Browse entries in the PDBbind-CN Database
HEADER 5ZK7_COMPLEX COMPND 5ZK7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 21 ALA ASN PRO GLU HIS TYR ILE LYS HIS PRO LEU GLN ASN SEQRES 2 A 21 ARG TRP ALA LEU TRP PHE PHE LYS SEQRES 1 A 150 TRP GLN ALA ASN LEU ARG LEU ILE SER LYS PHE ASP THR SEQRES 2 A 150 VAL GLU ASP PHE TRP ALA LEU TYR ASN HIS ILE GLN LEU SEQRES 3 A 150 SER SER ASN LEU MET PRO GLY CYS ASP TYR SER LEU PHE SEQRES 4 A 150 LYS ASP GLY ILE GLU PRO MET TRP GLU ASP GLU LYS ASN SEQRES 5 A 150 LYS ARG GLY GLY ARG TRP LEU ILE THR LEU ASN LYS GLN SEQRES 6 A 150 GLN ARG ARG SER ASP LEU ASP ARG PHE TRP LEU GLU THR SEQRES 7 A 150 LEU LEU CYS LEU ILE GLY GLU SER PHE ASP ASP TYR SER SEQRES 8 A 150 ASP ASP VAL CYS GLY ALA VAL VAL ASN VAL ARG ALA LYS SEQRES 9 A 150 GLY ASP LYS ILE ALA ILE TRP THR THR GLU CYS GLU ASN SEQRES 10 A 150 ARG GLU ALA VAL THR HIS ILE GLY ARG VAL TYR LYS GLU SEQRES 11 A 150 ARG LEU GLY LEU PRO PRO LYS ILE VAL ILE GLY TYR GLN SEQRES 12 A 150 SER HIS ALA ASP THR ALA THR SEQRES 1 A 7 THR LYS ASN ARG PHE VAL VAL HET ACE A 247 87 ATOM 1 N ALA A 29 -8.607 26.749 -3.378 1.00 42.03 N ATOM 2 CA ALA A 29 -7.600 26.451 -4.441 1.00 40.55 C ATOM 3 C ALA A 29 -7.634 24.977 -4.831 1.00 40.79 C ATOM 4 O ALA A 29 -7.630 24.106 -3.959 1.00 39.17 O ATOM 5 CB ALA A 29 -6.202 26.833 -3.977 1.00 40.99 C ATOM 6 HN3 ALA A 29 -8.399 26.176 -2.535 1.00 0.00 H ATOM 7 HN2 ALA A 29 -9.558 26.519 -3.729 1.00 0.00 H ATOM 8 HN1 ALA A 29 -8.562 27.759 -3.132 1.00 0.00 H ATOM 9 N ASN A 30 -7.669 24.704 -6.135 1.00 40.10 N ATOM 10 CA ASN A 30 -7.574 23.336 -6.637 1.00 41.00 C ATOM 11 C ASN A 30 -6.102 22.932 -6.655 1.00 40.42 C ATOM 12 O ASN A 30 -5.323 23.489 -7.439 1.00 40.79 O ATOM 13 CB ASN A 30 -8.163 23.225 -8.045 1.00 42.35 C ATOM 14 CG ASN A 30 -9.650 23.531 -8.087 1.00 44.07 C ATOM 15 OD1 ASN A 30 -10.358 23.417 -7.082 1.00 45.07 O ATOM 16 ND2 ASN A 30 -10.134 23.917 -9.262 1.00 43.98 N ATOM 17 HD22 ASN A 30 -9.501 24.000 -10.083 1.00 0.00 H ATOM 18 HD21 ASN A 30 -11.146 24.137 -9.361 1.00 0.00 H ATOM 19 H ASN A 30 -7.767 25.486 -6.813 1.00 0.00 H ATOM 20 N PRO A 31 -5.709 21.968 -5.797 1.00 40.32 N ATOM 21 CA PRO A 31 -4.302 21.598 -5.748 1.00 40.30 C ATOM 22 C PRO A 31 -3.891 20.747 -6.945 1.00 39.39 C ATOM 23 O PRO A 31 -4.730 20.083 -7.557 1.00 37.92 O ATOM 24 CB PRO A 31 -4.208 20.783 -4.458 1.00 40.99 C ATOM 25 CG PRO A 31 -5.534 20.121 -4.355 1.00 40.71 C ATOM 26 CD PRO A 31 -6.530 21.084 -4.945 1.00 40.73 C ATOM 27 N GLU A 32 -2.602 20.776 -7.260 1.00 38.85 N ATOM 28 CA GLU A 32 -2.027 19.897 -8.271 1.00 39.32 C ATOM 29 C GLU A 32 -2.115 18.427 -7.839 1.00 36.53 C ATOM 30 O GLU A 32 -2.265 17.547 -8.680 1.00 34.02 O ATOM 31 CB GLU A 32 -0.574 20.291 -8.539 1.00 42.66 C ATOM 32 CG GLU A 32 0.030 19.670 -9.788 1.00 46.24 C ATOM 33 CD GLU A 32 1.155 20.510 -10.372 1.00 50.21 C ATOM 34 OE1 GLU A 32 0.897 21.684 -10.736 1.00 53.28 O ATOM 35 OE2 GLU A 32 2.289 19.994 -10.476 1.00 52.53 O ATOM 36 H GLU A 32 -1.980 21.449 -6.768 1.00 0.00 H ATOM 37 N HIS A 33 -2.032 18.180 -6.528 1.00 34.17 N ATOM 38 CA HIS A 33 -2.130 16.837 -5.960 1.00 33.77 C ATOM 39 C HIS A 33 -3.254 16.792 -4.932 1.00 33.18 C ATOM 40 O HIS A 33 -3.089 17.239 -3.788 1.00 32.92 O ATOM 41 CB HIS A 33 -0.802 16.432 -5.322 1.00 34.43 C ATOM 42 CG HIS A 33 0.297 16.229 -6.314 1.00 35.70 C ATOM 43 ND1 HIS A 33 1.286 17.164 -6.530 1.00 35.95 N ATOM 44 CD2 HIS A 33 0.548 15.210 -7.170 1.00 37.11 C ATOM 45 CE1 HIS A 33 2.106 16.724 -7.467 1.00 36.16 C ATOM 46 NE2 HIS A 33 1.682 15.541 -7.872 1.00 37.29 N ATOM 47 H HIS A 33 -1.891 18.982 -5.881 1.00 0.00 H ATOM 48 N TYR A 34 -4.395 16.258 -5.363 1.00 31.18 N ATOM 49 CA TYR A 34 -5.579 16.112 -4.524 1.00 30.48 C ATOM 50 C TYR A 34 -5.407 14.923 -3.569 1.00 29.34 C ATOM 51 O TYR A 34 -5.034 13.826 -3.988 1.00 29.55 O ATOM 52 CB TYR A 34 -6.828 15.934 -5.410 1.00 31.22 C ATOM 53 CG TYR A 34 -8.114 15.750 -4.638 1.00 31.40 C ATOM 54 CD1 TYR A 34 -8.811 16.847 -4.135 1.00 32.27 C ATOM 55 CD2 TYR A 34 -8.625 14.475 -4.394 1.00 31.49 C ATOM 56 CE1 TYR A 34 -9.991 16.680 -3.419 1.00 32.13 C ATOM 57 CE2 TYR A 34 -9.801 14.293 -3.679 1.00 31.50 C ATOM 58 CZ TYR A 34 -10.482 15.395 -3.192 1.00 31.68 C ATOM 59 OH TYR A 34 -11.647 15.213 -2.480 1.00 30.26 O ATOM 60 HH TYR A 34 -11.459 14.667 -1.676 1.00 0.00 H ATOM 61 H TYR A 34 -4.444 15.928 -6.348 1.00 0.00 H ATOM 62 N ILE A 35 -5.679 15.156 -2.288 1.00 28.97 N ATOM 63 CA ILE A 35 -5.551 14.134 -1.242 1.00 28.28 C ATOM 64 C ILE A 35 -6.939 13.581 -0.896 1.00 27.44 C ATOM 65 O ILE A 35 -7.834 14.321 -0.462 1.00 26.85 O ATOM 66 CB ILE A 35 -4.865 14.712 0.015 1.00 29.16 C ATOM 67 CG1 ILE A 35 -3.432 15.130 -0.333 1.00 30.01 C ATOM 68 CG2 ILE A 35 -4.836 13.683 1.148 1.00 29.13 C ATOM 69 CD1 ILE A 35 -2.864 16.176 0.585 1.00 30.61 C ATOM 70 H ILE A 35 -5.998 16.107 -2.014 1.00 0.00 H ATOM 71 N LYS A 36 -7.100 12.274 -1.085 1.00 26.43 N ATOM 72 CA LYS A 36 -8.370 11.588 -0.827 1.00 25.96 C ATOM 73 C LYS A 36 -8.647 11.479 0.675 1.00 25.82 C ATOM 74 O LYS A 36 -7.746 11.662 1.500 1.00 25.76 O ATOM 75 CB LYS A 36 -8.373 10.220 -1.513 1.00 26.11 C ATOM 76 CG LYS A 36 -8.369 10.350 -3.034 1.00 27.19 C ATOM 77 CD LYS A 36 -8.013 9.067 -3.764 1.00 27.12 C ATOM 78 CE LYS A 36 -8.205 9.255 -5.265 1.00 28.03 C ATOM 79 NZ LYS A 36 -7.832 8.040 -6.038 1.00 29.17 N ATOM 80 HZ1 LYS A 36 -6.831 7.815 -5.866 1.00 0.00 H ATOM 81 HZ2 LYS A 36 -8.425 7.242 -5.734 1.00 0.00 H ATOM 82 HZ3 LYS A 36 -7.980 8.217 -7.052 1.00 0.00 H ATOM 83 H LYS A 36 -6.293 11.716 -1.430 1.00 0.00 H ATOM 84 N HIS A 37 -9.904 11.212 1.015 1.00 25.44 N ATOM 85 CA HIS A 37 -10.363 11.212 2.407 1.00 25.43 C ATOM 86 C HIS A 37 -10.447 9.774 2.882 1.00 25.29 C ATOM 87 O HIS A 37 -11.292 9.028 2.402 1.00 26.21 O ATOM 88 CB HIS A 37 -11.725 11.894 2.517 1.00 24.76 C ATOM 89 CG HIS A 37 -11.669 13.366 2.279 1.00 24.25 C ATOM 90 ND1 HIS A 37 -11.606 13.911 1.014 1.00 23.72 N ATOM 91 CD2 HIS A 37 -11.653 14.408 3.144 1.00 23.72 C ATOM 92 CE1 HIS A 37 -11.555 15.228 1.112 1.00 23.84 C ATOM 93 NE2 HIS A 37 -11.588 15.555 2.392 1.00 23.57 N ATOM 94 H HIS A 37 -10.589 10.994 0.263 1.00 0.00 H ATOM 95 N PRO A 38 -9.569 9.375 3.821 1.00 25.53 N ATOM 96 CA PRO A 38 -9.493 7.962 4.206 1.00 25.69 C ATOM 97 C PRO A 38 -10.691 7.474 5.018 1.00 25.45 C ATOM 98 O PRO A 38 -11.145 8.165 5.923 1.00 25.47 O ATOM 99 CB PRO A 38 -8.221 7.898 5.052 1.00 25.13 C ATOM 100 CG PRO A 38 -8.092 9.258 5.622 1.00 25.90 C ATOM 101 CD PRO A 38 -8.606 10.197 4.573 1.00 25.43 C ATOM 102 N LEU A 39 -11.181 6.285 4.687 1.00 25.85 N ATOM 103 CA LEU A 39 -12.254 5.641 5.439 1.00 26.30 C ATOM 104 C LEU A 39 -11.695 5.023 6.719 1.00 27.25 C ATOM 105 O LEU A 39 -10.505 4.693 6.796 1.00 27.06 O ATOM 106 CB LEU A 39 -12.926 4.558 4.593 1.00 25.88 C ATOM 107 CG LEU A 39 -13.684 5.059 3.360 1.00 26.10 C ATOM 108 CD1 LEU A 39 -14.010 3.911 2.421 1.00 25.43 C ATOM 109 CD2 LEU A 39 -14.950 5.813 3.752 1.00 25.91 C ATOM 110 H LEU A 39 -10.785 5.794 3.860 1.00 0.00 H ATOM 111 N GLN A 40 -12.559 4.870 7.718 1.00 28.18 N ATOM 112 CA GLN A 40 -12.181 4.228 8.985 1.00 30.52 C ATOM 113 C GLN A 40 -11.634 2.811 8.772 1.00 30.50 C ATOM 114 O GLN A 40 -10.705 2.394 9.465 1.00 31.29 O ATOM 115 CB GLN A 40 -13.376 4.177 9.946 1.00 32.17 C ATOM 116 CG GLN A 40 -13.015 3.909 11.403 1.00 34.36 C ATOM 117 CD GLN A 40 -12.364 5.106 12.078 1.00 36.10 C ATOM 118 OE1 GLN A 40 -12.897 6.214 12.047 1.00 37.87 O ATOM 119 NE2 GLN A 40 -11.205 4.888 12.687 1.00 36.99 N ATOM 120 HE22 GLN A 40 -10.790 3.934 12.689 1.00 0.00 H ATOM 121 HE21 GLN A 40 -10.712 5.671 13.162 1.00 0.00 H ATOM 122 H GLN A 40 -13.533 5.215 7.599 1.00 0.00 H ATOM 123 N ASN A 41 -12.209 2.088 7.811 1.00 28.87 N ATOM 124 CA ASN A 41 -11.782 0.738 7.473 1.00 28.93 C ATOM 125 C ASN A 41 -11.518 0.608 5.977 1.00 30.35 C ATOM 126 O ASN A 41 -12.074 1.365 5.174 1.00 29.29 O ATOM 127 CB ASN A 41 -12.861 -0.255 7.896 1.00 28.36 C ATOM 128 CG ASN A 41 -12.843 -0.524 9.388 1.00 28.70 C ATOM 129 OD1 ASN A 41 -11.905 -1.133 9.893 1.00 30.70 O ATOM 130 ND2 ASN A 41 -13.871 -0.073 10.097 1.00 26.91 N ATOM 131 HD22 ASN A 41 -14.644 0.438 9.625 1.00 0.00 H ATOM 132 HD21 ASN A 41 -13.903 -0.231 11.124 1.00 0.00 H ATOM 133 H ASN A 41 -12.998 2.507 7.279 1.00 0.00 H ATOM 134 N ARG A 42 -10.655 -0.346 5.621 1.00 30.54 N ATOM 135 CA ARG A 42 -10.486 -0.779 4.232 1.00 30.88 C ATOM 136 C ARG A 42 -11.555 -1.834 3.940 1.00 30.17 C ATOM 137 O ARG A 42 -11.872 -2.670 4.797 1.00 29.25 O ATOM 138 CB ARG A 42 -9.063 -1.316 3.976 1.00 32.15 C ATOM 139 CG ARG A 42 -8.848 -1.950 2.597 1.00 34.01 C ATOM 140 CD ARG A 42 -7.399 -1.883 2.104 1.00 35.57 C ATOM 141 NE ARG A 42 -7.233 -0.801 1.117 1.00 38.55 N ATOM 142 CZ ARG A 42 -6.941 -0.939 -0.182 1.00 37.67 C ATOM 143 NH1 ARG A 42 -6.691 -2.130 -0.733 1.00 42.60 N ATOM 144 NH2 ARG A 42 -6.853 0.143 -0.939 1.00 35.61 N ATOM 145 HE ARG A 42 -7.356 0.171 1.466 1.00 0.00 H ATOM 146 HH12 ARG A 42 -6.468 -2.198 -1.746 1.00 0.00 H ATOM 147 HH11 ARG A 42 -6.720 -2.990 -0.148 1.00 0.00 H ATOM 148 HH22 ARG A 42 -6.627 0.053 -1.950 1.00 0.00 H ATOM 149 HH21 ARG A 42 -7.010 1.083 -0.523 1.00 0.00 H ATOM 150 H ARG A 42 -10.080 -0.800 6.359 1.00 0.00 H ATOM 151 N TRP A 43 -12.112 -1.767 2.732 1.00 29.20 N ATOM 152 CA TRP A 43 -13.248 -2.588 2.321 1.00 29.11 C ATOM 153 C TRP A 43 -12.924 -3.317 1.030 1.00 29.73 C ATOM 154 O TRP A 43 -12.111 -2.847 0.229 1.00 29.34 O ATOM 155 CB TRP A 43 -14.485 -1.715 2.108 1.00 27.83 C ATOM 156 CG TRP A 43 -14.948 -1.075 3.346 1.00 27.58 C ATOM 157 CD1 TRP A 43 -14.558 0.133 3.835 1.00 27.68 C ATOM 158 CD2 TRP A 43 -15.891 -1.604 4.277 1.00 27.58 C ATOM 159 NE1 TRP A 43 -15.192 0.388 5.024 1.00 27.32 N ATOM 160 CE2 TRP A 43 -16.016 -0.665 5.320 1.00 27.03 C ATOM 161 CE3 TRP A 43 -16.637 -2.791 4.339 1.00 27.68 C ATOM 162 CZ2 TRP A 43 -16.861 -0.867 6.409 1.00 27.25 C ATOM 163 CZ3 TRP A 43 -17.476 -2.994 5.425 1.00 27.47 C ATOM 164 CH2 TRP A 43 -17.579 -2.038 6.447 1.00 27.60 C ATOM 165 HE1 TRP A 43 -15.067 1.241 5.606 1.00 0.00 H ATOM 166 H TRP A 43 -11.717 -1.094 2.045 1.00 0.00 H ATOM 167 N ALA A 44 -13.579 -4.459 0.839 1.00 30.57 N ATOM 168 CA ALA A 44 -13.389 -5.292 -0.342 1.00 31.31 C ATOM 169 C ALA A 44 -14.745 -5.637 -0.937 1.00 30.87 C ATOM 170 O ALA A 44 -15.643 -6.074 -0.216 1.00 30.21 O ATOM 171 CB ALA A 44 -12.634 -6.561 0.030 1.00 31.92 C ATOM 172 H ALA A 44 -14.256 -4.771 1.564 1.00 0.00 H ATOM 173 N LEU A 45 -14.887 -5.417 -2.245 1.00 31.83 N ATOM 174 CA LEU A 45 -16.099 -5.761 -2.969 1.00 32.77 C ATOM 175 C LEU A 45 -15.924 -7.139 -3.604 1.00 33.89 C ATOM 176 O LEU A 45 -14.940 -7.379 -4.307 1.00 33.69 O ATOM 177 CB LEU A 45 -16.403 -4.724 -4.050 1.00 32.80 C ATOM 178 CG LEU A 45 -17.716 -4.939 -4.809 1.00 32.66 C ATOM 179 CD1 LEU A 45 -18.902 -4.562 -3.937 1.00 33.20 C ATOM 180 CD2 LEU A 45 -17.739 -4.155 -6.110 1.00 32.80 C ATOM 181 H LEU A 45 -14.099 -4.982 -2.767 1.00 0.00 H ATOM 182 N TRP A 46 -16.893 -8.021 -3.361 1.00 35.02 N ATOM 183 CA TRP A 46 -16.894 -9.383 -3.892 1.00 37.18 C ATOM 184 C TRP A 46 -18.060 -9.595 -4.853 1.00 38.05 C ATOM 185 O TRP A 46 -19.081 -8.894 -4.782 1.00 36.15 O ATOM 186 CB TRP A 46 -17.024 -10.395 -2.759 1.00 38.78 C ATOM 187 CG TRP A 46 -15.935 -10.344 -1.740 1.00 39.74 C ATOM 188 CD1 TRP A 46 -15.793 -9.433 -0.733 1.00 40.11 C ATOM 189 CD2 TRP A 46 -14.850 -11.264 -1.606 1.00 40.92 C ATOM 190 NE1 TRP A 46 -14.676 -9.722 0.013 1.00 41.37 N ATOM 191 CE2 TRP A 46 -14.076 -10.840 -0.502 1.00 41.09 C ATOM 192 CE3 TRP A 46 -14.450 -12.404 -2.316 1.00 42.07 C ATOM 193 CZ2 TRP A 46 -12.926 -11.518 -0.087 1.00 41.39 C ATOM 194 CZ3 TRP A 46 -13.304 -13.081 -1.903 1.00 42.45 C ATOM 195 CH2 TRP A 46 -12.557 -12.633 -0.797 1.00 42.29 C ATOM 196 HE1 TRP A 46 -14.341 -9.180 0.835 1.00 0.00 H ATOM 197 H TRP A 46 -17.690 -7.725 -2.762 1.00 0.00 H ATOM 198 N PHE A 47 -17.899 -10.581 -5.731 1.00 39.68 N ATOM 199 CA PHE A 47 -18.926 -10.968 -6.694 1.00 41.79 C ATOM 200 C PHE A 47 -19.097 -12.483 -6.692 1.00 42.98 C ATOM 201 O PHE A 47 -18.115 -13.215 -6.748 1.00 43.28 O ATOM 202 CB PHE A 47 -18.537 -10.493 -8.090 1.00 42.45 C ATOM 203 CG PHE A 47 -19.560 -10.798 -9.141 1.00 44.23 C ATOM 204 CD1 PHE A 47 -20.726 -10.043 -9.231 1.00 44.51 C ATOM 205 CD2 PHE A 47 -19.362 -11.840 -10.047 1.00 44.89 C ATOM 206 CE1 PHE A 47 -21.676 -10.320 -10.205 1.00 45.37 C ATOM 207 CE2 PHE A 47 -20.309 -12.120 -11.023 1.00 45.20 C ATOM 208 CZ PHE A 47 -21.467 -11.361 -11.102 1.00 45.63 C ATOM 209 H PHE A 47 -16.998 -11.101 -5.732 1.00 0.00 H ATOM 210 N PHE A 48 -20.347 -12.932 -6.623 1.00 45.86 N ATOM 211 CA PHE A 48 -20.701 -14.345 -6.707 1.00 48.67 C ATOM 212 C PHE A 48 -21.531 -14.546 -7.969 1.00 50.31 C ATOM 213 O PHE A 48 -22.375 -13.709 -8.283 1.00 50.89 O ATOM 214 CB PHE A 48 -21.506 -14.754 -5.475 1.00 50.53 C ATOM 215 CG PHE A 48 -21.797 -16.228 -5.395 1.00 52.13 C ATOM 216 CD1 PHE A 48 -22.913 -16.771 -6.036 1.00 53.73 C ATOM 217 CD2 PHE A 48 -20.967 -17.073 -4.668 1.00 51.76 C ATOM 218 CE1 PHE A 48 -23.185 -18.129 -5.960 1.00 54.02 C ATOM 219 CE2 PHE A 48 -21.238 -18.430 -4.587 1.00 52.47 C ATOM 220 CZ PHE A 48 -22.346 -18.959 -5.232 1.00 53.17 C ATOM 221 H PHE A 48 -21.113 -12.239 -6.503 1.00 0.00 H ATOM 222 N LYS A 49 -21.287 -15.649 -8.681 1.00 52.28 N ATOM 223 CA LYS A 49 -21.984 -15.969 -9.936 1.00 54.29 C ATOM 224 C LYS A 49 -22.888 -17.185 -9.772 1.00 55.43 C ATOM 225 O LYS A 49 -22.414 -18.280 -9.474 1.00 58.18 O ATOM 226 CB LYS A 49 -20.973 -16.234 -11.051 1.00 54.31 C ATOM 227 H LYS A 49 -20.569 -16.315 -8.331 1.00 0.00 H TER 228 LYS A 49 ATOM 229 N TRP A 56 -19.171 -23.955 -4.624 1.00 78.53 N ATOM 230 CA TRP A 56 -19.712 -22.685 -4.144 1.00 78.84 C ATOM 231 C TRP A 56 -18.603 -21.650 -3.955 1.00 75.78 C ATOM 232 O TRP A 56 -18.670 -20.554 -4.515 1.00 74.74 O ATOM 233 CB TRP A 56 -20.478 -22.891 -2.832 1.00 81.55 C ATOM 234 CG TRP A 56 -21.333 -21.721 -2.444 1.00 83.20 C ATOM 235 CD1 TRP A 56 -22.642 -21.516 -2.776 1.00 84.43 C ATOM 236 CD2 TRP A 56 -20.939 -20.592 -1.653 1.00 84.70 C ATOM 237 NE1 TRP A 56 -23.089 -20.330 -2.241 1.00 85.75 N ATOM 238 CE2 TRP A 56 -22.064 -19.742 -1.547 1.00 85.18 C ATOM 239 CE3 TRP A 56 -19.743 -20.215 -1.024 1.00 85.25 C ATOM 240 CZ2 TRP A 56 -22.031 -18.534 -0.836 1.00 85.68 C ATOM 241 CZ3 TRP A 56 -19.709 -19.013 -0.313 1.00 85.81 C ATOM 242 CH2 TRP A 56 -20.849 -18.187 -0.227 1.00 86.45 C ATOM 243 HE1 TRP A 56 -24.048 -19.943 -2.346 1.00 0.00 H ATOM 244 HN3 TRP A 56 -18.487 -24.323 -3.932 1.00 0.00 H ATOM 245 HN2 TRP A 56 -18.696 -23.805 -5.537 1.00 0.00 H ATOM 246 HN1 TRP A 56 -19.946 -24.638 -4.743 1.00 0.00 H ATOM 247 N GLN A 57 -17.582 -22.012 -3.178 1.00 72.68 N ATOM 248 CA GLN A 57 -16.419 -21.141 -2.946 1.00 71.34 C ATOM 249 C GLN A 57 -15.548 -20.929 -4.198 1.00 70.17 C ATOM 250 O GLN A 57 -14.700 -20.035 -4.214 1.00 69.63 O ATOM 251 CB GLN A 57 -15.559 -21.684 -1.798 1.00 70.44 C ATOM 252 H GLN A 57 -17.608 -22.945 -2.719 1.00 0.00 H ATOM 253 N ALA A 58 -15.741 -21.760 -5.225 1.00 69.10 N ATOM 254 CA ALA A 58 -15.178 -21.508 -6.557 1.00 67.34 C ATOM 255 C ALA A 58 -15.752 -20.236 -7.186 1.00 64.97 C ATOM 256 O ALA A 58 -15.006 -19.417 -7.728 1.00 64.54 O ATOM 257 CB ALA A 58 -15.435 -22.699 -7.471 1.00 67.73 C ATOM 258 H ALA A 58 -16.311 -22.617 -5.076 1.00 0.00 H ATOM 259 N ASN A 59 -17.074 -20.074 -7.092 1.00 61.69 N ATOM 260 CA ASN A 59 -17.785 -18.955 -7.733 1.00 60.53 C ATOM 261 C ASN A 59 -17.585 -17.565 -7.088 1.00 58.93 C ATOM 262 O ASN A 59 -18.019 -16.569 -7.669 1.00 60.16 O ATOM 263 CB ASN A 59 -19.292 -19.266 -7.837 1.00 60.28 C ATOM 264 CG ASN A 59 -19.595 -20.453 -8.744 1.00 59.57 C ATOM 265 OD1 ASN A 59 -18.805 -20.805 -9.619 1.00 59.12 O ATOM 266 ND2 ASN A 59 -20.751 -21.069 -8.540 1.00 56.90 N ATOM 267 HD22 ASN A 59 -21.391 -20.739 -7.789 1.00 0.00 H ATOM 268 HD21 ASN A 59 -21.018 -21.882 -9.131 1.00 0.00 H ATOM 269 H ASN A 59 -17.624 -20.766 -6.544 1.00 0.00 H ATOM 270 N LEU A 60 -16.952 -17.490 -5.912 1.00 56.51 N ATOM 271 CA LEU A 60 -16.576 -16.194 -5.314 1.00 54.95 C ATOM 272 C LEU A 60 -15.414 -15.546 -6.060 1.00 53.09 C ATOM 273 O LEU A 60 -14.484 -16.233 -6.487 1.00 54.23 O ATOM 274 CB LEU A 60 -16.190 -16.331 -3.832 1.00 53.96 C ATOM 275 CG LEU A 60 -17.287 -16.219 -2.775 1.00 54.94 C ATOM 276 CD1 LEU A 60 -16.677 -16.454 -1.399 1.00 53.89 C ATOM 277 CD2 LEU A 60 -17.989 -14.866 -2.820 1.00 54.97 C ATOM 278 H LEU A 60 -16.719 -18.368 -5.406 1.00 0.00 H ATOM 279 N ARG A 61 -15.470 -14.220 -6.193 1.00 51.32 N ATOM 280 CA ARG A 61 -14.421 -13.443 -6.861 1.00 51.14 C ATOM 281 C ARG A 61 -14.277 -12.060 -6.223 1.00 49.23 C ATOM 282 O ARG A 61 -15.246 -11.310 -6.141 1.00 49.32 O ATOM 283 CB ARG A 61 -14.731 -13.297 -8.356 1.00 51.09 C ATOM 284 H ARG A 61 -16.293 -13.715 -5.806 1.00 0.00 H ATOM 285 N LEU A 62 -13.068 -11.741 -5.768 1.00 49.12 N ATOM 286 CA LEU A 62 -12.737 -10.405 -5.264 1.00 48.26 C ATOM 287 C LEU A 62 -12.583 -9.439 -6.442 1.00 47.10 C ATOM 288 O LEU A 62 -11.678 -9.623 -7.261 1.00 46.86 O ATOM 289 CB LEU A 62 -11.436 -10.450 -4.448 1.00 48.96 C ATOM 290 CG LEU A 62 -10.792 -9.122 -4.019 1.00 50.26 C ATOM 291 CD1 LEU A 62 -11.683 -8.375 -3.044 1.00 48.84 C ATOM 292 CD2 LEU A 62 -9.420 -9.368 -3.414 1.00 51.10 C ATOM 293 H LEU A 62 -12.327 -12.470 -5.770 1.00 0.00 H ATOM 294 N ILE A 63 -13.451 -8.421 -6.513 1.00 43.62 N ATOM 295 CA ILE A 63 -13.409 -7.411 -7.583 1.00 42.37 C ATOM 296 C ILE A 63 -12.358 -6.339 -7.314 1.00 40.42 C ATOM 297 O ILE A 63 -11.514 -6.069 -8.164 1.00 40.51 O ATOM 298 CB ILE A 63 -14.758 -6.674 -7.768 1.00 43.54 C ATOM 299 CG1 ILE A 63 -15.884 -7.648 -8.131 1.00 44.74 C ATOM 300 CG2 ILE A 63 -14.634 -5.594 -8.849 1.00 44.10 C ATOM 301 CD1 ILE A 63 -17.270 -7.078 -7.888 1.00 45.40 C ATOM 302 H ILE A 63 -14.186 -8.341 -5.781 1.00 0.00 H ATOM 303 N SER A 64 -12.449 -5.697 -6.151 1.00 38.50 N ATOM 304 CA SER A 64 -11.620 -4.533 -5.843 1.00 37.39 C ATOM 305 C SER A 64 -11.629 -4.201 -4.347 1.00 35.42 C ATOM 306 O SER A 64 -12.589 -4.508 -3.642 1.00 33.76 O ATOM 307 CB SER A 64 -12.113 -3.327 -6.654 1.00 37.77 C ATOM 308 OG SER A 64 -11.293 -2.192 -6.460 1.00 41.36 O ATOM 309 HG SER A 64 -11.643 -1.438 -6.998 1.00 0.00 H ATOM 310 H SER A 64 -13.130 -6.034 -5.441 1.00 0.00 H ATOM 311 N LYS A 65 -10.544 -3.585 -3.879 1.00 35.16 N ATOM 312 CA LYS A 65 -10.458 -3.052 -2.519 1.00 34.98 C ATOM 313 C LYS A 65 -10.319 -1.533 -2.556 1.00 32.19 C ATOM 314 O LYS A 65 -9.839 -0.971 -3.542 1.00 31.76 O ATOM 315 CB LYS A 65 -9.283 -3.670 -1.761 1.00 36.92 C ATOM 316 CG LYS A 65 -9.474 -5.137 -1.417 1.00 38.98 C ATOM 317 CD LYS A 65 -8.261 -5.715 -0.698 1.00 40.49 C ATOM 318 CE LYS A 65 -8.533 -7.139 -0.229 1.00 41.94 C ATOM 319 NZ LYS A 65 -7.361 -7.746 0.462 1.00 42.30 N ATOM 320 HZ1 LYS A 65 -6.551 -7.772 -0.190 1.00 0.00 H ATOM 321 HZ2 LYS A 65 -7.118 -7.175 1.296 1.00 0.00 H ATOM 322 HZ3 LYS A 65 -7.599 -8.713 0.760 1.00 0.00 H ATOM 323 H LYS A 65 -9.722 -3.478 -4.508 1.00 0.00 H ATOM 324 N PHE A 66 -10.756 -0.882 -1.478 1.00 29.02 N ATOM 325 CA PHE A 66 -10.649 0.569 -1.342 1.00 27.36 C ATOM 326 C PHE A 66 -10.650 0.982 0.129 1.00 26.60 C ATOM 327 O PHE A 66 -11.168 0.262 0.979 1.00 27.08 O ATOM 328 CB PHE A 66 -11.788 1.274 -2.109 1.00 26.79 C ATOM 329 CG PHE A 66 -13.166 0.956 -1.586 1.00 26.37 C ATOM 330 CD1 PHE A 66 -13.692 1.652 -0.496 1.00 26.59 C ATOM 331 CD2 PHE A 66 -13.934 -0.045 -2.171 1.00 25.95 C ATOM 332 CE1 PHE A 66 -14.951 1.348 -0.002 1.00 26.93 C ATOM 333 CE2 PHE A 66 -15.195 -0.351 -1.682 1.00 25.88 C ATOM 334 CZ PHE A 66 -15.704 0.341 -0.596 1.00 26.47 C ATOM 335 H PHE A 66 -11.189 -1.427 -0.705 1.00 0.00 H ATOM 336 N ASP A 67 -10.050 2.133 0.418 1.00 26.94 N ATOM 337 CA ASP A 67 -10.082 2.720 1.758 1.00 27.49 C ATOM 338 C ASP A 67 -10.178 4.245 1.766 1.00 25.66 C ATOM 339 O ASP A 67 -9.835 4.872 2.764 1.00 24.07 O ATOM 340 CB ASP A 67 -8.861 2.250 2.573 1.00 29.93 C ATOM 341 CG ASP A 67 -7.533 2.653 1.942 1.00 32.71 C ATOM 342 OD1 ASP A 67 -7.523 3.275 0.849 1.00 35.69 O ATOM 343 OD2 ASP A 67 -6.487 2.330 2.543 1.00 36.18 O ATOM 344 H ASP A 67 -9.539 2.635 -0.336 1.00 0.00 H ATOM 345 N THR A 68 -10.640 4.850 0.674 1.00 24.81 N ATOM 346 CA THR A 68 -11.016 6.266 0.702 1.00 24.42 C ATOM 347 C THR A 68 -12.428 6.419 0.151 1.00 23.65 C ATOM 348 O THR A 68 -12.922 5.550 -0.573 1.00 23.78 O ATOM 349 CB THR A 68 -10.068 7.169 -0.106 1.00 23.71 C ATOM 350 OG1 THR A 68 -10.229 6.899 -1.497 1.00 23.34 O ATOM 351 CG2 THR A 68 -8.605 6.969 0.300 1.00 24.03 C ATOM 352 HG1 THR A 68 -10.014 5.949 -1.675 1.00 0.00 H ATOM 353 H THR A 68 -10.735 4.311 -0.210 1.00 0.00 H ATOM 354 N VAL A 69 -13.049 7.540 0.493 1.00 22.67 N ATOM 355 CA VAL A 69 -14.408 7.865 0.047 1.00 22.63 C ATOM 356 C VAL A 69 -14.447 7.996 -1.476 1.00 22.39 C ATOM 357 O VAL A 69 -15.357 7.481 -2.117 1.00 22.20 O ATOM 358 CB VAL A 69 -14.922 9.182 0.669 1.00 22.24 C ATOM 359 CG1 VAL A 69 -16.333 9.514 0.158 1.00 22.84 C ATOM 360 CG2 VAL A 69 -14.905 9.104 2.197 1.00 22.49 C ATOM 361 H VAL A 69 -12.551 8.218 1.104 1.00 0.00 H ATOM 362 N GLU A 70 -13.448 8.678 -2.031 1.00 23.19 N ATOM 363 CA GLU A 70 -13.353 8.922 -3.474 1.00 23.93 C ATOM 364 C GLU A 70 -13.133 7.622 -4.255 1.00 24.52 C ATOM 365 O GLU A 70 -13.684 7.450 -5.343 1.00 25.20 O ATOM 366 CB GLU A 70 -12.226 9.919 -3.791 1.00 23.94 C ATOM 367 CG GLU A 70 -12.471 11.355 -3.327 1.00 23.66 C ATOM 368 CD GLU A 70 -12.031 11.651 -1.901 1.00 23.74 C ATOM 369 OE1 GLU A 70 -11.904 12.847 -1.556 1.00 22.64 O ATOM 370 OE2 GLU A 70 -11.820 10.701 -1.110 1.00 25.55 O ATOM 371 H GLU A 70 -12.701 9.055 -1.413 1.00 0.00 H ATOM 372 N ASP A 71 -12.335 6.709 -3.701 1.00 25.40 N ATOM 373 CA ASP A 71 -12.134 5.395 -4.327 1.00 25.75 C ATOM 374 C ASP A 71 -13.390 4.536 -4.265 1.00 25.39 C ATOM 375 O ASP A 71 -13.663 3.786 -5.204 1.00 24.83 O ATOM 376 CB ASP A 71 -10.936 4.659 -3.722 1.00 26.95 C ATOM 377 CG ASP A 71 -9.616 5.356 -4.014 1.00 27.34 C ATOM 378 OD1 ASP A 71 -9.433 5.865 -5.142 1.00 28.17 O ATOM 379 OD2 ASP A 71 -8.765 5.409 -3.101 1.00 27.87 O ATOM 380 H ASP A 71 -11.846 6.931 -2.810 1.00 0.00 H ATOM 381 N PHE A 72 -14.167 4.648 -3.185 1.00 24.57 N ATOM 382 CA PHE A 72 -15.492 4.021 -3.158 1.00 23.49 C ATOM 383 C PHE A 72 -16.344 4.504 -4.333 1.00 23.73 C ATOM 384 O PHE A 72 -16.881 3.695 -5.085 1.00 23.54 O ATOM 385 CB PHE A 72 -16.235 4.290 -1.852 1.00 23.58 C ATOM 386 CG PHE A 72 -17.699 3.975 -1.931 1.00 22.86 C ATOM 387 CD1 PHE A 72 -18.132 2.652 -1.959 1.00 22.43 C ATOM 388 CD2 PHE A 72 -18.644 4.993 -2.019 1.00 22.38 C ATOM 389 CE1 PHE A 72 -19.484 2.348 -2.047 1.00 22.33 C ATOM 390 CE2 PHE A 72 -19.997 4.695 -2.112 1.00 22.15 C ATOM 391 CZ PHE A 72 -20.417 3.371 -2.124 1.00 22.05 C ATOM 392 H PHE A 72 -13.831 5.183 -2.359 1.00 0.00 H ATOM 393 N TRP A 73 -16.463 5.821 -4.486 1.00 23.36 N ATOM 394 CA TRP A 73 -17.289 6.378 -5.561 1.00 23.59 C ATOM 395 C TRP A 73 -16.793 5.988 -6.950 1.00 23.83 C ATOM 396 O TRP A 73 -17.610 5.705 -7.822 1.00 24.21 O ATOM 397 CB TRP A 73 -17.456 7.898 -5.428 1.00 22.29 C ATOM 398 CG TRP A 73 -18.339 8.262 -4.278 1.00 21.90 C ATOM 399 CD1 TRP A 73 -17.982 8.944 -3.152 1.00 21.67 C ATOM 400 CD2 TRP A 73 -19.723 7.920 -4.117 1.00 21.60 C ATOM 401 NE1 TRP A 73 -19.063 9.064 -2.308 1.00 21.96 N ATOM 402 CE2 TRP A 73 -20.141 8.437 -2.872 1.00 21.70 C ATOM 403 CE3 TRP A 73 -20.650 7.224 -4.903 1.00 21.87 C ATOM 404 CZ2 TRP A 73 -21.451 8.295 -2.401 1.00 21.69 C ATOM 405 CZ3 TRP A 73 -21.955 7.081 -4.434 1.00 21.64 C ATOM 406 CH2 TRP A 73 -22.338 7.608 -3.190 1.00 21.64 C ATOM 407 HE1 TRP A 73 -19.061 9.552 -1.390 1.00 0.00 H ATOM 408 H TRP A 73 -15.965 6.462 -3.836 1.00 0.00 H ATOM 409 N ALA A 74 -15.475 5.951 -7.149 1.00 24.89 N ATOM 410 CA ALA A 74 -14.903 5.510 -8.436 1.00 25.90 C ATOM 411 C ALA A 74 -15.294 4.066 -8.763 1.00 26.65 C ATOM 412 O ALA A 74 -15.617 3.754 -9.910 1.00 26.30 O ATOM 413 CB ALA A 74 -13.387 5.654 -8.440 1.00 26.59 C ATOM 414 H ALA A 74 -14.836 6.239 -6.381 1.00 0.00 H ATOM 415 N LEU A 75 -15.273 3.200 -7.752 1.00 26.33 N ATOM 416 CA LEU A 75 -15.685 1.804 -7.911 1.00 26.89 C ATOM 417 C LEU A 75 -17.183 1.694 -8.194 1.00 27.34 C ATOM 418 O LEU A 75 -17.593 1.042 -9.161 1.00 25.78 O ATOM 419 CB LEU A 75 -15.320 0.987 -6.659 1.00 27.19 C ATOM 420 CG LEU A 75 -15.685 -0.506 -6.658 1.00 27.93 C ATOM 421 CD1 LEU A 75 -15.048 -1.233 -7.836 1.00 28.65 C ATOM 422 CD2 LEU A 75 -15.289 -1.152 -5.338 1.00 28.51 C ATOM 423 H LEU A 75 -14.953 3.526 -6.818 1.00 0.00 H ATOM 424 N TYR A 76 -17.992 2.326 -7.346 1.00 28.28 N ATOM 425 CA TYR A 76 -19.454 2.302 -7.503 1.00 29.42 C ATOM 426 C TYR A 76 -19.917 2.834 -8.865 1.00 30.35 C ATOM 427 O TYR A 76 -20.824 2.273 -9.478 1.00 29.86 O ATOM 428 CB TYR A 76 -20.140 3.105 -6.400 1.00 29.33 C ATOM 429 CG TYR A 76 -21.642 2.988 -6.479 1.00 30.32 C ATOM 430 CD1 TYR A 76 -22.292 1.851 -6.005 1.00 30.76 C ATOM 431 CD2 TYR A 76 -22.414 3.994 -7.055 1.00 30.71 C ATOM 432 CE1 TYR A 76 -23.666 1.726 -6.093 1.00 31.31 C ATOM 433 CE2 TYR A 76 -23.791 3.873 -7.149 1.00 31.31 C ATOM 434 CZ TYR A 76 -24.406 2.737 -6.665 1.00 31.12 C ATOM 435 OH TYR A 76 -25.762 2.604 -6.748 1.00 33.63 O ATOM 436 HH TYR A 76 -26.032 1.736 -6.356 1.00 0.00 H ATOM 437 H TYR A 76 -17.578 2.852 -6.550 1.00 0.00 H ATOM 438 N ASN A 77 -19.294 3.925 -9.303 1.00 32.22 N ATOM 439 CA ASN A 77 -19.610 4.561 -10.584 1.00 34.25 C ATOM 440 C ASN A 77 -19.370 3.620 -11.770 1.00 35.74 C ATOM 441 O ASN A 77 -20.139 3.644 -12.723 1.00 38.11 O ATOM 442 CB ASN A 77 -18.781 5.848 -10.756 1.00 33.37 C ATOM 443 CG ASN A 77 -19.464 6.898 -11.609 1.00 33.15 C ATOM 444 OD1 ASN A 77 -20.689 7.036 -11.605 1.00 31.68 O ATOM 445 ND2 ASN A 77 -18.657 7.687 -12.312 1.00 33.59 N ATOM 446 HD22 ASN A 77 -17.629 7.534 -12.286 1.00 0.00 H ATOM 447 HD21 ASN A 77 -19.054 8.457 -12.888 1.00 0.00 H ATOM 448 H ASN A 77 -18.550 4.345 -8.710 1.00 0.00 H ATOM 449 N HIS A 78 -18.333 2.782 -11.686 1.00 37.52 N ATOM 450 CA HIS A 78 -17.905 1.921 -12.802 1.00 39.78 C ATOM 451 C HIS A 78 -18.654 0.595 -12.942 1.00 39.16 C ATOM 452 O HIS A 78 -18.880 0.141 -14.062 1.00 41.15 O ATOM 453 CB HIS A 78 -16.389 1.653 -12.736 1.00 42.73 C ATOM 454 CG HIS A 78 -15.559 2.763 -13.304 1.00 45.75 C ATOM 455 ND1 HIS A 78 -15.197 3.876 -12.574 1.00 46.88 N ATOM 456 CD2 HIS A 78 -15.029 2.934 -14.540 1.00 47.20 C ATOM 457 CE1 HIS A 78 -14.476 4.682 -13.334 1.00 48.76 C ATOM 458 NE2 HIS A 78 -14.359 4.134 -14.531 1.00 47.66 N ATOM 459 H HIS A 78 -17.804 2.735 -10.792 1.00 0.00 H ATOM 460 N ILE A 79 -19.029 -0.026 -11.825 1.00 36.01 N ATOM 461 CA ILE A 79 -19.640 -1.368 -11.855 1.00 34.97 C ATOM 462 C ILE A 79 -21.151 -1.365 -12.140 1.00 34.16 C ATOM 463 O ILE A 79 -21.828 -0.350 -11.960 1.00 32.59 O ATOM 464 CB ILE A 79 -19.333 -2.168 -10.567 1.00 34.86 C ATOM 465 CG1 ILE A 79 -19.978 -1.521 -9.325 1.00 34.10 C ATOM 466 CG2 ILE A 79 -17.824 -2.325 -10.412 1.00 35.57 C ATOM 467 CD1 ILE A 79 -19.666 -2.217 -8.023 1.00 34.22 C ATOM 468 H ILE A 79 -18.888 0.447 -10.910 1.00 0.00 H ATOM 469 N GLN A 80 -21.659 -2.515 -12.587 1.00 34.08 N ATOM 470 CA GLN A 80 -23.090 -2.706 -12.855 1.00 35.26 C ATOM 471 C GLN A 80 -23.927 -2.529 -11.595 1.00 34.68 C ATOM 472 O GLN A 80 -23.498 -2.894 -10.497 1.00 34.06 O ATOM 473 CB GLN A 80 -23.370 -4.118 -13.387 1.00 38.01 C ATOM 474 CG GLN A 80 -22.868 -4.426 -14.787 1.00 40.35 C ATOM 475 CD GLN A 80 -23.091 -5.888 -15.144 1.00 43.56 C ATOM 476 OE1 GLN A 80 -23.997 -6.224 -15.911 1.00 46.26 O ATOM 477 NE2 GLN A 80 -22.283 -6.770 -14.559 1.00 45.04 N ATOM 478 HE22 GLN A 80 -21.532 -6.442 -13.919 1.00 0.00 H ATOM 479 HE21 GLN A 80 -22.403 -7.787 -14.742 1.00 0.00 H ATOM 480 H GLN A 80 -21.012 -3.312 -12.753 1.00 0.00 H ATOM 481 N LEU A 81 -25.132 -1.995 -11.764 1.00 33.39 N ATOM 482 CA LEU A 81 -26.105 -1.951 -10.679 1.00 33.66 C ATOM 483 C LEU A 81 -26.564 -3.367 -10.338 1.00 33.75 C ATOM 484 O LEU A 81 -26.612 -4.242 -11.213 1.00 32.32 O ATOM 485 CB LEU A 81 -27.313 -1.095 -11.062 1.00 33.28 C ATOM 486 CG LEU A 81 -27.068 0.410 -11.236 1.00 32.98 C ATOM 487 CD1 LEU A 81 -28.283 1.060 -11.882 1.00 33.10 C ATOM 488 CD2 LEU A 81 -26.749 1.067 -9.898 1.00 33.70 C ATOM 489 H LEU A 81 -25.387 -1.599 -12.691 1.00 0.00 H ATOM 490 N SER A 82 -26.895 -3.581 -9.066 1.00 32.80 N ATOM 491 CA SER A 82 -27.458 -4.848 -8.603 1.00 33.19 C ATOM 492 C SER A 82 -28.678 -5.265 -9.435 1.00 33.53 C ATOM 493 O SER A 82 -28.823 -6.437 -9.765 1.00 33.81 O ATOM 494 CB SER A 82 -27.843 -4.752 -7.123 1.00 33.47 C ATOM 495 OG SER A 82 -26.695 -4.575 -6.309 1.00 33.37 O ATOM 496 HG SER A 82 -26.231 -3.741 -6.572 1.00 0.00 H ATOM 497 H SER A 82 -26.747 -2.817 -8.376 1.00 0.00 H ATOM 498 N SER A 83 -29.519 -4.296 -9.797 1.00 33.12 N ATOM 499 CA SER A 83 -30.704 -4.538 -10.631 1.00 35.40 C ATOM 500 C SER A 83 -30.407 -5.068 -12.040 1.00 36.25 C ATOM 501 O SER A 83 -31.293 -5.626 -12.678 1.00 36.96 O ATOM 502 CB SER A 83 -31.526 -3.257 -10.763 1.00 34.96 C ATOM 503 OG SER A 83 -30.758 -2.244 -11.392 1.00 36.55 O ATOM 504 HG SER A 83 -29.952 -2.057 -10.849 1.00 0.00 H ATOM 505 H SER A 83 -29.328 -3.326 -9.475 1.00 0.00 H ATOM 506 N ASN A 84 -29.184 -4.863 -12.524 1.00 37.74 N ATOM 507 CA ASN A 84 -28.767 -5.314 -13.854 1.00 39.77 C ATOM 508 C ASN A 84 -28.042 -6.673 -13.857 1.00 40.20 C ATOM 509 O ASN A 84 -27.709 -7.178 -14.926 1.00 39.55 O ATOM 510 CB ASN A 84 -27.890 -4.230 -14.504 1.00 40.28 C ATOM 511 CG ASN A 84 -28.674 -2.967 -14.854 1.00 41.82 C ATOM 512 OD1 ASN A 84 -29.818 -2.787 -14.434 1.00 46.71 O ATOM 513 ND2 ASN A 84 -28.052 -2.080 -15.616 1.00 41.49 N ATOM 514 HD22 ASN A 84 -27.086 -2.269 -15.951 1.00 0.00 H ATOM 515 HD21 ASN A 84 -28.530 -1.195 -15.879 1.00 0.00 H ATOM 516 H ASN A 84 -28.493 -4.360 -11.931 1.00 0.00 H ATOM 517 N LEU A 85 -27.814 -7.271 -12.682 1.00 40.52 N ATOM 518 CA LEU A 85 -27.129 -8.569 -12.598 1.00 41.60 C ATOM 519 C LEU A 85 -28.024 -9.745 -13.008 1.00 42.67 C ATOM 520 O LEU A 85 -29.253 -9.670 -12.942 1.00 42.14 O ATOM 521 CB LEU A 85 -26.596 -8.829 -11.181 1.00 40.95 C ATOM 522 CG LEU A 85 -25.536 -7.892 -10.591 1.00 41.03 C ATOM 523 CD1 LEU A 85 -25.089 -8.418 -9.233 1.00 40.28 C ATOM 524 CD2 LEU A 85 -24.342 -7.719 -11.517 1.00 40.44 C ATOM 525 H LEU A 85 -28.129 -6.806 -11.807 1.00 0.00 H ATOM 526 N MET A 86 -27.376 -10.841 -13.400 1.00 46.96 N ATOM 527 CA MET A 86 -28.062 -12.092 -13.757 1.00 48.50 C ATOM 528 C MET A 86 -28.700 -12.714 -12.513 1.00 48.30 C ATOM 529 O MET A 86 -28.237 -12.461 -11.399 1.00 47.43 O ATOM 530 CB MET A 86 -27.069 -13.103 -14.337 1.00 50.28 C ATOM 531 CG MET A 86 -26.393 -12.681 -15.629 1.00 53.22 C ATOM 532 SD MET A 86 -27.481 -12.880 -17.046 1.00 58.02 S ATOM 533 CE MET A 86 -26.575 -11.943 -18.279 1.00 58.14 C ATOM 534 H MET A 86 -26.338 -10.811 -13.456 1.00 0.00 H ATOM 535 N PRO A 87 -29.748 -13.547 -12.693 1.00 48.30 N ATOM 536 CA PRO A 87 -30.291 -14.278 -11.542 1.00 47.81 C ATOM 537 C PRO A 87 -29.244 -15.188 -10.890 1.00 46.91 C ATOM 538 O PRO A 87 -28.436 -15.796 -11.594 1.00 46.83 O ATOM 539 CB PRO A 87 -31.429 -15.110 -12.150 1.00 49.04 C ATOM 540 CG PRO A 87 -31.762 -14.438 -13.438 1.00 48.87 C ATOM 541 CD PRO A 87 -30.476 -13.864 -13.935 1.00 48.59 C ATOM 542 N GLY A 88 -29.250 -15.249 -9.559 1.00 45.98 N ATOM 543 CA GLY A 88 -28.297 -16.066 -8.802 1.00 45.42 C ATOM 544 C GLY A 88 -26.932 -15.443 -8.528 1.00 45.05 C ATOM 545 O GLY A 88 -26.043 -16.125 -8.015 1.00 44.88 O ATOM 546 H GLY A 88 -29.959 -14.695 -9.037 1.00 0.00 H ATOM 547 N CYS A 89 -26.753 -14.163 -8.865 1.00 44.03 N ATOM 548 CA CYS A 89 -25.512 -13.446 -8.559 1.00 42.61 C ATOM 549 C CYS A 89 -25.646 -12.651 -7.256 1.00 39.81 C ATOM 550 O CYS A 89 -26.749 -12.251 -6.881 1.00 36.74 O ATOM 551 CB CYS A 89 -25.139 -12.508 -9.708 1.00 43.85 C ATOM 552 SG CYS A 89 -24.781 -13.358 -11.264 1.00 46.12 S ATOM 553 H CYS A 89 -27.517 -13.660 -9.359 1.00 0.00 H ATOM 554 N ASP A 90 -24.519 -12.443 -6.571 1.00 38.12 N ATOM 555 CA ASP A 90 -24.453 -11.562 -5.399 1.00 36.84 C ATOM 556 C ASP A 90 -23.352 -10.519 -5.560 1.00 34.32 C ATOM 557 O ASP A 90 -22.335 -10.774 -6.200 1.00 35.80 O ATOM 558 CB ASP A 90 -24.113 -12.316 -4.100 1.00 38.11 C ATOM 559 CG ASP A 90 -24.903 -13.586 -3.901 1.00 38.01 C ATOM 560 OD1 ASP A 90 -26.111 -13.622 -4.194 1.00 38.58 O ATOM 561 OD2 ASP A 90 -24.296 -14.553 -3.401 1.00 40.40 O ATOM 562 H ASP A 90 -23.651 -12.926 -6.881 1.00 0.00 H ATOM 563 N TYR A 91 -23.554 -9.364 -4.933 1.00 31.58 N ATOM 564 CA TYR A 91 -22.456 -8.484 -4.540 1.00 30.32 C ATOM 565 C TYR A 91 -22.312 -8.620 -3.021 1.00 29.28 C ATOM 566 O TYR A 91 -23.307 -8.805 -2.317 1.00 29.20 O ATOM 567 CB TYR A 91 -22.743 -7.019 -4.880 1.00 30.84 C ATOM 568 CG TYR A 91 -22.476 -6.554 -6.308 1.00 31.08 C ATOM 569 CD1 TYR A 91 -21.245 -6.774 -6.930 1.00 31.46 C ATOM 570 CD2 TYR A 91 -23.439 -5.820 -7.004 1.00 31.53 C ATOM 571 CE1 TYR A 91 -20.999 -6.316 -8.224 1.00 31.75 C ATOM 572 CE2 TYR A 91 -23.202 -5.353 -8.293 1.00 31.98 C ATOM 573 CZ TYR A 91 -21.984 -5.603 -8.900 1.00 32.10 C ATOM 574 OH TYR A 91 -21.758 -5.127 -10.178 1.00 33.63 O ATOM 575 HH TYR A 91 -21.838 -4.140 -10.180 1.00 0.00 H ATOM 576 H TYR A 91 -24.529 -9.077 -4.714 1.00 0.00 H ATOM 577 N SER A 92 -21.082 -8.518 -2.524 1.00 28.43 N ATOM 578 CA SER A 92 -20.828 -8.392 -1.087 1.00 28.70 C ATOM 579 C SER A 92 -19.774 -7.316 -0.841 1.00 27.50 C ATOM 580 O SER A 92 -18.799 -7.237 -1.578 1.00 28.10 O ATOM 581 CB SER A 92 -20.334 -9.714 -0.478 1.00 28.79 C ATOM 582 OG SER A 92 -21.134 -10.814 -0.857 1.00 29.65 O ATOM 583 HG SER A 92 -21.120 -10.907 -1.843 1.00 0.00 H ATOM 584 H SER A 92 -20.273 -8.528 -3.178 1.00 0.00 H ATOM 585 N LEU A 93 -19.963 -6.512 0.204 1.00 26.63 N ATOM 586 CA LEU A 93 -18.919 -5.611 0.691 1.00 26.21 C ATOM 587 C LEU A 93 -18.593 -5.982 2.127 1.00 26.13 C ATOM 588 O LEU A 93 -19.451 -5.905 2.996 1.00 25.73 O ATOM 589 CB LEU A 93 -19.360 -4.145 0.618 1.00 26.30 C ATOM 590 CG LEU A 93 -18.222 -3.140 0.845 1.00 25.97 C ATOM 591 CD1 LEU A 93 -17.428 -2.946 -0.434 1.00 26.06 C ATOM 592 CD2 LEU A 93 -18.730 -1.803 1.366 1.00 26.28 C ATOM 593 H LEU A 93 -20.883 -6.525 0.689 1.00 0.00 H ATOM 594 N PHE A 94 -17.347 -6.375 2.366 1.00 28.12 N ATOM 595 CA PHE A 94 -16.888 -6.799 3.690 1.00 28.95 C ATOM 596 C PHE A 94 -15.581 -6.108 4.033 1.00 29.81 C ATOM 597 O PHE A 94 -14.802 -5.741 3.143 1.00 28.56 O ATOM 598 CB PHE A 94 -16.712 -8.326 3.733 1.00 28.60 C ATOM 599 CG PHE A 94 -17.971 -9.061 4.073 1.00 29.58 C ATOM 600 CD1 PHE A 94 -18.999 -9.157 3.145 1.00 29.99 C ATOM 601 CD2 PHE A 94 -18.147 -9.636 5.330 1.00 29.73 C ATOM 602 CE1 PHE A 94 -20.175 -9.815 3.450 1.00 30.21 C ATOM 603 CE2 PHE A 94 -19.324 -10.297 5.645 1.00 30.25 C ATOM 604 CZ PHE A 94 -20.341 -10.386 4.702 1.00 30.91 C ATOM 605 H PHE A 94 -16.668 -6.382 1.578 1.00 0.00 H ATOM 606 N LYS A 95 -15.351 -5.937 5.334 1.00 30.84 N ATOM 607 CA LYS A 95 -14.098 -5.391 5.830 1.00 31.89 C ATOM 608 C LYS A 95 -12.931 -6.249 5.350 1.00 33.40 C ATOM 609 O LYS A 95 -13.066 -7.469 5.200 1.00 33.77 O ATOM 610 CB LYS A 95 -14.106 -5.304 7.364 1.00 32.44 C ATOM 611 CG LYS A 95 -15.046 -4.240 7.901 1.00 32.90 C ATOM 612 CD LYS A 95 -15.085 -4.200 9.417 1.00 33.23 C ATOM 613 CE LYS A 95 -16.004 -3.083 9.890 1.00 33.57 C ATOM 614 NZ LYS A 95 -16.319 -3.159 11.342 1.00 34.00 N ATOM 615 HZ1 LYS A 95 -16.791 -4.063 11.546 1.00 0.00 H ATOM 616 HZ2 LYS A 95 -15.438 -3.095 11.890 1.00 0.00 H ATOM 617 HZ3 LYS A 95 -16.948 -2.372 11.601 1.00 0.00 H ATOM 618 H LYS A 95 -16.090 -6.202 6.016 1.00 0.00 H ATOM 619 N ASP A 96 -11.805 -5.591 5.087 1.00 34.88 N ATOM 620 CA ASP A 96 -10.579 -6.238 4.611 1.00 37.12 C ATOM 621 C ASP A 96 -10.191 -7.395 5.540 1.00 38.35 C ATOM 622 O ASP A 96 -10.142 -7.222 6.758 1.00 36.22 O ATOM 623 CB ASP A 96 -9.449 -5.202 4.563 1.00 38.09 C ATOM 624 CG ASP A 96 -8.201 -5.701 3.850 1.00 38.56 C ATOM 625 OD1 ASP A 96 -8.305 -6.500 2.897 1.00 40.54 O ATOM 626 OD2 ASP A 96 -7.104 -5.258 4.241 1.00 40.15 O ATOM 627 H ASP A 96 -11.794 -4.561 5.227 1.00 0.00 H ATOM 628 N GLY A 97 -9.965 -8.574 4.961 1.00 39.62 N ATOM 629 CA GLY A 97 -9.610 -9.767 5.732 1.00 40.86 C ATOM 630 C GLY A 97 -10.765 -10.626 6.229 1.00 41.74 C ATOM 631 O GLY A 97 -10.523 -11.651 6.870 1.00 43.45 O ATOM 632 H GLY A 97 -10.043 -8.649 3.927 1.00 0.00 H ATOM 633 N ILE A 98 -12.009 -10.222 5.959 1.00 40.66 N ATOM 634 CA ILE A 98 -13.180 -11.053 6.251 1.00 41.01 C ATOM 635 C ILE A 98 -13.742 -11.529 4.917 1.00 42.42 C ATOM 636 O ILE A 98 -14.104 -10.712 4.068 1.00 42.11 O ATOM 637 CB ILE A 98 -14.281 -10.297 7.031 1.00 39.88 C ATOM 638 CG1 ILE A 98 -13.713 -9.679 8.315 1.00 40.68 C ATOM 639 CG2 ILE A 98 -15.428 -11.238 7.387 1.00 39.26 C ATOM 640 CD1 ILE A 98 -14.705 -8.845 9.103 1.00 40.22 C ATOM 641 H ILE A 98 -12.151 -9.287 5.527 1.00 0.00 H ATOM 642 N GLU A 99 -13.804 -12.847 4.739 1.00 43.97 N ATOM 643 CA GLU A 99 -14.456 -13.442 3.577 1.00 45.28 C ATOM 644 C GLU A 99 -15.971 -13.415 3.784 1.00 44.28 C ATOM 645 O GLU A 99 -16.439 -13.588 4.915 1.00 42.26 O ATOM 646 CB GLU A 99 -13.986 -14.884 3.342 1.00 48.19 C ATOM 647 CG GLU A 99 -12.608 -14.996 2.708 1.00 51.75 C ATOM 648 CD GLU A 99 -12.329 -16.384 2.156 1.00 55.58 C ATOM 649 OE1 GLU A 99 -12.186 -16.519 0.920 1.00 57.55 O ATOM 650 OE2 GLU A 99 -12.270 -17.344 2.957 1.00 58.67 O ATOM 651 H GLU A 99 -13.374 -13.472 5.450 1.00 0.00 H ATOM 652 N PRO A 100 -16.744 -13.203 2.697 1.00 43.82 N ATOM 653 CA PRO A 100 -18.199 -13.155 2.777 1.00 45.15 C ATOM 654 C PRO A 100 -18.825 -14.561 2.799 1.00 46.90 C ATOM 655 O PRO A 100 -19.526 -14.956 1.865 1.00 47.35 O ATOM 656 CB PRO A 100 -18.567 -12.388 1.505 1.00 44.97 C ATOM 657 CG PRO A 100 -17.556 -12.851 0.524 1.00 43.59 C ATOM 658 CD PRO A 100 -16.283 -12.942 1.319 1.00 43.08 C ATOM 659 N MET A 101 -18.573 -15.296 3.879 1.00 49.71 N ATOM 660 CA MET A 101 -19.063 -16.663 4.040 1.00 51.54 C ATOM 661 C MET A 101 -19.203 -16.989 5.525 1.00 51.59 C ATOM 662 O MET A 101 -18.465 -16.450 6.355 1.00 45.93 O ATOM 663 CB MET A 101 -18.125 -17.659 3.345 1.00 55.09 C ATOM 664 CG MET A 101 -16.762 -17.844 4.007 1.00 57.50 C ATOM 665 SD MET A 101 -15.457 -18.413 2.887 1.00 64.35 S ATOM 666 CE MET A 101 -16.293 -19.696 1.952 1.00 63.57 C ATOM 667 H MET A 101 -18.002 -14.879 4.642 1.00 0.00 H ATOM 668 N TRP A 102 -20.154 -17.866 5.844 1.00 55.27 N ATOM 669 CA TRP A 102 -20.478 -18.224 7.237 1.00 57.69 C ATOM 670 C TRP A 102 -19.259 -18.706 8.024 1.00 57.50 C ATOM 671 O TRP A 102 -19.115 -18.381 9.203 1.00 56.97 O ATOM 672 CB TRP A 102 -21.541 -19.330 7.306 1.00 61.08 C ATOM 673 CG TRP A 102 -22.819 -19.055 6.576 1.00 63.73 C ATOM 674 CD1 TRP A 102 -23.487 -17.869 6.502 1.00 65.82 C ATOM 675 CD2 TRP A 102 -23.599 -20.005 5.838 1.00 66.01 C ATOM 676 NE1 TRP A 102 -24.630 -18.015 5.748 1.00 67.71 N ATOM 677 CE2 TRP A 102 -24.723 -19.316 5.328 1.00 67.76 C ATOM 678 CE3 TRP A 102 -23.452 -21.371 5.550 1.00 66.37 C ATOM 679 CZ2 TRP A 102 -25.702 -19.948 4.544 1.00 68.71 C ATOM 680 CZ3 TRP A 102 -24.424 -22.000 4.768 1.00 66.89 C ATOM 681 CH2 TRP A 102 -25.534 -21.286 4.276 1.00 67.72 C ATOM 682 HE1 TRP A 102 -25.312 -17.260 5.532 1.00 0.00 H ATOM 683 H TRP A 102 -20.691 -18.318 5.077 1.00 0.00 H ATOM 684 N GLU A 103 -18.390 -19.466 7.354 1.00 56.91 N ATOM 685 CA GLU A 103 -17.279 -20.174 8.000 1.00 57.92 C ATOM 686 C GLU A 103 -16.082 -19.299 8.420 1.00 55.56 C ATOM 687 O GLU A 103 -15.210 -19.776 9.151 1.00 53.99 O ATOM 688 CB GLU A 103 -16.793 -21.338 7.109 1.00 61.10 C ATOM 689 CG GLU A 103 -17.713 -22.564 7.089 1.00 63.65 C ATOM 690 CD GLU A 103 -18.950 -22.423 6.204 1.00 66.74 C ATOM 691 OE1 GLU A 103 -19.975 -23.066 6.523 1.00 70.20 O ATOM 692 OE2 GLU A 103 -18.912 -21.688 5.191 1.00 67.54 O ATOM 693 H GLU A 103 -18.506 -19.561 6.325 1.00 0.00 H ATOM 694 N ASP A 104 -16.028 -18.039 7.972 1.00 52.36 N ATOM 695 CA ASP A 104 -14.973 -17.110 8.405 1.00 48.57 C ATOM 696 C ASP A 104 -15.061 -16.891 9.920 1.00 46.83 C ATOM 697 O ASP A 104 -16.161 -16.863 10.482 1.00 44.04 O ATOM 698 CB ASP A 104 -15.092 -15.769 7.665 1.00 48.24 C ATOM 699 CG ASP A 104 -13.911 -14.830 7.928 1.00 47.51 C ATOM 700 OD1 ASP A 104 -13.822 -14.250 9.034 1.00 46.65 O ATOM 701 OD2 ASP A 104 -13.081 -14.650 7.012 1.00 47.49 O ATOM 702 H ASP A 104 -16.750 -17.708 7.301 1.00 0.00 H ATOM 703 N GLU A 105 -13.904 -16.721 10.563 1.00 45.95 N ATOM 704 CA GLU A 105 -13.825 -16.534 12.021 1.00 46.25 C ATOM 705 C GLU A 105 -14.680 -15.364 12.526 1.00 45.84 C ATOM 706 O GLU A 105 -15.343 -15.487 13.555 1.00 45.17 O ATOM 707 CB GLU A 105 -12.367 -16.342 12.466 1.00 47.16 C ATOM 708 H GLU A 105 -13.022 -16.721 10.012 1.00 0.00 H ATOM 709 N LYS A 106 -14.683 -14.249 11.790 1.00 45.14 N ATOM 710 CA LYS A 106 -15.523 -13.093 12.145 1.00 45.27 C ATOM 711 C LYS A 106 -17.026 -13.292 11.855 1.00 42.45 C ATOM 712 O LYS A 106 -17.837 -12.500 12.321 1.00 41.13 O ATOM 713 CB LYS A 106 -15.034 -11.805 11.453 1.00 47.40 C ATOM 714 CG LYS A 106 -13.556 -11.443 11.627 1.00 49.27 C ATOM 715 CD LYS A 106 -13.032 -11.528 13.060 1.00 51.10 C ATOM 716 CE LYS A 106 -13.824 -10.692 14.058 1.00 53.55 C ATOM 717 NZ LYS A 106 -13.964 -9.258 13.674 1.00 55.05 N ATOM 718 HZ1 LYS A 106 -13.020 -8.828 13.594 1.00 0.00 H ATOM 719 HZ2 LYS A 106 -14.455 -9.192 12.760 1.00 0.00 H ATOM 720 HZ3 LYS A 106 -14.514 -8.758 14.401 1.00 0.00 H ATOM 721 H LYS A 106 -14.077 -14.196 10.946 1.00 0.00 H ATOM 722 N ASN A 107 -17.391 -14.320 11.083 1.00 41.98 N ATOM 723 CA ASN A 107 -18.791 -14.632 10.755 1.00 41.29 C ATOM 724 C ASN A 107 -19.394 -15.839 11.499 1.00 41.78 C ATOM 725 O ASN A 107 -20.594 -15.822 11.786 1.00 39.74 O ATOM 726 CB ASN A 107 -18.938 -14.838 9.237 1.00 41.39 C ATOM 727 CG ASN A 107 -18.674 -13.566 8.437 1.00 41.14 C ATOM 728 OD1 ASN A 107 -18.849 -12.454 8.931 1.00 42.34 O ATOM 729 ND2 ASN A 107 -18.260 -13.732 7.190 1.00 39.20 N ATOM 730 HD22 ASN A 107 -18.124 -14.691 6.810 1.00 0.00 H ATOM 731 HD21 ASN A 107 -18.070 -12.904 6.590 1.00 0.00 H ATOM 732 H ASN A 107 -16.646 -14.932 10.693 1.00 0.00 H ATOM 733 N LYS A 108 -18.589 -16.868 11.793 1.00 44.62 N ATOM 734 CA LYS A 108 -19.040 -18.114 12.484 1.00 47.59 C ATOM 735 C LYS A 108 -20.135 -17.939 13.540 1.00 47.74 C ATOM 736 O LYS A 108 -21.214 -18.528 13.438 1.00 47.24 O ATOM 737 CB LYS A 108 -17.846 -18.805 13.157 1.00 51.17 C ATOM 738 CG LYS A 108 -17.018 -19.679 12.227 1.00 54.20 C ATOM 739 CD LYS A 108 -15.713 -20.141 12.873 1.00 55.94 C ATOM 740 CE LYS A 108 -15.923 -20.964 14.138 1.00 57.23 C ATOM 741 NZ LYS A 108 -16.886 -22.087 13.959 1.00 57.88 N ATOM 742 HZ1 LYS A 108 -17.811 -21.707 13.675 1.00 0.00 H ATOM 743 HZ2 LYS A 108 -16.533 -22.730 13.222 1.00 0.00 H ATOM 744 HZ3 LYS A 108 -16.983 -22.605 14.855 1.00 0.00 H ATOM 745 H LYS A 108 -17.587 -16.795 11.524 1.00 0.00 H ATOM 746 N ARG A 109 -19.842 -17.111 14.540 1.00 47.81 N ATOM 747 CA ARG A 109 -20.740 -16.867 15.676 1.00 48.43 C ATOM 748 C ARG A 109 -21.802 -15.789 15.403 1.00 46.53 C ATOM 749 O ARG A 109 -22.617 -15.486 16.278 1.00 43.75 O ATOM 750 CB ARG A 109 -19.910 -16.450 16.901 1.00 51.80 C ATOM 751 CG ARG A 109 -18.978 -17.531 17.444 1.00 54.74 C ATOM 752 CD ARG A 109 -17.654 -16.962 17.960 1.00 57.38 C ATOM 753 NE ARG A 109 -16.588 -17.020 16.949 1.00 59.93 N ATOM 754 CZ ARG A 109 -15.473 -16.281 16.943 1.00 61.54 C ATOM 755 NH1 ARG A 109 -15.226 -15.375 17.892 1.00 61.82 N ATOM 756 NH2 ARG A 109 -14.585 -16.448 15.961 1.00 62.24 N ATOM 757 HE ARG A 109 -16.712 -17.696 16.169 1.00 0.00 H ATOM 758 HH12 ARG A 109 -14.350 -14.815 17.861 1.00 0.00 H ATOM 759 HH11 ARG A 109 -15.909 -15.229 18.662 1.00 0.00 H ATOM 760 HH22 ARG A 109 -13.714 -15.880 15.945 1.00 0.00 H ATOM 761 HH21 ARG A 109 -14.764 -17.147 15.212 1.00 0.00 H ATOM 762 H ARG A 109 -18.930 -16.611 14.516 1.00 0.00 H ATOM 763 N GLY A 110 -21.802 -15.220 14.196 1.00 45.82 N ATOM 764 CA GLY A 110 -22.622 -14.060 13.873 1.00 44.13 C ATOM 765 C GLY A 110 -23.963 -14.377 13.238 1.00 44.47 C ATOM 766 O GLY A 110 -24.495 -15.483 13.374 1.00 44.90 O ATOM 767 H GLY A 110 -21.192 -15.621 13.456 1.00 0.00 H ATOM 768 N GLY A 111 -24.503 -13.379 12.544 1.00 41.96 N ATOM 769 CA GLY A 111 -25.816 -13.468 11.910 1.00 40.17 C ATOM 770 C GLY A 111 -26.063 -12.279 10.995 1.00 38.27 C ATOM 771 O GLY A 111 -25.143 -11.512 10.712 1.00 36.90 O ATOM 772 H GLY A 111 -23.965 -12.494 12.448 1.00 0.00 H ATOM 773 N ARG A 112 -27.303 -12.113 10.544 1.00 37.65 N ATOM 774 CA ARG A 112 -27.623 -11.066 9.580 1.00 37.91 C ATOM 775 C ARG A 112 -28.998 -10.464 9.810 1.00 37.52 C ATOM 776 O ARG A 112 -29.932 -11.173 10.160 1.00 37.75 O ATOM 777 CB ARG A 112 -27.517 -11.609 8.146 1.00 37.57 C ATOM 778 CG ARG A 112 -28.631 -12.568 7.746 1.00 38.53 C ATOM 779 CD ARG A 112 -28.409 -13.197 6.379 1.00 39.28 C ATOM 780 NE ARG A 112 -29.515 -14.093 6.030 1.00 39.89 N ATOM 781 CZ ARG A 112 -29.692 -14.691 4.848 1.00 40.89 C ATOM 782 NH1 ARG A 112 -30.746 -15.479 4.668 1.00 42.34 N ATOM 783 NH2 ARG A 112 -28.839 -14.515 3.845 1.00 41.41 N ATOM 784 HE ARG A 112 -30.225 -14.280 6.767 1.00 0.00 H ATOM 785 HH12 ARG A 112 -30.893 -15.949 3.752 1.00 0.00 H ATOM 786 HH11 ARG A 112 -31.424 -15.626 5.443 1.00 0.00 H ATOM 787 HH22 ARG A 112 -29.000 -14.992 2.935 1.00 0.00 H ATOM 788 HH21 ARG A 112 -28.010 -13.900 3.969 1.00 0.00 H ATOM 789 H ARG A 112 -28.058 -12.741 10.885 1.00 0.00 H ATOM 790 N TRP A 113 -29.098 -9.147 9.631 1.00 37.48 N ATOM 791 CA TRP A 113 -30.382 -8.468 9.500 1.00 37.55 C ATOM 792 C TRP A 113 -30.808 -8.599 8.048 1.00 39.01 C ATOM 793 O TRP A 113 -30.114 -8.107 7.170 1.00 39.10 O ATOM 794 CB TRP A 113 -30.260 -6.992 9.865 1.00 36.83 C ATOM 795 CG TRP A 113 -30.278 -6.747 11.319 1.00 35.84 C ATOM 796 CD1 TRP A 113 -29.227 -6.386 12.106 1.00 35.73 C ATOM 797 CD2 TRP A 113 -31.411 -6.854 12.177 1.00 35.20 C ATOM 798 NE1 TRP A 113 -29.639 -6.257 13.412 1.00 35.17 N ATOM 799 CE2 TRP A 113 -30.978 -6.540 13.482 1.00 35.43 C ATOM 800 CE3 TRP A 113 -32.756 -7.192 11.971 1.00 35.54 C ATOM 801 CZ2 TRP A 113 -31.847 -6.542 14.581 1.00 35.82 C ATOM 802 CZ3 TRP A 113 -33.619 -7.201 13.062 1.00 35.17 C ATOM 803 CH2 TRP A 113 -33.160 -6.873 14.351 1.00 35.22 C ATOM 804 HE1 TRP A 113 -29.034 -5.989 14.214 1.00 0.00 H ATOM 805 H TRP A 113 -28.226 -8.582 9.583 1.00 0.00 H ATOM 806 N LEU A 114 -31.938 -9.257 7.798 1.00 40.79 N ATOM 807 CA LEU A 114 -32.359 -9.580 6.436 1.00 41.54 C ATOM 808 C LEU A 114 -33.492 -8.679 5.983 1.00 40.32 C ATOM 809 O LEU A 114 -34.499 -8.533 6.683 1.00 41.08 O ATOM 810 CB LEU A 114 -32.805 -11.044 6.337 1.00 43.15 C ATOM 811 CG LEU A 114 -33.230 -11.528 4.938 1.00 43.56 C ATOM 812 CD1 LEU A 114 -32.030 -11.634 4.006 1.00 43.04 C ATOM 813 CD2 LEU A 114 -33.969 -12.857 5.022 1.00 44.98 C ATOM 814 H LEU A 114 -32.539 -9.550 8.595 1.00 0.00 H ATOM 815 N ILE A 115 -33.310 -8.084 4.807 1.00 39.74 N ATOM 816 CA ILE A 115 -34.366 -7.383 4.093 1.00 41.36 C ATOM 817 C ILE A 115 -34.749 -8.275 2.914 1.00 41.34 C ATOM 818 O ILE A 115 -33.891 -8.630 2.106 1.00 36.83 O ATOM 819 CB ILE A 115 -33.893 -6.006 3.557 1.00 42.66 C ATOM 820 CG1 ILE A 115 -33.075 -5.232 4.608 1.00 43.77 C ATOM 821 CG2 ILE A 115 -35.078 -5.181 3.066 1.00 42.55 C ATOM 822 CD1 ILE A 115 -33.761 -5.039 5.940 1.00 44.10 C ATOM 823 H ILE A 115 -32.364 -8.122 4.376 1.00 0.00 H ATOM 824 N THR A 116 -36.021 -8.660 2.836 1.00 44.37 N ATOM 825 CA THR A 116 -36.549 -9.378 1.674 1.00 47.50 C ATOM 826 C THR A 116 -37.355 -8.406 0.827 1.00 49.69 C ATOM 827 O THR A 116 -38.231 -7.716 1.342 1.00 51.29 O ATOM 828 CB THR A 116 -37.452 -10.557 2.080 1.00 48.10 C ATOM 829 OG1 THR A 116 -38.488 -10.094 2.958 1.00 49.83 O ATOM 830 CG2 THR A 116 -36.637 -11.647 2.775 1.00 47.60 C ATOM 831 HG1 THR A 116 -39.031 -9.409 2.493 1.00 0.00 H ATOM 832 H THR A 116 -36.661 -8.444 3.627 1.00 0.00 H ATOM 833 N LEU A 117 -37.038 -8.343 -0.464 1.00 52.21 N ATOM 834 CA LEU A 117 -37.792 -7.540 -1.421 1.00 53.87 C ATOM 835 C LEU A 117 -38.719 -8.471 -2.197 1.00 55.60 C ATOM 836 O LEU A 117 -38.390 -9.643 -2.400 1.00 56.65 O ATOM 837 CB LEU A 117 -36.844 -6.818 -2.391 1.00 54.25 C ATOM 838 CG LEU A 117 -35.990 -5.652 -1.867 1.00 54.76 C ATOM 839 CD1 LEU A 117 -34.920 -6.106 -0.881 1.00 55.45 C ATOM 840 CD2 LEU A 117 -35.339 -4.914 -3.029 1.00 54.16 C ATOM 841 H LEU A 117 -36.220 -8.888 -0.804 1.00 0.00 H ATOM 842 N ASN A 118 -39.876 -7.961 -2.616 1.00 58.05 N ATOM 843 CA ASN A 118 -40.719 -8.680 -3.587 1.00 60.27 C ATOM 844 C ASN A 118 -40.189 -8.425 -5.003 1.00 61.23 C ATOM 845 O ASN A 118 -39.308 -7.580 -5.200 1.00 59.66 O ATOM 846 CB ASN A 118 -42.216 -8.327 -3.444 1.00 61.39 C ATOM 847 CG ASN A 118 -42.515 -6.853 -3.673 1.00 62.48 C ATOM 848 OD1 ASN A 118 -42.476 -6.358 -4.802 1.00 64.02 O ATOM 849 ND2 ASN A 118 -42.844 -6.149 -2.599 1.00 64.69 N ATOM 850 HD22 ASN A 118 -42.865 -6.605 -1.665 1.00 0.00 H ATOM 851 HD21 ASN A 118 -43.081 -5.141 -2.691 1.00 0.00 H ATOM 852 H ASN A 118 -40.190 -7.039 -2.251 1.00 0.00 H ATOM 853 N LYS A 119 -40.717 -9.165 -5.977 1.00 61.10 N ATOM 854 CA LYS A 119 -40.229 -9.096 -7.363 1.00 61.29 C ATOM 855 C LYS A 119 -40.398 -7.710 -8.011 1.00 60.93 C ATOM 856 O LYS A 119 -39.542 -7.289 -8.790 1.00 58.68 O ATOM 857 CB LYS A 119 -40.906 -10.168 -8.225 1.00 61.53 C ATOM 858 H LYS A 119 -41.499 -9.812 -5.750 1.00 0.00 H ATOM 859 N GLN A 120 -41.488 -7.012 -7.681 1.00 61.18 N ATOM 860 CA GLN A 120 -41.749 -5.657 -8.201 1.00 61.13 C ATOM 861 C GLN A 120 -40.751 -4.606 -7.696 1.00 61.95 C ATOM 862 O GLN A 120 -40.435 -3.653 -8.415 1.00 63.31 O ATOM 863 CB GLN A 120 -43.174 -5.211 -7.854 1.00 60.06 C ATOM 864 H GLN A 120 -42.179 -7.441 -7.033 1.00 0.00 H ATOM 865 N GLN A 121 -40.251 -4.792 -6.473 1.00 61.11 N ATOM 866 CA GLN A 121 -39.304 -3.851 -5.855 1.00 60.92 C ATOM 867 C GLN A 121 -37.910 -3.774 -6.497 1.00 58.84 C ATOM 868 O GLN A 121 -37.149 -2.867 -6.160 1.00 58.69 O ATOM 869 CB GLN A 121 -39.135 -4.158 -4.364 1.00 61.01 C ATOM 870 CG GLN A 121 -40.337 -3.813 -3.512 1.00 61.93 C ATOM 871 CD GLN A 121 -40.090 -4.121 -2.052 1.00 63.80 C ATOM 872 OE1 GLN A 121 -40.530 -5.152 -1.540 1.00 65.88 O ATOM 873 NE2 GLN A 121 -39.357 -3.240 -1.379 1.00 61.71 N ATOM 874 HE22 GLN A 121 -39.007 -2.383 -1.854 1.00 0.00 H ATOM 875 HE21 GLN A 121 -39.133 -3.407 -0.377 1.00 0.00 H ATOM 876 H GLN A 121 -40.542 -5.634 -5.936 1.00 0.00 H ATOM 877 N ARG A 122 -37.561 -4.704 -7.390 1.00 58.27 N ATOM 878 CA ARG A 122 -36.265 -4.654 -8.086 1.00 57.82 C ATOM 879 C ARG A 122 -36.034 -3.325 -8.807 1.00 57.62 C ATOM 880 O ARG A 122 -34.919 -2.805 -8.787 1.00 58.22 O ATOM 881 CB ARG A 122 -36.111 -5.806 -9.085 1.00 58.43 C ATOM 882 CG ARG A 122 -34.730 -5.851 -9.736 1.00 59.08 C ATOM 883 CD ARG A 122 -34.514 -7.076 -10.602 1.00 59.20 C ATOM 884 NE ARG A 122 -34.301 -8.289 -9.815 1.00 58.43 N ATOM 885 CZ ARG A 122 -33.986 -9.481 -10.326 1.00 57.54 C ATOM 886 NH1 ARG A 122 -33.838 -9.647 -11.640 1.00 57.81 N ATOM 887 NH2 ARG A 122 -33.819 -10.522 -9.514 1.00 55.43 N ATOM 888 HE ARG A 122 -34.402 -8.218 -8.782 1.00 0.00 H ATOM 889 HH12 ARG A 122 -33.592 -10.583 -12.022 1.00 0.00 H ATOM 890 HH11 ARG A 122 -33.968 -8.841 -12.284 1.00 0.00 H ATOM 891 HH22 ARG A 122 -33.573 -11.453 -9.906 1.00 0.00 H ATOM 892 HH21 ARG A 122 -33.934 -10.404 -8.487 1.00 0.00 H ATOM 893 H ARG A 122 -38.220 -5.481 -7.598 1.00 0.00 H ATOM 894 N ARG A 123 -37.080 -2.796 -9.441 1.00 56.43 N ATOM 895 CA ARG A 123 -37.003 -1.516 -10.148 1.00 55.75 C ATOM 896 C ARG A 123 -36.950 -0.332 -9.181 1.00 54.45 C ATOM 897 O ARG A 123 -36.076 0.529 -9.299 1.00 56.11 O ATOM 898 CB ARG A 123 -38.194 -1.353 -11.101 1.00 55.91 C ATOM 899 H ARG A 123 -37.984 -3.311 -9.433 1.00 0.00 H ATOM 900 N SER A 124 -37.878 -0.303 -8.224 1.00 52.53 N ATOM 901 CA SER A 124 -38.036 0.847 -7.328 1.00 51.25 C ATOM 902 C SER A 124 -37.021 0.928 -6.179 1.00 49.37 C ATOM 903 O SER A 124 -36.558 2.022 -5.861 1.00 51.48 O ATOM 904 CB SER A 124 -39.456 0.880 -6.750 1.00 51.10 C ATOM 905 OG SER A 124 -39.721 -0.279 -5.983 1.00 51.91 O ATOM 906 HG SER A 124 -39.075 -0.333 -5.235 1.00 0.00 H ATOM 907 H SER A 124 -38.509 -1.121 -8.109 1.00 0.00 H ATOM 908 N ASP A 125 -36.687 -0.209 -5.559 1.00 46.38 N ATOM 909 CA ASP A 125 -35.973 -0.219 -4.262 1.00 44.19 C ATOM 910 C ASP A 125 -34.582 -0.880 -4.184 1.00 41.54 C ATOM 911 O ASP A 125 -33.811 -0.532 -3.288 1.00 40.70 O ATOM 912 CB ASP A 125 -36.860 -0.870 -3.190 1.00 44.94 C ATOM 913 CG ASP A 125 -38.138 -0.083 -2.904 1.00 46.35 C ATOM 914 OD1 ASP A 125 -38.232 1.112 -3.265 1.00 45.89 O ATOM 915 OD2 ASP A 125 -39.057 -0.677 -2.298 1.00 48.15 O ATOM 916 H ASP A 125 -36.937 -1.116 -6.002 1.00 0.00 H ATOM 917 N LEU A 126 -34.264 -1.825 -5.072 1.00 37.92 N ATOM 918 CA LEU A 126 -33.056 -2.646 -4.919 1.00 35.94 C ATOM 919 C LEU A 126 -31.762 -1.831 -4.916 1.00 34.88 C ATOM 920 O LEU A 126 -30.983 -1.903 -3.963 1.00 33.54 O ATOM 921 CB LEU A 126 -32.968 -3.722 -6.010 1.00 35.62 C ATOM 922 CG LEU A 126 -31.746 -4.658 -5.970 1.00 34.76 C ATOM 923 CD1 LEU A 126 -31.691 -5.443 -4.671 1.00 34.82 C ATOM 924 CD2 LEU A 126 -31.763 -5.604 -7.159 1.00 34.96 C ATOM 925 H LEU A 126 -34.886 -1.983 -5.890 1.00 0.00 H ATOM 926 N ASP A 127 -31.544 -1.076 -5.989 1.00 33.11 N ATOM 927 CA ASP A 127 -30.321 -0.283 -6.152 1.00 32.50 C ATOM 928 C ASP A 127 -30.205 0.775 -5.064 1.00 31.86 C ATOM 929 O ASP A 127 -29.125 0.970 -4.492 1.00 31.25 O ATOM 930 CB ASP A 127 -30.284 0.386 -7.525 1.00 32.68 C ATOM 931 CG ASP A 127 -30.290 -0.618 -8.673 1.00 33.60 C ATOM 932 OD1 ASP A 127 -29.825 -1.763 -8.488 1.00 33.34 O ATOM 933 OD2 ASP A 127 -30.769 -0.253 -9.764 1.00 35.24 O ATOM 934 H ASP A 127 -32.265 -1.047 -6.738 1.00 0.00 H ATOM 935 N ARG A 128 -31.333 1.426 -4.783 1.00 31.00 N ATOM 936 CA ARG A 128 -31.449 2.447 -3.748 1.00 32.64 C ATOM 937 C ARG A 128 -31.098 1.882 -2.372 1.00 30.87 C ATOM 938 O ARG A 128 -30.294 2.480 -1.654 1.00 30.34 O ATOM 939 CB ARG A 128 -32.867 3.043 -3.765 1.00 36.55 C ATOM 940 CG ARG A 128 -33.141 4.136 -2.738 1.00 40.57 C ATOM 941 CD ARG A 128 -34.403 4.928 -3.071 1.00 43.44 C ATOM 942 NE ARG A 128 -35.629 4.126 -2.952 1.00 45.86 N ATOM 943 CZ ARG A 128 -36.340 3.944 -1.832 1.00 47.97 C ATOM 944 NH1 ARG A 128 -37.437 3.193 -1.867 1.00 47.81 N ATOM 945 NH2 ARG A 128 -35.974 4.493 -0.671 1.00 49.32 N ATOM 946 HE ARG A 128 -35.975 3.658 -3.814 1.00 0.00 H ATOM 947 HH12 ARG A 128 -37.995 3.047 -1.002 1.00 0.00 H ATOM 948 HH11 ARG A 128 -37.737 2.752 -2.760 1.00 0.00 H ATOM 949 HH22 ARG A 128 -36.546 4.334 0.183 1.00 0.00 H ATOM 950 HH21 ARG A 128 -35.117 5.080 -0.621 1.00 0.00 H ATOM 951 H ARG A 128 -32.183 1.192 -5.335 1.00 0.00 H ATOM 952 N PHE A 129 -31.668 0.725 -2.022 1.00 29.24 N ATOM 953 CA PHE A 129 -31.374 0.079 -0.726 1.00 28.78 C ATOM 954 C PHE A 129 -29.928 -0.412 -0.620 1.00 27.31 C ATOM 955 O PHE A 129 -29.336 -0.344 0.462 1.00 25.78 O ATOM 956 CB PHE A 129 -32.323 -1.108 -0.431 1.00 28.78 C ATOM 957 CG PHE A 129 -33.757 -0.728 -0.107 1.00 29.14 C ATOM 958 CD1 PHE A 129 -34.177 0.605 0.050 1.00 30.13 C ATOM 959 CD2 PHE A 129 -34.698 -1.740 0.086 1.00 30.00 C ATOM 960 CE1 PHE A 129 -35.502 0.902 0.360 1.00 30.70 C ATOM 961 CE2 PHE A 129 -36.023 -1.442 0.402 1.00 30.71 C ATOM 962 CZ PHE A 129 -36.427 -0.121 0.533 1.00 30.37 C ATOM 963 H PHE A 129 -32.334 0.269 -2.677 1.00 0.00 H ATOM 964 N TRP A 130 -29.376 -0.917 -1.724 1.00 26.29 N ATOM 965 CA TRP A 130 -28.007 -1.432 -1.732 1.00 26.86 C ATOM 966 C TRP A 130 -26.969 -0.320 -1.563 1.00 26.74 C ATOM 967 O TRP A 130 -26.031 -0.474 -0.774 1.00 26.73 O ATOM 968 CB TRP A 130 -27.710 -2.254 -2.994 1.00 27.22 C ATOM 969 CG TRP A 130 -26.310 -2.806 -3.020 1.00 27.30 C ATOM 970 CD1 TRP A 130 -25.358 -2.583 -3.972 1.00 27.13 C ATOM 971 CD2 TRP A 130 -25.696 -3.640 -2.030 1.00 27.04 C ATOM 972 NE1 TRP A 130 -24.197 -3.232 -3.645 1.00 26.92 N ATOM 973 CE2 TRP A 130 -24.375 -3.888 -2.455 1.00 27.57 C ATOM 974 CE3 TRP A 130 -26.135 -4.208 -0.828 1.00 28.15 C ATOM 975 CZ2 TRP A 130 -23.486 -4.688 -1.723 1.00 27.64 C ATOM 976 CZ3 TRP A 130 -25.246 -5.005 -0.096 1.00 27.66 C ATOM 977 CH2 TRP A 130 -23.942 -5.234 -0.550 1.00 27.22 C ATOM 978 HE1 TRP A 130 -23.323 -3.228 -4.208 1.00 0.00 H ATOM 979 H TRP A 130 -29.933 -0.945 -2.602 1.00 0.00 H ATOM 980 N LEU A 131 -27.139 0.784 -2.291 1.00 25.87 N ATOM 981 CA LEU A 131 -26.274 1.956 -2.129 1.00 26.34 C ATOM 982 C LEU A 131 -26.296 2.480 -0.697 1.00 25.92 C ATOM 983 O LEU A 131 -25.247 2.765 -0.123 1.00 24.92 O ATOM 984 CB LEU A 131 -26.649 3.088 -3.099 1.00 27.14 C ATOM 985 CG LEU A 131 -25.863 4.407 -2.950 1.00 27.96 C ATOM 986 CD1 LEU A 131 -24.354 4.183 -2.963 1.00 28.52 C ATOM 987 CD2 LEU A 131 -26.250 5.396 -4.039 1.00 28.30 C ATOM 988 H LEU A 131 -27.906 0.814 -2.993 1.00 0.00 H ATOM 989 N GLU A 132 -27.488 2.597 -0.127 1.00 25.36 N ATOM 990 CA GLU A 132 -27.628 3.097 1.237 1.00 26.71 C ATOM 991 C GLU A 132 -27.003 2.151 2.270 1.00 26.40 C ATOM 992 O GLU A 132 -26.488 2.605 3.299 1.00 26.62 O ATOM 993 CB GLU A 132 -29.104 3.368 1.568 1.00 27.93 C ATOM 994 CG GLU A 132 -29.317 4.353 2.712 1.00 28.73 C ATOM 995 CD GLU A 132 -28.773 5.743 2.422 1.00 29.55 C ATOM 996 OE1 GLU A 132 -28.300 6.385 3.375 1.00 31.72 O ATOM 997 OE2 GLU A 132 -28.808 6.210 1.260 1.00 29.66 O ATOM 998 H GLU A 132 -28.338 2.328 -0.662 1.00 0.00 H ATOM 999 N THR A 133 -27.055 0.845 1.987 1.00 25.34 N ATOM 1000 CA THR A 133 -26.386 -0.177 2.792 1.00 23.95 C ATOM 1001 C THR A 133 -24.871 0.028 2.739 1.00 23.94 C ATOM 1002 O THR A 133 -24.218 0.051 3.782 1.00 23.19 O ATOM 1003 CB THR A 133 -26.766 -1.610 2.315 1.00 23.66 C ATOM 1004 OG1 THR A 133 -28.184 -1.805 2.452 1.00 23.65 O ATOM 1005 CG2 THR A 133 -26.042 -2.678 3.099 1.00 23.75 C ATOM 1006 HG1 THR A 133 -28.663 -1.137 1.900 1.00 0.00 H ATOM 1007 H THR A 133 -27.598 0.541 1.154 1.00 0.00 H ATOM 1008 N LEU A 134 -24.328 0.196 1.532 1.00 23.43 N ATOM 1009 CA LEU A 134 -22.896 0.490 1.342 1.00 24.32 C ATOM 1010 C LEU A 134 -22.459 1.733 2.127 1.00 24.77 C ATOM 1011 O LEU A 134 -21.386 1.737 2.739 1.00 24.60 O ATOM 1012 CB LEU A 134 -22.549 0.690 -0.143 1.00 24.04 C ATOM 1013 CG LEU A 134 -22.711 -0.492 -1.102 1.00 24.47 C ATOM 1014 CD1 LEU A 134 -22.638 -0.018 -2.547 1.00 24.82 C ATOM 1015 CD2 LEU A 134 -21.674 -1.574 -0.848 1.00 24.58 C ATOM 1016 H LEU A 134 -24.938 0.117 0.693 1.00 0.00 H ATOM 1017 N LEU A 135 -23.295 2.773 2.112 1.00 25.24 N ATOM 1018 CA LEU A 135 -23.003 4.006 2.850 1.00 26.06 C ATOM 1019 C LEU A 135 -23.037 3.808 4.367 1.00 26.35 C ATOM 1020 O LEU A 135 -22.181 4.349 5.066 1.00 27.55 O ATOM 1021 CB LEU A 135 -23.943 5.137 2.433 1.00 25.83 C ATOM 1022 CG LEU A 135 -23.849 5.572 0.971 1.00 25.47 C ATOM 1023 CD1 LEU A 135 -24.944 6.573 0.648 1.00 25.60 C ATOM 1024 CD2 LEU A 135 -22.475 6.121 0.632 1.00 25.67 C ATOM 1025 H LEU A 135 -24.176 2.707 1.563 1.00 0.00 H ATOM 1026 N CYS A 136 -23.993 3.023 4.868 1.00 27.19 N ATOM 1027 CA CYS A 136 -24.016 2.639 6.299 1.00 27.78 C ATOM 1028 C CYS A 136 -22.719 1.929 6.735 1.00 28.22 C ATOM 1029 O CYS A 136 -22.230 2.149 7.849 1.00 28.18 O ATOM 1030 CB CYS A 136 -25.216 1.740 6.627 1.00 28.29 C ATOM 1031 SG CYS A 136 -26.843 2.536 6.590 1.00 29.13 S ATOM 1032 H CYS A 136 -24.742 2.672 4.237 1.00 0.00 H ATOM 1033 N LEU A 137 -22.176 1.084 5.856 1.00 28.13 N ATOM 1034 CA LEU A 137 -20.952 0.348 6.132 1.00 27.60 C ATOM 1035 C LEU A 137 -19.740 1.264 6.146 1.00 26.51 C ATOM 1036 O LEU A 137 -19.086 1.406 7.183 1.00 24.90 O ATOM 1037 CB LEU A 137 -20.733 -0.776 5.108 1.00 29.33 C ATOM 1038 CG LEU A 137 -21.731 -1.936 5.033 1.00 30.44 C ATOM 1039 CD1 LEU A 137 -21.221 -3.034 4.113 1.00 30.25 C ATOM 1040 CD2 LEU A 137 -22.023 -2.513 6.394 1.00 31.68 C ATOM 1041 H LEU A 137 -22.646 0.947 4.939 1.00 0.00 H ATOM 1042 N ILE A 138 -19.452 1.902 5.007 1.00 25.49 N ATOM 1043 CA ILE A 138 -18.227 2.699 4.870 1.00 24.71 C ATOM 1044 C ILE A 138 -18.264 3.950 5.756 1.00 24.37 C ATOM 1045 O ILE A 138 -17.219 4.427 6.184 1.00 23.55 O ATOM 1046 CB ILE A 138 -17.880 3.068 3.396 1.00 24.52 C ATOM 1047 CG1 ILE A 138 -18.795 4.166 2.837 1.00 24.30 C ATOM 1048 CG2 ILE A 138 -17.890 1.824 2.516 1.00 24.49 C ATOM 1049 CD1 ILE A 138 -18.473 4.578 1.413 1.00 24.42 C ATOM 1050 H ILE A 138 -20.108 1.832 4.203 1.00 0.00 H ATOM 1051 N GLY A 139 -19.468 4.451 6.037 1.00 24.05 N ATOM 1052 CA GLY A 139 -19.656 5.595 6.926 1.00 24.25 C ATOM 1053 C GLY A 139 -19.650 5.295 8.415 1.00 24.70 C ATOM 1054 O GLY A 139 -19.733 6.229 9.219 1.00 24.59 O ATOM 1055 H GLY A 139 -20.306 4.010 5.606 1.00 0.00 H ATOM 1056 N GLU A 140 -19.558 4.016 8.789 1.00 24.71 N ATOM 1057 CA GLU A 140 -19.541 3.589 10.197 1.00 26.84 C ATOM 1058 C GLU A 140 -20.746 4.155 10.942 1.00 26.94 C ATOM 1059 O GLU A 140 -20.615 4.741 12.010 1.00 26.70 O ATOM 1060 CB GLU A 140 -18.227 3.984 10.893 1.00 28.13 C ATOM 1061 CG GLU A 140 -16.947 3.558 10.172 1.00 29.04 C ATOM 1062 CD GLU A 140 -16.724 2.055 10.106 1.00 29.97 C ATOM 1063 OE1 GLU A 140 -17.229 1.318 10.979 1.00 33.26 O ATOM 1064 OE2 GLU A 140 -16.003 1.602 9.190 1.00 29.91 O ATOM 1065 H GLU A 140 -19.495 3.287 8.050 1.00 0.00 H ATOM 1066 N SER A 141 -21.927 3.951 10.361 1.00 27.53 N ATOM 1067 CA SER A 141 -23.141 4.655 10.778 1.00 28.47 C ATOM 1068 C SER A 141 -23.812 4.136 12.055 1.00 28.15 C ATOM 1069 O SER A 141 -24.814 4.712 12.475 1.00 28.70 O ATOM 1070 CB SER A 141 -24.166 4.656 9.631 1.00 28.97 C ATOM 1071 OG SER A 141 -23.660 5.361 8.510 1.00 30.93 O ATOM 1072 HG SER A 141 -24.333 5.350 7.784 1.00 0.00 H ATOM 1073 H SER A 141 -21.989 3.265 9.581 1.00 0.00 H ATOM 1074 N PHE A 142 -23.271 3.079 12.669 1.00 28.70 N ATOM 1075 CA PHE A 142 -23.873 2.449 13.850 1.00 29.58 C ATOM 1076 C PHE A 142 -23.159 2.772 15.170 1.00 30.62 C ATOM 1077 O PHE A 142 -23.199 1.975 16.107 1.00 29.72 O ATOM 1078 CB PHE A 142 -23.965 0.933 13.616 1.00 29.00 C ATOM 1079 CG PHE A 142 -24.625 0.575 12.305 1.00 29.48 C ATOM 1080 CD1 PHE A 142 -25.951 0.922 12.070 1.00 28.80 C ATOM 1081 CD2 PHE A 142 -23.917 -0.065 11.298 1.00 29.09 C ATOM 1082 CE1 PHE A 142 -26.565 0.610 10.863 1.00 29.38 C ATOM 1083 CE2 PHE A 142 -24.521 -0.378 10.090 1.00 29.93 C ATOM 1084 CZ PHE A 142 -25.849 -0.040 9.870 1.00 29.29 C ATOM 1085 H PHE A 142 -22.385 2.686 12.293 1.00 0.00 H ATOM 1086 N ASP A 143 -22.540 3.955 15.237 1.00 33.07 N ATOM 1087 CA ASP A 143 -21.902 4.492 16.454 1.00 35.51 C ATOM 1088 C ASP A 143 -20.821 3.541 17.013 1.00 37.16 C ATOM 1089 O ASP A 143 -19.940 3.132 16.259 1.00 35.51 O ATOM 1090 CB ASP A 143 -22.976 4.900 17.480 1.00 36.23 C ATOM 1091 CG ASP A 143 -23.979 5.897 16.909 1.00 38.36 C ATOM 1092 OD1 ASP A 143 -23.601 7.061 16.656 1.00 39.56 O ATOM 1093 OD2 ASP A 143 -25.151 5.516 16.705 1.00 41.61 O ATOM 1094 H ASP A 143 -22.506 4.535 14.374 1.00 0.00 H ATOM 1095 N ASP A 144 -20.893 3.163 18.295 1.00 40.94 N ATOM 1096 CA ASP A 144 -19.916 2.244 18.899 1.00 43.18 C ATOM 1097 C ASP A 144 -19.998 0.833 18.302 1.00 42.79 C ATOM 1098 O ASP A 144 -18.992 0.118 18.263 1.00 43.40 O ATOM 1099 CB ASP A 144 -20.122 2.145 20.418 1.00 46.94 C ATOM 1100 CG ASP A 144 -19.995 3.493 21.123 1.00 50.59 C ATOM 1101 OD1 ASP A 144 -18.879 4.061 21.142 1.00 52.90 O ATOM 1102 OD2 ASP A 144 -21.018 3.981 21.660 1.00 52.70 O ATOM 1103 H ASP A 144 -21.666 3.532 18.884 1.00 0.00 H ATOM 1104 N TYR A 145 -21.183 0.451 17.821 1.00 40.39 N ATOM 1105 CA TYR A 145 -21.457 -0.924 17.391 1.00 39.99 C ATOM 1106 C TYR A 145 -21.120 -1.220 15.930 1.00 38.25 C ATOM 1107 O TYR A 145 -21.316 -2.346 15.479 1.00 35.33 O ATOM 1108 CB TYR A 145 -22.917 -1.282 17.702 1.00 41.48 C ATOM 1109 CG TYR A 145 -23.255 -1.063 19.164 1.00 43.81 C ATOM 1110 CD1 TYR A 145 -22.649 -1.831 20.154 1.00 45.27 C ATOM 1111 CD2 TYR A 145 -24.154 -0.073 19.562 1.00 45.78 C ATOM 1112 CE1 TYR A 145 -22.937 -1.636 21.497 1.00 47.85 C ATOM 1113 CE2 TYR A 145 -24.451 0.131 20.907 1.00 47.60 C ATOM 1114 CZ TYR A 145 -23.838 -0.653 21.868 1.00 47.88 C ATOM 1115 OH TYR A 145 -24.112 -0.463 23.203 1.00 53.20 O ATOM 1116 HH TYR A 145 -23.588 -1.108 23.741 1.00 0.00 H ATOM 1117 H TYR A 145 -21.943 1.157 17.748 1.00 0.00 H ATOM 1118 N SER A 146 -20.599 -0.233 15.198 1.00 38.06 N ATOM 1119 CA SER A 146 -20.057 -0.478 13.851 1.00 38.76 C ATOM 1120 C SER A 146 -18.878 -1.475 13.811 1.00 38.21 C ATOM 1121 O SER A 146 -18.620 -2.065 12.764 1.00 36.93 O ATOM 1122 CB SER A 146 -19.676 0.837 13.154 1.00 39.77 C ATOM 1123 OG SER A 146 -20.817 1.432 12.550 1.00 39.67 O ATOM 1124 HG SER A 146 -21.195 0.811 11.879 1.00 0.00 H ATOM 1125 H SER A 146 -20.575 0.731 15.588 1.00 0.00 H ATOM 1126 N ASP A 147 -18.179 -1.659 14.934 1.00 38.57 N ATOM 1127 CA ASP A 147 -17.186 -2.742 15.077 1.00 40.28 C ATOM 1128 C ASP A 147 -17.767 -4.161 14.953 1.00 37.53 C ATOM 1129 O ASP A 147 -17.050 -5.081 14.564 1.00 37.37 O ATOM 1130 CB ASP A 147 -16.435 -2.640 16.424 1.00 44.36 C ATOM 1131 CG ASP A 147 -15.291 -1.639 16.392 1.00 47.23 C ATOM 1132 OD1 ASP A 147 -14.484 -1.667 15.435 1.00 51.22 O ATOM 1133 OD2 ASP A 147 -15.183 -0.834 17.341 1.00 51.84 O ATOM 1134 H ASP A 147 -18.340 -1.017 15.736 1.00 0.00 H ATOM 1135 N ASP A 148 -19.038 -4.340 15.311 1.00 35.00 N ATOM 1136 CA ASP A 148 -19.721 -5.626 15.133 1.00 34.71 C ATOM 1137 C ASP A 148 -20.048 -5.942 13.669 1.00 35.26 C ATOM 1138 O ASP A 148 -20.207 -7.109 13.315 1.00 35.60 O ATOM 1139 CB ASP A 148 -21.004 -5.699 15.970 1.00 35.30 C ATOM 1140 CG ASP A 148 -20.756 -6.210 17.375 1.00 35.90 C ATOM 1141 OD1 ASP A 148 -19.897 -5.631 18.067 1.00 36.61 O ATOM 1142 OD2 ASP A 148 -21.415 -7.195 17.776 1.00 36.08 O ATOM 1143 H ASP A 148 -19.561 -3.544 15.729 1.00 0.00 H ATOM 1144 N VAL A 149 -20.137 -4.915 12.825 1.00 33.58 N ATOM 1145 CA VAL A 149 -20.490 -5.100 11.420 1.00 33.73 C ATOM 1146 C VAL A 149 -19.318 -5.730 10.673 1.00 33.48 C ATOM 1147 O VAL A 149 -18.202 -5.208 10.715 1.00 35.51 O ATOM 1148 CB VAL A 149 -20.888 -3.765 10.758 1.00 32.94 C ATOM 1149 CG1 VAL A 149 -21.233 -3.972 9.287 1.00 33.79 C ATOM 1150 CG2 VAL A 149 -22.064 -3.150 11.500 1.00 32.68 C ATOM 1151 H VAL A 149 -19.950 -3.954 13.177 1.00 0.00 H ATOM 1152 N CYS A 150 -19.574 -6.865 10.026 1.00 32.37 N ATOM 1153 CA CYS A 150 -18.584 -7.531 9.178 1.00 33.17 C ATOM 1154 C CYS A 150 -18.709 -7.084 7.727 1.00 31.76 C ATOM 1155 O CYS A 150 -17.706 -6.849 7.048 1.00 31.91 O ATOM 1156 CB CYS A 150 -18.758 -9.049 9.253 1.00 34.98 C ATOM 1157 SG CYS A 150 -18.594 -9.711 10.928 1.00 35.90 S ATOM 1158 H CYS A 150 -20.515 -7.296 10.127 1.00 0.00 H ATOM 1159 N GLY A 151 -19.944 -6.990 7.251 1.00 31.01 N ATOM 1160 CA GLY A 151 -20.198 -6.557 5.890 1.00 30.12 C ATOM 1161 C GLY A 151 -21.653 -6.654 5.505 1.00 29.37 C ATOM 1162 O GLY A 151 -22.532 -6.699 6.370 1.00 29.13 O ATOM 1163 H GLY A 151 -20.747 -7.232 7.867 1.00 0.00 H ATOM 1164 N ALA A 152 -21.901 -6.678 4.197 1.00 28.80 N ATOM 1165 CA ALA A 152 -23.255 -6.810 3.663 1.00 28.65 C ATOM 1166 C ALA A 152 -23.279 -7.565 2.342 1.00 28.16 C ATOM 1167 O ALA A 152 -22.290 -7.601 1.618 1.00 27.46 O ATOM 1168 CB ALA A 152 -23.898 -5.447 3.489 1.00 28.65 C ATOM 1169 H ALA A 152 -21.104 -6.600 3.533 1.00 0.00 H ATOM 1170 N VAL A 153 -24.436 -8.148 2.044 1.00 29.35 N ATOM 1171 CA VAL A 153 -24.629 -8.989 0.866 1.00 29.40 C ATOM 1172 C VAL A 153 -25.968 -8.652 0.238 1.00 29.42 C ATOM 1173 O VAL A 153 -26.963 -8.494 0.949 1.00 28.94 O ATOM 1174 CB VAL A 153 -24.645 -10.495 1.235 1.00 29.85 C ATOM 1175 CG1 VAL A 153 -24.745 -11.368 -0.017 1.00 29.75 C ATOM 1176 CG2 VAL A 153 -23.409 -10.872 2.041 1.00 29.64 C ATOM 1177 H VAL A 153 -25.244 -7.998 2.682 1.00 0.00 H ATOM 1178 N VAL A 154 -25.981 -8.554 -1.090 1.00 29.32 N ATOM 1179 CA VAL A 154 -27.220 -8.441 -1.860 1.00 29.81 C ATOM 1180 C VAL A 154 -27.331 -9.678 -2.756 1.00 31.10 C ATOM 1181 O VAL A 154 -26.407 -9.994 -3.503 1.00 30.62 O ATOM 1182 CB VAL A 154 -27.336 -7.119 -2.680 1.00 29.32 C ATOM 1183 CG1 VAL A 154 -26.113 -6.838 -3.535 1.00 28.51 C ATOM 1184 CG2 VAL A 154 -28.592 -7.116 -3.548 1.00 29.69 C ATOM 1185 H VAL A 154 -25.075 -8.558 -1.600 1.00 0.00 H ATOM 1186 N ASN A 155 -28.457 -10.380 -2.644 1.00 32.18 N ATOM 1187 CA ASN A 155 -28.753 -11.541 -3.473 1.00 33.30 C ATOM 1188 C ASN A 155 -29.742 -11.130 -4.551 1.00 34.53 C ATOM 1189 O ASN A 155 -30.839 -10.660 -4.237 1.00 34.83 O ATOM 1190 CB ASN A 155 -29.366 -12.662 -2.631 1.00 32.40 C ATOM 1191 CG ASN A 155 -28.534 -13.006 -1.416 1.00 32.14 C ATOM 1192 OD1 ASN A 155 -29.001 -12.879 -0.285 1.00 32.96 O ATOM 1193 ND2 ASN A 155 -27.301 -13.442 -1.638 1.00 31.41 N ATOM 1194 HD22 ASN A 155 -26.949 -13.533 -2.612 1.00 0.00 H ATOM 1195 HD21 ASN A 155 -26.686 -13.693 -0.838 1.00 0.00 H ATOM 1196 H ASN A 155 -29.157 -10.086 -1.933 1.00 0.00 H ATOM 1197 N VAL A 156 -29.348 -11.296 -5.811 1.00 36.75 N ATOM 1198 CA VAL A 156 -30.232 -11.048 -6.953 1.00 39.40 C ATOM 1199 C VAL A 156 -30.861 -12.387 -7.353 1.00 40.71 C ATOM 1200 O VAL A 156 -30.158 -13.287 -7.814 1.00 39.77 O ATOM 1201 CB VAL A 156 -29.458 -10.427 -8.137 1.00 40.10 C ATOM 1202 CG1 VAL A 156 -30.374 -10.206 -9.337 1.00 40.85 C ATOM 1203 CG2 VAL A 156 -28.822 -9.111 -7.709 1.00 40.10 C ATOM 1204 H VAL A 156 -28.375 -11.614 -5.992 1.00 0.00 H ATOM 1205 N ARG A 157 -32.172 -12.514 -7.153 1.00 43.10 N ATOM 1206 CA ARG A 157 -32.886 -13.781 -7.347 1.00 46.11 C ATOM 1207 C ARG A 157 -34.219 -13.578 -8.066 1.00 46.48 C ATOM 1208 O ARG A 157 -34.830 -12.511 -7.975 1.00 46.79 O ATOM 1209 CB ARG A 157 -33.164 -14.447 -5.992 1.00 46.88 C ATOM 1210 CG ARG A 157 -31.939 -14.772 -5.152 1.00 47.81 C ATOM 1211 CD ARG A 157 -31.110 -15.890 -5.759 1.00 48.17 C ATOM 1212 NE ARG A 157 -29.972 -16.226 -4.903 1.00 49.12 N ATOM 1213 CZ ARG A 157 -28.776 -15.631 -4.916 1.00 49.69 C ATOM 1214 NH1 ARG A 157 -28.495 -14.627 -5.754 1.00 49.79 N ATOM 1215 NH2 ARG A 157 -27.838 -16.046 -4.065 1.00 49.61 N ATOM 1216 HE ARG A 157 -30.107 -17.000 -4.221 1.00 0.00 H ATOM 1217 HH12 ARG A 157 -27.554 -14.185 -5.739 1.00 0.00 H ATOM 1218 HH11 ARG A 157 -29.218 -14.288 -6.421 1.00 0.00 H ATOM 1219 HH22 ARG A 157 -26.902 -15.594 -4.062 1.00 0.00 H ATOM 1220 HH21 ARG A 157 -28.042 -16.822 -3.404 1.00 0.00 H ATOM 1221 H ARG A 157 -32.712 -11.680 -6.846 1.00 0.00 H ATOM 1222 N ALA A 158 -34.672 -14.629 -8.747 1.00 47.99 N ATOM 1223 CA ALA A 158 -35.957 -14.631 -9.452 1.00 49.01 C ATOM 1224 C ALA A 158 -37.145 -14.683 -8.487 1.00 49.50 C ATOM 1225 O ALA A 158 -38.180 -14.070 -8.749 1.00 50.27 O ATOM 1226 CB ALA A 158 -36.018 -15.796 -10.434 1.00 49.04 C ATOM 1227 H ALA A 158 -34.087 -15.488 -8.780 1.00 0.00 H ATOM 1228 N LYS A 159 -36.991 -15.406 -7.376 1.00 50.02 N ATOM 1229 CA LYS A 159 -38.025 -15.476 -6.332 1.00 51.54 C ATOM 1230 C LYS A 159 -38.239 -14.152 -5.584 1.00 52.33 C ATOM 1231 O LYS A 159 -39.306 -13.933 -5.001 1.00 53.90 O ATOM 1232 CB LYS A 159 -37.692 -16.577 -5.316 1.00 51.73 C ATOM 1233 H LYS A 159 -36.108 -15.939 -7.243 1.00 0.00 H ATOM 1234 N GLY A 160 -37.227 -13.284 -5.598 1.00 51.03 N ATOM 1235 CA GLY A 160 -37.280 -11.988 -4.917 1.00 49.36 C ATOM 1236 C GLY A 160 -35.911 -11.666 -4.356 1.00 47.46 C ATOM 1237 O GLY A 160 -35.230 -12.553 -3.839 1.00 48.12 O ATOM 1238 H GLY A 160 -36.361 -13.538 -6.115 1.00 0.00 H ATOM 1239 N ASP A 161 -35.512 -10.399 -4.444 1.00 44.85 N ATOM 1240 CA ASP A 161 -34.158 -9.992 -4.059 1.00 43.05 C ATOM 1241 C ASP A 161 -34.036 -9.898 -2.536 1.00 40.95 C ATOM 1242 O ASP A 161 -35.033 -9.682 -1.842 1.00 38.81 O ATOM 1243 CB ASP A 161 -33.793 -8.651 -4.697 1.00 43.65 C ATOM 1244 CG ASP A 161 -33.935 -8.664 -6.209 1.00 44.27 C ATOM 1245 OD1 ASP A 161 -33.412 -9.595 -6.856 1.00 43.51 O ATOM 1246 OD2 ASP A 161 -34.581 -7.744 -6.748 1.00 44.20 O ATOM 1247 H ASP A 161 -36.177 -9.681 -4.794 1.00 0.00 H ATOM 1248 N LYS A 162 -32.812 -10.067 -2.037 1.00 39.55 N ATOM 1249 CA LYS A 162 -32.515 -9.967 -0.604 1.00 40.09 C ATOM 1250 C LYS A 162 -31.265 -9.128 -0.356 1.00 37.21 C ATOM 1251 O LYS A 162 -30.289 -9.244 -1.096 1.00 35.65 O ATOM 1252 CB LYS A 162 -32.322 -11.359 0.001 1.00 42.48 C ATOM 1253 CG LYS A 162 -33.597 -12.188 0.059 1.00 44.02 C ATOM 1254 CD LYS A 162 -33.335 -13.599 0.571 1.00 46.36 C ATOM 1255 CE LYS A 162 -32.533 -14.426 -0.425 1.00 47.52 C ATOM 1256 NZ LYS A 162 -32.670 -15.886 -0.173 1.00 49.23 N ATOM 1257 HZ1 LYS A 162 -32.326 -16.105 0.784 1.00 0.00 H ATOM 1258 HZ2 LYS A 162 -33.670 -16.158 -0.254 1.00 0.00 H ATOM 1259 HZ3 LYS A 162 -32.108 -16.412 -0.873 1.00 0.00 H ATOM 1260 H LYS A 162 -32.033 -10.279 -2.692 1.00 0.00 H ATOM 1261 N ILE A 163 -31.320 -8.277 0.670 1.00 34.71 N ATOM 1262 CA ILE A 163 -30.162 -7.523 1.160 1.00 33.44 C ATOM 1263 C ILE A 163 -29.995 -7.835 2.650 1.00 32.37 C ATOM 1264 O ILE A 163 -30.982 -7.946 3.377 1.00 30.96 O ATOM 1265 CB ILE A 163 -30.325 -5.997 0.945 1.00 33.94 C ATOM 1266 CG1 ILE A 163 -30.411 -5.670 -0.551 1.00 34.44 C ATOM 1267 CG2 ILE A 163 -29.147 -5.220 1.535 1.00 33.86 C ATOM 1268 CD1 ILE A 163 -30.923 -4.273 -0.838 1.00 34.79 C ATOM 1269 H ILE A 163 -32.234 -8.141 1.148 1.00 0.00 H ATOM 1270 N ALA A 164 -28.748 -7.959 3.102 1.00 31.86 N ATOM 1271 CA ALA A 164 -28.473 -8.253 4.502 1.00 31.97 C ATOM 1272 C ALA A 164 -27.195 -7.606 5.016 1.00 32.14 C ATOM 1273 O ALA A 164 -26.191 -7.582 4.307 1.00 32.49 O ATOM 1274 CB ALA A 164 -28.407 -9.757 4.709 1.00 31.93 C ATOM 1275 H ALA A 164 -27.953 -7.843 2.441 1.00 0.00 H ATOM 1276 N ILE A 165 -27.241 -7.084 6.244 1.00 31.96 N ATOM 1277 CA ILE A 165 -26.030 -6.681 6.964 1.00 32.55 C ATOM 1278 C ILE A 165 -25.619 -7.829 7.889 1.00 32.84 C ATOM 1279 O ILE A 165 -26.407 -8.279 8.716 1.00 32.37 O ATOM 1280 CB ILE A 165 -26.211 -5.353 7.747 1.00 33.35 C ATOM 1281 CG1 ILE A 165 -26.129 -4.171 6.774 1.00 33.53 C ATOM 1282 CG2 ILE A 165 -25.134 -5.188 8.828 1.00 34.40 C ATOM 1283 CD1 ILE A 165 -26.300 -2.813 7.415 1.00 33.89 C ATOM 1284 H ILE A 165 -28.165 -6.959 6.704 1.00 0.00 H ATOM 1285 N TRP A 166 -24.376 -8.273 7.732 1.00 32.97 N ATOM 1286 CA TRP A 166 -23.799 -9.353 8.512 1.00 33.91 C ATOM 1287 C TRP A 166 -23.023 -8.768 9.695 1.00 34.18 C ATOM 1288 O TRP A 166 -22.148 -7.920 9.497 1.00 32.50 O ATOM 1289 CB TRP A 166 -22.844 -10.172 7.643 1.00 34.12 C ATOM 1290 CG TRP A 166 -23.505 -11.106 6.658 1.00 34.29 C ATOM 1291 CD1 TRP A 166 -24.699 -10.928 6.008 1.00 34.27 C ATOM 1292 CD2 TRP A 166 -22.979 -12.348 6.191 1.00 34.51 C ATOM 1293 NE1 TRP A 166 -24.947 -11.993 5.178 1.00 34.40 N ATOM 1294 CE2 TRP A 166 -23.904 -12.876 5.265 1.00 34.64 C ATOM 1295 CE3 TRP A 166 -21.809 -13.067 6.464 1.00 34.82 C ATOM 1296 CZ2 TRP A 166 -23.700 -14.100 4.616 1.00 35.25 C ATOM 1297 CZ3 TRP A 166 -21.603 -14.279 5.819 1.00 35.30 C ATOM 1298 CH2 TRP A 166 -22.548 -14.786 4.905 1.00 35.29 C ATOM 1299 HE1 TRP A 166 -25.790 -12.110 4.580 1.00 0.00 H ATOM 1300 H TRP A 166 -23.782 -7.820 7.008 1.00 0.00 H ATOM 1301 N THR A 167 -23.347 -9.227 10.909 1.00 34.58 N ATOM 1302 CA THR A 167 -22.648 -8.822 12.135 1.00 35.95 C ATOM 1303 C THR A 167 -21.883 -10.003 12.749 1.00 37.52 C ATOM 1304 O THR A 167 -22.165 -11.167 12.437 1.00 36.75 O ATOM 1305 CB THR A 167 -23.611 -8.230 13.181 1.00 36.94 C ATOM 1306 OG1 THR A 167 -24.430 -9.261 13.737 1.00 37.45 O ATOM 1307 CG2 THR A 167 -24.508 -7.138 12.563 1.00 36.93 C ATOM 1308 HG1 THR A 167 -24.957 -9.688 13.015 1.00 0.00 H ATOM 1309 H THR A 167 -24.133 -9.904 10.988 1.00 0.00 H ATOM 1310 N THR A 168 -20.926 -9.705 13.627 1.00 37.29 N ATOM 1311 CA THR A 168 -19.935 -10.708 14.037 1.00 39.73 C ATOM 1312 C THR A 168 -20.367 -11.681 15.141 1.00 40.89 C ATOM 1313 O THR A 168 -19.815 -12.780 15.230 1.00 42.44 O ATOM 1314 CB THR A 168 -18.580 -10.068 14.425 1.00 39.26 C ATOM 1315 OG1 THR A 168 -17.553 -11.061 14.351 1.00 39.89 O ATOM 1316 CG2 THR A 168 -18.603 -9.462 15.838 1.00 39.36 C ATOM 1317 HG1 THR A 168 -17.502 -11.414 13.427 1.00 0.00 H ATOM 1318 H THR A 168 -20.880 -8.747 14.028 1.00 0.00 H ATOM 1319 N GLU A 169 -21.329 -11.280 15.969 1.00 41.17 N ATOM 1320 CA GLU A 169 -21.700 -12.052 17.154 1.00 43.11 C ATOM 1321 C GLU A 169 -23.196 -11.934 17.430 1.00 43.35 C ATOM 1322 O GLU A 169 -23.662 -10.888 17.884 1.00 41.95 O ATOM 1323 CB GLU A 169 -20.881 -11.560 18.360 1.00 43.65 C ATOM 1324 CG GLU A 169 -21.154 -12.278 19.677 1.00 44.33 C ATOM 1325 CD GLU A 169 -20.977 -13.780 19.577 1.00 45.23 C ATOM 1326 OE1 GLU A 169 -21.996 -14.501 19.650 1.00 44.51 O ATOM 1327 OE2 GLU A 169 -19.820 -14.236 19.409 1.00 45.80 O ATOM 1328 H GLU A 169 -21.831 -10.392 15.767 1.00 0.00 H ATOM 1329 N CYS A 170 -23.935 -13.018 17.176 1.00 45.93 N ATOM 1330 CA CYS A 170 -25.400 -13.029 17.322 1.00 48.50 C ATOM 1331 C CYS A 170 -25.889 -12.844 18.763 1.00 50.93 C ATOM 1332 O CYS A 170 -27.033 -12.444 18.972 1.00 52.04 O ATOM 1333 CB CYS A 170 -26.002 -14.314 16.732 1.00 49.58 C ATOM 1334 SG CYS A 170 -25.615 -15.840 17.628 1.00 53.40 S ATOM 1335 H CYS A 170 -23.457 -13.887 16.863 1.00 0.00 H ATOM 1336 N GLU A 171 -25.029 -13.130 19.744 1.00 53.09 N ATOM 1337 CA GLU A 171 -25.357 -12.938 21.162 1.00 56.02 C ATOM 1338 C GLU A 171 -25.037 -11.538 21.702 1.00 56.01 C ATOM 1339 O GLU A 171 -25.381 -11.244 22.848 1.00 57.85 O ATOM 1340 CB GLU A 171 -24.658 -14.004 22.017 1.00 58.74 C ATOM 1341 CG GLU A 171 -25.034 -15.433 21.640 1.00 60.15 C ATOM 1342 CD GLU A 171 -24.337 -16.482 22.491 1.00 62.55 C ATOM 1343 OE1 GLU A 171 -23.118 -16.347 22.746 1.00 64.13 O ATOM 1344 OE2 GLU A 171 -25.008 -17.458 22.892 1.00 63.96 O ATOM 1345 H GLU A 171 -24.091 -13.503 19.494 1.00 0.00 H ATOM 1346 N ASN A 172 -24.395 -10.680 20.899 1.00 55.27 N ATOM 1347 CA ASN A 172 -24.222 -9.257 21.251 1.00 53.83 C ATOM 1348 C ASN A 172 -25.558 -8.546 21.034 1.00 53.06 C ATOM 1349 O ASN A 172 -25.761 -7.875 20.016 1.00 51.52 O ATOM 1350 CB ASN A 172 -23.117 -8.584 20.404 1.00 54.44 C ATOM 1351 CG ASN A 172 -21.706 -8.908 20.879 1.00 53.92 C ATOM 1352 OD1 ASN A 172 -21.505 -9.553 21.905 1.00 54.39 O ATOM 1353 ND2 ASN A 172 -20.715 -8.436 20.127 1.00 52.69 N ATOM 1354 HD22 ASN A 172 -20.929 -7.894 19.265 1.00 0.00 H ATOM 1355 HD21 ASN A 172 -19.727 -8.609 20.401 1.00 0.00 H ATOM 1356 H ASN A 172 -24.006 -11.027 19.999 1.00 0.00 H ATOM 1357 N ARG A 173 -26.465 -8.702 21.998 1.00 52.59 N ATOM 1358 CA ARG A 173 -27.851 -8.225 21.868 1.00 53.23 C ATOM 1359 C ARG A 173 -27.963 -6.705 21.712 1.00 51.19 C ATOM 1360 O ARG A 173 -28.797 -6.224 20.942 1.00 48.03 O ATOM 1361 CB ARG A 173 -28.709 -8.705 23.055 1.00 56.52 C ATOM 1362 CG ARG A 173 -30.119 -8.122 23.094 1.00 60.22 C ATOM 1363 CD ARG A 173 -31.053 -8.869 24.042 1.00 63.42 C ATOM 1364 NE ARG A 173 -32.104 -7.987 24.562 1.00 66.08 N ATOM 1365 CZ ARG A 173 -33.148 -7.517 23.868 1.00 68.25 C ATOM 1366 NH1 ARG A 173 -34.023 -6.716 24.471 1.00 68.87 N ATOM 1367 NH2 ARG A 173 -33.335 -7.827 22.583 1.00 68.81 N ATOM 1368 HE ARG A 173 -32.031 -7.701 25.559 1.00 0.00 H ATOM 1369 HH12 ARG A 173 -34.838 -6.345 23.942 1.00 0.00 H ATOM 1370 HH11 ARG A 173 -33.892 -6.461 25.471 1.00 0.00 H ATOM 1371 HH22 ARG A 173 -34.156 -7.446 22.070 1.00 0.00 H ATOM 1372 HH21 ARG A 173 -32.660 -8.449 22.095 1.00 0.00 H ATOM 1373 H ARG A 173 -26.182 -9.180 22.877 1.00 0.00 H ATOM 1374 N GLU A 174 -27.135 -5.960 22.442 1.00 49.78 N ATOM 1375 CA GLU A 174 -27.174 -4.494 22.396 1.00 49.39 C ATOM 1376 C GLU A 174 -26.685 -3.944 21.047 1.00 45.42 C ATOM 1377 O GLU A 174 -27.259 -2.988 20.520 1.00 43.14 O ATOM 1378 CB GLU A 174 -26.363 -3.892 23.552 1.00 51.89 C ATOM 1379 CG GLU A 174 -26.698 -2.434 23.847 1.00 54.19 C ATOM 1380 CD GLU A 174 -26.117 -1.933 25.165 1.00 56.61 C ATOM 1381 OE1 GLU A 174 -26.700 -0.991 25.746 1.00 58.92 O ATOM 1382 OE2 GLU A 174 -25.082 -2.470 25.622 1.00 56.57 O ATOM 1383 H GLU A 174 -26.443 -6.429 23.061 1.00 0.00 H ATOM 1384 N ALA A 175 -25.637 -4.556 20.498 1.00 42.61 N ATOM 1385 CA ALA A 175 -25.103 -4.172 19.185 1.00 42.15 C ATOM 1386 C ALA A 175 -26.057 -4.539 18.044 1.00 41.15 C ATOM 1387 O ALA A 175 -26.331 -3.708 17.175 1.00 39.90 O ATOM 1388 CB ALA A 175 -23.737 -4.811 18.955 1.00 41.57 C ATOM 1389 H ALA A 175 -25.181 -5.333 21.017 1.00 0.00 H ATOM 1390 N VAL A 176 -26.552 -5.779 18.060 1.00 39.84 N ATOM 1391 CA VAL A 176 -27.481 -6.288 17.034 1.00 40.14 C ATOM 1392 C VAL A 176 -28.758 -5.446 16.982 1.00 39.26 C ATOM 1393 O VAL A 176 -29.252 -5.113 15.901 1.00 37.26 O ATOM 1394 CB VAL A 176 -27.834 -7.779 17.278 1.00 40.44 C ATOM 1395 CG1 VAL A 176 -28.998 -8.242 16.404 1.00 41.20 C ATOM 1396 CG2 VAL A 176 -26.620 -8.664 17.026 1.00 40.35 C ATOM 1397 H VAL A 176 -26.269 -6.416 18.832 1.00 0.00 H ATOM 1398 N THR A 177 -29.272 -5.103 18.158 1.00 38.74 N ATOM 1399 CA THR A 177 -30.468 -4.273 18.295 1.00 39.46 C ATOM 1400 C THR A 177 -30.274 -2.859 17.734 1.00 37.11 C ATOM 1401 O THR A 177 -31.121 -2.370 16.990 1.00 37.88 O ATOM 1402 CB THR A 177 -30.897 -4.212 19.779 1.00 42.06 C ATOM 1403 OG1 THR A 177 -31.247 -5.536 20.209 1.00 44.88 O ATOM 1404 CG2 THR A 177 -32.082 -3.278 19.998 1.00 42.93 C ATOM 1405 HG1 THR A 177 -30.463 -6.132 20.108 1.00 0.00 H ATOM 1406 H THR A 177 -28.802 -5.441 19.022 1.00 0.00 H ATOM 1407 N HIS A 178 -29.166 -2.214 18.094 1.00 35.73 N ATOM 1408 CA HIS A 178 -28.862 -0.854 17.616 1.00 34.04 C ATOM 1409 C HIS A 178 -28.633 -0.820 16.096 1.00 31.68 C ATOM 1410 O HIS A 178 -29.126 0.074 15.416 1.00 29.82 O ATOM 1411 CB HIS A 178 -27.646 -0.284 18.349 1.00 33.93 C ATOM 1412 CG HIS A 178 -27.296 1.123 17.960 1.00 34.86 C ATOM 1413 ND1 HIS A 178 -27.878 2.227 18.548 1.00 35.08 N ATOM 1414 CD2 HIS A 178 -26.410 1.605 17.055 1.00 34.98 C ATOM 1415 CE1 HIS A 178 -27.372 3.327 18.016 1.00 35.55 C ATOM 1416 NE2 HIS A 178 -26.478 2.978 17.108 1.00 35.52 N ATOM 1417 H HIS A 178 -28.494 -2.685 18.733 1.00 0.00 H ATOM 1418 N ILE A 179 -27.889 -1.792 15.577 1.00 30.87 N ATOM 1419 CA ILE A 179 -27.600 -1.863 14.135 1.00 30.56 C ATOM 1420 C ILE A 179 -28.908 -2.005 13.349 1.00 29.96 C ATOM 1421 O ILE A 179 -29.132 -1.279 12.387 1.00 30.07 O ATOM 1422 CB ILE A 179 -26.613 -3.011 13.795 1.00 30.35 C ATOM 1423 CG1 ILE A 179 -25.223 -2.708 14.378 1.00 31.56 C ATOM 1424 CG2 ILE A 179 -26.491 -3.208 12.282 1.00 29.64 C ATOM 1425 CD1 ILE A 179 -24.333 -3.928 14.532 1.00 31.53 C ATOM 1426 H ILE A 179 -27.500 -2.522 16.207 1.00 0.00 H ATOM 1427 N GLY A 180 -29.769 -2.923 13.790 1.00 30.14 N ATOM 1428 CA GLY A 180 -31.066 -3.170 13.161 1.00 30.40 C ATOM 1429 C GLY A 180 -31.969 -1.958 13.060 1.00 31.02 C ATOM 1430 O GLY A 180 -32.469 -1.642 11.974 1.00 31.48 O ATOM 1431 H GLY A 180 -29.506 -3.490 14.621 1.00 0.00 H ATOM 1432 N ARG A 181 -32.170 -1.276 14.187 1.00 30.70 N ATOM 1433 CA ARG A 181 -33.020 -0.082 14.231 1.00 31.93 C ATOM 1434 C ARG A 181 -32.534 1.005 13.277 1.00 30.79 C ATOM 1435 O ARG A 181 -33.322 1.546 12.497 1.00 29.83 O ATOM 1436 CB ARG A 181 -33.105 0.486 15.658 1.00 33.44 C ATOM 1437 CG ARG A 181 -34.000 1.715 15.789 1.00 34.10 C ATOM 1438 CD ARG A 181 -33.954 2.328 17.179 1.00 35.47 C ATOM 1439 NE ARG A 181 -32.633 2.829 17.564 1.00 36.88 N ATOM 1440 CZ ARG A 181 -32.049 3.936 17.097 1.00 37.59 C ATOM 1441 NH1 ARG A 181 -32.640 4.708 16.185 1.00 39.01 N ATOM 1442 NH2 ARG A 181 -30.849 4.282 17.551 1.00 37.66 N ATOM 1443 HE ARG A 181 -32.102 2.273 18.264 1.00 0.00 H ATOM 1444 HH12 ARG A 181 -32.161 5.564 15.840 1.00 0.00 H ATOM 1445 HH11 ARG A 181 -33.580 4.454 15.819 1.00 0.00 H ATOM 1446 HH22 ARG A 181 -30.386 5.142 17.194 1.00 0.00 H ATOM 1447 HH21 ARG A 181 -30.373 3.693 18.264 1.00 0.00 H ATOM 1448 H ARG A 181 -31.710 -1.600 15.062 1.00 0.00 H ATOM 1449 N VAL A 182 -31.242 1.322 13.350 1.00 30.63 N ATOM 1450 CA VAL A 182 -30.662 2.390 12.533 1.00 30.00 C ATOM 1451 C VAL A 182 -30.723 2.013 11.047 1.00 29.68 C ATOM 1452 O VAL A 182 -31.116 2.832 10.217 1.00 28.74 O ATOM 1453 CB VAL A 182 -29.208 2.719 12.958 1.00 30.29 C ATOM 1454 CG1 VAL A 182 -28.538 3.676 11.972 1.00 29.71 C ATOM 1455 CG2 VAL A 182 -29.191 3.321 14.359 1.00 30.90 C ATOM 1456 H VAL A 182 -30.629 0.797 14.005 1.00 0.00 H ATOM 1457 N TYR A 183 -30.344 0.777 10.733 1.00 30.05 N ATOM 1458 CA TYR A 183 -30.312 0.296 9.355 1.00 30.69 C ATOM 1459 C TYR A 183 -31.700 0.357 8.709 1.00 31.75 C ATOM 1460 O TYR A 183 -31.867 0.927 7.623 1.00 30.11 O ATOM 1461 CB TYR A 183 -29.747 -1.134 9.308 1.00 30.41 C ATOM 1462 CG TYR A 183 -29.654 -1.748 7.923 1.00 29.80 C ATOM 1463 CD1 TYR A 183 -29.204 -1.003 6.828 1.00 29.26 C ATOM 1464 CD2 TYR A 183 -29.992 -3.082 7.710 1.00 29.92 C ATOM 1465 CE1 TYR A 183 -29.119 -1.563 5.568 1.00 28.98 C ATOM 1466 CE2 TYR A 183 -29.897 -3.654 6.449 1.00 29.20 C ATOM 1467 CZ TYR A 183 -29.460 -2.891 5.385 1.00 28.76 C ATOM 1468 OH TYR A 183 -29.377 -3.452 4.137 1.00 27.80 O ATOM 1469 HH TYR A 183 -29.049 -2.775 3.493 1.00 0.00 H ATOM 1470 H TYR A 183 -30.060 0.130 11.497 1.00 0.00 H ATOM 1471 N LYS A 184 -32.683 -0.216 9.399 1.00 33.53 N ATOM 1472 CA LYS A 184 -34.079 -0.188 8.953 1.00 34.79 C ATOM 1473 C LYS A 184 -34.564 1.240 8.695 1.00 34.66 C ATOM 1474 O LYS A 184 -35.184 1.512 7.666 1.00 34.78 O ATOM 1475 CB LYS A 184 -34.987 -0.857 9.985 1.00 37.16 C ATOM 1476 CG LYS A 184 -36.356 -1.239 9.442 1.00 39.99 C ATOM 1477 CD LYS A 184 -37.451 -1.070 10.477 1.00 41.19 C ATOM 1478 CE LYS A 184 -38.746 -1.702 9.996 1.00 43.16 C ATOM 1479 NZ LYS A 184 -39.879 -1.363 10.893 1.00 43.82 N ATOM 1480 HZ1 LYS A 184 -39.677 -1.712 11.852 1.00 0.00 H ATOM 1481 HZ2 LYS A 184 -40.004 -0.331 10.917 1.00 0.00 H ATOM 1482 HZ3 LYS A 184 -40.748 -1.810 10.536 1.00 0.00 H ATOM 1483 H LYS A 184 -32.452 -0.702 10.289 1.00 0.00 H ATOM 1484 N GLU A 185 -34.260 2.144 9.624 1.00 33.62 N ATOM 1485 CA GLU A 185 -34.654 3.550 9.501 1.00 33.75 C ATOM 1486 C GLU A 185 -33.841 4.325 8.453 1.00 33.35 C ATOM 1487 O GLU A 185 -34.368 5.269 7.857 1.00 34.89 O ATOM 1488 CB GLU A 185 -34.623 4.242 10.875 1.00 34.26 C ATOM 1489 CG GLU A 185 -35.698 3.688 11.806 1.00 34.27 C ATOM 1490 CD GLU A 185 -35.585 4.136 13.254 1.00 34.87 C ATOM 1491 OE1 GLU A 185 -34.740 4.990 13.591 1.00 35.17 O ATOM 1492 OE2 GLU A 185 -36.367 3.613 14.070 1.00 36.66 O ATOM 1493 H GLU A 185 -33.726 1.843 10.464 1.00 0.00 H ATOM 1494 N ARG A 186 -32.585 3.929 8.214 1.00 31.90 N ATOM 1495 CA ARG A 186 -31.785 4.511 7.118 1.00 31.29 C ATOM 1496 C ARG A 186 -32.321 4.115 5.740 1.00 30.88 C ATOM 1497 O ARG A 186 -32.313 4.932 4.829 1.00 31.55 O ATOM 1498 CB ARG A 186 -30.290 4.131 7.207 1.00 30.73 C ATOM 1499 CG ARG A 186 -29.435 5.031 8.092 1.00 30.56 C ATOM 1500 CD ARG A 186 -29.207 6.418 7.493 1.00 30.29 C ATOM 1501 NE ARG A 186 -28.345 6.398 6.308 1.00 30.34 N ATOM 1502 CZ ARG A 186 -27.009 6.348 6.321 1.00 30.14 C ATOM 1503 NH1 ARG A 186 -26.342 6.337 5.169 1.00 29.61 N ATOM 1504 NH2 ARG A 186 -26.323 6.300 7.464 1.00 29.69 N ATOM 1505 HE ARG A 186 -28.812 6.425 5.379 1.00 0.00 H ATOM 1506 HH12 ARG A 186 -25.303 6.298 5.170 1.00 0.00 H ATOM 1507 HH11 ARG A 186 -26.860 6.367 4.268 1.00 0.00 H ATOM 1508 HH22 ARG A 186 -25.284 6.262 7.446 1.00 0.00 H ATOM 1509 HH21 ARG A 186 -26.827 6.301 8.374 1.00 0.00 H ATOM 1510 H ARG A 186 -32.162 3.193 8.815 1.00 0.00 H ATOM 1511 N LEU A 187 -32.749 2.863 5.590 1.00 31.83 N ATOM 1512 CA LEU A 187 -33.378 2.393 4.349 1.00 33.84 C ATOM 1513 C LEU A 187 -34.768 2.999 4.099 1.00 34.33 C ATOM 1514 O LEU A 187 -35.203 3.067 2.952 1.00 34.53 O ATOM 1515 CB LEU A 187 -33.490 0.859 4.330 1.00 34.35 C ATOM 1516 CG LEU A 187 -32.207 0.029 4.200 1.00 34.67 C ATOM 1517 CD1 LEU A 187 -32.539 -1.452 4.273 1.00 35.18 C ATOM 1518 CD2 LEU A 187 -31.481 0.341 2.906 1.00 35.12 C ATOM 1519 H LEU A 187 -32.634 2.195 6.379 1.00 0.00 H ATOM 1520 N GLY A 188 -35.453 3.415 5.165 1.00 36.09 N ATOM 1521 CA GLY A 188 -36.780 4.035 5.070 1.00 37.31 C ATOM 1522 C GLY A 188 -37.880 3.023 4.807 1.00 37.68 C ATOM 1523 O GLY A 188 -38.789 3.270 4.012 1.00 37.89 O ATOM 1524 H GLY A 188 -35.028 3.295 6.106 1.00 0.00 H ATOM 1525 N LEU A 189 -37.795 1.883 5.487 1.00 38.51 N ATOM 1526 CA LEU A 189 -38.735 0.790 5.296 1.00 40.29 C ATOM 1527 C LEU A 189 -40.044 1.122 6.015 1.00 41.93 C ATOM 1528 O LEU A 189 -40.001 1.665 7.122 1.00 42.01 O ATOM 1529 CB LEU A 189 -38.152 -0.522 5.834 1.00 40.20 C ATOM 1530 CG LEU A 189 -36.817 -0.979 5.241 1.00 39.73 C ATOM 1531 CD1 LEU A 189 -36.391 -2.297 5.867 1.00 40.86 C ATOM 1532 CD2 LEU A 189 -36.893 -1.122 3.731 1.00 39.89 C ATOM 1533 H LEU A 189 -37.028 1.769 6.181 1.00 0.00 H ATOM 1534 N PRO A 190 -41.205 0.814 5.387 1.00 43.26 N ATOM 1535 CA PRO A 190 -42.517 1.123 5.965 1.00 45.01 C ATOM 1536 C PRO A 190 -42.650 0.766 7.461 1.00 46.96 C ATOM 1537 O PRO A 190 -42.226 -0.323 7.861 1.00 44.92 O ATOM 1538 CB PRO A 190 -43.474 0.268 5.130 1.00 43.99 C ATOM 1539 CG PRO A 190 -42.818 0.162 3.800 1.00 43.29 C ATOM 1540 CD PRO A 190 -41.335 0.259 4.022 1.00 43.08 C ATOM 1541 N PRO A 191 -43.212 1.682 8.281 1.00 51.09 N ATOM 1542 CA PRO A 191 -43.492 1.412 9.700 1.00 54.05 C ATOM 1543 C PRO A 191 -44.260 0.114 9.962 1.00 57.35 C ATOM 1544 O PRO A 191 -44.028 -0.540 10.982 1.00 59.57 O ATOM 1545 CB PRO A 191 -44.341 2.615 10.117 1.00 54.24 C ATOM 1546 CG PRO A 191 -43.884 3.724 9.236 1.00 52.03 C ATOM 1547 CD PRO A 191 -43.490 3.092 7.934 1.00 52.33 C ATOM 1548 N LYS A 192 -45.158 -0.241 9.042 1.00 60.09 N ATOM 1549 CA LYS A 192 -45.954 -1.465 9.129 1.00 61.58 C ATOM 1550 C LYS A 192 -45.138 -2.757 9.137 1.00 63.08 C ATOM 1551 O LYS A 192 -45.418 -3.653 9.938 1.00 66.46 O ATOM 1552 CB LYS A 192 -46.971 -1.517 7.980 1.00 61.92 C ATOM 1553 H LYS A 192 -45.299 0.383 8.222 1.00 0.00 H ATOM 1554 N ILE A 193 -44.146 -2.857 8.252 1.00 62.06 N ATOM 1555 CA ILE A 193 -43.365 -4.096 8.111 1.00 61.70 C ATOM 1556 C ILE A 193 -42.234 -4.206 9.145 1.00 59.59 C ATOM 1557 O ILE A 193 -41.680 -3.204 9.594 1.00 55.57 O ATOM 1558 CB ILE A 193 -42.829 -4.308 6.665 1.00 63.49 C ATOM 1559 CG1 ILE A 193 -41.683 -3.344 6.308 1.00 64.40 C ATOM 1560 CG2 ILE A 193 -43.972 -4.182 5.661 1.00 64.35 C ATOM 1561 CD1 ILE A 193 -41.081 -3.601 4.940 1.00 64.74 C ATOM 1562 H ILE A 193 -43.919 -2.041 7.648 1.00 0.00 H ATOM 1563 N VAL A 194 -41.915 -5.449 9.497 1.00 59.26 N ATOM 1564 CA VAL A 194 -40.885 -5.803 10.474 1.00 56.98 C ATOM 1565 C VAL A 194 -39.771 -6.531 9.722 1.00 54.65 C ATOM 1566 O VAL A 194 -40.043 -7.236 8.749 1.00 57.27 O ATOM 1567 CB VAL A 194 -41.500 -6.708 11.577 1.00 57.69 C ATOM 1568 CG1 VAL A 194 -40.453 -7.523 12.331 1.00 58.90 C ATOM 1569 CG2 VAL A 194 -42.325 -5.868 12.541 1.00 58.52 C ATOM 1570 H VAL A 194 -42.436 -6.226 9.044 1.00 0.00 H ATOM 1571 N ILE A 195 -38.526 -6.353 10.163 1.00 51.38 N ATOM 1572 CA ILE A 195 -37.395 -7.145 9.650 1.00 50.13 C ATOM 1573 C ILE A 195 -36.824 -8.001 10.770 1.00 48.25 C ATOM 1574 O ILE A 195 -37.002 -7.682 11.952 1.00 48.24 O ATOM 1575 CB ILE A 195 -36.287 -6.277 9.001 1.00 51.04 C ATOM 1576 CG1 ILE A 195 -35.653 -5.296 10.002 1.00 51.84 C ATOM 1577 CG2 ILE A 195 -36.852 -5.522 7.805 1.00 49.93 C ATOM 1578 CD1 ILE A 195 -34.253 -4.869 9.620 1.00 52.62 C ATOM 1579 H ILE A 195 -38.348 -5.633 10.892 1.00 0.00 H ATOM 1580 N GLY A 196 -36.136 -9.077 10.388 1.00 45.82 N ATOM 1581 CA GLY A 196 -35.668 -10.088 11.336 1.00 45.15 C ATOM 1582 C GLY A 196 -34.176 -10.343 11.263 1.00 44.68 C ATOM 1583 O GLY A 196 -33.570 -10.209 10.197 1.00 44.56 O ATOM 1584 H GLY A 196 -35.924 -9.202 9.378 1.00 0.00 H ATOM 1585 N TYR A 197 -33.601 -10.715 12.408 1.00 44.27 N ATOM 1586 CA TYR A 197 -32.201 -11.118 12.521 1.00 45.14 C ATOM 1587 C TYR A 197 -32.105 -12.634 12.716 1.00 46.90 C ATOM 1588 O TYR A 197 -32.640 -13.170 13.686 1.00 47.72 O ATOM 1589 CB TYR A 197 -31.540 -10.400 13.705 1.00 44.70 C ATOM 1590 CG TYR A 197 -30.051 -10.647 13.830 1.00 43.09 C ATOM 1591 CD1 TYR A 197 -29.135 -9.880 13.115 1.00 43.07 C ATOM 1592 CD2 TYR A 197 -29.556 -11.645 14.668 1.00 43.48 C ATOM 1593 CE1 TYR A 197 -27.768 -10.100 13.225 1.00 42.78 C ATOM 1594 CE2 TYR A 197 -28.191 -11.872 14.790 1.00 42.72 C ATOM 1595 CZ TYR A 197 -27.301 -11.098 14.068 1.00 42.92 C ATOM 1596 OH TYR A 197 -25.952 -11.327 14.187 1.00 42.20 O ATOM 1597 HH TYR A 197 -25.459 -10.693 13.609 1.00 0.00 H ATOM 1598 H TYR A 197 -34.183 -10.718 13.270 1.00 0.00 H ATOM 1599 N GLN A 198 -31.418 -13.308 11.795 1.00 50.27 N ATOM 1600 CA GLN A 198 -31.171 -14.752 11.870 1.00 52.39 C ATOM 1601 C GLN A 198 -29.705 -14.963 12.197 1.00 51.31 C ATOM 1602 O GLN A 198 -28.849 -14.275 11.640 1.00 48.64 O ATOM 1603 CB GLN A 198 -31.438 -15.444 10.523 1.00 56.46 C ATOM 1604 CG GLN A 198 -32.621 -14.940 9.707 1.00 59.96 C ATOM 1605 CD GLN A 198 -32.451 -15.242 8.230 1.00 61.77 C ATOM 1606 OE1 GLN A 198 -32.031 -14.381 7.457 1.00 64.25 O ATOM 1607 NE2 GLN A 198 -32.743 -16.479 7.836 1.00 63.54 N ATOM 1608 HE22 GLN A 198 -33.095 -17.174 8.524 1.00 0.00 H ATOM 1609 HE21 GLN A 198 -32.619 -16.750 6.840 1.00 0.00 H ATOM 1610 H GLN A 198 -31.037 -12.784 10.981 1.00 0.00 H ATOM 1611 N SER A 199 -29.408 -15.922 13.071 1.00 50.98 N ATOM 1612 CA SER A 199 -28.031 -16.392 13.235 1.00 50.65 C ATOM 1613 C SER A 199 -27.648 -17.214 12.001 1.00 50.77 C ATOM 1614 O SER A 199 -28.509 -17.855 11.387 1.00 47.29 O ATOM 1615 CB SER A 199 -27.872 -17.221 14.515 1.00 50.84 C ATOM 1616 OG SER A 199 -28.364 -18.540 14.357 1.00 51.62 O ATOM 1617 HG SER A 199 -27.865 -18.992 13.631 1.00 0.00 H ATOM 1618 H SER A 199 -30.165 -16.344 13.646 1.00 0.00 H ATOM 1619 N HIS A 200 -26.369 -17.180 11.632 1.00 52.09 N ATOM 1620 CA HIS A 200 -25.863 -18.007 10.533 1.00 55.92 C ATOM 1621 C HIS A 200 -25.935 -19.506 10.871 1.00 60.34 C ATOM 1622 O HIS A 200 -26.074 -20.337 9.968 1.00 61.23 O ATOM 1623 CB HIS A 200 -24.423 -17.627 10.161 1.00 56.06 C ATOM 1624 CG HIS A 200 -24.287 -16.256 9.570 1.00 57.58 C ATOM 1625 ND1 HIS A 200 -25.140 -15.772 8.602 1.00 57.96 N ATOM 1626 CD2 HIS A 200 -23.381 -15.275 9.796 1.00 57.36 C ATOM 1627 CE1 HIS A 200 -24.773 -14.547 8.268 1.00 58.72 C ATOM 1628 NE2 HIS A 200 -23.708 -14.222 8.977 1.00 57.51 N ATOM 1629 H HIS A 200 -25.713 -16.551 12.136 1.00 0.00 H ATOM 1630 N ALA A 201 -25.836 -19.835 12.165 1.00 61.63 N ATOM 1631 CA ALA A 201 -25.987 -21.210 12.658 1.00 64.27 C ATOM 1632 C ALA A 201 -27.348 -21.808 12.299 1.00 66.77 C ATOM 1633 O ALA A 201 -27.417 -22.911 11.757 1.00 68.34 O ATOM 1634 CB ALA A 201 -25.779 -21.258 14.167 1.00 63.36 C ATOM 1635 H ALA A 201 -25.643 -19.080 12.854 1.00 0.00 H ATOM 1636 N ASP A 202 -28.416 -21.066 12.589 1.00 69.68 N ATOM 1637 CA ASP A 202 -29.787 -21.516 12.305 1.00 73.02 C ATOM 1638 C ASP A 202 -30.132 -21.533 10.807 1.00 75.43 C ATOM 1639 O ASP A 202 -31.005 -22.294 10.386 1.00 77.12 O ATOM 1640 CB ASP A 202 -30.810 -20.665 13.074 1.00 73.50 C ATOM 1641 CG ASP A 202 -30.693 -20.824 14.588 1.00 74.34 C ATOM 1642 OD1 ASP A 202 -29.622 -21.250 15.074 1.00 74.76 O ATOM 1643 OD2 ASP A 202 -31.676 -20.519 15.296 1.00 75.05 O ATOM 1644 H ASP A 202 -28.275 -20.136 13.032 1.00 0.00 H ATOM 1645 N THR A 203 -29.461 -20.696 10.014 1.00 78.22 N ATOM 1646 CA THR A 203 -29.606 -20.716 8.550 1.00 80.23 C ATOM 1647 C THR A 203 -28.886 -21.923 7.916 1.00 81.36 C ATOM 1648 O THR A 203 -29.290 -22.395 6.852 1.00 82.39 O ATOM 1649 CB THR A 203 -29.088 -19.401 7.911 1.00 79.31 C ATOM 1650 OG1 THR A 203 -29.660 -18.273 8.588 1.00 77.67 O ATOM 1651 CG2 THR A 203 -29.450 -19.319 6.426 1.00 78.93 C ATOM 1652 HG1 THR A 203 -29.402 -18.297 9.543 1.00 0.00 H ATOM 1653 H THR A 203 -28.813 -20.006 10.445 1.00 0.00 H ATOM 1654 N ALA A 204 -27.835 -22.417 8.575 1.00 83.22 N ATOM 1655 CA ALA A 204 -26.994 -23.505 8.048 1.00 84.26 C ATOM 1656 C ALA A 204 -27.569 -24.925 8.198 1.00 86.31 C ATOM 1657 O ALA A 204 -27.195 -25.813 7.429 1.00 86.27 O ATOM 1658 CB ALA A 204 -25.613 -23.444 8.689 1.00 83.59 C ATOM 1659 H ALA A 204 -27.599 -22.014 9.504 1.00 0.00 H ATOM 1660 N THR A 205 -28.460 -25.141 9.170 1.00 88.35 N ATOM 1661 CA THR A 205 -28.971 -26.489 9.477 1.00 90.27 C ATOM 1662 C THR A 205 -29.868 -27.051 8.369 1.00 91.26 C ATOM 1663 O THR A 205 -30.530 -26.306 7.646 1.00 93.91 O ATOM 1664 CB THR A 205 -29.756 -26.526 10.810 1.00 90.98 C ATOM 1665 OG1 THR A 205 -30.856 -25.609 10.755 1.00 91.48 O ATOM 1666 CG2 THR A 205 -28.855 -26.176 11.991 1.00 90.61 C ATOM 1667 HG1 THR A 205 -30.513 -24.693 10.603 1.00 0.00 H ATOM 1668 H THR A 205 -28.804 -24.333 9.727 1.00 0.00 H TER 1669 THR A 205 ATOM 1670 N THR A 211 -35.942 -20.895 9.263 1.00 76.89 N ATOM 1671 CA THR A 211 -35.032 -20.231 10.198 1.00 77.71 C ATOM 1672 C THR A 211 -35.779 -19.202 11.054 1.00 76.31 C ATOM 1673 O THR A 211 -36.302 -18.219 10.527 1.00 76.33 O ATOM 1674 CB THR A 211 -33.874 -19.529 9.450 1.00 79.55 C ATOM 1675 OG1 THR A 211 -33.239 -20.457 8.561 1.00 80.58 O ATOM 1676 CG2 THR A 211 -32.830 -18.991 10.428 1.00 80.12 C ATOM 1677 HG1 THR A 211 -32.880 -21.218 9.082 1.00 0.00 H ATOM 1678 HN3 THR A 211 -36.370 -20.185 8.635 1.00 0.00 H ATOM 1679 HN2 THR A 211 -36.689 -21.383 9.796 1.00 0.00 H ATOM 1680 HN1 THR A 211 -35.411 -21.586 8.696 1.00 0.00 H ATOM 1681 N LYS A 212 -35.818 -19.434 12.368 1.00 75.37 N ATOM 1682 CA LYS A 212 -36.475 -18.518 13.311 1.00 74.12 C ATOM 1683 C LYS A 212 -35.649 -17.248 13.537 1.00 71.71 C ATOM 1684 O LYS A 212 -34.418 -17.269 13.438 1.00 71.41 O ATOM 1685 CB LYS A 212 -36.723 -19.213 14.655 1.00 73.39 C ATOM 1686 H LYS A 212 -35.367 -20.295 12.738 1.00 0.00 H ATOM 1687 N ASN A 213 -36.341 -16.152 13.847 1.00 69.70 N ATOM 1688 CA ASN A 213 -35.698 -14.861 14.102 1.00 68.49 C ATOM 1689 C ASN A 213 -35.243 -14.762 15.555 1.00 69.17 C ATOM 1690 O ASN A 213 -36.042 -14.944 16.478 1.00 70.50 O ATOM 1691 CB ASN A 213 -36.651 -13.701 13.780 1.00 67.25 C ATOM 1692 CG ASN A 213 -36.939 -13.569 12.293 1.00 66.15 C ATOM 1693 OD1 ASN A 213 -36.074 -13.820 11.451 1.00 64.72 O ATOM 1694 ND2 ASN A 213 -38.160 -13.158 11.963 1.00 65.96 N ATOM 1695 HD22 ASN A 213 -38.860 -12.957 12.706 1.00 0.00 H ATOM 1696 HD21 ASN A 213 -38.415 -13.037 10.962 1.00 0.00 H ATOM 1697 H ASN A 213 -37.377 -16.216 13.910 1.00 0.00 H ATOM 1698 N ARG A 214 -33.956 -14.473 15.748 1.00 67.86 N ATOM 1699 CA ARG A 214 -33.403 -14.223 17.080 1.00 65.71 C ATOM 1700 C ARG A 214 -33.785 -12.820 17.598 1.00 61.25 C ATOM 1701 O ARG A 214 -33.980 -12.647 18.802 1.00 61.44 O ATOM 1702 CB ARG A 214 -31.881 -14.448 17.076 1.00 67.94 C ATOM 1703 CG ARG A 214 -31.203 -14.247 18.424 1.00 71.25 C ATOM 1704 CD ARG A 214 -30.269 -15.385 18.815 1.00 73.99 C ATOM 1705 NE ARG A 214 -29.403 -15.008 19.937 1.00 75.36 N ATOM 1706 CZ ARG A 214 -29.798 -14.837 21.205 1.00 77.96 C ATOM 1707 NH1 ARG A 214 -31.072 -15.001 21.574 1.00 78.28 N ATOM 1708 NH2 ARG A 214 -28.903 -14.489 22.127 1.00 78.77 N ATOM 1709 HE ARG A 214 -28.395 -14.861 19.730 1.00 0.00 H ATOM 1710 HH12 ARG A 214 -31.348 -14.861 22.567 1.00 0.00 H ATOM 1711 HH11 ARG A 214 -31.787 -15.269 20.868 1.00 0.00 H ATOM 1712 HH22 ARG A 214 -29.200 -14.354 23.115 1.00 0.00 H ATOM 1713 HH21 ARG A 214 -27.907 -14.352 21.860 1.00 0.00 H ATOM 1714 H ARG A 214 -33.323 -14.423 14.924 1.00 0.00 H ATOM 1715 N PHE A 215 -33.886 -11.834 16.699 1.00 57.44 N ATOM 1716 CA PHE A 215 -34.384 -10.484 17.040 1.00 54.75 C ATOM 1717 C PHE A 215 -35.305 -9.927 15.955 1.00 53.18 C ATOM 1718 O PHE A 215 -35.345 -10.440 14.836 1.00 52.69 O ATOM 1719 CB PHE A 215 -33.232 -9.492 17.243 1.00 53.68 C ATOM 1720 CG PHE A 215 -32.185 -9.957 18.211 1.00 52.93 C ATOM 1721 CD1 PHE A 215 -32.389 -9.866 19.582 1.00 53.54 C ATOM 1722 CD2 PHE A 215 -30.988 -10.484 17.750 1.00 52.83 C ATOM 1723 CE1 PHE A 215 -31.415 -10.296 20.472 1.00 53.97 C ATOM 1724 CE2 PHE A 215 -30.008 -10.908 18.633 1.00 53.49 C ATOM 1725 CZ PHE A 215 -30.223 -10.821 19.998 1.00 53.38 C ATOM 1726 H PHE A 215 -33.602 -12.026 15.717 1.00 0.00 H ATOM 1727 N VAL A 216 -36.011 -8.851 16.299 1.00 52.91 N ATOM 1728 CA VAL A 216 -36.972 -8.191 15.406 1.00 53.38 C ATOM 1729 C VAL A 216 -36.981 -6.674 15.655 1.00 53.39 C ATOM 1730 O VAL A 216 -36.880 -6.233 16.803 1.00 53.31 O ATOM 1731 CB VAL A 216 -38.390 -8.831 15.575 1.00 54.73 C ATOM 1732 CG1 VAL A 216 -39.522 -7.801 15.656 1.00 55.69 C ATOM 1733 CG2 VAL A 216 -38.656 -9.844 14.465 1.00 53.77 C ATOM 1734 H VAL A 216 -35.874 -8.457 17.252 1.00 0.00 H ATOM 1735 N VAL A 217 -37.096 -5.893 14.574 1.00 53.55 N ATOM 1736 CA VAL A 217 -37.290 -4.429 14.644 1.00 53.31 C ATOM 1737 C VAL A 217 -38.175 -3.924 13.499 1.00 53.21 C ATOM 1738 O VAL A 217 -38.675 -2.796 13.533 1.00 51.88 O ATOM 1739 CB VAL A 217 -35.955 -3.634 14.609 1.00 54.38 C ATOM 1740 CG1 VAL A 217 -35.148 -3.856 15.883 1.00 55.53 C ATOM 1741 CG2 VAL A 217 -35.130 -3.971 13.367 1.00 53.42 C ATOM 1742 OXT VAL A 217 -38.402 -4.618 12.504 1.00 52.66 O ATOM 1743 H VAL A 217 -37.046 -6.339 13.636 1.00 0.00 H TER 1744 VAL A 217 HETATM 1745 O HOH 1 -27.496 4.171 -7.581 1.00 45.79 O HETATM 1746 O HOH 2 -0.485 23.753 -10.913 1.00 14.87 O HETATM 1747 O HOH 3 -33.484 -0.778 -8.428 1.00 29.62 O HETATM 1748 O HOH 4 -26.876 0.482 -5.883 1.00 43.99 O HETATM 1749 O HOH 5 -15.474 6.355 11.758 1.00 38.88 O HETATM 1750 O HOH 6 -28.527 -6.002 -17.102 1.00 32.96 O HETATM 1751 O HOH 7 -19.118 4.606 14.244 1.00 37.21 O HETATM 1752 O HOH 8 -8.437 3.052 -1.959 1.00 25.78 O HETATM 1753 O HOH 9 -16.063 -0.612 12.356 1.00 46.08 O HETATM 1754 O HOH 10 -15.089 2.593 6.909 1.00 21.94 O HETATM 1755 O HOH 11 -13.400 -8.602 2.620 1.00 32.17 O HETATM 1756 O HOH 12 -24.784 -16.994 -2.290 1.00 52.53 O HETATM 1757 O HOH 13 -20.683 -11.794 -3.288 1.00 35.94 O HETATM 1758 O HOH 14 -11.992 2.338 -6.685 1.00 33.48 O HETATM 1759 O HOH 15 -22.886 -8.905 16.266 1.00 32.42 O HETATM 1760 O HOH 16 -5.906 12.265 -5.984 1.00 41.69 O HETATM 1761 O HOH 17 -17.239 7.260 9.076 1.00 44.72 O HETATM 1762 O HOH 18 -26.972 -12.687 3.148 1.00 34.17 O HETATM 1763 O HOH 19 -21.633 -13.828 0.583 1.00 68.92 O HETATM 1764 O HOH 20 -28.383 -10.942 1.514 1.00 38.64 O HETATM 1765 O HOH 21 -25.590 -1.227 -14.828 1.00 24.96 O HETATM 1766 O HOH 22 -21.350 -12.385 10.025 1.00 32.96 O HETATM 1767 O HOH 23 -26.110 -1.802 -7.145 1.00 34.17 O HETATM 1768 O HOH 24 -36.137 7.366 8.069 1.00 33.86 O HETATM 1769 O HOH 25 -33.914 1.458 -6.422 1.00 31.51 O HETATM 1770 O HOH 26 -7.724 8.997 -8.633 1.00 48.72 O HETATM 1771 O HOH 27 -23.541 -1.749 -7.959 1.00 24.95 O HETATM 1772 O HOH 28 -5.696 9.778 1.584 1.00 49.09 O HETATM 1773 O HOH 29 -15.345 6.005 7.578 1.00 30.81 O HETATM 1774 O HOH 30 -21.051 0.436 9.921 1.00 45.42 O HETATM 1775 O HOH 31 -18.826 -10.143 22.660 1.00 48.51 O HETATM 1776 O HOH 32 -18.755 -0.491 9.392 1.00 36.45 O HETATM 1777 O HOH 33 -23.471 6.780 5.829 1.00 21.98 O HETATM 1778 O HOH 34 -26.877 -16.258 5.941 1.00 43.41 O HETATM 1779 O HOH 35 -23.070 0.433 -9.343 1.00 26.14 O HETATM 1780 O HOH 36 -22.310 6.500 13.633 1.00 34.62 O HETATM 1781 O HOH 37 -22.129 -2.937 -5.741 1.00 30.35 O HETATM 1782 O HOH 38 -9.589 -2.005 7.907 1.00 37.81 O HETATM 1783 O HOH 39 -21.957 0.852 -17.793 1.00 30.35 O HETATM 1784 O HOH 40 -21.578 -14.153 -2.043 1.00 44.53 O HETATM 1785 O HOH 41 4.334 18.430 -8.796 1.00 52.79 O HETATM 1786 O HOH 42 -25.636 7.207 14.096 1.00 53.77 O HETATM 1787 O HOH 43 -4.723 10.592 -2.172 1.00 32.86 O HETATM 1788 O HOH 44 -12.462 9.536 -7.417 1.00 45.31 O HETATM 1789 O HOH 45 -23.737 -15.102 -0.294 1.00 61.53 O HETATM 1790 O HOH 46 -7.985 2.862 5.995 1.00 52.84 O HETATM 1791 O HOH 47 -7.708 -3.499 -5.470 1.00 43.70 O HETATM 1792 O HOH 48 -31.749 0.519 19.681 1.00 38.41 O HETATM 1793 O HOH 49 -34.411 -22.090 13.728 1.00 51.02 O HETATM 1794 O HOH 50 -1.678 13.235 -4.110 1.00 38.42 O HETATM 1795 O HOH 51 -24.052 -10.605 -14.191 1.00 38.10 O HETATM 1796 O HOH 52 -24.859 -7.634 24.840 1.00 41.63 O HETATM 1797 O HOH 53 -6.937 18.182 -1.135 1.00 20.14 O HETATM 1798 O HOH 54 -39.343 2.124 11.110 1.00 36.26 O HETATM 1799 O HOH 55 -25.847 -14.847 1.310 1.00 40.00 O HETATM 1800 O HOH 56 -12.868 1.465 -10.252 1.00 36.64 O HETATM 1801 O HOH 57 -27.722 7.561 10.530 1.00 10.66 O HETATM 1802 O HOH 58 -23.188 -6.140 22.686 1.00 37.50 O HETATM 1803 O HOH 59 -10.020 -12.279 2.536 1.00 16.52 O HETATM 1804 O HOH 60 -21.806 16.692 8.156 1.00 28.27 O HETATM 1805 O HOH 61 -14.989 11.429 -5.933 1.00 31.42 O HETATM 1806 O HOH 62 -24.883 10.761 8.962 1.00 23.55 O HETATM 1807 O HOH 63 -16.115 9.881 -8.603 1.00 42.07 O HETATM 1808 O HOH 64 -25.914 13.472 6.882 1.00 33.05 O HETATM 1809 O HOH 65 -14.530 14.439 8.663 1.00 57.68 O HETATM 1810 O HOH 66 -8.184 12.593 -7.557 1.00 38.93 O HETATM 1811 O HOH 67 -18.179 19.411 5.895 1.00 49.43 O HETATM 1812 O HOH 68 -7.989 14.959 -8.523 1.00 43.39 O HETATM 1813 C ACE A 69 -17.355 9.587 12.731 1.00 0.18 C HETATM 1814 O ACE A 69 -18.112 8.782 13.296 1.00 -0.40 O HETATM 1815 CH3 ACE A 69 -17.352 11.043 13.207 1.00 0.03 C HETATM 1816 H1 ACE A 69 -16.633 11.623 12.609 1.00 0.05 H HETATM 1817 H2 ACE A 69 -17.062 11.082 14.268 1.00 0.05 H HETATM 1818 H3 ACE A 69 -18.358 11.470 13.086 1.00 0.05 H HETATM 1819 N ACE A 69 -16.534 9.177 11.722 1.00 -0.27 N HETATM 1820 CA ACE A 69 -15.559 9.999 10.934 1.00 0.13 C HETATM 1821 C ACE A 69 -16.284 10.893 9.928 1.00 0.20 C HETATM 1822 O ACE A 69 -16.094 12.110 9.939 1.00 -0.39 O HETATM 1823 N ACE A 69 -17.106 10.284 9.070 1.00 -0.26 N HETATM 1824 CA ACE A 69 -17.906 11.031 8.085 1.00 0.14 C HETATM 1825 C ACE A 69 -19.399 10.837 8.322 1.00 0.21 C HETATM 1826 O ACE A 69 -19.855 9.717 8.560 1.00 -0.39 O HETATM 1827 N ACE A 69 -20.144 11.934 8.247 1.00 -0.26 N HETATM 1828 CA ACE A 69 -21.592 11.880 8.139 1.00 0.15 C HETATM 1829 C ACE A 69 -21.976 11.385 6.745 1.00 0.21 C HETATM 1830 O ACE A 69 -21.140 11.376 5.820 1.00 -0.39 O HETATM 1831 N ACE A 69 -23.243 10.997 6.593 1.00 -0.26 N HETATM 1832 CA ACE A 69 -23.791 10.635 5.287 1.00 0.11 C HETATM 1833 C ACE A 69 -23.566 11.758 4.266 1.00 0.12 C HETATM 1834 O ACE A 69 -23.116 11.471 3.147 1.00 -0.37 O HETATM 1835 H33 ACE A 69 -23.798 12.791 4.520 1.00 0.14 H HETATM 1836 CB ACE A 69 -25.291 10.301 5.380 1.00 -0.01 C HETATM 1837 CG ACE A 69 -25.890 9.859 4.052 1.00 -0.02 C HETATM 1838 CD ACE A 69 -27.399 9.664 4.079 1.00 0.06 C HETATM 1839 NE ACE A 69 -27.794 9.058 2.811 1.00 -0.27 N HETATM 1840 CZ ACE A 69 -27.976 9.716 1.664 1.00 0.29 C HETATM 1841 NH1 ACE A 69 -28.303 9.039 0.569 1.00 -0.28 N HETATM 1842 H41 ACE A 69 -28.446 9.537 -0.321 1.00 0.26 H HETATM 1843 H42 ACE A 69 -28.414 8.016 0.610 1.00 0.26 H HETATM 1844 NH2 ACE A 69 -27.852 11.036 1.587 1.00 -0.28 N HETATM 1845 H43 ACE A 69 -27.599 11.579 2.425 1.00 0.26 H HETATM 1846 H44 ACE A 69 -28.009 11.517 0.690 1.00 0.26 H HETATM 1847 H40 ACE A 69 -27.945 8.039 2.801 1.00 0.26 H HETATM 1848 H38 ACE A 69 -27.900 10.636 4.201 1.00 0.07 H HETATM 1849 H39 ACE A 69 -27.676 9.002 4.912 1.00 0.07 H HETATM 1850 H36 ACE A 69 -25.424 8.905 3.765 1.00 0.03 H HETATM 1851 H37 ACE A 69 -25.655 10.623 3.297 1.00 0.03 H HETATM 1852 H34 ACE A 69 -25.828 11.197 5.725 1.00 0.03 H HETATM 1853 H35 ACE A 69 -25.424 9.490 6.111 1.00 0.03 H HETATM 1854 H32 ACE A 69 -23.262 9.738 4.934 1.00 0.08 H HETATM 1855 H31 ACE A 69 -23.836 10.952 7.397 1.00 0.19 H HETATM 1856 CB ACE A 69 -22.193 13.269 8.371 1.00 0.08 C HETATM 1857 OG ACE A 69 -21.800 14.182 7.351 1.00 -0.39 O HETATM 1858 H30 ACE A 69 -22.188 15.032 7.522 1.00 0.21 H HETATM 1859 H28 ACE A 69 -21.849 13.650 9.344 1.00 0.06 H HETATM 1860 H29 ACE A 69 -23.290 13.188 8.376 1.00 0.06 H HETATM 1861 H27 ACE A 69 -21.986 11.185 8.895 1.00 0.08 H HETATM 1862 H26 ACE A 69 -19.694 12.827 8.265 1.00 0.19 H HETATM 1863 CB ACE A 69 -17.577 10.615 6.646 1.00 0.02 C HETATM 1864 CG ACE A 69 -16.103 10.643 6.332 1.00 -0.05 C HETATM 1865 CD1 ACE A 69 -15.416 11.851 6.185 1.00 -0.07 C HETATM 1866 CE1 ACE A 69 -14.047 11.871 5.905 1.00 -0.04 C HETATM 1867 CZ ACE A 69 -13.360 10.676 5.779 1.00 0.08 C HETATM 1868 CE2 ACE A 69 -14.024 9.473 5.923 1.00 -0.04 C HETATM 1869 CD2 ACE A 69 -15.384 9.461 6.198 1.00 -0.07 C HETATM 1870 H22 ACE A 69 -15.895 8.512 6.311 1.00 0.05 H HETATM 1871 H24 ACE A 69 -13.483 8.539 5.821 1.00 0.05 H HETATM 1872 OH ACE A 69 -12.010 10.670 5.512 1.00 -0.34 O HETATM 1873 H25 ACE A 69 -11.551 10.229 6.217 1.00 0.25 H HETATM 1874 H23 ACE A 69 -13.527 12.815 5.787 1.00 0.05 H HETATM 1875 H21 ACE A 69 -15.953 12.787 6.290 1.00 0.05 H HETATM 1876 H19 ACE A 69 -18.092 11.302 5.959 1.00 0.05 H HETATM 1877 H20 ACE A 69 -17.947 9.591 6.487 1.00 0.05 H HETATM 1878 H18 ACE A 69 -17.671 12.099 8.199 1.00 0.08 H HETATM 1879 H17 ACE A 69 -17.181 9.287 9.097 1.00 0.19 H HETATM 1880 CB ACE A 69 -14.539 9.100 10.222 1.00 -0.01 C HETATM 1881 CG ACE A 69 -13.473 9.864 9.446 1.00 -0.02 C HETATM 1882 CD ACE A 69 -12.374 8.949 8.940 1.00 0.06 C HETATM 1883 NE ACE A 69 -11.452 8.549 10.001 1.00 -0.27 N HETATM 1884 CZ ACE A 69 -10.401 7.744 9.836 1.00 0.29 C HETATM 1885 NH1 ACE A 69 -10.110 7.230 8.637 1.00 -0.28 N HETATM 1886 H13 ACE A 69 -9.295 6.610 8.527 1.00 0.26 H HETATM 1887 H14 ACE A 69 -10.701 7.454 7.824 1.00 0.26 H HETATM 1888 NH2 ACE A 69 -9.636 7.446 10.881 1.00 -0.28 N HETATM 1889 H15 ACE A 69 -9.854 7.839 11.808 1.00 0.26 H HETATM 1890 H16 ACE A 69 -8.825 6.822 10.764 1.00 0.26 H HETATM 1891 H12 ACE A 69 -11.627 8.916 10.947 1.00 0.26 H HETATM 1892 H10 ACE A 69 -11.807 9.476 8.159 1.00 0.07 H HETATM 1893 H11 ACE A 69 -12.834 8.046 8.513 1.00 0.07 H HETATM 1894 H8 ACE A 69 -13.028 10.622 10.107 1.00 0.03 H HETATM 1895 H9 ACE A 69 -13.947 10.360 8.586 1.00 0.03 H HETATM 1896 H6 ACE A 69 -15.081 8.452 9.518 1.00 0.03 H HETATM 1897 H7 ACE A 69 -14.037 8.479 10.979 1.00 0.03 H HETATM 1898 H5 ACE A 69 -15.013 10.647 11.636 1.00 0.08 H HETATM 1899 H4 ACE A 69 -16.589 8.209 11.478 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 229 230 244 245 246 CONECT 244 229 CONECT 245 229 CONECT 246 229 CONECT 1670 1671 1678 1679 1680 CONECT 1678 1670 CONECT 1679 1670 CONECT 1680 1670 CONECT 1813 1814 1815 1819 CONECT 1814 1813 CONECT 1815 1813 1816 1817 1818 CONECT 1816 1815 CONECT 1817 1815 CONECT 1818 1815 CONECT 1819 1813 1820 1899 CONECT 1820 1819 1821 1880 1898 CONECT 1821 1820 1822 1823 CONECT 1822 1821 CONECT 1823 1821 1824 1879 CONECT 1824 1823 1825 1863 1878 CONECT 1825 1824 1826 1827 CONECT 1826 1825 CONECT 1827 1825 1828 1862 CONECT 1828 1827 1829 1856 1861 CONECT 1829 1828 1830 1831 CONECT 1830 1829 CONECT 1831 1829 1832 1855 CONECT 1832 1831 1833 1836 1854 CONECT 1833 1832 1834 1835 CONECT 1834 1833 CONECT 1835 1833 CONECT 1836 1832 1837 1852 1853 CONECT 1837 1836 1838 1850 1851 CONECT 1838 1837 1839 1848 1849 CONECT 1839 1838 1840 1847 CONECT 1840 1839 1841 1844 CONECT 1841 1840 1842 1843 CONECT 1842 1841 CONECT 1843 1841 CONECT 1844 1840 1845 1846 CONECT 1845 1844 CONECT 1846 1844 CONECT 1847 1839 CONECT 1848 1838 CONECT 1849 1838 CONECT 1850 1837 CONECT 1851 1837 CONECT 1852 1836 CONECT 1853 1836 CONECT 1854 1832 CONECT 1855 1831 CONECT 1856 1828 1857 1859 1860 CONECT 1857 1856 1858 CONECT 1858 1857 CONECT 1859 1856 CONECT 1860 1856 CONECT 1861 1828 CONECT 1862 1827 CONECT 1863 1824 1864 1876 1877 CONECT 1864 1863 1865 1869 CONECT 1865 1864 1866 1875 CONECT 1866 1865 1867 1874 CONECT 1867 1866 1868 1872 CONECT 1868 1867 1869 1871 CONECT 1869 1864 1868 1870 CONECT 1870 1869 CONECT 1871 1868 CONECT 1872 1867 1873 CONECT 1873 1872 CONECT 1874 1866 CONECT 1875 1865 CONECT 1876 1863 CONECT 1877 1863 CONECT 1878 1824 CONECT 1879 1823 CONECT 1880 1820 1881 1896 1897 CONECT 1881 1880 1882 1894 1895 CONECT 1882 1881 1883 1892 1893 CONECT 1883 1882 1884 1891 CONECT 1884 1883 1885 1888 CONECT 1885 1884 1886 1887 CONECT 1886 1885 CONECT 1887 1885 CONECT 1888 1884 1889 1890 CONECT 1889 1888 CONECT 1890 1888 CONECT 1891 1883 CONECT 1892 1882 CONECT 1893 1882 CONECT 1894 1881 CONECT 1895 1881 CONECT 1896 1880 CONECT 1897 1880 CONECT 1898 1820 CONECT 1899 1819 MASTER 0 0 0 0 0 0 0 0 1896 3 99 15 END
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Entry Information
PDB ID
5zk7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
page 2491, Table 1
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
2.12(Å)
Affinity (Kd/Ki/IC50)
Kd=195.2nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Chem Sci Vol. 10: pp. 2489-2500
Ligand Properties
Formula
C
2
6
H
4
4
N
1
0
O
7
Molecular Weight
608.690
Exact Mass
608.339
No. of atoms
87
No. of bonds
87
Polar Surface Area
305.95
LOGP Value
0.71 (
Computed with XLOGP3
)
-3.28 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 25
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 1
Canonical SMILES
O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CCC[NH+]=C(N)N)Cc1ccc(cc1)O)CO)CCC[NH+]=C(N)N
InChI String
InChI=1S/C26H42N10O7/c1-15(39)33-19(5-3-11-32-26(29)30)22(41)35-20(12-16-6-8-18(40)9-7-16)23(42)36-21(14-38)24(43)34-17(13-37)4-2-10-31-25(27)28/h6-9,13,17,19-21,38,40H,2-5,10-12,14H2,1H3,(H,33,39)(H,34,43)(H,35,41)(H,36,42)(H4,27,28,31)(H4,29,30,32)/p+2/t17-,19-,20-,21-/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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