A 188 -14.812 20.733 3.605 1.00 0.00 H ATOM 1566 N LEU A 189 -16.504 23.487 3.438 1.00 36.47 N ATOM 1567 CA LEU A 189 -16.961 24.845 3.722 1.00 39.33 C ATOM 1568 C LEU A 189 -15.993 25.867 3.099 1.00 42.70 C ATOM 1569 O LEU A 189 -14.777 25.731 3.237 1.00 45.57 O ATOM 1570 CB LEU A 189 -17.068 25.060 5.229 1.00 40.15 C ATOM 1571 CG LEU A 189 -18.105 24.195 5.949 1.00 40.33 C ATOM 1572 CD1 LEU A 189 -17.908 24.357 7.447 1.00 41.02 C ATOM 1573 CD2 LEU A 189 -19.531 24.562 5.541 1.00 41.57 C ATOM 1574 H LEU A 189 -16.156 22.890 4.215 1.00 0.00 H ATOM 1575 N PRO A 190 -16.524 26.879 2.389 1.00 46.59 N ATOM 1576 CA PRO A 190 -15.630 27.835 1.731 1.00 48.42 C ATOM 1577 C PRO A 190 -15.008 28.860 2.697 1.00 51.12 C ATOM 1578 O PRO A 190 -15.450 28.963 3.853 1.00 48.42 O ATOM 1579 CB PRO A 190 -16.535 28.508 0.694 1.00 48.96 C ATOM 1580 CG PRO A 190 -17.913 28.372 1.230 1.00 48.56 C ATOM 1581 CD PRO A 190 -17.941 27.119 2.058 1.00 46.96 C ATOM 1582 N PRO A 191 -13.986 29.616 2.227 1.00 52.30 N ATOM 1583 CA PRO A 191 -13.282 30.625 3.048 1.00 52.01 C ATOM 1584 C PRO A 191 -14.200 31.618 3.764 1.00 50.74 C ATOM 1585 O PRO A 191 -13.933 31.992 4.901 1.00 51.68 O ATOM 1586 CB PRO A 191 -12.421 31.369 2.022 1.00 52.30 C ATOM 1587 CG PRO A 191 -12.182 30.377 0.942 1.00 52.81 C ATOM 1588 CD PRO A 191 -13.435 29.561 0.855 1.00 53.08 C ATOM 1589 N LYS A 192 -15.269 32.016 3.081 1.00 50.83 N ATOM 1590 CA LYS A 192 -16.282 32.928 3.615 1.00 53.59 C ATOM 1591 C LYS A 192 -16.896 32.416 4.922 1.00 52.18 C ATOM 1592 O LYS A 192 -17.076 33.188 5.857 1.00 52.65 O ATOM 1593 CB LYS A 192 -17.421 33.160 2.598 1.00 57.02 C ATOM 1594 CG LYS A 192 -16.993 33.584 1.191 1.00 59.19 C ATOM 1595 CD LYS A 192 -17.137 32.458 0.166 1.00 60.36 C ATOM 1596 CE LYS A 192 -16.560 32.832 -1.192 1.00 61.55 C ATOM 1597 NZ LYS A 192 -15.930 31.664 -1.871 1.00 61.04 N ATOM 1598 HZ1 LYS A 192 -15.158 31.296 -1.279 1.00 0.00 H ATOM 1599 HZ2 LYS A 192 -16.644 30.921 -2.014 1.00 0.00 H ATOM 1600 HZ3 LYS A 192 -15.550 31.963 -2.792 1.00 0.00 H ATOM 1601 H LYS A 192 -15.393 31.659 2.112 1.00 0.00 H ATOM 1602 N ILE A 193 -17.209 31.117 4.963 1.00 49.66 N ATOM 1603 CA ILE A 193 -17.973 30.510 6.060 1.00 47.30 C ATOM 1604 C ILE A 193 -17.060 30.255 7.255 1.00 43.37 C ATOM 1605 O ILE A 193 -16.123 29.462 7.168 1.00 45.01 O ATOM 1606 CB ILE A 193 -18.645 29.182 5.621 1.00 48.08 C ATOM 1607 CG1 ILE A 193 -19.644 29.429 4.480 1.00 49.02 C ATOM 1608 CG2 ILE A 193 -19.337 28.486 6.794 1.00 47.13 C ATOM 1609 CD1 ILE A 193 -20.855 30.271 4.838 1.00 49.89 C ATOM 1610 H ILE A 193 -16.896 30.507 4.181 1.00 0.00 H ATOM 1611 N VAL A 194 -17.364 30.915 8.370 1.00 38.56 N ATOM 1612 CA VAL A 194 -16.533 30.862 9.565 1.00 36.41 C ATOM 1613 C VAL A 194 -17.206 29.921 10.563 1.00 33.05 C ATOM 1614 O VAL A 194 -18.414 29.977 10.738 1.00 34.19 O ATOM 1615 CB VAL A 194 -16.318 32.300 10.116 1.00 38.64 C ATOM 1616 CG1 VAL A 194 -16.012 32.321 11.601 1.00 39.24 C ATOM 1617 CG2 VAL A 194 -15.205 32.994 9.331 1.00 40.31 C ATOM 1618 H VAL A 194 -18.229 31.492 8.389 1.00 0.00 H ATOM 1619 N ILE A 195 -16.418 29.051 11.201 1.00 28.26 N ATOM 1620 CA ILE A 195 -16.926 28.184 12.272 1.00 26.46 C ATOM 1621 C ILE A 195 -16.205 28.541 13.555 1.00 24.93 C ATOM 1622 O ILE A 195 -15.128 29.133 13.523 1.00 24.96 O ATOM 1623 CB ILE A 195 -16.794 26.676 11.946 1.00 26.13 C ATOM 1624 CG1 ILE A 195 -15.326 26.246 11.801 1.00 25.81 C ATOM 1625 CG2 ILE A 195 -17.587 26.355 10.681 1.00 26.45 C ATOM 1626 CD1 ILE A 195 -15.104 24.740 11.793 1.00 27.54 C ATOM 1627 H ILE A 195 -15.416 28.986 10.931 1.00 0.00 H ATOM 1628 N GLY A 196 -16.813 28.163 14.674 1.00 24.08 N ATOM 1629 CA GLY A 196 -16.357 28.572 15.986 1.00 24.79 C ATOM 1630 C GLY A 196 -16.111 27.423 16.955 1.00 22.60 C ATOM 1631 O GLY A 196 -16.735 26.365 16.873 1.00 20.84 O ATOM 1632 H GLY A 196 -17.650 27.549 14.605 1.00 0.00 H ATOM 1633 N TYR A 197 -15.191 27.665 17.879 1.00 22.31 N ATOM 1634 CA TYR A 197 -14.826 26.733 18.924 1.00 22.43 C ATOM 1635 C TYR A 197 -15.219 27.356 20.260 1.00 23.81 C ATOM 1636 O TYR A 197 -14.874 28.508 20.538 1.00 23.99 O ATOM 1637 CB TYR A 197 -13.328 26.516 18.889 1.00 21.52 C ATOM 1638 CG TYR A 197 -12.795 25.504 19.864 1.00 20.71 C ATOM 1639 CD1 TYR A 197 -12.416 25.882 21.146 1.00 22.25 C ATOM 1640 CD2 TYR A 197 -12.638 24.171 19.491 1.00 20.23 C ATOM 1641 CE1 TYR A 197 -11.896 24.965 22.032 1.00 21.59 C ATOM 1642 CE2 TYR A 197 -12.119 23.235 20.377 1.00 20.38 C ATOM 1643 CZ TYR A 197 -11.754 23.647 21.650 1.00 21.30 C ATOM 1644 OH TYR A 197 -11.220 22.751 22.538 1.00 23.82 O ATOM 1645 HH TYR A 197 -10.386 22.373 22.162 1.00 0.00 H ATOM 1646 H TYR A 197 -14.701 28.582 17.851 1.00 0.00 H ATOM 1647 N GLN A 198 -15.939 26.588 21.061 1.00 25.82 N ATOM 1648 CA GLN A 198 -16.316 27.013 22.404 1.00 29.06 C ATOM 1649 C GLN A 198 -15.908 25.971 23.431 1.00 27.11 C ATOM 1650 O GLN A 198 -15.961 24.759 23.165 1.00 24.43 O ATOM 1651 CB GLN A 198 -17.820 27.273 22.467 1.00 34.24 C ATOM 1652 CG GLN A 198 -18.696 26.062 22.215 1.00 38.01 C ATOM 1653 CD GLN A 198 -19.388 26.048 20.873 1.00 41.77 C ATOM 1654 OE1 GLN A 198 -18.816 26.404 19.822 1.00 48.90 O ATOM 1655 NE2 GLN A 198 -20.629 25.620 20.893 1.00 41.28 N ATOM 1656 HE22 GLN A 198 -21.066 25.333 21.792 1.00 0.00 H ATOM 1657 HE21 GLN A 198 -21.175 25.568 20.010 1.00 0.00 H ATOM 1658 H GLN A 198 -16.245 25.653 20.723 1.00 0.00 H ATOM 1659 N SER A 199 -15.499 26.441 24.606 1.00 25.66 N ATOM 1660 CA SER A 199 -15.119 25.543 25.682 1.00 26.30 C ATOM 1661 C SER A 199 -16.378 24.878 26.246 1.00 24.51 C ATOM 1662 O SER A 199 -17.466 25.467 26.253 1.00 24.66 O ATOM 1663 CB SER A 199 -14.330 26.272 26.795 1.00 28.51 C ATOM 1664 OG SER A 199 -15.163 26.889 27.731 1.00 32.12 O ATOM 1665 HG SER A 199 -15.732 27.558 27.274 1.00 0.00 H ATOM 1666 H SER A 199 -15.451 27.469 24.757 1.00 0.00 H ATOM 1667 N HIS A 200 -16.236 23.635 26.684 1.00 22.56 N ATOM 1668 CA HIS A 200 -17.331 22.918 27.315 1.00 22.76 C ATOM 1669 C HIS A 200 -17.774 23.607 28.612 1.00 24.16 C ATOM 1670 O HIS A 200 -18.982 23.655 28.910 1.00 23.80 O ATOM 1671 CB HIS A 200 -16.960 21.487 27.612 1.00 23.14 C ATOM 1672 CG HIS A 200 -16.628 20.686 26.400 1.00 21.63 C ATOM 1673 ND1 HIS A 200 -17.421 20.678 25.272 1.00 21.16 N ATOM 1674 CD2 HIS A 200 -15.586 19.868 26.137 1.00 21.98 C ATOM 1675 CE1 HIS A 200 -16.877 19.867 24.376 1.00 22.16 C ATOM 1676 NE2 HIS A 200 -15.772 19.356 24.884 1.00 21.44 N ATOM 1677 H HIS A 200 -15.317 23.161 26.573 1.00 0.00 H ATOM 1678 N ALA A 201 -16.797 24.115 29.364 1.00 25.44 N ATOM 1679 CA ALA A 201 -17.092 24.864 30.597 1.00 26.79 C ATOM 1680 C ALA A 201 -18.045 26.032 30.327 1.00 29.47 C ATOM 1681 O ALA A 201 -19.010 26.229 31.074 1.00 29.27 O ATOM 1682 CB ALA A 201 -15.814 25.342 31.251 1.00 26.85 C ATOM 1683 H ALA A 201 -15.807 23.980 29.074 1.00 0.00 H ATOM 1684 N ASP A 202 -17.809 26.769 29.237 1.00 30.78 N ATOM 1685 CA ASP A 202 -18.695 27.886 28.837 1.00 31.74 C ATOM 1686 C ASP A 202 -20.075 27.410 28.390 1.00 31.45 C ATOM 1687 O ASP A 202 -21.079 27.982 28.804 1.00 31.53 O ATOM 1688 CB ASP A 202 -18.065 28.739 27.727 1.00 33.28 C ATOM 1689 CG ASP A 202 -16.850 29.519 28.186 1.00 35.21 C ATOM 1690 OD1 ASP A 202 -16.652 29.704 29.408 1.00 39.03 O ATOM 1691 OD2 ASP A 202 -16.082 29.959 27.311 1.00 38.75 O ATOM 1692 H ASP A 202 -16.977 26.551 28.652 1.00 0.00 H ATOM 1693 N THR A 203 -20.131 26.359 27.566 1.00 29.19 N ATOM 1694 CA THR A 203 -21.407 25.760 27.165 1.00 29.38 C ATOM 1695 C THR A 203 -22.241 25.302 28.364 1.00 31.68 C ATOM 1696 O THR A 203 -23.464 25.490 28.392 1.00 31.71 O ATOM 1697 CB THR A 203 -21.203 24.544 26.243 1.00 30.92 C ATOM 1698 OG1 THR A 203 -20.430 24.936 25.103 1.00 32.63 O ATOM 1699 CG2 THR A 203 -22.522 23.954 25.791 1.00 31.90 C ATOM 1700 HG1 THR A 203 -19.550 25.275 25.403 1.00 0.00 H ATOM 1701 H THR A 203 -19.245 25.955 27.200 1.00 0.00 H ATOM 1702 N ALA A 204 -21.580 24.706 29.350 1.00 31.03 N ATOM 1703 CA ALA A 204 -22.292 24.088 30.459 1.00 32.51 C ATOM 1704 C ALA A 204 -22.755 25.111 31.498 1.00 36.56 C ATOM 1705 O ALA A 204 -23.719 24.846 32.206 1.00 38.12 O ATOM 1706 CB ALA A 204 -21.440 23.018 31.117 1.00 32.48 C ATOM 1707 H ALA A 204 -20.541 24.681 29.329 1.00 0.00 H ATOM 1708 N THR A 205 -22.065 26.250 31.597 1.00 40.89 N ATOM 1709 CA THR A 205 -22.506 27.362 32.456 1.00 47.27 C ATOM 1710 C THR A 205 -23.776 28.020 31.893 1.00 50.74 C ATOM 1711 O THR A 205 -23.711 28.975 31.109 1.00 58.21 O ATOM 1712 CB THR A 205 -21.428 28.457 32.599 1.00 48.30 C ATOM 1713 OG1 THR A 205 -20.177 27.872 32.971 1.00 45.03 O ATOM 1714 CG2 THR A 205 -21.858 29.513 33.651 1.00 47.39 C ATOM 1715 HG1 THR A 205 -19.895 27.228 32.274 1.00 0.00 H ATOM 1716 H THR A 205 -21.187 26.355 31.049 1.00 0.00 H TER 1717 THR A 205 ATOM 1718 N THR A 211 -23.267 31.867 24.438 1.00 60.88 N ATOM 1719 CA THR A 211 -21.913 31.305 24.409 1.00 61.36 C ATOM 1720 C THR A 211 -21.098 31.901 23.253 1.00 59.12 C ATOM 1721 O THR A 211 -21.554 31.903 22.108 1.00 61.75 O ATOM 1722 CB THR A 211 -21.943 29.764 24.263 1.00 62.96 C ATOM 1723 OG1 THR A 211 -22.952 29.213 25.121 1.00 65.88 O ATOM 1724 CG2 THR A 211 -20.584 29.143 24.616 1.00 62.23 C ATOM 1725 HG1 THR A 211 -22.965 28.228 25.022 1.00 0.00 H ATOM 1726 HN3 THR A 211 -23.749 31.652 23.542 1.00 0.00 H ATOM 1727 HN2 THR A 211 -23.211 32.898 24.564 1.00 0.00 H ATOM 1728 HN1 THR A 211 -23.798 31.448 25.228 1.00 0.00 H ATOM 1729 N LYS A 212 -19.897 32.390 23.561 1.00 56.09 N ATOM 1730 CA LYS A 212 -19.012 33.005 22.565 1.00 53.55 C ATOM 1731 C LYS A 212 -17.952 32.029 22.062 1.00 47.79 C ATOM 1732 O LYS A 212 -17.728 30.975 22.666 1.00 45.08 O ATOM 1733 CB LYS A 212 -18.333 34.245 23.150 1.00 57.79 C ATOM 1734 CG LYS A 212 -19.242 35.462 23.242 1.00 60.65 C ATOM 1735 CD LYS A 212 -18.597 36.589 24.037 1.00 62.17 C ATOM 1736 CE LYS A 212 -17.359 37.154 23.350 1.00 64.40 C ATOM 1737 NZ LYS A 212 -16.762 38.290 24.108 1.00 67.05 N ATOM 1738 HZ1 LYS A 212 -17.462 39.055 24.193 1.00 0.00 H ATOM 1739 HZ2 LYS A 212 -16.485 37.965 25.056 1.00 0.00 H ATOM 1740 HZ3 LYS A 212 -15.924 38.640 23.602 1.00 0.00 H ATOM 1741 H LYS A 212 -19.574 32.333 24.548 1.00 0.00 H ATOM 1742 N ASN A 213 -17.309 32.407 20.955 1.00 42.62 N ATOM 1743 CA ASN A 213 -16.271 31.603 20.319 1.00 38.31 C ATOM 1744 C ASN A 213 -14.882 32.009 20.804 1.00 37.68 C ATOM 1745 O ASN A 213 -14.466 33.170 20.639 1.00 35.69 O ATOM 1746 CB ASN A 213 -16.348 31.732 18.797 1.00 36.42 C ATOM 1747 CG ASN A 213 -17.623 31.148 18.230 1.00 34.80 C ATOM 1748 OD1 ASN A 213 -18.114 30.120 18.702 1.00 33.39 O ATOM 1749 ND2 ASN A 213 -18.159 31.791 17.201 1.00 36.50 N ATOM 1750 HD22 ASN A 213 -17.709 32.655 16.836 1.00 0.00 H ATOM 1751 HD21 ASN A 213 -19.029 31.431 16.759 1.00 0.00 H ATOM 1752 H ASN A 213 -17.560 33.320 20.525 1.00 0.00 H ATOM 1753 N ARG A 214 -14.177 31.046 21.404 1.00 37.03 N ATOM 1754 CA ARG A 214 -12.776 31.202 21.789 1.00 36.49 C ATOM 1755 C ARG A 214 -11.921 31.398 20.560 1.00 34.05 C ATOM 1756 O ARG A 214 -10.985 32.195 20.576 1.00 33.50 O ATOM 1757 CB ARG A 214 -12.243 29.954 22.507 1.00 39.53 C ATOM 1758 CG ARG A 214 -12.888 29.609 23.836 1.00 43.68 C ATOM 1759 CD ARG A 214 -12.502 30.582 24.937 1.00 46.59 C ATOM 1760 NE ARG A 214 -12.933 30.085 26.248 1.00 47.98 N ATOM 1761 CZ ARG A 214 -12.166 29.469 27.154 1.00 49.80 C ATOM 1762 NH1 ARG A 214 -10.861 29.250 26.955 1.00 50.41 N ATOM 1763 NH2 ARG A 214 -12.721 29.068 28.298 1.00 53.47 N ATOM 1764 HE ARG A 214 -13.933 30.225 26.497 1.00 0.00 H ATOM 1765 HH12 ARG A 214 -10.298 28.767 27.684 1.00 0.00 H ATOM 1766 HH11 ARG A 214 -10.410 29.562 26.071 1.00 0.00 H ATOM 1767 HH22 ARG A 214 -12.143 28.587 29.016 1.00 0.00 H ATOM 1768 HH21 ARG A 214 -13.732 29.236 28.472 1.00 0.00 H ATOM 1769 H ARG A 214 -14.648 30.141 21.607 1.00 0.00 H ATOM 1770 N PHE A 215 -12.209 30.622 19.510 1.00 30.10 N ATOM 1771 CA PHE A 215 -11.480 30.697 18.251 1.00 29.11 C ATOM 1772 C PHE A 215 -12.483 30.604 17.128 1.00 25.26 C ATOM 1773 O PHE A 215 -13.570 30.062 17.303 1.00 24.42 O ATOM 1774 CB PHE A 215 -10.486 29.527 18.090 1.00 28.39 C ATOM 1775 CG PHE A 215 -9.560 29.360 19.245 1.00 30.00 C ATOM 1776 CD1 PHE A 215 -8.528 30.266 19.461 1.00 30.82 C ATOM 1777 CD2 PHE A 215 -9.740 28.329 20.153 1.00 28.33 C ATOM 1778 CE1 PHE A 215 -7.683 30.116 20.555 1.00 32.17 C ATOM 1779 CE2 PHE A 215 -8.896 28.173 21.237 1.00 30.98 C ATOM 1780 CZ PHE A 215 -7.868 29.073 21.443 1.00 30.96 C ATOM 1781 H PHE A 215 -12.986 29.936 19.596 1.00 0.00 H ATOM 1782 N VAL A 216 -12.091 31.133 15.983 1.00 26.17 N ATOM 1783 CA VAL A 216 -12.799 30.927 14.743 1.00 25.96 C ATOM 1784 C VAL A 216 -11.797 30.633 13.637 1.00 27.87 C ATOM 1785 O VAL A 216 -10.665 31.097 13.676 1.00 29.96 O ATOM 1786 CB VAL A 216 -13.683 32.141 14.348 1.00 27.17 C ATOM 1787 CG1 VAL A 216 -14.765 32.369 15.389 1.00 27.54 C ATOM 1788 CG2 VAL A 216 -12.860 33.398 14.107 1.00 27.11 C ATOM 1789 H VAL A 216 -11.235 31.724 15.975 1.00 0.00 H ATOM 1790 N VAL A 217 -12.240 29.866 12.652 1.00 28.10 N ATOM 1791 CA VAL A 217 -11.473 29.601 11.440 1.00 32.05 C ATOM 1792 C VAL A 217 -12.431 29.616 10.263 1.00 31.08 C ATOM 1793 O VAL A 217 -13.632 29.418 10.445 1.00 27.77 O ATOM 1794 CB VAL A 217 -10.727 28.241 11.496 1.00 32.57 C ATOM 1795 CG1 VAL A 217 -9.725 28.208 12.648 1.00 33.54 C ATOM 1796 CG2 VAL A 217 -11.698 27.060 11.580 1.00 33.90 C ATOM 1797 OXT VAL A 217 -12.035 29.835 9.113 1.00 34.10 O ATOM 1798 H VAL A 217 -13.180 29.432 12.747 1.00 0.00 H TER 1799 VAL A 217 HETATM 1800 O HOH 1 -13.473 12.705 5.677 1.00 29.42 O HETATM 1801 O HOH 2 -4.222 10.302 18.740 1.00 44.62 O HETATM 1802 O HOH 3 -16.959 -2.478 16.524 1.00 42.22 O HETATM 1803 O HOH 4 -6.005 13.027 13.770 1.00 26.22 O HETATM 1804 O HOH 5 -23.383 8.736 8.197 1.00 32.90 O HETATM 1805 O HOH 6 -28.320 12.287 5.195 1.00 36.07 O HETATM 1806 O HOH 7 -5.520 19.655 29.493 1.00 39.99 O HETATM 1807 O HOH 8 -1.455 10.370 13.818 1.00 36.20 O HETATM 1808 O HOH 9 -10.698 9.631 29.891 1.00 31.02 O HETATM 1809 O HOH 10 -27.711 8.590 3.755 1.00 34.01 O HETATM 1810 O HOH 11 -7.203 20.773 22.347 1.00 22.70 O HETATM 1811 O HOH 12 -1.956 17.000 19.776 1.00 31.85 O HETATM 1812 O HOH 13 -7.556 5.425 23.844 1.00 37.13 O HETATM 1813 O HOH 14 -34.244 11.872 11.791 1.00 44.81 O HETATM 1814 O HOH 15 -9.588 -16.063 8.719 1.00 30.03 O HETATM 1815 O HOH 16 -31.432 14.968 23.710 1.00 33.48 O HETATM 1816 O HOH 17 -11.522 -3.997 15.966 1.00 27.87 O HETATM 1817 O HOH 18 -4.597 -0.502 16.422 1.00 46.71 O HETATM 1818 O HOH 19 -31.196 21.965 19.757 1.00 32.35 O HETATM 1819 O HOH 20 -26.434 25.365 17.175 1.00 40.34 O HETATM 1820 O HOH 21 -27.149 14.895 24.302 1.00 44.92 O HETATM 1821 O HOH 22 -5.273 15.932 6.681 1.00 34.21 O HETATM 1822 O HOH 23 -2.234 16.858 23.290 1.00 49.88 O HETATM 1823 O HOH 24 -15.015 6.185 24.225 1.00 21.04 O HETATM 1824 O HOH 25 -30.082 22.571 17.345 1.00 27.39 O HETATM 1825 O HOH 26 -24.951 19.748 21.259 1.00 25.88 O HETATM 1826 O HOH 27 -9.956 25.387 6.366 1.00 35.80 O HETATM 1827 O HOH 28 -19.470 27.894 17.743 1.00 39.81 O HETATM 1828 O HOH 29 -15.586 -4.695 6.946 1.00 29.16 O HETATM 1829 O HOH 30 -25.276 22.727 22.638 1.00 38.58 O HETATM 1830 O HOH 31 -16.904 23.779 -1.395 1.00 52.18 O HETATM 1831 O HOH 32 -37.559 11.726 19.926 1.00 43.66 O HETATM 1832 O HOH 33 -10.662 -1.693 24.598 1.00 40.32 O HETATM 1833 O HOH 34 -14.692 -4.324 16.632 1.00 41.77 O HETATM 1834 O HOH 35 -13.712 15.102 2.987 1.00 40.72 O HETATM 1835 O HOH 36 -17.080 -4.031 14.031 1.00 26.37 O HETATM 1836 O HOH 37 -24.786 3.609 9.356 1.00 25.44 O HETATM 1837 O HOH 38 -18.792 32.355 25.999 1.00 61.07 O HETATM 1838 O HOH 39 -29.690 16.082 25.246 1.00 44.73 O HETATM 1839 O HOH 40 -1.151 2.899 17.357 1.00 39.65 O HETATM 1840 O HOH 41 -7.059 13.565 23.714 1.00 35.20 O HETATM 1841 O HOH 42 -4.807 10.414 22.214 1.00 41.71 O HETATM 1842 O HOH 43 -2.034 25.605 14.138 1.00 49.59 O HETATM 1843 O HOH 44 -25.427 25.547 34.164 1.00 52.55 O HETATM 1844 O HOH 45 -25.222 22.608 32.348 1.00 46.07 O HETATM 1845 O HOH 46 -2.534 16.257 5.681 1.00 44.20 O HETATM 1846 O HOH 47 -26.156 22.576 26.311 1.00 38.21 O HETATM 1847 O HOH 48 -7.369 5.961 14.570 1.00 18.14 O HETATM 1848 O HOH 49 -12.473 22.144 0.998 1.00 51.36 O HETATM 1849 O HOH 50 -15.349 15.884 36.088 1.00 33.11 O HETATM 1850 O HOH 51 -19.576 27.394 14.839 1.00 28.33 O HETATM 1851 O HOH 52 -24.544 21.162 24.699 1.00 30.98 O HETATM 1852 O HOH 53 -23.261 6.209 4.374 1.00 31.79 O HETATM 1853 O HOH 54 -24.466 11.817 23.511 1.00 26.87 O HETATM 1854 O HOH 55 -13.535 17.682 24.522 1.00 19.05 O HETATM 1855 O HOH 56 -20.121 1.781 3.254 1.00 42.90 O HETATM 1856 O HOH 57 -13.784 23.305 29.094 1.00 26.58 O HETATM 1857 O HOH 58 -6.240 17.076 28.643 1.00 40.71 O HETATM 1858 O HOH 59 -22.528 17.953 18.096 1.00 17.40 O HETATM 1859 O HOH 60 -8.244 11.763 14.828 1.00 29.07 O HETATM 1860 O HOH 61 -9.424 10.245 6.464 1.00 34.81 O HETATM 1861 O HOH 62 -23.702 9.586 22.018 1.00 24.12 O HETATM 1862 O HOH 63 -25.220 -1.774 4.664 1.00 56.07 O HETATM 1863 O HOH 64 -0.458 14.206 18.041 1.00 36.30 O HETATM 1864 O HOH 65 -22.082 13.046 23.617 1.00 28.73 O HETATM 1865 O HOH 66 -37.578 20.510 12.594 1.00 53.81 O HETATM 1866 O HOH 67 -0.994 24.380 11.910 1.00 49.60 O HETATM 1867 O HOH 68 -24.994 8.203 10.175 1.00 22.48 O HETATM 1868 O HOH 69 -19.779 21.860 24.341 1.00 26.57 O HETATM 1869 O HOH 70 -29.482 -1.361 11.539 1.00 38.99 O HETATM 1870 O HOH 71 -7.554 16.166 5.291 1.00 45.32 O HETATM 1871 O HOH 72 -26.203 12.613 3.643 1.00 38.60 O HETATM 1872 O HOH 73 -1.093 20.307 21.445 1.00 32.02 O HETATM 1873 O HOH 74 -30.559 17.224 30.560 1.00 53.03 O HETATM 1874 O HOH 75 -30.775 3.662 8.753 1.00 32.19 O HETATM 1875 O HOH 76 -23.453 1.707 4.674 1.00 43.94 O HETATM 1876 O HOH 77 -9.413 24.765 29.989 1.00 51.77 O HETATM 1877 O HOH 78 -9.345 -6.017 3.765 1.00 40.12 O HETATM 1878 O HOH 79 -9.699 18.124 29.390 1.00 26.06 O HETATM 1879 O HOH 80 0.694 18.552 11.681 1.00 47.78 O HETATM 1880 O HOH 81 -26.659 12.970 34.108 1.00 53.05 O HETATM 1881 O HOH 82 -35.072 18.079 19.075 1.00 30.35 O HETATM 1882 O HOH 83 -31.794 21.380 25.600 1.00 55.26 O HETATM 1883 O HOH 84 -4.813 11.038 7.442 1.00 28.45 O HETATM 1884 O HOH 85 -21.218 18.334 20.606 1.00 22.28 O HETATM 1885 O HOH 86 -6.259 12.767 5.992 1.00 37.57 O HETATM 1886 O HOH 87 -23.395 1.026 27.781 1.00 46.58 O HETATM 1887 O HOH 88 -22.911 6.458 13.370 1.00 21.26 O HETATM 1888 O HOH 89 -6.882 11.179 17.046 1.00 28.30 O HETATM 1889 O HOH 90 -17.027 -3.852 21.227 1.00 36.52 O HETATM 1890 O HOH 91 -5.485 -2.776 15.625 1.00 39.39 O HETATM 1891 O HOH 92 -14.406 3.914 25.867 1.00 22.99 O HETATM 1892 O HOH 93 -33.038 19.786 11.838 1.00 48.69 O HETATM 1893 O HOH 94 -12.588 10.946 33.748 1.00 37.46 O HETATM 1894 O HOH 95 -24.627 5.619 11.265 1.00 22.06 O HETATM 1895 O HOH 96 -1.371 23.462 20.671 1.00 32.27 O HETATM 1896 O HOH 97 -7.598 -6.055 15.762 1.00 38.65 O HETATM 1897 O HOH 98 -33.516 6.896 17.349 1.00 35.71 O HETATM 1898 O HOH 99 -28.728 0.790 14.861 1.00 31.42 O HETATM 1899 O HOH 100 -20.222 31.821 8.677 1.00 43.08 O HETATM 1900 O HOH 101 -6.436 4.151 21.404 1.00 34.82 O HETATM 1901 O HOH 102 -9.497 20.073 35.215 1.00 47.08 O HETATM 1902 O HOH 103 -21.928 20.070 24.341 1.00 28.72 O HETATM 1903 O HOH 104 -34.111 20.989 19.056 1.00 31.18 O HETATM 1904 O HOH 105 -11.289 18.354 1.253 1.00 47.65 O HETATM 1905 O HOH 106 -9.883 33.242 16.427 1.00 40.41 O HETATM 1906 O HOH 107 -26.568 15.652 33.992 1.00 49.40 O HETATM 1907 O HOH 108 -15.683 1.992 28.169 1.00 52.03 O HETATM 1908 O HOH 109 -17.236 3.414 29.847 1.00 47.58 O HETATM 1909 O HOH 110 -31.046 16.134 27.324 1.00 45.87 O HETATM 1910 O HOH 111 -39.029 8.756 24.284 1.00 54.19 O HETATM 1911 O HOH 112 -27.814 26.780 23.183 1.00 48.36 O HETATM 1912 O HOH 113 -0.387 26.480 21.475 1.00 41.32 O HETATM 1913 O HOH 114 -34.940 16.850 21.201 1.00 42.02 O HETATM 1914 O HOH 115 -4.090 18.632 6.100 1.00 44.48 O HETATM 1915 O HOH 116 -22.896 17.777 22.711 1.00 30.92 O HETATM 1916 O HOH 117 -23.785 15.343 23.267 1.00 36.25 O HETATM 1917 O HOH 118 0.507 16.694 23.243 1.00 63.39 O HETATM 1918 O HOH 119 -25.123 2.731 6.477 1.00 38.84 O HETATM 1919 O HOH 120 -22.941 9.090 3.488 1.00 42.30 O HETATM 1920 O HOH 121 -17.613 -2.558 23.561 1.00 57.87 O HETATM 1921 O HOH 122 -12.222 25.223 30.089 1.00 37.65 O HETATM 1922 O HOH 123 -26.162 23.443 34.902 1.00 44.58 O HETATM 1923 O HOH 124 -5.214 -0.087 18.894 1.00 45.05 O HETATM 1924 O HOH 125 -6.495 11.195 24.707 1.00 52.40 O HETATM 1925 O HOH 126 -12.130 15.611 1.039 1.00 51.65 O HETATM 1926 O HOH 127 -16.628 -8.483 11.570 1.00 47.29 O HETATM 1927 O HOH 128 -29.321 25.151 17.164 1.00 46.68 O HETATM 1928 O HOH 129 -32.303 18.241 26.592 1.00 48.21 O HETATM 1929 O HOH 130 -25.435 9.452 2.516 1.00 45.69 O HETATM 1930 O HOH 131 -7.418 -4.183 1.013 1.00 62.58 O HETATM 1931 O HOH 132 -16.034 14.007 37.867 1.00 45.29 O HETATM 1932 O HOH 133 -25.107 29.120 14.352 1.00 37.48 O HETATM 1933 O HOH 134 -10.963 -7.513 18.517 1.00 52.86 O HETATM 1934 O HOH 135 -1.937 4.163 5.172 1.00 45.76 O HETATM 1935 O HOH 136 3.060 14.579 9.149 1.00 55.21 O HETATM 1936 O HOH 137 -2.331 7.781 4.072 1.00 44.10 O HETATM 1937 O HOH 138 -4.594 7.703 -0.762 1.00 39.58 O HETATM 1938 O HOH 139 -5.506 5.210 11.819 1.00 21.06 O HETATM 1939 O HOH 140 -7.245 1.370 0.961 1.00 32.45 O HETATM 1940 O HOH 141 -17.845 -0.679 3.330 1.00 46.70 O HETATM 1941 O HOH 142 -8.405 11.035 -0.140 1.00 28.68 O HETATM 1942 O HOH 143 0.653 5.815 8.049 1.00 42.21 O HETATM 1943 O HOH 144 -14.682 -1.020 -2.983 1.00 53.83 O HETATM 1944 O HOH 145 -15.675 -3.972 -1.524 1.00 47.85 O HETATM 1945 O HOH 146 -10.880 11.621 -1.363 1.00 40.75 O HETATM 1946 O HOH 147 -7.907 12.465 2.577 1.00 34.21 O HETATM 1947 O HOH 148 -3.531 10.128 5.194 1.00 36.06 O HETATM 1948 O HOH 149 -13.967 -3.781 4.963 1.00 34.18 O HETATM 1949 C ACE A 150 2.477 9.174 12.441 1.00 0.18 C HETATM 1950 O ACE A 150 3.301 9.207 13.333 1.00 -0.40 O HETATM 1951 CH3 ACE A 150 2.338 10.383 11.555 1.00 0.03 C HETATM 1952 H1 ACE A 150 1.557 10.198 10.803 1.00 0.05 H HETATM 1953 H2 ACE A 150 3.295 10.579 11.050 1.00 0.05 H HETATM 1954 H3 ACE A 150 2.060 11.255 12.165 1.00 0.05 H HETATM 1955 N ACE A 150 1.720 8.098 12.167 1.00 -0.27 N HETATM 1956 CA ACE A 150 1.947 6.772 12.756 1.00 0.13 C HETATM 1957 C ACE A 150 1.093 5.705 12.081 1.00 0.20 C HETATM 1958 O ACE A 150 1.646 4.801 11.510 1.00 -0.39 O HETATM 1959 N ACE A 150 -0.243 5.789 12.170 1.00 -0.26 N HETATM 1960 CA ACE A 150 -1.090 5.048 11.233 1.00 0.13 C HETATM 1961 C ACE A 150 -2.123 6.028 10.699 1.00 0.20 C HETATM 1962 O ACE A 150 -3.052 6.384 11.407 1.00 -0.39 O HETATM 1963 N ACE A 150 -1.907 6.505 9.485 1.00 -0.26 N HETATM 1964 CA ACE A 150 -2.805 7.463 8.850 1.00 0.13 C HETATM 1965 C ACE A 150 -3.429 6.824 7.625 1.00 0.20 C HETATM 1966 O ACE A 150 -2.800 6.000 6.949 1.00 -0.39 O HETATM 1967 N ACE A 150 -4.673 7.199 7.341 1.00 -0.26 N HETATM 1968 CA ACE A 150 -5.328 6.783 6.112 1.00 0.14 C HETATM 1969 C ACE A 150 -6.020 7.980 5.529 1.00 0.21 C HETATM 1970 O ACE A 150 -6.699 8.745 6.249 1.00 -0.39 O HETATM 1971 N ACE A 150 -5.879 8.135 4.220 1.00 -0.26 N HETATM 1972 CA ACE A 150 -6.681 9.102 3.508 1.00 0.15 C HETATM 1973 C ACE A 150 -8.126 8.650 3.414 1.00 0.21 C HETATM 1974 O ACE A 150 -8.470 7.478 3.576 1.00 -0.39 O HETATM 1975 N ACE A 150 -8.971 9.614 3.123 1.00 -0.26 N HETATM 1976 CA ACE A 150 -10.357 9.356 2.844 1.00 0.13 C HETATM 1977 C ACE A 150 -10.484 8.302 1.715 1.00 0.20 C HETATM 1978 O ACE A 150 -11.237 7.327 1.873 1.00 -0.39 O HETATM 1979 NAC ACE A 150 -9.721 8.440 0.583 1.00 -0.27 N HETATM 1980 CAQ ACE A 150 -9.901 7.405 -0.368 1.00 0.13 C HETATM 1981 CAG ACE A 150 -9.393 6.085 0.067 1.00 0.23 C HETATM 1982 OAE ACE A 150 -10.107 5.089 -0.221 1.00 -0.34 O HETATM 1983 N ACE A 150 -8.378 5.968 0.864 1.00 -0.26 N HETATM 1984 CA ACE A 150 -7.977 4.654 1.346 1.00 0.13 C HETATM 1985 C ACE A 150 -9.024 4.050 2.282 1.00 0.20 C HETATM 1986 O ACE A 150 -9.255 2.848 2.234 1.00 -0.39 O HETATM 1987 N ACE A 150 -9.630 4.873 3.141 1.00 -0.26 N HETATM 1988 CA ACE A 150 -10.687 4.324 4.014 1.00 0.13 C HETATM 1989 C ACE A 150 -11.907 3.836 3.234 1.00 0.20 C HETATM 1990 O ACE A 150 -12.445 2.753 3.501 1.00 -0.39 O HETATM 1991 N ACE A 150 -12.346 4.626 2.261 1.00 -0.26 N HETATM 1992 CA ACE A 150 -13.544 4.276 1.532 1.00 0.13 C HETATM 1993 C ACE A 150 -13.346 3.063 0.628 1.00 0.20 C HETATM 1994 O ACE A 150 -14.343 2.393 0.347 1.00 -0.39 O HETATM 1995 NAC ACE A 150 -12.106 2.796 0.140 1.00 -0.27 N HETATM 1996 CAQ ACE A 150 -12.131 1.634 -0.718 1.00 0.13 C HETATM 1997 CAG ACE A 150 -12.357 0.298 -0.069 1.00 0.23 C HETATM 1998 OAE ACE A 150 -12.572 -0.664 -0.827 1.00 -0.34 O HETATM 1999 N ACE A 150 -12.460 0.219 1.204 1.00 -0.26 N HETATM 2000 CA ACE A 150 -12.742 -1.044 1.910 1.00 0.14 C HETATM 2001 C ACE A 150 -14.203 -1.475 1.868 1.00 0.20 C HETATM 2002 O ACE A 150 -15.019 -1.016 2.662 1.00 -0.39 O HETATM 2003 N ACE A 150 -14.555 -2.447 0.894 1.00 -0.30 N HETATM 2004 H131 ACE A 150 -15.501 -2.765 0.824 1.00 0.18 H HETATM 2005 H132 ACE A 150 -13.857 -2.814 0.279 1.00 0.18 H HETATM 2006 CB ACE A 150 -12.295 -0.860 3.357 1.00 0.02 C HETATM 2007 CG ACE A 150 -10.835 -1.045 3.538 1.00 -0.04 C HETATM 2008 CD1 ACE A 150 -10.310 -2.293 3.852 1.00 -0.06 C HETATM 2009 CE1 ACE A 150 -8.945 -2.456 4.003 1.00 -0.07 C HETATM 2010 CZ ACE A 150 -8.091 -1.370 3.829 1.00 -0.07 C HETATM 2011 CE2 ACE A 150 -8.609 -0.126 3.518 1.00 -0.07 C HETATM 2012 CD2 ACE A 150 -9.972 0.022 3.371 1.00 -0.06 C HETATM 2013 H127 ACE A 150 -10.376 0.996 3.119 1.00 0.06 H HETATM 2014 H129 ACE A 150 -7.950 0.725 3.391 1.00 0.06 H HETATM 2015 H130 ACE A 150 -7.020 -1.500 3.937 1.00 0.06 H HETATM 2016 H128 ACE A 150 -8.540 -3.429 4.257 1.00 0.06 H HETATM 2017 H126 ACE A 150 -10.973 -3.141 3.979 1.00 0.06 H HETATM 2018 H124 ACE A 150 -12.822 -1.595 3.983 1.00 0.05 H HETATM 2019 H125 ACE A 150 -12.563 0.157 3.680 1.00 0.05 H HETATM 2020 H123 ACE A 150 -12.143 -1.841 1.445 1.00 0.08 H HETATM 2021 H122 ACE A 150 -12.344 1.052 1.745 1.00 0.19 H HETATM 2022 CAA ACE A 150 -10.578 1.569 -0.767 1.00 -0.03 C HETATM 2023 H111 ACE A 150 -10.187 2.489 -1.226 1.00 0.02 H HETATM 2024 H112 ACE A 150 -10.266 0.700 -1.365 1.00 0.02 H HETATM 2025 H113 ACE A 150 -10.183 1.472 0.255 1.00 0.02 H HETATM 2026 CAO ACE A 150 -12.367 1.688 -2.232 1.00 -0.02 C HETATM 2027 CAM ACE A 150 -12.030 3.010 -2.923 1.00 -0.04 C HETATM 2028 CAK ACE A 150 -13.203 3.556 -3.733 1.00 -0.04 C HETATM 2029 CAI ACE A 150 -12.709 4.567 -4.748 1.00 -0.10 C HETATM 2030 CAI ACE A 150 -12.421 5.855 -4.475 1.00 -0.10 C HETATM 2031 CAK ACE A 150 -12.501 6.547 -3.142 1.00 -0.04 C HETATM 2032 CAM ACE A 150 -11.075 6.754 -2.618 1.00 -0.04 C HETATM 2033 CAO ACE A 150 -11.082 7.543 -1.311 1.00 -0.02 C HETATM 2034 H74 ACE A 150 -11.161 8.607 -1.576 1.00 0.03 H HETATM 2035 H75 ACE A 150 -11.979 7.236 -0.753 1.00 0.03 H HETATM 2036 H76 ACE A 150 -10.610 5.773 -2.443 1.00 0.03 H HETATM 2037 H77 ACE A 150 -10.492 7.307 -3.369 1.00 0.03 H HETATM 2038 H78 ACE A 150 -12.999 7.521 -3.258 1.00 0.04 H HETATM 2039 H79 ACE A 150 -13.070 5.926 -2.435 1.00 0.04 H HETATM 2040 H80 ACE A 150 -12.093 6.464 -5.316 1.00 0.04 H HETATM 2041 H121 ACE A 150 -12.577 4.228 -5.774 1.00 0.04 H HETATM 2042 H119 ACE A 150 -13.919 4.042 -3.054 1.00 0.04 H HETATM 2043 H120 ACE A 150 -13.700 2.727 -4.258 1.00 0.04 H HETATM 2044 H117 ACE A 150 -11.178 2.848 -3.599 1.00 0.03 H HETATM 2045 H118 ACE A 150 -11.755 3.750 -2.157 1.00 0.03 H HETATM 2046 H115 ACE A 150 -13.431 1.477 -2.413 1.00 0.03 H HETATM 2047 H116 ACE A 150 -11.753 0.902 -2.695 1.00 0.03 H HETATM 2048 H114 ACE A 150 -11.287 3.331 0.347 1.00 0.18 H HETATM 2049 CB ACE A 150 -14.070 5.443 0.697 1.00 -0.01 C HETATM 2050 CG ACE A 150 -14.624 6.641 1.460 1.00 -0.04 C HETATM 2051 CD1 ACE A 150 -14.878 7.836 0.550 1.00 -0.06 C HETATM 2052 H105 ACE A 150 -15.276 8.672 1.145 1.00 0.02 H HETATM 2053 H106 ACE A 150 -15.607 7.558 -0.225 1.00 0.02 H HETATM 2054 H107 ACE A 150 -13.935 8.141 0.074 1.00 0.02 H HETATM 2055 CD2 ACE A 150 -15.890 6.281 2.209 1.00 -0.06 C HETATM 2056 H108 ACE A 150 -15.696 5.418 2.863 1.00 0.02 H HETATM 2057 H109 ACE A 150 -16.682 6.026 1.489 1.00 0.02 H HETATM 2058 H110 ACE A 150 -16.212 7.138 2.819 1.00 0.02 H HETATM 2059 H104 ACE A 150 -13.867 6.939 2.200 1.00 0.03 H HETATM 2060 H102 ACE A 150 -14.875 5.056 0.055 1.00 0.03 H HETATM 2061 H103 ACE A 150 -13.242 5.803 0.069 1.00 0.03 H HETATM 2062 H101 ACE A 150 -14.313 4.019 2.275 1.00 0.08 H HETATM 2063 H100 ACE A 150 -11.848 5.463 2.033 1.00 0.19 H HETATM 2064 CB ACE A 150 -11.101 5.314 5.086 1.00 -0.01 C HETATM 2065 CG ACE A 150 -9.982 5.634 6.089 1.00 -0.04 C HETATM 2066 CD1 ACE A 150 -10.316 6.899 6.866 1.00 -0.06 C HETATM 2067 H94 ACE A 150 -9.507 7.115 7.579 1.00 0.02 H HETATM 2068 H95 ACE A 150 -11.259 6.755 7.414 1.00 0.02 H HETATM 2069 H96 ACE A 150 -10.423 7.741 6.167 1.00 0.02 H HETATM 2070 CD2 ACE A 150 -9.691 4.479 7.029 1.00 -0.06 C HETATM 2071 H97 ACE A 150 -9.453 3.580 6.442 1.00 0.02 H HETATM 2072 H98 ACE A 150 -10.574 4.285 7.656 1.00 0.02 H HETATM 2073 H99 ACE A 150 -8.835 4.735 7.670 1.00 0.02 H HETATM 2074 H93 ACE A 150 -9.066 5.826 5.512 1.00 0.03 H HETATM 2075 H91 ACE A 150 -11.954 4.893 5.638 1.00 0.03 H HETATM 2076 H92 ACE A 150 -11.408 6.250 4.596 1.00 0.03 H HETATM 2077 H90 ACE A 150 -10.258 3.449 4.524 1.00 0.08 H HETATM 2078 H89 ACE A 150 -9.374 5.838 3.192 1.00 0.19 H HETATM 2079 CB ACE A 150 -6.654 4.768 2.118 1.00 0.00 C HETATM 2080 CG ACE A 150 -5.449 5.040 1.248 1.00 0.04 C HETATM 2081 CD ACE A 150 -4.180 5.353 2.032 1.00 0.17 C HETATM 2082 OE1 ACE A 150 -4.190 6.070 3.030 1.00 -0.40 O HETATM 2083 NE2 ACE A 150 -3.061 4.835 1.545 1.00 -0.30 N HETATM 2084 H87 ACE A 150 -2.191 5.000 2.009 1.00 0.18 H HETATM 2085 H88 ACE A 150 -3.087 4.279 0.714 1.00 0.18 H HETATM 2086 H85 ACE A 150 -5.676 5.899 0.600 1.00 0.05 H HETATM 2087 H86 ACE A 150 -5.262 4.151 0.627 1.00 0.05 H HETATM 2088 H83 ACE A 150 -6.485 3.823 2.655 1.00 0.03 H HETATM 2089 H84 ACE A 150 -6.748 5.590 2.843 1.00 0.03 H HETATM 2090 H82 ACE A 150 -7.841 3.987 0.482 1.00 0.08 H HETATM 2091 H81 ACE A 150 -7.870 6.781 1.148 1.00 0.19 H HETATM 2092 CAA ACE A 150 -8.761 7.892 -1.321 1.00 -0.03 C HETATM 2093 H70 ACE A 150 -9.017 8.883 -1.722 1.00 0.02 H HETATM 2094 H71 ACE A 150 -8.647 7.179 -2.151 1.00 0.02 H HETATM 2095 H72 ACE A 150 -7.817 7.956 -0.760 1.00 0.02 H HETATM 2096 H73 ACE A 150 -9.092 9.205 0.441 1.00 0.18 H HETATM 2097 CB ACE A 150 -11.006 10.689 2.497 1.00 -0.01 C HETATM 2098 CG ACE A 150 -12.436 10.636 2.153 1.00 -0.02 C HETATM 2099 CD ACE A 150 -12.849 12.002 1.639 1.00 0.06 C HETATM 2100 NE ACE A 150 -14.241 11.914 1.305 1.00 -0.27 N HETATM 2101 CZ ACE A 150 -14.717 11.519 0.132 1.00 0.29 C HETATM 2102 NH1 ACE A 150 -16.028 11.450 -0.027 1.00 -0.28 N HETATM 2103 H66 ACE A 150 -16.422 11.146 -0.929 1.00 0.26 H HETATM 2104 H67 ACE A 150 -16.655 11.700 0.751 1.00 0.26 H HETATM 2105 NH2 ACE A 150 -13.900 11.191 -0.872 1.00 -0.28 N HETATM 2106 H68 ACE A 150 -12.879 11.246 -0.744 1.00 0.26 H HETATM 2107 H69 ACE A 150 -14.290 10.883 -1.774 1.00 0.26 H HETATM 2108 H65 ACE A 150 -14.922 12.178 2.031 1.00 0.26 H HETATM 2109 H63 ACE A 150 -12.261 12.265 0.747 1.00 0.07 H HETATM 2110 H64 ACE A 150 -12.694 12.763 2.418 1.00 0.07 H HETATM 2111 H61 ACE A 150 -13.025 10.380 3.046 1.00 0.03 H HETATM 2112 H62 ACE A 150 -12.604 9.878 1.374 1.00 0.03 H HETATM 2113 H59 ACE A 150 -10.468 11.112 1.636 1.00 0.03 H HETATM 2114 H60 ACE A 150 -10.892 11.355 3.365 1.00 0.03 H HETATM 2115 H58 ACE A 150 -10.841 8.953 3.746 1.00 0.08 H HETATM 2116 H57 ACE A 150 -8.639 10.557 3.095 1.00 0.19 H HETATM 2117 CB ACE A 150 -6.139 9.317 2.111 1.00 0.08 C HETATM 2118 OG ACE A 150 -6.290 8.142 1.342 1.00 -0.39 O HETATM 2119 H56 ACE A 150 -5.947 8.290 0.469 1.00 0.21 H HETATM 2120 H54 ACE A 150 -5.072 9.577 2.171 1.00 0.06 H HETATM 2121 H55 ACE A 150 -6.690 10.139 1.630 1.00 0.06 H HETATM 2122 H53 ACE A 150 -6.644 10.056 4.055 1.00 0.08 H HETATM 2123 H52 ACE A 150 -5.213 7.579 3.723 1.00 0.19 H HETATM 2124 CB ACE A 150 -6.380 5.705 6.365 1.00 0.02 C HETATM 2125 CG ACE A 150 -5.853 4.413 6.940 1.00 -0.05 C HETATM 2126 CD1 ACE A 150 -5.760 4.226 8.319 1.00 -0.07 C HETATM 2127 CE1 ACE A 150 -5.286 3.029 8.851 1.00 -0.04 C HETATM 2128 CZ ACE A 150 -4.922 1.995 8.011 1.00 0.08 C HETATM 2129 CE2 ACE A 150 -5.038 2.142 6.639 1.00 -0.04 C HETATM 2130 CD2 ACE A 150 -5.520 3.341 6.115 1.00 -0.07 C HETATM 2131 H48 ACE A 150 -5.638 3.441 5.042 1.00 0.05 H HETATM 2132 H50 ACE A 150 -4.756 1.331 5.977 1.00 0.05 H HETATM 2133 OH ACE A 150 -4.461 0.819 8.567 1.00 -0.34 O HETATM 2134 H51 ACE A 150 -4.449 0.901 9.513 1.00 0.25 H HETATM 2135 H49 ACE A 150 -5.203 2.909 9.925 1.00 0.05 H HETATM 2136 H47 ACE A 150 -6.061 5.025 8.987 1.00 0.05 H HETATM 2137 H45 ACE A 150 -6.869 5.476 5.407 1.00 0.05 H HETATM 2138 H46 ACE A 150 -7.122 6.112 7.068 1.00 0.05 H HETATM 2139 H44 ACE A 150 -4.575 6.400 5.408 1.00 0.08 H HETATM 2140 H43 ACE A 150 -5.168 7.780 7.987 1.00 0.19 H HETATM 2141 CB ACE A 150 -2.045 8.722 8.446 1.00 -0.01 C HETATM 2142 CG ACE A 150 -1.549 9.538 9.615 1.00 -0.02 C HETATM 2143 CD ACE A 150 -0.821 10.758 9.093 1.00 0.06 C HETATM 2144 NE ACE A 150 -0.306 11.599 10.168 1.00 -0.27 N HETATM 2145 CZ ACE A 150 0.466 12.672 9.990 1.00 0.29 C HETATM 2146 NH1 ACE A 150 0.830 13.060 8.766 1.00 -0.28 N HETATM 2147 H39 ACE A 150 1.427 13.891 8.645 1.00 0.26 H HETATM 2148 H40 ACE A 150 0.514 12.528 7.942 1.00 0.26 H HETATM 2149 NH2 ACE A 150 0.871 13.368 11.049 1.00 -0.28 N HETATM 2150 H41 ACE A 150 0.593 13.073 11.996 1.00 0.26 H HETATM 2151 H42 ACE A 150 1.462 14.202 10.922 1.00 0.26 H HETATM 2152 H38 ACE A 150 -0.557 11.346 11.134 1.00 0.26 H HETATM 2153 H36 ACE A 150 -1.518 11.351 8.483 1.00 0.07 H HETATM 2154 H37 ACE A 150 0.022 10.427 8.469 1.00 0.07 H HETATM 2155 H34 ACE A 150 -0.862 8.931 10.223 1.00 0.03 H HETATM 2156 H35 ACE A 150 -2.403 9.854 10.232 1.00 0.03 H HETATM 2157 H32 ACE A 150 -2.715 9.352 7.843 1.00 0.03 H HETATM 2158 H33 ACE A 150 -1.177 8.423 7.839 1.00 0.03 H HETATM 2159 H31 ACE A 150 -3.599 7.737 9.560 1.00 0.08 H HETATM 2160 H30 ACE A 150 -1.098 6.198 8.984 1.00 0.19 H HETATM 2161 CB ACE A 150 -1.770 3.852 11.897 1.00 -0.01 C HETATM 2162 CG ACE A 150 -0.841 2.664 12.113 1.00 -0.04 C HETATM 2163 CD ACE A 150 -1.501 1.551 12.913 1.00 -0.01 C HETATM 2164 CE ACE A 150 -1.155 1.631 14.394 1.00 -0.04 C HETATM 2165 NZ ACE A 150 -2.010 0.767 15.260 1.00 0.22 N HETATM 2166 H27 ACE A 150 -1.726 0.870 16.222 1.00 0.20 H HETATM 2167 H28 ACE A 150 -1.907 -0.196 14.980 1.00 0.20 H HETATM 2168 H29 ACE A 150 -2.974 1.044 15.163 1.00 0.20 H HETATM 2169 H25 ACE A 150 -1.272 2.675 14.722 1.00 0.08 H HETATM 2170 H26 ACE A 150 -0.107 1.322 14.523 1.00 0.08 H HETATM 2171 H23 ACE A 150 -1.160 0.582 12.521 1.00 0.03 H HETATM 2172 H24 ACE A 150 -2.592 1.630 12.798 1.00 0.03 H HETATM 2173 H21 ACE A 150 0.052 3.008 12.656 1.00 0.03 H HETATM 2174 H22 ACE A 150 -0.543 2.265 11.132 1.00 0.03 H HETATM 2175 H19 ACE A 150 -2.605 3.529 11.259 1.00 0.03 H HETATM 2176 H20 ACE A 150 -2.159 4.172 12.875 1.00 0.03 H HETATM 2177 H18 ACE A 150 -0.472 4.679 10.402 1.00 0.08 H HETATM 2178 H17 ACE A 150 -0.661 6.359 12.877 1.00 0.19 H HETATM 2179 CB ACE A 150 1.720 6.717 14.259 1.00 -0.01 C HETATM 2180 CG ACE A 150 1.892 5.343 14.914 1.00 -0.04 C HETATM 2181 CD ACE A 150 3.161 4.620 14.509 1.00 -0.01 C HETATM 2182 CE ACE A 150 4.439 5.344 14.923 1.00 -0.04 C HETATM 2183 NZ ACE A 150 5.547 4.969 14.012 1.00 0.22 N HETATM 2184 H14 ACE A 150 6.388 5.450 14.290 1.00 0.20 H HETATM 2185 H15 ACE A 150 5.308 5.229 13.068 1.00 0.20 H HETATM 2186 H16 ACE A 150 5.698 3.974 14.059 1.00 0.20 H HETATM 2187 H12 ACE A 150 4.702 5.061 15.953 1.00 0.08 H HETATM 2188 H13 ACE A 150 4.276 6.431 14.871 1.00 0.08 H HETATM 2189 H10 ACE A 150 3.163 4.510 13.415 1.00 0.03 H HETATM 2190 H11 ACE A 150 3.158 3.625 14.978 1.00 0.03 H HETATM 2191 H8 ACE A 150 1.033 4.716 14.633 1.00 0.03 H HETATM 2192 H9 ACE A 150 1.905 5.480 16.005 1.00 0.03 H HETATM 2193 H6 ACE A 150 0.693 7.058 14.457 1.00 0.03 H HETATM 2194 H7 ACE A 150 2.433 7.407 14.733 1.00 0.03 H HETATM 2195 H5 ACE A 150 3.002 6.520 12.576 1.00 0.08 H HETATM 2196 H4 ACE A 150 0.960 8.206 11.526 1.00 0.19 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1718 1719 1726 1727 1728 CONECT 1726 1718 CONECT 1727 1718 CONECT 1728 1718 CONECT 1949 1950 1951 1955 CONECT 1950 1949 CONECT 1951 1949 1952 1953 1954 CONECT 1952 1951 CONECT 1953 1951 CONECT 1954 1951 CONECT 1955 1949 1956 2196 CONECT 1956 1955 1957 2179 2195 CONECT 1957 1956 1958 1959 CONECT 1958 1957 CONECT 1959 1957 1960 2178 CONECT 1960 1959 1961 2161 2177 CONECT 1961 1960 1962 1963 CONECT 1962 1961 CONECT 1963 1961 1964 2160 CONECT 1964 1963 1965 2141 2159 CONECT 1965 1964 1966 1967 CONECT 1966 1965 CONECT 1967 1965 1968 2140 CONECT 1968 1967 1969 2124 2139 CONECT 1969 1968 1970 1971 CONECT 1970 1969 CONECT 1971 1969 1972 2123 CONECT 1972 1971 1973 2117 2122 CONECT 1973 1972 1974 1975 CONECT 1974 1973 CONECT 1975 1973 1976 2116 CONECT 1976 1975 1977 2097 2115 CONECT 1977 1976 1978 1979 CONECT 1978 1977 CONECT 1979 1977 1980 2096 CONECT 1980 1979 1981 2033 2092 CONECT 1981 1980 1982 1983 CONECT 1982 1981 CONECT 1983 1981 1984 2091 CONECT 1984 1983 1985 2079 2090 CONECT 1985 1984 1986 1987 CONECT 1986 1985 CONECT 1987 1985 1988 2078 CONECT 1988 1987 1989 2064 2077 CONECT 1989 1988 1990 1991 CONECT 1990 1989 CONECT 1991 1989 1992 2063 CONECT 1992 1991 1993 2049 2062 CONECT 1993 1992 1994 1995 CONECT 1994 1993 CONECT 1995 1993 1996 2048 CONECT 1996 1995 1997 2022 2026 CONECT 1997 1996 1998 1999 CONECT 1998 1997 CONECT 1999 1997 2000 2021 CONECT 2000 1999 2001 2006 2020 CONECT 2001 2000 2002 2003 CONECT 2002 2001 CONECT 2003 2001 2004 2005 CONECT 2004 2003 CONECT 2005 2003 CONECT 2006 2000 2007 2018 2019 CONECT 2007 2006 2008 2012 CONECT 2008 2007 2009 2017 CONECT 2009 2008 2010 2016 CONECT 2010 2009 2011 2015 CONECT 2011 2010 2012 2014 CONECT 2012 2007 2011 2013 CONECT 2013 2012 CONECT 2014 2011 CONECT 2015 2010 CONECT 2016 2009 CONECT 2017 2008 CONECT 2018 2006 CONECT 2019 2006 CONECT 2020 2000 CONECT 2021 1999 CONECT 2022 1996 2023 2024 2025 CONECT 2023 2022 CONECT 2024 2022 CONECT 2025 2022 CONECT 2026 1996 2027 2046 2047 CONECT 2027 2026 2028 2044 2045 CONECT 2028 2027 2029 2042 2043 CONECT 2029 2028 2030 2041 CONECT 2030 2029 2031 2040 CONECT 2031 2030 2032 2038 2039 CONECT 2032 2031 2033 2036 2037 CONECT 2033 1980 2032 2034 2035 CONECT 2034 2033 CONECT 2035 2033 CONECT 2036 2032 CONECT 2037 2032 CONECT 2038 2031 CONECT 2039 2031 CONECT 2040 2030 CONECT 2041 2029 CONECT 2042 2028 CONECT 2043 2028 CONECT 2044 2027 CONECT 2045 2027 CONECT 2046 2026 CONECT 2047 2026 CONECT 2048 1995 CONECT 2049 1992 2050 2060 2061 CONECT 2050 2049 2051 2055 2059 CONECT 2051 2050 2052 2053 2054 CONECT 2052 2051 CONECT 2053 2051 CONECT 2054 2051 CONECT 2055 2050 2056 2057 2058 CONECT 2056 2055 CONECT 2057 2055 CONECT 2058 2055 CONECT 2059 2050 CONECT 2060 2049 CONECT 2061 2049 CONECT 2062 1992 CONECT 2063 1991 CONECT 2064 1988 2065 2075 2076 CONECT 2065 2064 2066 2070 2074 CONECT 2066 2065 2067 2068 2069 CONECT 2067 2066 CONECT 2068 2066 CONECT 2069 2066 CONECT 2070 2065 2071 2072 2073 CONECT 2071 2070 CONECT 2072 2070 CONECT 2073 2070 CONECT 2074 2065 CONECT 2075 2064 CONECT 2076 2064 CONECT 2077 1988 CONECT 2078 1987 CONECT 2079 1984 2080 2088 2089 CONECT 2080 2079 2081 2086 2087 CONECT 2081 2080 2082 2083 CONECT 2082 2081 CONECT 2083 2081 2084 2085 CONECT 2084 2083 CONECT 2085 2083 CONECT 2086 2080 CONECT 2087 2080 CONECT 2088 2079 CONECT 2089 2079 CONECT 2090 1984 CONECT 2091 1983 CONECT 2092 1980 2093 2094 2095 CONECT 2093 2092 CONECT 2094 2092 CONECT 2095 2092 CONECT 2096 1979 CONECT 2097 1976 2098 2113 2114 CONECT 2098 2097 2099 2111 2112 CONECT 2099 2098 2100 2109 2110 CONECT 2100 2099 2101 2108 CONECT 2101 2100 2102 2105 CONECT 2102 2101 2103 2104 CONECT 2103 2102 CONECT 2104 2102 CONECT 2105 2101 2106 2107 CONECT 2106 2105 CONECT 2107 2105 CONECT 2108 2100 CONECT 2109 2099 CONECT 2110 2099 CONECT 2111 2098 CONECT 2112 2098 CONECT 2113 2097 CONECT 2114 2097 CONECT 2115 1976 CONECT 2116 1975 CONECT 2117 1972 2118 2120 2121 CONECT 2118 2117 2119 CONECT 2119 2118 CONECT 2120 2117 CONECT 2121 2117 CONECT 2122 1972 CONECT 2123 1971 CONECT 2124 1968 2125 2137 2138 CONECT 2125 2124 2126 2130 CONECT 2126 2125 2127 2136 CONECT 2127 2126 2128 2135 CONECT 2128 2127 2129 2133 CONECT 2129 2128 2130 2132 CONECT 2130 2125 2129 2131 CONECT 2131 2130 CONECT 2132 2129 CONECT 2133 2128 2134 CONECT 2134 2133 CONECT 2135 2127 CONECT 2136 2126 CONECT 2137 2124 CONECT 2138 2124 CONECT 2139 1968 CONECT 2140 1967 CONECT 2141 1964 2142 2157 2158 CONECT 2142 2141 2143 2155 2156 CONECT 2143 2142 2144 2153 2154 CONECT 2144 2143 2145 2152 CONECT 2145 2144 2146 2149 CONECT 2146 2145 2147 2148 CONECT 2147 2146 CONECT 2148 2146 CONECT 2149 2145 2150 2151 CONECT 2150 2149 CONECT 2151 2149 CONECT 2152 2144 CONECT 2153 2143 CONECT 2154 2143 CONECT 2155 2142 CONECT 2156 2142 CONECT 2157 2141 CONECT 2158 2141 CONECT 2159 1964 CONECT 2160 1963 CONECT 2161 1960 2162 2175 2176 CONECT 2162 2161 2163 2173 2174 CONECT 2163 2162 2164 2171 2172 CONECT 2164 2163 2165 2169 2170 CONECT 2165 2164 2166 2167 2168 CONECT 2166 2165 CONECT 2167 2165 CONECT 2168 2165 CONECT 2169 2164 CONECT 2170 2164 CONECT 2171 2163 CONECT 2172 2163 CONECT 2173 2162 CONECT 2174 2162 CONECT 2175 2161 CONECT 2176 2161 CONECT 2177 1960 CONECT 2178 1959 CONECT 2179 1956 2180 2193 2194 CONECT 2180 2179 2181 2191 2192 CONECT 2181 2180 2182 2189 2190 CONECT 2182 2181 2183 2187 2188 CONECT 2183 2182 2184 2185 2186 CONECT 2184 2183 CONECT 2185 2183 CONECT 2186 2183 CONECT 2187 2182 CONECT 2188 2182 CONECT 2189 2181 CONECT 2190 2181 CONECT 2191 2180 CONECT 2192 2180 CONECT 2193 2179 CONECT 2194 2179 CONECT 2195 1956 CONECT 2196 1955 MASTER 0 0 0 0 0 0 0 0 2194 2 256 15 END
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5zoo
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Entry Information
PDB ID
5zjy
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Eukaryotic translation initiation factor 4E
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
1.59(Å)
Affinity (Kd/Ki/IC50)
Kd=6.6nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Chem Sci Vol. 10: pp. 2489-2500
Ligand Properties
Formula
C
7
8
H
1
3
2
N
2
2
O
1
6
Molecular Weight
1634.020
Exact Mass
1633.020
No. of atoms
248
No. of bonds
250
Polar Surface Area
663.14
LOGP Value
2.92 (
Computed with XLOGP3
)
0.28 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 54
No. of Nitrogen and Oxygen Atoms: 38
No. of Rings: 3
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@]1(C)CCC/C=C\CCC[C@@](C)(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(C)C)CC(C)C)C(=O)N[C@H](C(=O)N)Cc1ccccc1)CCC[NH+]=C(N)N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CCCC[NH3+])CCCC[NH3+])CCC[NH+]=C(N)N
InChI String
InChI=1S/C78H128N22O16/c1-46(2)41-58-68(110)94-59(42-47(3)4)72(114)100-78(7,74(116)98-57(63(82)105)43-49-23-13-12-14-24-49)36-18-11-9-8-10-17-35-77(6,73(115)97-56(67(109)93-58)33-34-62(81)104)99-71(113)55(28-22-40-88-76(85)86)92-70(112)61(45-101)96-69(111)60(44-50-29-31-51(103)32-30-50)95-66(108)54(27-21-39-87-75(83)84)91-65(107)53(26-16-20-38-80)90-64(106)52(89-48(5)102)25-15-19-37-79/h8-9,12-14,23-24,29-32,46-47,52-61,101,103H,10-11,15-22,25-28,33-45,79-80H2,1-7H3,(H2,81,104)(H2,82,105)(H,89,102)(H,90,106)(H,91,107)(H,92,112)(H,93,109)(H,94,110)(H,95,108)(H,96,111)(H,97,115)(H,98,116)(H,99,113)(H,100,114)(H4,83,84,87)(H4,85,86,88)/p+4/b9-8-/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,77+,78+/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P06730
Entrez Gene ID
NCBI Entrez Gene ID:
1977
ASD
Information of known allosteric effects of PDB entries
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