Browse entries in the PDBbind-CN Database
HEADER 5QQO_COMPLEX COMPND 5QQO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 238 ILE VAL GLY GLY THR ALA SER VAL ARG GLY GLU TRP PRO SEQRES 2 A 238 TRP GLN VAL THR LEU HIS THR THR SER PRO THR GLN ARG SEQRES 3 A 238 HIS LEU CYS GLY GLY SER ILE ILE GLY ASN GLN TRP ILE SEQRES 4 A 238 LEU THR ALA ALA HIS CYS PHE TYR GLY VAL GLU SER PRO SEQRES 5 A 238 LYS ILE LEU ARG VAL TYR SER GLY ILE LEU ASN GLN SER SEQRES 6 A 238 GLU ILE LYS GLU ASP THR SER PHE PHE GLY VAL GLN GLU SEQRES 7 A 238 ILE ILE ILE HIS ASP GLN TYR LYS MET ALA GLU SER GLY SEQRES 8 A 238 TYR ASP ILE ALA LEU LEU LYS LEU GLU THR THR VAL GLY SEQRES 9 A 238 TYR GLY ASP SER GLN ARG PRO ILE CYS LEU PRO SER LYS SEQRES 10 A 238 GLY ASP ARG ASN VAL ILE TYR THR ASP CYS TRP VAL THR SEQRES 11 A 238 GLY TRP GLY TYR ARG LYS LEU ARG ASP LYS ILE GLN ASN SEQRES 12 A 238 THR LEU GLN LYS ALA LYS ILE PRO LEU VAL THR ASN GLU SEQRES 13 A 238 GLU CYS GLN LYS ARG TYR ARG GLY HIS LYS ILE THR HIS SEQRES 14 A 238 LYS MET ILE CYS ALA GLY TYR ARG GLU GLY GLY LYS ASP SEQRES 15 A 238 ALA CYS LYS GLY ASP SER GLY GLY PRO LEU SER CYS LYS SEQRES 16 A 238 HIS ASN GLU VAL TRP HIS LEU VAL GLY ILE THR SER TRP SEQRES 17 A 238 GLY GLU GLY CYS ALA GLN ARG GLU ARG PRO GLY VAL TYR SEQRES 18 A 238 THR ASN VAL VAL GLU TYR VAL ASP TRP ILE LEU GLU LYS SEQRES 19 A 238 THR GLN ALA VAL HET NRJ A 460 67 SSBOND 1 CYS A 42 CYS A 58 SSBOND 2 CYS A 168 CYS A 182 SSBOND 3 CYS A 136 CYS A 201 SSBOND 4 CYS A 191 CYS A 219 ATOM 1 N ILE A 16 42.194 -11.654 33.953 1.00 11.85 N ATOM 2 CA ILE A 16 41.338 -10.464 34.032 1.00 11.71 C ATOM 3 C ILE A 16 42.069 -9.294 33.377 1.00 17.99 C ATOM 4 O ILE A 16 43.167 -8.959 33.807 1.00 17.42 O ATOM 5 CB ILE A 16 40.957 -10.107 35.510 1.00 13.61 C ATOM 6 CG1 ILE A 16 40.200 -11.281 36.252 1.00 13.12 C ATOM 7 CG2 ILE A 16 40.148 -8.746 35.591 1.00 14.20 C ATOM 8 CD1 ILE A 16 38.750 -11.617 35.713 1.00 10.83 C ATOM 9 HN3 ILE A 16 43.088 -11.470 34.452 1.00 0.00 H ATOM 10 HN2 ILE A 16 42.391 -11.872 32.955 1.00 0.00 H ATOM 11 HN1 ILE A 16 41.708 -12.459 34.396 1.00 0.00 H ATOM 12 N VAL A 17 41.439 -8.645 32.392 1.00 16.39 N ATOM 13 CA VAL A 17 42.002 -7.454 31.731 1.00 15.69 C ATOM 14 C VAL A 17 41.442 -6.202 32.447 1.00 18.54 C ATOM 15 O VAL A 17 40.242 -6.126 32.691 1.00 16.73 O ATOM 16 CB VAL A 17 41.639 -7.396 30.213 1.00 18.90 C ATOM 17 CG1 VAL A 17 42.288 -6.174 29.533 1.00 18.18 C ATOM 18 CG2 VAL A 17 42.027 -8.689 29.486 1.00 18.28 C ATOM 19 H VAL A 17 40.511 -8.996 32.079 1.00 0.00 H ATOM 20 N GLY A 18 42.301 -5.218 32.692 1.00 16.64 N ATOM 21 CA GLY A 18 41.908 -3.940 33.288 1.00 16.67 C ATOM 22 C GLY A 18 41.410 -4.013 34.712 1.00 20.24 C ATOM 23 O GLY A 18 40.650 -3.147 35.145 1.00 20.41 O ATOM 24 H GLY A 18 43.302 -5.363 32.448 1.00 0.00 H ATOM 25 N GLY A 19 41.827 -5.034 35.449 1.00 16.90 N ATOM 26 CA GLY A 19 41.376 -5.162 36.833 1.00 16.69 C ATOM 27 C GLY A 19 42.445 -4.735 37.817 1.00 20.68 C ATOM 28 O GLY A 19 43.459 -4.149 37.418 1.00 18.69 O ATOM 29 H GLY A 19 42.473 -5.741 35.043 1.00 0.00 H ATOM 30 N THR A 20 42.222 -5.014 39.107 1.00 17.10 N ATOM 31 CA THR A 20 43.194 -4.725 40.166 1.00 17.85 C ATOM 32 C THR A 20 43.290 -5.947 41.086 1.00 21.54 C ATOM 33 O THR A 20 42.425 -6.827 41.062 1.00 19.24 O ATOM 34 CB THR A 20 42.848 -3.457 40.984 1.00 29.47 C ATOM 35 OG1 THR A 20 41.569 -3.620 41.607 1.00 28.76 O ATOM 36 CG2 THR A 20 42.877 -2.182 40.150 1.00 33.41 C ATOM 37 HG1 THR A 20 40.880 -3.761 40.911 1.00 0.00 H ATOM 38 H THR A 20 41.318 -5.456 39.370 1.00 0.00 H ATOM 39 N ALA A 21 44.344 -5.984 41.889 1.00 17.80 N ATOM 40 CA ALA A 21 44.594 -7.047 42.844 1.00 17.85 C ATOM 41 C ALA A 21 43.448 -7.125 43.841 1.00 19.33 C ATOM 42 O ALA A 21 42.983 -6.101 44.339 1.00 16.38 O ATOM 43 CB ALA A 21 45.903 -6.759 43.586 1.00 18.86 C ATOM 44 H ALA A 21 45.032 -5.206 41.831 1.00 0.00 H ATOM 45 N SER A 22 42.988 -8.343 44.147 1.00 15.97 N ATOM 46 CA SER A 22 41.981 -8.505 45.186 1.00 15.68 C ATOM 47 C SER A 22 42.689 -8.431 46.544 1.00 19.61 C ATOM 48 O SER A 22 43.912 -8.560 46.621 1.00 18.46 O ATOM 49 CB SER A 22 41.286 -9.857 45.058 1.00 18.45 C ATOM 50 OG SER A 22 40.591 -9.895 43.823 1.00 25.14 O ATOM 51 HG SER A 22 41.234 -9.775 43.080 1.00 0.00 H ATOM 52 H SER A 22 43.351 -9.176 43.642 1.00 0.00 H ATOM 53 N VAL A 23 41.920 -8.204 47.594 1.00 17.96 N ATOM 54 CA VAL A 23 42.408 -8.217 48.982 1.00 19.82 C ATOM 55 C VAL A 23 42.134 -9.676 49.480 1.00 22.09 C ATOM 56 O VAL A 23 41.171 -10.292 49.029 1.00 20.28 O ATOM 57 CB VAL A 23 41.669 -7.105 49.799 1.00 25.29 C ATOM 58 CG1 VAL A 23 41.862 -7.256 51.309 1.00 26.08 C ATOM 59 CG2 VAL A 23 42.139 -5.716 49.344 1.00 25.12 C ATOM 60 H VAL A 23 40.912 -8.005 47.430 1.00 0.00 H ATOM 61 N ARG A 24 42.952 -10.215 50.398 1.00 18.25 N ATOM 62 CA ARG A 24 42.707 -11.563 50.913 1.00 17.86 C ATOM 63 C ARG A 24 41.324 -11.633 51.576 1.00 20.55 C ATOM 64 O ARG A 24 40.941 -10.704 52.283 1.00 18.76 O ATOM 65 CB ARG A 24 43.807 -11.986 51.896 1.00 17.89 C ATOM 66 CG ARG A 24 43.759 -13.481 52.243 1.00 18.72 C ATOM 67 CD ARG A 24 44.880 -13.906 53.195 1.00 17.09 C ATOM 68 NE ARG A 24 46.177 -13.793 52.523 1.00 20.80 N ATOM 69 CZ ARG A 24 46.662 -14.700 51.684 1.00 25.90 C ATOM 70 NH1 ARG A 24 46.001 -15.829 51.459 1.00 15.77 N ATOM 71 NH2 ARG A 24 47.802 -14.484 51.060 1.00 16.35 N ATOM 72 HE ARG A 24 46.754 -12.949 52.715 1.00 0.00 H ATOM 73 HH12 ARG A 24 46.387 -16.535 50.800 1.00 0.00 H ATOM 74 HH11 ARG A 24 45.097 -16.007 51.941 1.00 0.00 H ATOM 75 HH22 ARG A 24 48.179 -15.197 50.403 1.00 0.00 H ATOM 76 HH21 ARG A 24 48.325 -13.600 51.224 1.00 0.00 H ATOM 77 H ARG A 24 43.767 -9.670 50.746 1.00 0.00 H ATOM 78 N GLY A 25 40.577 -12.698 51.288 1.00 18.18 N ATOM 79 CA GLY A 25 39.243 -12.913 51.847 1.00 17.95 C ATOM 80 C GLY A 25 38.111 -12.181 51.163 1.00 20.13 C ATOM 81 O GLY A 25 36.956 -12.328 51.572 1.00 19.02 O ATOM 82 H GLY A 25 40.961 -13.410 50.635 1.00 0.00 H ATOM 83 N GLU A 26 38.424 -11.388 50.120 1.00 16.03 N ATOM 84 CA GLU A 26 37.426 -10.627 49.356 1.00 16.87 C ATOM 85 C GLU A 26 36.431 -11.508 48.567 1.00 21.02 C ATOM 86 O GLU A 26 35.259 -11.142 48.446 1.00 21.49 O ATOM 87 CB GLU A 26 38.139 -9.709 48.358 1.00 18.44 C ATOM 88 CG GLU A 26 37.513 -8.345 48.299 1.00 29.50 C ATOM 89 CD GLU A 26 38.073 -7.406 47.257 1.00 31.39 C ATOM 90 OE1 GLU A 26 37.275 -6.596 46.749 1.00 33.43 O ATOM 91 OE2 GLU A 26 39.283 -7.467 46.943 1.00 18.03 O ATOM 92 H GLU A 26 39.423 -11.310 49.841 1.00 0.00 H ATOM 93 N TRP A 27 36.900 -12.634 47.999 1.00 14.59 N ATOM 94 CA TRP A 27 36.050 -13.517 47.162 1.00 14.41 C ATOM 95 C TRP A 27 36.232 -14.948 47.704 1.00 15.74 C ATOM 96 O TRP A 27 36.921 -15.756 47.092 1.00 13.88 O ATOM 97 CB TRP A 27 36.507 -13.402 45.690 1.00 12.80 C ATOM 98 CG TRP A 27 36.679 -11.981 45.234 1.00 13.51 C ATOM 99 CD1 TRP A 27 37.856 -11.305 45.062 1.00 16.32 C ATOM 100 CD2 TRP A 27 35.628 -11.046 44.950 1.00 13.00 C ATOM 101 NE1 TRP A 27 37.599 -10.011 44.637 1.00 15.42 N ATOM 102 CE2 TRP A 27 36.241 -9.828 44.561 1.00 16.79 C ATOM 103 CE3 TRP A 27 34.217 -11.136 44.932 1.00 14.19 C ATOM 104 CZ2 TRP A 27 35.494 -8.711 44.154 1.00 15.86 C ATOM 105 CZ3 TRP A 27 33.479 -10.025 44.551 1.00 16.03 C ATOM 106 CH2 TRP A 27 34.118 -8.819 44.193 1.00 16.78 C ATOM 107 HE1 TRP A 27 38.319 -9.295 44.412 1.00 0.00 H ATOM 108 H TRP A 27 37.895 -12.895 48.152 1.00 0.00 H ATOM 109 N PRO A 28 35.747 -15.225 48.944 1.00 12.65 N ATOM 110 CA PRO A 28 36.085 -16.501 49.598 1.00 11.11 C ATOM 111 C PRO A 28 35.479 -17.756 48.955 1.00 15.50 C ATOM 112 O PRO A 28 35.883 -18.861 49.313 1.00 14.10 O ATOM 113 CB PRO A 28 35.625 -16.287 51.049 1.00 12.32 C ATOM 114 CG PRO A 28 34.525 -15.305 50.959 1.00 14.90 C ATOM 115 CD PRO A 28 34.938 -14.367 49.841 1.00 12.20 C ATOM 116 N TRP A 29 34.558 -17.592 47.994 1.00 12.54 N ATOM 117 CA TRP A 29 33.987 -18.707 47.230 1.00 12.78 C ATOM 118 C TRP A 29 34.875 -19.027 46.020 1.00 13.95 C ATOM 119 O TRP A 29 34.730 -20.094 45.429 1.00 11.92 O ATOM 120 CB TRP A 29 32.567 -18.379 46.753 1.00 12.30 C ATOM 121 CG TRP A 29 32.436 -17.002 46.164 1.00 13.88 C ATOM 122 CD1 TRP A 29 32.610 -16.645 44.859 1.00 16.69 C ATOM 123 CD2 TRP A 29 32.081 -15.802 46.868 1.00 14.21 C ATOM 124 NE1 TRP A 29 32.418 -15.289 44.710 1.00 16.66 N ATOM 125 CE2 TRP A 29 32.098 -14.744 45.929 1.00 17.84 C ATOM 126 CE3 TRP A 29 31.767 -15.514 48.216 1.00 15.79 C ATOM 127 CZ2 TRP A 29 31.766 -13.423 46.278 1.00 17.18 C ATOM 128 CZ3 TRP A 29 31.431 -14.208 48.556 1.00 17.55 C ATOM 129 CH2 TRP A 29 31.467 -13.176 47.599 1.00 17.89 C ATOM 130 HE1 TRP A 29 32.502 -14.762 43.817 1.00 0.00 H ATOM 131 H TRP A 29 34.233 -16.628 47.780 1.00 0.00 H ATOM 132 N GLN A 30 35.797 -18.113 45.651 1.00 11.08 N ATOM 133 CA GLN A 30 36.688 -18.337 44.489 1.00 10.70 C ATOM 134 C GLN A 30 37.702 -19.444 44.751 1.00 13.95 C ATOM 135 O GLN A 30 38.430 -19.392 45.738 1.00 13.46 O ATOM 136 CB GLN A 30 37.430 -17.033 44.081 1.00 11.61 C ATOM 137 CG GLN A 30 38.524 -17.259 42.985 1.00 12.95 C ATOM 138 CD GLN A 30 37.976 -17.084 41.583 1.00 17.51 C ATOM 139 OE1 GLN A 30 37.418 -16.038 41.252 1.00 11.19 O ATOM 140 NE2 GLN A 30 38.138 -18.090 40.722 1.00 11.73 N ATOM 141 HE22 GLN A 30 38.613 -18.964 41.026 1.00 0.00 H ATOM 142 HE21 GLN A 30 37.789 -18.001 39.746 1.00 0.00 H ATOM 143 H GLN A 30 35.884 -17.231 46.195 1.00 0.00 H ATOM 144 N VAL A 31 37.790 -20.417 43.832 1.00 9.67 N ATOM 145 CA VAL A 31 38.807 -21.452 43.922 1.00 9.45 C ATOM 146 C VAL A 31 39.660 -21.416 42.669 1.00 14.44 C ATOM 147 O VAL A 31 39.225 -20.923 41.627 1.00 13.53 O ATOM 148 CB VAL A 31 38.260 -22.887 44.165 1.00 13.19 C ATOM 149 CG1 VAL A 31 37.504 -22.993 45.495 1.00 12.14 C ATOM 150 CG2 VAL A 31 37.423 -23.397 42.975 1.00 12.87 C ATOM 151 H VAL A 31 37.117 -20.431 43.039 1.00 0.00 H ATOM 152 N THR A 32 40.841 -22.026 42.761 1.00 12.51 N ATOM 153 CA THR A 32 41.718 -22.290 41.635 1.00 12.27 C ATOM 154 C THR A 32 41.735 -23.794 41.450 1.00 15.89 C ATOM 155 O THR A 32 42.060 -24.533 42.379 1.00 15.23 O ATOM 156 CB THR A 32 43.130 -21.641 41.746 1.00 17.20 C ATOM 157 OG1 THR A 32 43.960 -22.181 40.712 1.00 14.14 O ATOM 158 CG2 THR A 32 43.790 -21.858 43.106 1.00 15.28 C ATOM 159 HG1 THR A 32 43.561 -21.976 39.829 1.00 0.00 H ATOM 160 H THR A 32 41.156 -22.334 43.703 1.00 0.00 H ATOM 161 N LEU A 33 41.312 -24.244 40.263 1.00 13.92 N ATOM 162 CA LEU A 33 41.296 -25.655 39.910 1.00 14.30 C ATOM 163 C LEU A 33 42.587 -25.928 39.149 1.00 16.84 C ATOM 164 O LEU A 33 42.899 -25.233 38.178 1.00 14.22 O ATOM 165 CB LEU A 33 40.035 -25.981 39.061 1.00 15.20 C ATOM 166 CG LEU A 33 39.919 -27.386 38.438 1.00 21.64 C ATOM 167 CD1 LEU A 33 39.755 -28.502 39.521 1.00 22.52 C ATOM 168 CD2 LEU A 33 38.739 -27.435 37.488 1.00 23.77 C ATOM 169 H LEU A 33 40.979 -23.553 39.560 1.00 0.00 H ATOM 170 N HIS A 34 43.369 -26.888 39.647 1.00 13.54 N ATOM 171 CA HIS A 34 44.627 -27.277 39.029 1.00 13.27 C ATOM 172 C HIS A 34 44.507 -28.648 38.413 1.00 18.72 C ATOM 173 O HIS A 34 43.732 -29.485 38.873 1.00 17.72 O ATOM 174 CB HIS A 34 45.762 -27.313 40.084 1.00 13.62 C ATOM 175 CG HIS A 34 46.334 -25.971 40.420 1.00 15.99 C ATOM 176 ND1 HIS A 34 47.682 -25.809 40.679 1.00 17.72 N ATOM 177 CD2 HIS A 34 45.716 -24.769 40.543 1.00 15.40 C ATOM 178 CE1 HIS A 34 47.847 -24.515 40.924 1.00 15.77 C ATOM 179 NE2 HIS A 34 46.690 -23.852 40.848 1.00 15.22 N ATOM 180 H HIS A 34 43.066 -27.378 40.513 1.00 0.00 H ATOM 181 N THR A 35 45.260 -28.860 37.356 1.00 16.59 N ATOM 182 CA THR A 35 45.418 -30.166 36.743 1.00 16.75 C ATOM 183 C THR A 35 46.829 -30.595 37.150 1.00 22.29 C ATOM 184 O THR A 35 47.699 -29.745 37.326 1.00 20.66 O ATOM 185 CB THR A 35 45.198 -30.168 35.220 1.00 21.29 C ATOM 186 OG1 THR A 35 45.424 -31.501 34.791 1.00 27.41 O ATOM 187 CG2 THR A 35 46.164 -29.258 34.467 1.00 18.35 C ATOM 188 HG1 THR A 35 45.294 -31.558 33.811 1.00 0.00 H ATOM 189 H THR A 35 45.767 -28.053 36.939 1.00 0.00 H ATOM 190 N THR A 36 47.059 -31.885 37.293 1.00 21.13 N ATOM 191 CA THR A 36 48.326 -32.489 37.688 1.00 23.79 C ATOM 192 C THR A 36 49.083 -33.105 36.466 1.00 32.89 C ATOM 193 O THR A 36 50.291 -33.323 36.544 1.00 31.84 O ATOM 194 CB THR A 36 47.862 -33.459 38.775 1.00 31.00 C ATOM 195 OG1 THR A 36 48.356 -33.034 40.039 1.00 33.43 O ATOM 196 CG2 THR A 36 48.146 -34.874 38.482 1.00 28.81 C ATOM 197 HG1 THR A 36 48.053 -33.665 40.739 1.00 0.00 H ATOM 198 H THR A 36 46.265 -32.530 37.107 1.00 0.00 H ATOM 199 N SER A 36A 48.377 -33.363 35.350 1.00 32.87 N ATOM 200 CA SER A 36A 48.861 -33.999 34.119 1.00 34.64 C ATOM 201 C SER A 36A 49.105 -33.045 32.948 1.00 38.88 C ATOM 202 O SER A 36A 48.183 -32.315 32.587 1.00 39.11 O ATOM 203 CB SER A 36A 47.764 -35.030 33.821 1.00 41.09 C ATOM 204 OG SER A 36A 48.043 -35.740 32.624 1.00 54.66 O ATOM 205 HG SER A 36A 47.322 -36.397 32.456 1.00 0.00 H ATOM 206 H SER A 36A 47.376 -33.080 35.361 1.00 0.00 H ATOM 207 N PRO A 36B 50.310 -33.030 32.315 1.00 35.60 N ATOM 208 CA PRO A 36B 51.522 -33.816 32.629 1.00 34.56 C ATOM 209 C PRO A 36B 52.278 -33.267 33.841 1.00 35.95 C ATOM 210 O PRO A 36B 52.951 -34.031 34.535 1.00 36.39 O ATOM 211 CB PRO A 36B 52.321 -33.754 31.318 1.00 36.30 C ATOM 212 CG PRO A 36B 51.972 -32.424 30.727 1.00 41.58 C ATOM 213 CD PRO A 36B 50.543 -32.123 31.166 1.00 37.56 C ATOM 214 N THR A 37 52.153 -31.941 34.097 1.00 29.36 N ATOM 215 CA THR A 37 52.731 -31.223 35.243 1.00 27.70 C ATOM 216 C THR A 37 51.607 -30.387 35.880 1.00 26.76 C ATOM 217 O THR A 37 50.603 -30.098 35.224 1.00 24.81 O ATOM 218 CB THR A 37 53.890 -30.297 34.814 1.00 38.41 C ATOM 219 OG1 THR A 37 53.407 -29.371 33.839 1.00 42.86 O ATOM 220 CG2 THR A 37 55.093 -31.056 34.271 1.00 39.03 C ATOM 221 HG1 THR A 37 54.145 -28.774 33.559 1.00 0.00 H ATOM 222 H THR A 37 51.597 -31.380 33.420 1.00 0.00 H ATOM 223 N GLN A 38 51.777 -29.989 37.142 1.00 21.97 N ATOM 224 CA GLN A 38 50.748 -29.214 37.813 1.00 20.73 C ATOM 225 C GLN A 38 50.720 -27.758 37.398 1.00 23.13 C ATOM 226 O GLN A 38 51.743 -27.066 37.433 1.00 21.85 O ATOM 227 CB GLN A 38 50.821 -29.344 39.330 1.00 22.13 C ATOM 228 CG GLN A 38 49.567 -28.770 40.000 1.00 19.39 C ATOM 229 CD GLN A 38 49.564 -28.931 41.489 1.00 30.04 C ATOM 230 OE1 GLN A 38 50.024 -29.937 42.019 1.00 23.26 O ATOM 231 NE2 GLN A 38 48.975 -27.969 42.193 1.00 19.80 N ATOM 232 HE22 GLN A 38 48.596 -27.129 41.711 1.00 0.00 H ATOM 233 HE21 GLN A 38 48.893 -28.056 43.226 1.00 0.00 H ATOM 234 H GLN A 38 52.651 -30.235 37.648 1.00 0.00 H ATOM 235 N ARG A 39 49.520 -27.299 37.008 1.00 18.05 N ATOM 236 CA ARG A 39 49.288 -25.919 36.585 1.00 16.90 C ATOM 237 C ARG A 39 47.831 -25.545 36.858 1.00 18.66 C ATOM 238 O ARG A 39 46.981 -26.435 36.925 1.00 17.12 O ATOM 239 CB ARG A 39 49.625 -25.738 35.077 1.00 17.67 C ATOM 240 CG ARG A 39 48.797 -26.624 34.125 1.00 25.97 C ATOM 241 CD ARG A 39 48.749 -26.131 32.682 1.00 34.51 C ATOM 242 NE ARG A 39 47.569 -26.658 31.984 1.00 36.57 N ATOM 243 CZ ARG A 39 47.116 -26.229 30.807 1.00 43.24 C ATOM 244 NH1 ARG A 39 47.757 -25.271 30.148 1.00 29.74 N ATOM 245 NH2 ARG A 39 46.028 -26.766 30.273 1.00 25.80 N ATOM 246 HE ARG A 39 47.045 -27.428 32.446 1.00 0.00 H ATOM 247 HH12 ARG A 39 47.397 -24.941 29.230 1.00 0.00 H ATOM 248 HH11 ARG A 39 48.619 -24.850 30.550 1.00 0.00 H ATOM 249 HH22 ARG A 39 45.678 -26.427 29.354 1.00 0.00 H ATOM 250 HH21 ARG A 39 45.524 -27.526 30.773 1.00 0.00 H ATOM 251 H ARG A 39 48.715 -27.958 37.007 1.00 0.00 H ATOM 252 N HIS A 40 47.545 -24.241 36.975 1.00 14.57 N ATOM 253 CA HIS A 40 46.185 -23.724 37.138 1.00 13.83 C ATOM 254 C HIS A 40 45.448 -24.082 35.817 1.00 16.88 C ATOM 255 O HIS A 40 46.009 -23.927 34.718 1.00 15.60 O ATOM 256 CB HIS A 40 46.246 -22.191 37.297 1.00 13.75 C ATOM 257 CG HIS A 40 44.939 -21.495 37.045 1.00 15.58 C ATOM 258 ND1 HIS A 40 44.001 -21.331 38.058 1.00 15.76 N ATOM 259 CD2 HIS A 40 44.469 -20.916 35.909 1.00 15.72 C ATOM 260 CE1 HIS A 40 42.984 -20.687 37.504 1.00 14.94 C ATOM 261 NE2 HIS A 40 43.211 -20.427 36.210 1.00 15.39 N ATOM 262 H HIS A 40 48.331 -23.560 36.949 1.00 0.00 H ATOM 263 N LEU A 41 44.217 -24.561 35.931 1.00 14.36 N ATOM 264 CA LEU A 41 43.387 -24.911 34.779 1.00 13.71 C ATOM 265 C LEU A 41 42.239 -23.913 34.578 1.00 15.71 C ATOM 266 O LEU A 41 42.029 -23.404 33.469 1.00 14.76 O ATOM 267 CB LEU A 41 42.827 -26.335 34.972 1.00 13.69 C ATOM 268 CG LEU A 41 41.973 -26.941 33.865 1.00 17.68 C ATOM 269 CD1 LEU A 41 42.839 -27.291 32.622 1.00 17.25 C ATOM 270 CD2 LEU A 41 41.231 -28.180 34.387 1.00 19.57 C ATOM 271 H LEU A 41 43.823 -24.694 36.884 1.00 0.00 H ATOM 272 N CYS A 42 41.492 -23.638 35.652 1.00 12.70 N ATOM 273 CA CYS A 42 40.283 -22.829 35.583 1.00 12.46 C ATOM 274 C CYS A 42 39.955 -22.263 36.955 1.00 14.15 C ATOM 275 O CYS A 42 40.469 -22.729 37.968 1.00 12.68 O ATOM 276 CB CYS A 42 39.133 -23.736 35.118 1.00 13.15 C ATOM 277 SG CYS A 42 38.938 -23.862 33.315 1.00 17.97 S ATOM 278 H CYS A 42 41.786 -24.017 36.575 1.00 0.00 H ATOM 279 N GLY A 43 39.009 -21.342 36.971 1.00 11.04 N ATOM 280 CA GLY A 43 38.401 -20.860 38.206 1.00 10.10 C ATOM 281 C GLY A 43 37.205 -21.751 38.527 1.00 12.96 C ATOM 282 O GLY A 43 36.837 -22.640 37.744 1.00 10.23 O ATOM 283 H GLY A 43 38.684 -20.944 36.067 1.00 0.00 H ATOM 284 N GLY A 44 36.605 -21.512 39.682 1.00 11.22 N ATOM 285 CA GLY A 44 35.416 -22.210 40.149 1.00 10.88 C ATOM 286 C GLY A 44 34.887 -21.482 41.362 1.00 14.41 C ATOM 287 O GLY A 44 35.574 -20.599 41.911 1.00 12.71 O ATOM 288 H GLY A 44 37.010 -20.777 40.297 1.00 0.00 H ATOM 289 N SER A 45 33.667 -21.840 41.778 1.00 11.54 N ATOM 290 CA SER A 45 33.024 -21.243 42.960 1.00 10.88 C ATOM 291 C SER A 45 32.512 -22.305 43.925 1.00 13.52 C ATOM 292 O SER A 45 31.835 -23.252 43.514 1.00 11.88 O ATOM 293 CB SER A 45 31.848 -20.359 42.561 1.00 13.24 C ATOM 294 OG SER A 45 32.223 -19.355 41.636 1.00 13.68 O ATOM 295 HG SER A 45 32.581 -19.780 40.817 1.00 0.00 H ATOM 296 H SER A 45 33.152 -22.570 41.245 1.00 0.00 H ATOM 297 N ILE A 46 32.775 -22.105 45.213 1.00 10.05 N ATOM 298 CA ILE A 46 32.235 -22.982 46.260 1.00 10.30 C ATOM 299 C ILE A 46 30.731 -22.650 46.355 1.00 12.54 C ATOM 300 O ILE A 46 30.361 -21.480 46.556 1.00 11.83 O ATOM 301 CB ILE A 46 32.943 -22.735 47.641 1.00 12.43 C ATOM 302 CG1 ILE A 46 34.480 -22.983 47.575 1.00 12.39 C ATOM 303 CG2 ILE A 46 32.287 -23.604 48.733 1.00 11.90 C ATOM 304 CD1 ILE A 46 35.319 -22.462 48.866 1.00 11.71 C ATOM 305 H ILE A 46 33.380 -21.305 45.487 1.00 0.00 H ATOM 306 N ILE A 47 29.869 -23.654 46.200 1.00 11.18 N ATOM 307 CA ILE A 47 28.423 -23.427 46.348 1.00 10.56 C ATOM 308 C ILE A 47 27.810 -24.291 47.469 1.00 15.56 C ATOM 309 O ILE A 47 26.640 -24.128 47.811 1.00 13.49 O ATOM 310 CB ILE A 47 27.646 -23.571 45.006 1.00 13.75 C ATOM 311 CG1 ILE A 47 27.770 -24.999 44.423 1.00 13.45 C ATOM 312 CG2 ILE A 47 28.066 -22.475 43.993 1.00 14.71 C ATOM 313 CD1 ILE A 47 26.659 -25.352 43.410 1.00 16.99 C ATOM 314 H ILE A 47 30.221 -24.606 45.973 1.00 0.00 H ATOM 315 N GLY A 48 28.577 -25.251 47.959 1.00 14.39 N ATOM 316 CA GLY A 48 28.131 -26.187 48.991 1.00 14.51 C ATOM 317 C GLY A 48 29.345 -26.822 49.606 1.00 17.86 C ATOM 318 O GLY A 48 30.445 -26.640 49.083 1.00 16.51 O ATOM 319 H GLY A 48 29.546 -25.345 47.592 1.00 0.00 H ATOM 320 N ASN A 49 29.194 -27.556 50.728 1.00 15.24 N ATOM 321 CA ASN A 49 30.416 -28.004 51.414 1.00 15.24 C ATOM 322 C ASN A 49 31.169 -29.140 50.707 1.00 17.99 C ATOM 323 O ASN A 49 32.306 -29.402 51.067 1.00 18.03 O ATOM 324 CB ASN A 49 30.192 -28.295 52.904 1.00 19.12 C ATOM 325 CG ASN A 49 29.398 -29.501 53.273 1.00 36.83 C ATOM 326 OD1 ASN A 49 28.843 -30.216 52.439 1.00 25.70 O ATOM 327 ND2 ASN A 49 29.348 -29.757 54.569 1.00 38.42 N ATOM 328 HD22 ASN A 49 29.831 -29.128 55.242 1.00 0.00 H ATOM 329 HD21 ASN A 49 28.826 -30.587 54.915 1.00 0.00 H ATOM 330 H ASN A 49 28.250 -27.796 51.094 1.00 0.00 H ATOM 331 N GLN A 50 30.631 -29.711 49.623 1.00 14.45 N ATOM 332 CA GLN A 50 31.444 -30.663 48.853 1.00 14.17 C ATOM 333 C GLN A 50 31.276 -30.336 47.357 1.00 14.66 C ATOM 334 O GLN A 50 31.471 -31.196 46.511 1.00 13.40 O ATOM 335 CB GLN A 50 31.049 -32.125 49.193 1.00 15.29 C ATOM 336 CG GLN A 50 29.611 -32.495 48.787 1.00 29.55 C ATOM 337 CD GLN A 50 29.216 -33.930 49.121 1.00 51.89 C ATOM 338 OE1 GLN A 50 30.045 -34.785 49.457 1.00 45.57 O ATOM 339 NE2 GLN A 50 27.925 -34.222 49.037 1.00 41.23 N ATOM 340 HE22 GLN A 50 27.244 -33.490 48.753 1.00 0.00 H ATOM 341 HE21 GLN A 50 27.594 -35.183 49.255 1.00 0.00 H ATOM 342 H GLN A 50 29.658 -29.486 49.332 1.00 0.00 H ATOM 343 N TRP A 51 30.893 -29.091 47.042 1.00 13.13 N ATOM 344 CA TRP A 51 30.526 -28.717 45.677 1.00 13.12 C ATOM 345 C TRP A 51 31.170 -27.467 45.120 1.00 14.06 C ATOM 346 O TRP A 51 31.012 -26.372 45.675 1.00 11.76 O ATOM 347 CB TRP A 51 28.982 -28.553 45.583 1.00 12.84 C ATOM 348 CG TRP A 51 28.211 -29.817 45.860 1.00 14.45 C ATOM 349 CD1 TRP A 51 27.519 -30.125 47.003 1.00 17.79 C ATOM 350 CD2 TRP A 51 28.113 -30.970 45.004 1.00 13.74 C ATOM 351 NE1 TRP A 51 26.963 -31.388 46.892 1.00 17.02 N ATOM 352 CE2 TRP A 51 27.317 -31.930 45.679 1.00 17.89 C ATOM 353 CE3 TRP A 51 28.613 -31.284 43.724 1.00 14.90 C ATOM 354 CZ2 TRP A 51 26.965 -33.163 45.094 1.00 16.78 C ATOM 355 CZ3 TRP A 51 28.257 -32.500 43.142 1.00 16.28 C ATOM 356 CH2 TRP A 51 27.461 -33.435 43.837 1.00 16.70 C ATOM 357 HE1 TRP A 51 26.372 -31.852 47.611 1.00 0.00 H ATOM 358 H TRP A 51 30.856 -28.370 47.790 1.00 0.00 H ATOM 359 N ILE A 52 31.767 -27.620 43.939 1.00 11.12 N ATOM 360 CA ILE A 52 32.342 -26.510 43.171 1.00 10.39 C ATOM 361 C ILE A 52 31.539 -26.369 41.887 1.00 13.28 C ATOM 362 O ILE A 52 31.360 -27.361 41.172 1.00 13.43 O ATOM 363 CB ILE A 52 33.856 -26.730 42.825 1.00 12.22 C ATOM 364 CG1 ILE A 52 34.693 -26.988 44.093 1.00 12.31 C ATOM 365 CG2 ILE A 52 34.432 -25.559 41.947 1.00 11.52 C ATOM 366 CD1 ILE A 52 34.661 -25.841 45.201 1.00 6.79 C ATOM 367 H ILE A 52 31.829 -28.578 43.540 1.00 0.00 H ATOM 368 N LEU A 53 31.124 -25.143 41.560 1.00 10.44 N ATOM 369 CA LEU A 53 30.442 -24.873 40.292 1.00 10.78 C ATOM 370 C LEU A 53 31.474 -24.232 39.354 1.00 13.76 C ATOM 371 O LEU A 53 32.184 -23.306 39.761 1.00 12.66 O ATOM 372 CB LEU A 53 29.237 -23.946 40.492 1.00 10.36 C ATOM 373 CG LEU A 53 28.260 -23.879 39.276 1.00 13.46 C ATOM 374 CD1 LEU A 53 27.603 -25.246 38.992 1.00 10.94 C ATOM 375 CD2 LEU A 53 27.198 -22.805 39.487 1.00 12.00 C ATOM 376 H LEU A 53 31.289 -24.359 42.223 1.00 0.00 H ATOM 377 N THR A 54 31.587 -24.743 38.121 1.00 10.13 N ATOM 378 CA THR A 54 32.587 -24.268 37.159 1.00 9.45 C ATOM 379 C THR A 54 32.035 -24.467 35.729 1.00 12.77 C ATOM 380 O THR A 54 30.847 -24.778 35.566 1.00 10.53 O ATOM 381 CB THR A 54 33.933 -24.981 37.443 1.00 14.92 C ATOM 382 OG1 THR A 54 34.980 -24.412 36.637 1.00 13.46 O ATOM 383 CG2 THR A 54 33.845 -26.512 37.257 1.00 10.97 C ATOM 384 HG1 THR A 54 35.073 -23.450 36.850 1.00 0.00 H ATOM 385 H THR A 54 30.941 -25.506 37.835 1.00 0.00 H ATOM 386 N ALA A 55 32.878 -24.253 34.718 1.00 9.40 N ATOM 387 CA ALA A 55 32.472 -24.388 33.320 1.00 10.56 C ATOM 388 C ALA A 55 32.788 -25.784 32.804 1.00 15.07 C ATOM 389 O ALA A 55 33.836 -26.346 33.137 1.00 14.54 O ATOM 390 CB ALA A 55 33.173 -23.328 32.454 1.00 11.42 C ATOM 391 H ALA A 55 33.859 -23.981 34.932 1.00 0.00 H ATOM 392 N ALA A 56 31.879 -26.343 31.995 1.00 11.85 N ATOM 393 CA ALA A 56 32.076 -27.652 31.381 1.00 11.06 C ATOM 394 C ALA A 56 33.298 -27.671 30.440 1.00 13.91 C ATOM 395 O ALA A 56 34.004 -28.677 30.399 1.00 12.66 O ATOM 396 CB ALA A 56 30.823 -28.071 30.617 1.00 10.95 C ATOM 397 H ALA A 56 30.999 -25.825 31.797 1.00 0.00 H ATOM 398 N HIS A 57 33.556 -26.575 29.686 1.00 11.23 N ATOM 399 CA HIS A 57 34.671 -26.552 28.718 1.00 10.15 C ATOM 400 C HIS A 57 36.060 -26.701 29.388 1.00 13.00 C ATOM 401 O HIS A 57 37.038 -27.033 28.715 1.00 12.32 O ATOM 402 CB HIS A 57 34.615 -25.318 27.793 1.00 9.65 C ATOM 403 CG HIS A 57 35.094 -24.069 28.474 1.00 12.15 C ATOM 404 ND1 HIS A 57 34.205 -23.131 28.945 1.00 13.36 N ATOM 405 CD2 HIS A 57 36.353 -23.691 28.809 1.00 14.21 C ATOM 406 CE1 HIS A 57 34.940 -22.187 29.522 1.00 13.73 C ATOM 407 NE2 HIS A 57 36.240 -22.497 29.489 1.00 14.46 N ATOM 408 H HIS A 57 32.956 -25.732 29.791 1.00 0.00 H ATOM 409 N CYS A 58 36.149 -26.437 30.695 1.00 11.90 N ATOM 410 CA CYS A 58 37.395 -26.628 31.463 1.00 12.59 C ATOM 411 C CYS A 58 37.912 -28.066 31.405 1.00 16.12 C ATOM 412 O CYS A 58 39.109 -28.283 31.599 1.00 16.07 O ATOM 413 CB CYS A 58 37.189 -26.206 32.915 1.00 13.28 C ATOM 414 SG CYS A 58 36.989 -24.426 33.122 1.00 17.38 S ATOM 415 H CYS A 58 35.306 -26.083 31.191 1.00 0.00 H ATOM 416 N PHE A 58A 37.013 -29.041 31.171 1.00 11.83 N ATOM 417 CA PHE A 58A 37.378 -30.455 31.222 1.00 11.41 C ATOM 418 C PHE A 58A 37.664 -31.065 29.868 1.00 16.38 C ATOM 419 O PHE A 58A 37.787 -32.287 29.764 1.00 14.66 O ATOM 420 CB PHE A 58A 36.325 -31.245 32.010 1.00 12.89 C ATOM 421 CG PHE A 58A 36.166 -30.576 33.359 1.00 14.15 C ATOM 422 CD1 PHE A 58A 37.143 -30.715 34.341 1.00 18.11 C ATOM 423 CD2 PHE A 58A 35.092 -29.726 33.609 1.00 15.72 C ATOM 424 CE1 PHE A 58A 37.063 -29.995 35.541 1.00 18.60 C ATOM 425 CE2 PHE A 58A 34.994 -29.031 34.816 1.00 18.56 C ATOM 426 CZ PHE A 58A 35.978 -29.173 35.777 1.00 17.98 C ATOM 427 H PHE A 58A 36.031 -28.780 30.948 1.00 0.00 H ATOM 428 N TYR A 58B 37.883 -30.213 28.852 1.00 14.26 N ATOM 429 CA TYR A 58B 38.229 -30.711 27.523 1.00 14.28 C ATOM 430 C TYR A 58B 39.540 -31.503 27.665 1.00 19.80 C ATOM 431 O TYR A 58B 40.520 -30.975 28.182 1.00 18.57 O ATOM 432 CB TYR A 58B 38.395 -29.543 26.514 1.00 15.36 C ATOM 433 CG TYR A 58B 38.798 -30.061 25.148 1.00 17.96 C ATOM 434 CD1 TYR A 58B 37.848 -30.594 24.280 1.00 20.01 C ATOM 435 CD2 TYR A 58B 40.142 -30.146 24.780 1.00 19.10 C ATOM 436 CE1 TYR A 58B 38.216 -31.154 23.058 1.00 21.03 C ATOM 437 CE2 TYR A 58B 40.525 -30.701 23.553 1.00 20.09 C ATOM 438 CZ TYR A 58B 39.551 -31.185 22.689 1.00 25.47 C ATOM 439 OH TYR A 58B 39.881 -31.735 21.482 1.00 24.28 O ATOM 440 HH TYR A 58B 40.467 -32.520 21.627 1.00 0.00 H ATOM 441 H TYR A 58B 37.805 -29.189 29.014 1.00 0.00 H ATOM 442 N GLY A 59 39.535 -32.766 27.257 1.00 20.53 N ATOM 443 CA GLY A 59 40.731 -33.605 27.368 1.00 22.69 C ATOM 444 C GLY A 59 41.056 -34.133 28.766 1.00 30.08 C ATOM 445 O GLY A 59 42.091 -34.786 28.945 1.00 30.08 O ATOM 446 H GLY A 59 38.666 -33.168 26.851 1.00 0.00 H ATOM 447 N VAL A 60 40.201 -33.839 29.787 1.00 25.04 N ATOM 448 CA VAL A 60 40.410 -34.349 31.153 1.00 23.11 C ATOM 449 C VAL A 60 39.721 -35.717 31.183 1.00 29.44 C ATOM 450 O VAL A 60 38.498 -35.804 31.098 1.00 29.97 O ATOM 451 CB VAL A 60 39.899 -33.375 32.265 1.00 23.52 C ATOM 452 CG1 VAL A 60 39.894 -34.046 33.640 1.00 22.82 C ATOM 453 CG2 VAL A 60 40.719 -32.088 32.294 1.00 22.00 C ATOM 454 H VAL A 60 39.376 -33.236 29.595 1.00 0.00 H ATOM 455 N GLU A 61 40.505 -36.779 31.260 1.00 28.68 N ATOM 456 CA GLU A 61 39.968 -38.146 31.220 1.00 29.78 C ATOM 457 C GLU A 61 39.556 -38.696 32.576 1.00 32.31 C ATOM 458 O GLU A 61 38.838 -39.698 32.636 1.00 32.75 O ATOM 459 CB GLU A 61 40.993 -39.092 30.561 1.00 31.61 C ATOM 460 H GLU A 61 41.532 -36.643 31.352 1.00 0.00 H ATOM 461 N SER A 62 39.994 -38.045 33.667 1.00 25.71 N ATOM 462 CA SER A 62 39.716 -38.549 35.003 1.00 23.80 C ATOM 463 C SER A 62 39.723 -37.434 36.044 1.00 23.18 C ATOM 464 O SER A 62 40.586 -36.559 35.975 1.00 22.06 O ATOM 465 CB SER A 62 40.779 -39.591 35.374 1.00 25.13 C ATOM 466 OG SER A 62 40.758 -39.917 36.752 1.00 27.82 O ATOM 467 HG SER A 62 41.459 -40.590 36.941 1.00 0.00 H ATOM 468 H SER A 62 40.540 -37.167 33.554 1.00 0.00 H ATOM 469 N PRO A 63 38.881 -37.536 37.096 1.00 19.86 N ATOM 470 CA PRO A 63 38.930 -36.527 38.173 1.00 19.62 C ATOM 471 C PRO A 63 40.180 -36.691 39.056 1.00 23.99 C ATOM 472 O PRO A 63 40.465 -35.820 39.868 1.00 21.42 O ATOM 473 CB PRO A 63 37.640 -36.790 38.966 1.00 20.79 C ATOM 474 CG PRO A 63 37.351 -38.234 38.749 1.00 25.86 C ATOM 475 CD PRO A 63 37.816 -38.540 37.342 1.00 21.71 C ATOM 476 N LYS A 64 40.924 -37.811 38.889 1.00 21.60 N ATOM 477 CA LYS A 64 42.142 -38.123 39.656 1.00 21.61 C ATOM 478 C LYS A 64 43.278 -37.149 39.426 1.00 24.17 C ATOM 479 O LYS A 64 44.137 -37.029 40.287 1.00 23.44 O ATOM 480 CB LYS A 64 42.612 -39.572 39.406 1.00 24.84 C ATOM 481 CG LYS A 64 41.675 -40.615 39.991 1.00 42.81 C ATOM 482 CD LYS A 64 42.118 -42.028 39.634 1.00 58.32 C ATOM 483 CE LYS A 64 41.123 -43.064 40.097 1.00 69.15 C ATOM 484 NZ LYS A 64 41.524 -44.432 39.675 1.00 81.08 N ATOM 485 HZ1 LYS A 64 41.581 -44.471 38.637 1.00 0.00 H ATOM 486 HZ2 LYS A 64 42.453 -44.661 40.083 1.00 0.00 H ATOM 487 HZ3 LYS A 64 40.818 -45.118 40.010 1.00 0.00 H ATOM 488 H LYS A 64 40.614 -38.496 38.171 1.00 0.00 H ATOM 489 N ILE A 65 43.274 -36.433 38.292 1.00 19.82 N ATOM 490 CA ILE A 65 44.306 -35.452 37.966 1.00 19.63 C ATOM 491 C ILE A 65 43.967 -34.044 38.489 1.00 20.52 C ATOM 492 O ILE A 65 44.749 -33.129 38.278 1.00 19.79 O ATOM 493 CB ILE A 65 44.640 -35.444 36.442 1.00 23.76 C ATOM 494 CG1 ILE A 65 43.436 -34.921 35.595 1.00 24.24 C ATOM 495 CG2 ILE A 65 45.147 -36.845 35.986 1.00 26.72 C ATOM 496 CD1 ILE A 65 43.709 -34.565 34.152 1.00 32.10 C ATOM 497 H ILE A 65 42.500 -36.583 37.613 1.00 0.00 H ATOM 498 N LEU A 65A 42.805 -33.865 39.143 1.00 15.33 N ATOM 499 CA LEU A 65A 42.366 -32.530 39.578 1.00 15.08 C ATOM 500 C LEU A 65A 42.639 -32.227 41.031 1.00 18.65 C ATOM 501 O LEU A 65A 42.547 -33.118 41.871 1.00 18.23 O ATOM 502 CB LEU A 65A 40.843 -32.359 39.328 1.00 14.24 C ATOM 503 CG LEU A 65A 40.359 -32.484 37.876 1.00 17.12 C ATOM 504 CD1 LEU A 65A 38.834 -32.312 37.811 1.00 16.13 C ATOM 505 CD2 LEU A 65A 41.052 -31.443 36.967 1.00 17.78 C ATOM 506 H LEU A 65A 42.204 -34.689 39.346 1.00 0.00 H ATOM 507 N ARG A 65B 42.947 -30.954 41.330 1.00 14.82 N ATOM 508 CA ARG A 65B 43.129 -30.470 42.697 1.00 14.26 C ATOM 509 C ARG A 65B 42.427 -29.141 42.811 1.00 16.65 C ATOM 510 O ARG A 65B 42.659 -28.236 42.005 1.00 15.57 O ATOM 511 CB ARG A 65B 44.612 -30.303 43.107 1.00 14.62 C ATOM 512 CG ARG A 65B 45.424 -31.571 43.059 1.00 19.28 C ATOM 513 CD ARG A 65B 46.857 -31.341 43.475 1.00 17.62 C ATOM 514 NE ARG A 65B 47.495 -32.624 43.782 1.00 23.75 N ATOM 515 CZ ARG A 65B 48.661 -32.752 44.403 1.00 37.65 C ATOM 516 NH1 ARG A 65B 49.345 -31.679 44.776 1.00 27.79 N ATOM 517 NH2 ARG A 65B 49.147 -33.953 44.668 1.00 27.35 N ATOM 518 HE ARG A 65B 47.001 -33.493 43.494 1.00 0.00 H ATOM 519 HH12 ARG A 65B 50.258 -31.787 45.262 1.00 0.00 H ATOM 520 HH11 ARG A 65B 48.969 -30.729 44.582 1.00 0.00 H ATOM 521 HH22 ARG A 65B 50.061 -34.048 45.155 1.00 0.00 H ATOM 522 HH21 ARG A 65B 48.615 -34.802 44.390 1.00 0.00 H ATOM 523 H ARG A 65B 43.062 -30.278 40.548 1.00 0.00 H ATOM 524 N VAL A 66 41.583 -29.020 43.823 1.00 13.25 N ATOM 525 CA VAL A 66 40.853 -27.784 44.095 1.00 12.21 C ATOM 526 C VAL A 66 41.518 -27.109 45.290 1.00 14.64 C ATOM 527 O VAL A 66 41.564 -27.691 46.378 1.00 13.91 O ATOM 528 CB VAL A 66 39.337 -28.049 44.345 1.00 15.56 C ATOM 529 CG1 VAL A 66 38.621 -26.785 44.811 1.00 15.86 C ATOM 530 CG2 VAL A 66 38.658 -28.617 43.094 1.00 15.23 C ATOM 531 H VAL A 66 41.433 -29.837 44.449 1.00 0.00 H ATOM 532 N TYR A 67 41.968 -25.861 45.108 1.00 11.81 N ATOM 533 CA TYR A 67 42.555 -25.072 46.199 1.00 11.49 C ATOM 534 C TYR A 67 41.625 -23.922 46.531 1.00 14.73 C ATOM 535 O TYR A 67 41.234 -23.174 45.643 1.00 13.38 O ATOM 536 CB TYR A 67 43.933 -24.524 45.804 1.00 12.35 C ATOM 537 CG TYR A 67 44.983 -25.589 45.585 1.00 12.43 C ATOM 538 CD1 TYR A 67 45.821 -25.991 46.621 1.00 13.64 C ATOM 539 CD2 TYR A 67 45.199 -26.132 44.322 1.00 12.75 C ATOM 540 CE1 TYR A 67 46.830 -26.929 46.413 1.00 14.20 C ATOM 541 CE2 TYR A 67 46.185 -27.096 44.108 1.00 13.98 C ATOM 542 CZ TYR A 67 46.990 -27.501 45.160 1.00 17.10 C ATOM 543 OH TYR A 67 47.989 -28.417 44.948 1.00 14.24 O ATOM 544 HH TYR A 67 48.462 -28.591 45.800 1.00 0.00 H ATOM 545 H TYR A 67 41.899 -25.436 44.161 1.00 0.00 H ATOM 546 N SER A 68 41.234 -23.815 47.803 1.00 12.78 N ATOM 547 CA SER A 68 40.378 -22.741 48.303 1.00 12.72 C ATOM 548 C SER A 68 41.206 -21.882 49.267 1.00 16.39 C ATOM 549 O SER A 68 42.289 -22.306 49.682 1.00 15.38 O ATOM 550 CB SER A 68 39.161 -23.315 49.021 1.00 14.75 C ATOM 551 OG SER A 68 39.576 -24.186 50.064 1.00 19.19 O ATOM 552 HG SER A 68 40.129 -23.682 50.712 1.00 0.00 H ATOM 553 H SER A 68 41.557 -24.538 48.477 1.00 0.00 H ATOM 554 N GLY A 69 40.698 -20.699 49.603 1.00 13.13 N ATOM 555 CA GLY A 69 41.373 -19.776 50.517 1.00 13.81 C ATOM 556 C GLY A 69 42.717 -19.295 50.000 1.00 18.35 C ATOM 557 O GLY A 69 43.659 -19.100 50.772 1.00 18.00 O ATOM 558 H GLY A 69 39.782 -20.418 49.199 1.00 0.00 H ATOM 559 N ILE A 70 42.839 -19.193 48.677 1.00 14.41 N ATOM 560 CA ILE A 70 44.074 -18.759 48.029 1.00 14.78 C ATOM 561 C ILE A 70 43.911 -17.335 47.523 1.00 17.56 C ATOM 562 O ILE A 70 42.964 -17.060 46.800 1.00 15.41 O ATOM 563 CB ILE A 70 44.464 -19.725 46.846 1.00 18.25 C ATOM 564 CG1 ILE A 70 44.614 -21.202 47.311 1.00 19.52 C ATOM 565 CG2 ILE A 70 45.736 -19.244 46.069 1.00 17.55 C ATOM 566 CD1 ILE A 70 45.873 -21.550 48.257 1.00 22.48 C ATOM 567 H ILE A 70 42.021 -19.432 48.081 1.00 0.00 H ATOM 568 N LEU A 71 44.901 -16.465 47.796 1.00 13.69 N ATOM 569 CA LEU A 71 44.944 -15.160 47.172 1.00 12.47 C ATOM 570 C LEU A 71 45.998 -15.241 46.063 1.00 15.59 C ATOM 571 O LEU A 71 45.740 -14.869 44.915 1.00 14.50 O ATOM 572 CB LEU A 71 45.302 -14.025 48.189 1.00 13.02 C ATOM 573 CG LEU A 71 45.538 -12.621 47.544 1.00 16.97 C ATOM 574 CD1 LEU A 71 44.261 -12.087 46.866 1.00 16.36 C ATOM 575 CD2 LEU A 71 46.102 -11.594 48.572 1.00 16.68 C ATOM 576 H LEU A 71 45.648 -16.735 48.467 1.00 0.00 H ATOM 577 N ASN A 72 47.190 -15.737 46.415 1.00 12.95 N ATOM 578 CA ASN A 72 48.326 -15.810 45.519 1.00 13.16 C ATOM 579 C ASN A 72 48.634 -17.228 45.106 1.00 16.41 C ATOM 580 O ASN A 72 48.711 -18.107 45.965 1.00 16.40 O ATOM 581 CB ASN A 72 49.556 -15.148 46.195 1.00 13.94 C ATOM 582 CG ASN A 72 49.384 -13.657 46.396 1.00 22.98 C ATOM 583 OD1 ASN A 72 49.128 -12.931 45.455 1.00 16.80 O ATOM 584 ND2 ASN A 72 49.525 -13.150 47.620 1.00 14.79 N ATOM 585 HD22 ASN A 72 49.744 -13.777 48.420 1.00 0.00 H ATOM 586 HD21 ASN A 72 49.416 -12.127 47.775 1.00 0.00 H ATOM 587 H ASN A 72 47.307 -16.090 47.386 1.00 0.00 H ATOM 588 N GLN A 73 48.822 -17.469 43.796 1.00 13.03 N ATOM 589 CA GLN A 73 49.208 -18.800 43.308 1.00 12.97 C ATOM 590 C GLN A 73 50.512 -19.294 43.983 1.00 17.48 C ATOM 591 O GLN A 73 50.700 -20.498 44.105 1.00 16.68 O ATOM 592 CB GLN A 73 49.359 -18.816 41.768 1.00 14.66 C ATOM 593 CG GLN A 73 48.031 -18.679 40.993 1.00 16.25 C ATOM 594 CD GLN A 73 47.169 -19.928 41.005 1.00 20.67 C ATOM 595 OE1 GLN A 73 47.648 -21.060 41.128 1.00 16.09 O ATOM 596 NE2 GLN A 73 45.874 -19.757 40.817 1.00 11.63 N ATOM 597 HE22 GLN A 73 45.486 -18.798 40.715 1.00 0.00 H ATOM 598 HE21 GLN A 73 45.242 -20.582 40.771 1.00 0.00 H ATOM 599 H GLN A 73 48.691 -16.696 43.113 1.00 0.00 H ATOM 600 N SER A 74 51.408 -18.370 44.435 1.00 16.32 N ATOM 601 CA SER A 74 52.670 -18.748 45.123 1.00 17.07 C ATOM 602 C SER A 74 52.428 -19.420 46.487 1.00 20.96 C ATOM 603 O SER A 74 53.346 -20.037 47.035 1.00 21.82 O ATOM 604 CB SER A 74 53.588 -17.536 45.282 1.00 20.97 C ATOM 605 OG SER A 74 52.952 -16.532 46.059 1.00 26.55 O ATOM 606 HG SER A 74 53.558 -15.755 46.153 1.00 0.00 H ATOM 607 H SER A 74 51.200 -17.361 44.293 1.00 0.00 H ATOM 608 N GLU A 75 51.183 -19.346 47.021 1.00 15.77 N ATOM 609 CA GLU A 75 50.805 -20.043 48.259 1.00 15.12 C ATOM 610 C GLU A 75 50.751 -21.557 48.009 1.00 19.63 C ATOM 611 O GLU A 75 50.728 -22.340 48.968 1.00 20.46 O ATOM 612 CB GLU A 75 49.412 -19.608 48.730 1.00 15.92 C ATOM 613 CG GLU A 75 49.331 -18.167 49.207 1.00 14.82 C ATOM 614 CD GLU A 75 47.913 -17.773 49.540 1.00 19.31 C ATOM 615 OE1 GLU A 75 47.477 -16.692 49.083 1.00 19.88 O ATOM 616 OE2 GLU A 75 47.230 -18.547 50.247 1.00 21.36 O ATOM 617 H GLU A 75 50.466 -18.772 46.534 1.00 0.00 H ATOM 618 N ILE A 76 50.682 -21.963 46.729 1.00 14.36 N ATOM 619 CA ILE A 76 50.551 -23.376 46.363 1.00 14.23 C ATOM 620 C ILE A 76 51.901 -24.033 46.115 1.00 19.45 C ATOM 621 O ILE A 76 52.580 -23.715 45.144 1.00 18.17 O ATOM 622 CB ILE A 76 49.583 -23.568 45.157 1.00 17.06 C ATOM 623 CG1 ILE A 76 48.170 -22.970 45.460 1.00 16.22 C ATOM 624 CG2 ILE A 76 49.527 -25.053 44.689 1.00 16.64 C ATOM 625 CD1 ILE A 76 47.253 -22.788 44.170 1.00 13.22 C ATOM 626 H ILE A 76 50.723 -21.250 45.973 1.00 0.00 H ATOM 627 N LYS A 77 52.239 -25.007 46.960 1.00 16.44 N ATOM 628 CA LYS A 77 53.444 -25.818 46.837 1.00 16.80 C ATOM 629 C LYS A 77 53.002 -27.251 47.050 1.00 21.18 C ATOM 630 O LYS A 77 51.807 -27.493 47.260 1.00 19.65 O ATOM 631 CB LYS A 77 54.484 -25.397 47.903 1.00 18.74 C ATOM 632 CG LYS A 77 55.066 -24.007 47.685 1.00 24.75 C ATOM 633 CD LYS A 77 56.056 -23.618 48.799 1.00 37.12 C ATOM 634 CE LYS A 77 57.442 -24.205 48.624 1.00 56.05 C ATOM 635 NZ LYS A 77 57.644 -25.411 49.468 1.00 69.74 N ATOM 636 HZ1 LYS A 77 57.522 -25.157 50.469 1.00 0.00 H ATOM 637 HZ2 LYS A 77 56.947 -26.137 49.206 1.00 0.00 H ATOM 638 HZ3 LYS A 77 58.604 -25.781 49.318 1.00 0.00 H ATOM 639 H LYS A 77 51.602 -25.201 47.759 1.00 0.00 H ATOM 640 N GLU A 78 53.947 -28.217 47.012 1.00 19.01 N ATOM 641 CA GLU A 78 53.623 -29.630 47.222 1.00 19.15 C ATOM 642 C GLU A 78 52.975 -29.900 48.580 1.00 20.18 C ATOM 643 O GLU A 78 52.149 -30.802 48.688 1.00 19.51 O ATOM 644 CB GLU A 78 54.887 -30.513 47.028 1.00 21.22 C ATOM 645 H GLU A 78 54.935 -27.949 46.828 1.00 0.00 H ATOM 646 N ASP A 79 53.305 -29.094 49.609 1.00 16.17 N ATOM 647 CA ASP A 79 52.768 -29.303 50.967 1.00 15.81 C ATOM 648 C ASP A 79 51.449 -28.530 51.218 1.00 18.99 C ATOM 649 O ASP A 79 50.940 -28.550 52.348 1.00 17.45 O ATOM 650 CB ASP A 79 53.840 -28.902 52.026 1.00 17.31 C ATOM 651 CG ASP A 79 54.201 -27.410 52.037 1.00 19.76 C ATOM 652 OD1 ASP A 79 53.679 -26.659 51.185 1.00 20.01 O ATOM 653 OD2 ASP A 79 55.023 -27.005 52.877 1.00 19.48 O ATOM 654 H ASP A 79 53.957 -28.302 49.441 1.00 0.00 H ATOM 655 N THR A 80 50.923 -27.820 50.184 1.00 15.99 N ATOM 656 CA THR A 80 49.680 -27.039 50.323 1.00 15.09 C ATOM 657 C THR A 80 48.473 -27.967 50.295 1.00 17.64 C ATOM 658 O THR A 80 48.358 -28.794 49.396 1.00 17.50 O ATOM 659 CB THR A 80 49.599 -25.904 49.278 1.00 17.89 C ATOM 660 OG1 THR A 80 50.741 -25.070 49.421 1.00 17.13 O ATOM 661 CG2 THR A 80 48.325 -25.040 49.424 1.00 15.99 C ATOM 662 HG1 THR A 80 50.699 -24.338 48.755 1.00 0.00 H ATOM 663 H THR A 80 51.413 -27.828 49.267 1.00 0.00 H ATOM 664 N SER A 81 47.566 -27.832 51.274 1.00 15.23 N ATOM 665 CA SER A 81 46.384 -28.683 51.287 1.00 15.75 C ATOM 666 C SER A 81 45.429 -28.303 50.139 1.00 17.67 C ATOM 667 O SER A 81 45.335 -27.140 49.750 1.00 15.87 O ATOM 668 CB SER A 81 45.678 -28.633 52.642 1.00 19.88 C ATOM 669 OG SER A 81 45.062 -27.369 52.816 1.00 32.68 O ATOM 670 HG SER A 81 44.399 -27.224 52.095 1.00 0.00 H ATOM 671 H SER A 81 47.706 -27.122 52.021 1.00 0.00 H ATOM 672 N PHE A 82 44.735 -29.304 49.608 1.00 16.04 N ATOM 673 CA PHE A 82 43.795 -29.155 48.505 1.00 16.15 C ATOM 674 C PHE A 82 42.646 -30.159 48.702 1.00 20.55 C ATOM 675 O PHE A 82 42.735 -31.047 49.555 1.00 19.91 O ATOM 676 CB PHE A 82 44.505 -29.415 47.160 1.00 17.25 C ATOM 677 CG PHE A 82 45.066 -30.816 47.009 1.00 19.12 C ATOM 678 CD1 PHE A 82 44.291 -31.840 46.472 1.00 20.96 C ATOM 679 CD2 PHE A 82 46.358 -31.117 47.435 1.00 21.01 C ATOM 680 CE1 PHE A 82 44.792 -33.143 46.371 1.00 22.87 C ATOM 681 CE2 PHE A 82 46.854 -32.421 47.346 1.00 24.51 C ATOM 682 CZ PHE A 82 46.067 -33.428 46.810 1.00 23.01 C ATOM 683 H PHE A 82 44.872 -30.255 50.005 1.00 0.00 H ATOM 684 N PHE A 83 41.610 -30.043 47.871 1.00 15.82 N ATOM 685 CA PHE A 83 40.490 -30.979 47.864 1.00 15.23 C ATOM 686 C PHE A 83 40.611 -31.825 46.614 1.00 17.64 C ATOM 687 O PHE A 83 40.794 -31.299 45.509 1.00 15.88 O ATOM 688 CB PHE A 83 39.122 -30.231 47.899 1.00 16.00 C ATOM 689 CG PHE A 83 38.907 -29.469 49.184 1.00 16.91 C ATOM 690 CD1 PHE A 83 39.324 -28.147 49.306 1.00 19.33 C ATOM 691 CD2 PHE A 83 38.365 -30.100 50.305 1.00 16.98 C ATOM 692 CE1 PHE A 83 39.194 -27.468 50.523 1.00 20.29 C ATOM 693 CE2 PHE A 83 38.239 -29.420 51.520 1.00 19.39 C ATOM 694 CZ PHE A 83 38.647 -28.108 51.619 1.00 18.20 C ATOM 695 H PHE A 83 41.599 -29.250 47.198 1.00 0.00 H ATOM 696 N GLY A 84 40.504 -33.135 46.799 1.00 15.53 N ATOM 697 CA GLY A 84 40.477 -34.070 45.686 1.00 14.69 C ATOM 698 C GLY A 84 39.087 -34.035 45.071 1.00 16.97 C ATOM 699 O GLY A 84 38.117 -33.643 45.728 1.00 15.47 O ATOM 700 H GLY A 84 40.437 -33.504 47.769 1.00 0.00 H ATOM 701 N VAL A 85 38.977 -34.429 43.816 1.00 15.05 N ATOM 702 CA VAL A 85 37.677 -34.459 43.134 1.00 13.92 C ATOM 703 C VAL A 85 37.222 -35.921 42.997 1.00 18.90 C ATOM 704 O VAL A 85 37.915 -36.737 42.385 1.00 18.31 O ATOM 705 CB VAL A 85 37.721 -33.720 41.772 1.00 16.89 C ATOM 706 CG1 VAL A 85 36.403 -33.886 41.017 1.00 16.69 C ATOM 707 CG2 VAL A 85 38.051 -32.224 41.956 1.00 16.32 C ATOM 708 H VAL A 85 39.830 -34.725 43.299 1.00 0.00 H ATOM 709 N GLN A 86 36.046 -36.221 43.534 1.00 15.95 N ATOM 710 CA GLN A 86 35.437 -37.539 43.483 1.00 17.06 C ATOM 711 C GLN A 86 34.720 -37.734 42.127 1.00 21.17 C ATOM 712 O GLN A 86 34.768 -38.816 41.539 1.00 19.52 O ATOM 713 CB GLN A 86 34.417 -37.636 44.634 1.00 18.89 C ATOM 714 CG GLN A 86 33.834 -39.020 44.843 1.00 33.73 C ATOM 715 CD GLN A 86 32.947 -39.025 46.052 1.00 48.20 C ATOM 716 OE1 GLN A 86 31.729 -39.097 45.946 1.00 49.08 O ATOM 717 NE2 GLN A 86 33.534 -38.919 47.225 1.00 44.11 N ATOM 718 HE22 GLN A 86 34.571 -38.860 47.284 1.00 0.00 H ATOM 719 HE21 GLN A 86 32.961 -38.895 48.093 1.00 0.00 H ATOM 720 H GLN A 86 35.527 -35.464 44.023 1.00 0.00 H ATOM 721 N GLU A 87 34.062 -36.680 41.637 1.00 16.53 N ATOM 722 CA GLU A 87 33.268 -36.763 40.424 1.00 16.64 C ATOM 723 C GLU A 87 33.202 -35.434 39.682 1.00 18.96 C ATOM 724 O GLU A 87 33.069 -34.381 40.301 1.00 18.04 O ATOM 725 CB GLU A 87 31.832 -37.182 40.843 1.00 18.31 C ATOM 726 CG GLU A 87 30.955 -37.733 39.730 1.00 29.53 C ATOM 727 CD GLU A 87 29.512 -38.029 40.120 1.00 42.82 C ATOM 728 OE1 GLU A 87 29.153 -37.880 41.313 1.00 30.98 O ATOM 729 OE2 GLU A 87 28.726 -38.378 39.211 1.00 36.51 O ATOM 730 H GLU A 87 34.120 -35.772 42.140 1.00 0.00 H ATOM 731 N ILE A 88 33.238 -35.507 38.347 1.00 14.89 N ATOM 732 CA ILE A 88 33.047 -34.371 37.443 1.00 13.63 C ATOM 733 C ILE A 88 31.637 -34.573 36.838 1.00 17.19 C ATOM 734 O ILE A 88 31.387 -35.598 36.213 1.00 17.49 O ATOM 735 CB ILE A 88 34.104 -34.274 36.303 1.00 15.74 C ATOM 736 CG1 ILE A 88 35.545 -34.148 36.845 1.00 15.47 C ATOM 737 CG2 ILE A 88 33.754 -33.070 35.363 1.00 15.58 C ATOM 738 CD1 ILE A 88 36.627 -34.561 35.770 1.00 15.91 C ATOM 739 H ILE A 88 33.415 -36.439 37.920 1.00 0.00 H ATOM 740 N ILE A 89 30.737 -33.617 37.034 1.00 12.80 N ATOM 741 CA ILE A 89 29.375 -33.708 36.509 1.00 12.71 C ATOM 742 C ILE A 89 29.209 -32.601 35.471 1.00 14.95 C ATOM 743 O ILE A 89 29.102 -31.437 35.825 1.00 14.48 O ATOM 744 CB ILE A 89 28.273 -33.652 37.622 1.00 15.89 C ATOM 745 CG1 ILE A 89 28.477 -34.747 38.694 1.00 16.37 C ATOM 746 CG2 ILE A 89 26.825 -33.680 37.023 1.00 16.95 C ATOM 747 CD1 ILE A 89 27.565 -34.532 39.987 1.00 18.18 C ATOM 748 H ILE A 89 31.010 -32.775 37.579 1.00 0.00 H ATOM 749 N ILE A 90 29.188 -32.973 34.202 1.00 11.64 N ATOM 750 CA ILE A 90 29.003 -32.026 33.101 1.00 12.03 C ATOM 751 C ILE A 90 27.546 -32.085 32.655 1.00 16.20 C ATOM 752 O ILE A 90 26.994 -33.179 32.550 1.00 16.58 O ATOM 753 CB ILE A 90 30.006 -32.380 31.955 1.00 15.48 C ATOM 754 CG1 ILE A 90 31.469 -32.001 32.384 1.00 16.02 C ATOM 755 CG2 ILE A 90 29.631 -31.702 30.605 1.00 14.75 C ATOM 756 CD1 ILE A 90 32.488 -32.874 31.700 1.00 23.77 C ATOM 757 H ILE A 90 29.308 -33.981 33.977 1.00 0.00 H ATOM 758 N HIS A 91 26.915 -30.921 32.396 1.00 12.18 N ATOM 759 CA HIS A 91 25.531 -30.889 31.908 1.00 11.77 C ATOM 760 C HIS A 91 25.447 -31.821 30.674 1.00 16.83 C ATOM 761 O HIS A 91 26.288 -31.708 29.774 1.00 13.72 O ATOM 762 CB HIS A 91 25.147 -29.455 31.496 1.00 11.77 C ATOM 763 CG HIS A 91 23.660 -29.277 31.366 1.00 13.85 C ATOM 764 ND1 HIS A 91 22.960 -29.807 30.291 1.00 14.45 N ATOM 765 CD2 HIS A 91 22.786 -28.674 32.204 1.00 14.37 C ATOM 766 CE1 HIS A 91 21.699 -29.467 30.486 1.00 13.62 C ATOM 767 NE2 HIS A 91 21.536 -28.817 31.639 1.00 13.79 N ATOM 768 H HIS A 91 27.421 -30.025 32.546 1.00 0.00 H ATOM 769 N ASP A 92 24.461 -32.734 30.610 1.00 15.05 N ATOM 770 CA ASP A 92 24.520 -33.637 29.468 1.00 16.84 C ATOM 771 C ASP A 92 24.025 -33.016 28.142 1.00 18.44 C ATOM 772 O ASP A 92 24.119 -33.688 27.119 1.00 17.92 O ATOM 773 CB ASP A 92 23.886 -35.002 29.755 1.00 21.00 C ATOM 774 CG ASP A 92 22.446 -34.954 30.116 1.00 30.91 C ATOM 775 OD1 ASP A 92 21.697 -34.227 29.434 1.00 31.73 O ATOM 776 OD2 ASP A 92 22.050 -35.686 31.059 1.00 30.38 O ATOM 777 H ASP A 92 23.709 -32.791 31.326 1.00 0.00 H ATOM 778 N GLN A 93 23.619 -31.729 28.119 1.00 12.67 N ATOM 779 CA GLN A 93 23.287 -31.098 26.830 1.00 13.29 C ATOM 780 C GLN A 93 24.521 -30.312 26.329 1.00 17.51 C ATOM 781 O GLN A 93 24.483 -29.699 25.266 1.00 18.03 O ATOM 782 CB GLN A 93 22.072 -30.168 26.944 1.00 14.23 C ATOM 783 CG GLN A 93 20.746 -30.924 26.848 1.00 14.49 C ATOM 784 CD GLN A 93 19.612 -29.991 27.122 1.00 16.69 C ATOM 785 OE1 GLN A 93 19.279 -29.722 28.273 1.00 12.97 O ATOM 786 NE2 GLN A 93 19.049 -29.407 26.087 1.00 12.28 N ATOM 787 HE22 GLN A 93 19.351 -29.654 25.123 1.00 0.00 H ATOM 788 HE21 GLN A 93 18.302 -28.698 26.233 1.00 0.00 H ATOM 789 H GLN A 93 23.541 -31.188 29.004 1.00 0.00 H ATOM 790 N TYR A 94 25.589 -30.269 27.135 1.00 13.27 N ATOM 791 CA TYR A 94 26.797 -29.524 26.754 1.00 11.42 C ATOM 792 C TYR A 94 27.507 -30.124 25.545 1.00 14.76 C ATOM 793 O TYR A 94 27.825 -31.307 25.550 1.00 14.49 O ATOM 794 CB TYR A 94 27.775 -29.373 27.944 1.00 11.33 C ATOM 795 CG TYR A 94 29.115 -28.798 27.522 1.00 11.36 C ATOM 796 CD1 TYR A 94 29.275 -27.427 27.314 1.00 12.64 C ATOM 797 CD2 TYR A 94 30.202 -29.629 27.276 1.00 11.99 C ATOM 798 CE1 TYR A 94 30.501 -26.897 26.896 1.00 11.06 C ATOM 799 CE2 TYR A 94 31.417 -29.118 26.813 1.00 13.11 C ATOM 800 CZ TYR A 94 31.565 -27.753 26.637 1.00 15.17 C ATOM 801 OH TYR A 94 32.761 -27.275 26.163 1.00 14.52 O ATOM 802 HH TYR A 94 32.716 -26.289 26.091 1.00 0.00 H ATOM 803 H TYR A 94 25.563 -30.771 28.045 1.00 0.00 H ATOM 804 N LYS A 95 27.823 -29.282 24.553 1.00 11.20 N ATOM 805 CA LYS A 95 28.610 -29.681 23.380 1.00 12.08 C ATOM 806 C LYS A 95 29.864 -28.766 23.325 1.00 15.66 C ATOM 807 O LYS A 95 30.969 -29.248 23.141 1.00 14.62 O ATOM 808 CB LYS A 95 27.769 -29.540 22.077 1.00 15.65 C ATOM 809 CG LYS A 95 28.559 -29.740 20.777 1.00 43.93 C ATOM 810 CD LYS A 95 28.932 -31.206 20.524 1.00 58.06 C ATOM 811 CE LYS A 95 29.906 -31.366 19.380 1.00 68.03 C ATOM 812 NZ LYS A 95 30.420 -32.761 19.279 1.00 74.36 N ATOM 813 HZ1 LYS A 95 30.909 -33.014 20.161 1.00 0.00 H ATOM 814 HZ2 LYS A 95 29.624 -33.412 19.123 1.00 0.00 H ATOM 815 HZ3 LYS A 95 31.085 -32.827 18.482 1.00 0.00 H ATOM 816 H LYS A 95 27.495 -28.297 24.617 1.00 0.00 H ATOM 817 N MET A 96 29.681 -27.447 23.508 1.00 13.34 N ATOM 818 CA MET A 96 30.792 -26.482 23.467 1.00 13.05 C ATOM 819 C MET A 96 30.363 -25.189 24.112 1.00 14.76 C ATOM 820 O MET A 96 29.173 -24.903 24.147 1.00 13.57 O ATOM 821 CB MET A 96 31.204 -26.215 22.009 1.00 14.98 C ATOM 822 CG MET A 96 30.074 -25.591 21.194 1.00 19.22 C ATOM 823 SD MET A 96 30.193 -25.993 19.458 1.00 24.93 S ATOM 824 CE MET A 96 31.668 -25.220 19.093 1.00 21.38 C ATOM 825 H MET A 96 28.719 -27.095 23.685 1.00 0.00 H ATOM 826 N ALA A 97 31.326 -24.382 24.586 1.00 12.63 N ATOM 827 CA ALA A 97 31.016 -23.129 25.282 1.00 12.68 C ATOM 828 C ALA A 97 30.079 -22.208 24.502 1.00 15.59 C ATOM 829 O ALA A 97 29.085 -21.724 25.059 1.00 13.06 O ATOM 830 CB ALA A 97 32.306 -22.395 25.676 1.00 13.69 C ATOM 831 H ALA A 97 32.321 -24.654 24.456 1.00 0.00 H ATOM 832 N GLU A 98 30.350 -22.029 23.204 1.00 13.19 N ATOM 833 CA GLU A 98 29.579 -21.131 22.333 1.00 12.82 C ATOM 834 C GLU A 98 28.130 -21.531 22.126 1.00 16.10 C ATOM 835 O GLU A 98 27.332 -20.674 21.768 1.00 15.86 O ATOM 836 CB GLU A 98 30.280 -20.951 20.986 1.00 13.83 C ATOM 837 CG GLU A 98 31.502 -20.052 21.045 1.00 16.60 C ATOM 838 CD GLU A 98 32.386 -20.267 19.832 1.00 26.15 C ATOM 839 OE1 GLU A 98 33.032 -21.333 19.743 1.00 28.31 O ATOM 840 OE2 GLU A 98 32.327 -19.430 18.909 1.00 20.79 O ATOM 841 H GLU A 98 31.148 -22.553 22.790 1.00 0.00 H ATOM 842 N SER A 99 27.774 -22.815 22.369 1.00 12.95 N ATOM 843 CA SER A 99 26.386 -23.280 22.217 1.00 13.51 C ATOM 844 C SER A 99 25.645 -23.383 23.553 1.00 18.70 C ATOM 845 O SER A 99 24.523 -23.873 23.581 1.00 19.11 O ATOM 846 CB SER A 99 26.352 -24.627 21.498 1.00 15.11 C ATOM 847 OG SER A 99 26.881 -24.436 20.203 1.00 21.78 O ATOM 848 HG SER A 99 26.871 -25.296 19.713 1.00 0.00 H ATOM 849 H SER A 99 28.503 -23.492 22.672 1.00 0.00 H ATOM 850 N GLY A 100 26.285 -22.972 24.651 1.00 15.41 N ATOM 851 CA GLY A 100 25.633 -22.982 25.961 1.00 13.66 C ATOM 852 C GLY A 100 25.764 -24.262 26.746 1.00 13.99 C ATOM 853 O GLY A 100 26.556 -25.137 26.381 1.00 13.01 O ATOM 854 H GLY A 100 27.267 -22.638 24.573 1.00 0.00 H ATOM 855 N TYR A 101 24.986 -24.366 27.863 1.00 10.46 N ATOM 856 CA TYR A 101 25.034 -25.497 28.811 1.00 10.76 C ATOM 857 C TYR A 101 26.454 -25.633 29.343 1.00 13.71 C ATOM 858 O TYR A 101 26.891 -26.734 29.686 1.00 11.90 O ATOM 859 CB TYR A 101 24.532 -26.820 28.169 1.00 11.77 C ATOM 860 CG TYR A 101 23.144 -26.693 27.579 1.00 14.99 C ATOM 861 CD1 TYR A 101 22.014 -26.696 28.394 1.00 17.46 C ATOM 862 CD2 TYR A 101 22.960 -26.541 26.207 1.00 16.78 C ATOM 863 CE1 TYR A 101 20.732 -26.554 27.857 1.00 19.16 C ATOM 864 CE2 TYR A 101 21.681 -26.434 25.655 1.00 19.06 C ATOM 865 CZ TYR A 101 20.573 -26.414 26.488 1.00 28.57 C ATOM 866 OH TYR A 101 19.316 -26.276 25.952 1.00 38.83 O ATOM 867 HH TYR A 101 18.646 -26.281 26.680 1.00 0.00 H ATOM 868 H TYR A 101 24.314 -23.597 28.059 1.00 0.00 H ATOM 869 N ASP A 102 27.198 -24.502 29.379 1.00 10.62 N ATOM 870 CA ASP A 102 28.594 -24.542 29.818 1.00 10.24 C ATOM 871 C ASP A 102 28.626 -24.478 31.334 1.00 13.66 C ATOM 872 O ASP A 102 28.907 -23.450 31.952 1.00 12.34 O ATOM 873 CB ASP A 102 29.430 -23.439 29.127 1.00 11.48 C ATOM 874 CG ASP A 102 30.918 -23.617 29.252 1.00 13.60 C ATOM 875 OD1 ASP A 102 31.358 -24.700 29.714 1.00 10.74 O ATOM 876 OD2 ASP A 102 31.652 -22.677 28.899 1.00 12.21 O ATOM 877 H ASP A 102 26.774 -23.597 29.092 1.00 0.00 H ATOM 878 N ILE A 103 28.323 -25.622 31.939 1.00 10.22 N ATOM 879 CA ILE A 103 28.217 -25.691 33.380 1.00 9.10 C ATOM 880 C ILE A 103 28.608 -27.090 33.834 1.00 13.74 C ATOM 881 O ILE A 103 28.277 -28.091 33.177 1.00 12.43 O ATOM 882 CB ILE A 103 26.778 -25.262 33.830 1.00 10.67 C ATOM 883 CG1 ILE A 103 26.689 -25.142 35.377 1.00 10.27 C ATOM 884 CG2 ILE A 103 25.667 -26.216 33.252 1.00 9.75 C ATOM 885 CD1 ILE A 103 25.373 -24.335 35.846 1.00 11.90 C ATOM 886 H ILE A 103 28.160 -26.477 31.370 1.00 0.00 H ATOM 887 N ALA A 104 29.337 -27.148 34.948 1.00 10.56 N ATOM 888 CA ALA A 104 29.782 -28.416 35.508 1.00 11.17 C ATOM 889 C ALA A 104 29.878 -28.309 37.011 1.00 13.89 C ATOM 890 O ALA A 104 30.097 -27.219 37.545 1.00 12.98 O ATOM 891 CB ALA A 104 31.146 -28.813 34.925 1.00 12.24 C ATOM 892 H ALA A 104 29.595 -26.264 35.430 1.00 0.00 H ATOM 893 N LEU A 105 29.711 -29.443 37.697 1.00 10.06 N ATOM 894 CA LEU A 105 29.904 -29.523 39.145 1.00 10.68 C ATOM 895 C LEU A 105 31.059 -30.453 39.442 1.00 14.22 C ATOM 896 O LEU A 105 31.238 -31.471 38.763 1.00 13.96 O ATOM 897 CB LEU A 105 28.641 -30.074 39.856 1.00 11.03 C ATOM 898 CG LEU A 105 27.475 -29.091 40.003 1.00 15.23 C ATOM 899 CD1 LEU A 105 26.131 -29.847 40.051 1.00 13.69 C ATOM 900 CD2 LEU A 105 27.665 -28.208 41.242 1.00 13.85 C ATOM 901 H LEU A 105 29.433 -30.302 37.182 1.00 0.00 H ATOM 902 N LEU A 106 31.832 -30.117 40.466 1.00 10.76 N ATOM 903 CA LEU A 106 32.870 -30.989 40.983 1.00 10.21 C ATOM 904 C LEU A 106 32.391 -31.408 42.351 1.00 15.17 C ATOM 905 O LEU A 106 32.123 -30.537 43.188 1.00 13.70 O ATOM 906 CB LEU A 106 34.220 -30.268 41.119 1.00 10.52 C ATOM 907 CG LEU A 106 34.766 -29.676 39.804 1.00 15.16 C ATOM 908 CD1 LEU A 106 36.110 -28.960 40.056 1.00 14.73 C ATOM 909 CD2 LEU A 106 34.883 -30.771 38.711 1.00 16.63 C ATOM 910 H LEU A 106 31.688 -29.191 40.917 1.00 0.00 H ATOM 911 N LYS A 107 32.243 -32.733 42.561 1.00 12.60 N ATOM 912 CA LYS A 107 31.902 -33.281 43.864 1.00 13.42 C ATOM 913 C LYS A 107 33.237 -33.574 44.513 1.00 15.45 C ATOM 914 O LYS A 107 34.032 -34.333 43.960 1.00 15.11 O ATOM 915 CB LYS A 107 31.050 -34.561 43.770 1.00 15.83 C ATOM 916 CG LYS A 107 30.571 -34.988 45.167 1.00 21.17 C ATOM 917 CD LYS A 107 29.729 -36.251 45.106 1.00 26.41 C ATOM 918 CE LYS A 107 29.273 -36.627 46.499 1.00 39.00 C ATOM 919 NZ LYS A 107 28.465 -37.870 46.490 1.00 51.28 N ATOM 920 HZ1 LYS A 107 27.624 -37.731 45.894 1.00 0.00 H ATOM 921 HZ2 LYS A 107 29.036 -38.651 46.108 1.00 0.00 H ATOM 922 HZ3 LYS A 107 28.170 -38.097 47.461 1.00 0.00 H ATOM 923 H LYS A 107 32.378 -33.385 41.762 1.00 0.00 H ATOM 924 N LEU A 108 33.506 -32.926 45.648 1.00 12.53 N ATOM 925 CA LEU A 108 34.788 -33.061 46.326 1.00 11.86 C ATOM 926 C LEU A 108 34.842 -34.335 47.165 1.00 17.09 C ATOM 927 O LEU A 108 33.816 -34.785 47.667 1.00 16.00 O ATOM 928 CB LEU A 108 35.085 -31.820 47.186 1.00 11.68 C ATOM 929 CG LEU A 108 35.068 -30.433 46.463 1.00 14.15 C ATOM 930 CD1 LEU A 108 35.326 -29.312 47.466 1.00 13.38 C ATOM 931 CD2 LEU A 108 36.094 -30.377 45.313 1.00 13.33 C ATOM 932 H LEU A 108 32.779 -32.307 46.060 1.00 0.00 H ATOM 933 N GLU A 109 36.037 -34.892 47.318 1.00 15.50 N ATOM 934 CA GLU A 109 36.272 -36.125 48.082 1.00 16.90 C ATOM 935 C GLU A 109 36.067 -35.925 49.569 1.00 20.98 C ATOM 936 O GLU A 109 35.700 -36.869 50.258 1.00 20.34 O ATOM 937 CB GLU A 109 37.675 -36.665 47.809 1.00 18.49 C ATOM 938 CG GLU A 109 37.713 -37.529 46.559 1.00 31.30 C ATOM 939 CD GLU A 109 39.073 -38.045 46.128 1.00 57.88 C ATOM 940 OE1 GLU A 109 40.103 -37.515 46.609 1.00 56.03 O ATOM 941 OE2 GLU A 109 39.106 -38.967 45.280 1.00 50.15 O ATOM 942 H GLU A 109 36.854 -34.429 46.871 1.00 0.00 H ATOM 943 N THR A 110 36.309 -34.699 50.065 1.00 16.82 N ATOM 944 CA THR A 110 36.131 -34.342 51.476 1.00 16.91 C ATOM 945 C THR A 110 35.336 -33.029 51.533 1.00 20.46 C ATOM 946 O THR A 110 35.192 -32.352 50.511 1.00 19.16 O ATOM 947 CB THR A 110 37.508 -34.219 52.207 1.00 23.07 C ATOM 948 OG1 THR A 110 38.352 -33.315 51.492 1.00 24.26 O ATOM 949 CG2 THR A 110 38.226 -35.577 52.362 1.00 22.25 C ATOM 950 HG1 THR A 110 39.222 -33.240 51.958 1.00 0.00 H ATOM 951 H THR A 110 36.641 -33.962 49.411 1.00 0.00 H ATOM 952 N THR A 111 34.848 -32.653 52.720 1.00 16.83 N ATOM 953 CA THR A 111 34.063 -31.429 52.859 1.00 17.60 C ATOM 954 C THR A 111 34.921 -30.212 53.199 1.00 20.92 C ATOM 955 O THR A 111 35.907 -30.313 53.933 1.00 18.35 O ATOM 956 CB THR A 111 32.895 -31.602 53.857 1.00 32.15 C ATOM 957 OG1 THR A 111 33.427 -31.709 55.164 1.00 33.82 O ATOM 958 CG2 THR A 111 32.021 -32.817 53.552 1.00 32.12 C ATOM 959 HG1 THR A 111 33.936 -30.888 55.380 1.00 0.00 H ATOM 960 H THR A 111 35.030 -33.242 53.558 1.00 0.00 H ATOM 961 N VAL A 112 34.504 -29.054 52.695 1.00 16.99 N ATOM 962 CA VAL A 112 35.159 -27.786 52.957 1.00 15.41 C ATOM 963 C VAL A 112 34.685 -27.330 54.335 1.00 19.45 C ATOM 964 O VAL A 112 33.476 -27.232 54.573 1.00 18.63 O ATOM 965 CB VAL A 112 34.770 -26.726 51.873 1.00 18.73 C ATOM 966 CG1 VAL A 112 35.346 -25.345 52.199 1.00 17.59 C ATOM 967 CG2 VAL A 112 35.179 -27.175 50.463 1.00 17.99 C ATOM 968 H VAL A 112 33.665 -29.057 52.081 1.00 0.00 H ATOM 969 N GLY A 113 35.627 -27.015 55.214 1.00 15.90 N ATOM 970 CA GLY A 113 35.288 -26.428 56.510 1.00 14.66 C ATOM 971 C GLY A 113 35.191 -24.932 56.277 1.00 18.90 C ATOM 972 O GLY A 113 36.180 -24.301 55.887 1.00 20.28 O ATOM 973 H GLY A 113 36.625 -27.189 54.977 1.00 0.00 H ATOM 974 N TYR A 114 34.007 -24.356 56.440 1.00 14.00 N ATOM 975 CA TYR A 114 33.821 -22.936 56.180 1.00 13.90 C ATOM 976 C TYR A 114 34.504 -22.045 57.220 1.00 17.99 C ATOM 977 O TYR A 114 34.529 -22.370 58.403 1.00 16.04 O ATOM 978 CB TYR A 114 32.333 -22.585 56.135 1.00 15.31 C ATOM 979 CG TYR A 114 31.534 -23.255 55.030 1.00 16.19 C ATOM 980 CD1 TYR A 114 32.154 -23.700 53.858 1.00 18.03 C ATOM 981 CD2 TYR A 114 30.151 -23.386 55.129 1.00 16.75 C ATOM 982 CE1 TYR A 114 31.419 -24.303 52.835 1.00 17.54 C ATOM 983 CE2 TYR A 114 29.407 -23.991 54.118 1.00 17.89 C ATOM 984 CZ TYR A 114 30.045 -24.437 52.969 1.00 23.04 C ATOM 985 OH TYR A 114 29.298 -24.979 51.960 1.00 23.14 O ATOM 986 HH TYR A 114 28.646 -24.308 51.637 1.00 0.00 H ATOM 987 H TYR A 114 33.199 -24.928 56.759 1.00 0.00 H ATOM 988 N GLY A 115 35.014 -20.918 56.759 1.00 14.87 N ATOM 989 CA GLY A 115 35.599 -19.893 57.613 1.00 15.22 C ATOM 990 C GLY A 115 35.701 -18.618 56.810 1.00 19.65 C ATOM 991 O GLY A 115 35.276 -18.593 55.651 1.00 18.02 O ATOM 992 H GLY A 115 34.997 -20.753 55.732 1.00 0.00 H ATOM 993 N ASP A 116 36.367 -17.592 57.372 1.00 17.39 N ATOM 994 CA ASP A 116 36.535 -16.287 56.716 1.00 17.25 C ATOM 995 C ASP A 116 37.386 -16.362 55.405 1.00 20.87 C ATOM 996 O ASP A 116 37.264 -15.478 54.561 1.00 21.23 O ATOM 997 CB ASP A 116 37.074 -15.250 57.741 1.00 19.35 C ATOM 998 CG ASP A 116 36.122 -14.982 58.923 1.00 26.50 C ATOM 999 OD1 ASP A 116 35.003 -14.495 58.675 1.00 20.92 O ATOM 1000 OD2 ASP A 116 36.523 -15.265 60.130 1.00 28.58 O ATOM 1001 H ASP A 116 36.783 -17.729 58.315 1.00 0.00 H ATOM 1002 N SER A 117 38.151 -17.452 55.175 1.00 16.35 N ATOM 1003 CA SER A 117 38.923 -17.599 53.920 1.00 16.19 C ATOM 1004 C SER A 117 38.239 -18.448 52.830 1.00 20.54 C ATOM 1005 O SER A 117 38.678 -18.431 51.678 1.00 20.11 O ATOM 1006 CB SER A 117 40.324 -18.142 54.198 1.00 18.37 C ATOM 1007 OG SER A 117 40.325 -19.541 54.438 1.00 26.29 O ATOM 1008 HG SER A 117 39.758 -19.740 55.225 1.00 0.00 H ATOM 1009 H SER A 117 38.198 -18.202 55.894 1.00 0.00 H ATOM 1010 N GLN A 118 37.210 -19.226 53.194 1.00 16.00 N ATOM 1011 CA GLN A 118 36.551 -20.142 52.252 1.00 14.56 C ATOM 1012 C GLN A 118 35.140 -20.409 52.698 1.00 17.62 C ATOM 1013 O GLN A 118 34.900 -20.990 53.767 1.00 15.05 O ATOM 1014 CB GLN A 118 37.360 -21.442 52.078 1.00 15.85 C ATOM 1015 CG GLN A 118 37.685 -22.166 53.402 1.00 18.66 C ATOM 1016 CD GLN A 118 38.716 -23.248 53.244 1.00 26.23 C ATOM 1017 OE1 GLN A 118 39.711 -23.088 52.537 1.00 22.15 O ATOM 1018 NE2 GLN A 118 38.544 -24.339 53.976 1.00 19.47 N ATOM 1019 HE22 GLN A 118 37.691 -24.443 54.563 1.00 0.00 H ATOM 1020 HE21 GLN A 118 39.262 -25.092 53.964 1.00 0.00 H ATOM 1021 H GLN A 118 36.867 -19.180 54.175 1.00 0.00 H ATOM 1022 N ARG A 119 34.193 -19.912 51.915 1.00 15.26 N ATOM 1023 CA ARG A 119 32.771 -20.063 52.225 1.00 15.95 C ATOM 1024 C ARG A 119 31.950 -19.973 50.947 1.00 18.08 C ATOM 1025 O ARG A 119 32.489 -19.502 49.944 1.00 16.51 O ATOM 1026 CB ARG A 119 32.316 -19.071 53.314 1.00 17.39 C ATOM 1027 CG ARG A 119 32.704 -17.645 53.067 1.00 20.12 C ATOM 1028 CD ARG A 119 32.499 -16.854 54.352 1.00 33.58 C ATOM 1029 NE ARG A 119 32.909 -15.452 54.257 1.00 42.97 N ATOM 1030 CZ ARG A 119 32.256 -14.518 53.570 1.00 54.89 C ATOM 1031 NH1 ARG A 119 31.191 -14.840 52.840 1.00 41.25 N ATOM 1032 NH2 ARG A 119 32.693 -13.265 53.564 1.00 38.39 N ATOM 1033 HE ARG A 119 33.772 -15.166 54.762 1.00 0.00 H ATOM 1034 HH12 ARG A 119 30.685 -14.105 52.306 1.00 0.00 H ATOM 1035 HH11 ARG A 119 30.864 -15.827 52.804 1.00 0.00 H ATOM 1036 HH22 ARG A 119 32.180 -12.538 53.026 1.00 0.00 H ATOM 1037 HH21 ARG A 119 33.549 -13.010 54.097 1.00 0.00 H ATOM 1038 H ARG A 119 34.469 -19.399 51.054 1.00 0.00 H ATOM 1039 N PRO A 120 30.680 -20.450 50.936 1.00 15.09 N ATOM 1040 CA PRO A 120 29.934 -20.491 49.669 1.00 13.99 C ATOM 1041 C PRO A 120 29.324 -19.178 49.260 1.00 17.21 C ATOM 1042 O PRO A 120 29.078 -18.305 50.084 1.00 16.10 O ATOM 1043 CB PRO A 120 28.820 -21.521 49.945 1.00 15.68 C ATOM 1044 CG PRO A 120 28.567 -21.407 51.411 1.00 19.40 C ATOM 1045 CD PRO A 120 29.890 -21.034 52.050 1.00 15.46 C ATOM 1046 N ILE A 121 29.076 -19.054 47.960 1.00 12.35 N ATOM 1047 CA ILE A 121 28.353 -17.924 47.434 1.00 11.25 C ATOM 1048 C ILE A 121 26.921 -18.464 47.201 1.00 17.09 C ATOM 1049 O ILE A 121 26.762 -19.624 46.782 1.00 14.12 O ATOM 1050 CB ILE A 121 28.999 -17.352 46.142 1.00 12.94 C ATOM 1051 CG1 ILE A 121 28.200 -16.126 45.632 1.00 13.09 C ATOM 1052 CG2 ILE A 121 29.187 -18.438 45.042 1.00 9.96 C ATOM 1053 CD1 ILE A 121 28.908 -15.297 44.484 1.00 14.07 C ATOM 1054 H ILE A 121 29.412 -19.790 47.307 1.00 0.00 H ATOM 1055 N CYS A 122 25.902 -17.637 47.500 1.00 17.11 N ATOM 1056 CA CYS A 122 24.493 -17.948 47.279 1.00 21.13 C ATOM 1057 C CYS A 122 24.243 -18.061 45.786 1.00 20.79 C ATOM 1058 O CYS A 122 24.738 -17.254 44.995 1.00 17.03 O ATOM 1059 CB CYS A 122 23.604 -16.849 47.867 1.00 26.61 C ATOM 1060 SG CYS A 122 23.706 -16.674 49.665 1.00 34.36 S ATOM 1061 H CYS A 122 26.134 -16.713 47.917 1.00 0.00 H ATOM 1062 N LEU A 123 23.397 -18.997 45.415 1.00 17.49 N ATOM 1063 CA LEU A 123 22.947 -19.115 44.037 1.00 18.25 C ATOM 1064 C LEU A 123 21.858 -18.057 43.866 1.00 23.36 C ATOM 1065 O LEU A 123 21.289 -17.636 44.878 1.00 22.22 O ATOM 1066 CB LEU A 123 22.349 -20.516 43.819 1.00 19.03 C ATOM 1067 CG LEU A 123 23.363 -21.665 43.774 1.00 23.44 C ATOM 1068 CD1 LEU A 123 22.652 -22.970 43.503 1.00 25.49 C ATOM 1069 CD2 LEU A 123 24.427 -21.425 42.694 1.00 22.51 C ATOM 1070 H LEU A 123 23.041 -19.669 46.124 1.00 0.00 H ATOM 1071 N PRO A 124 21.554 -17.578 42.642 1.00 22.61 N ATOM 1072 CA PRO A 124 20.440 -16.623 42.496 1.00 24.88 C ATOM 1073 C PRO A 124 19.096 -17.286 42.803 1.00 34.86 C ATOM 1074 O PRO A 124 18.966 -18.504 42.679 1.00 33.28 O ATOM 1075 CB PRO A 124 20.481 -16.231 41.005 1.00 26.26 C ATOM 1076 CG PRO A 124 21.713 -16.815 40.451 1.00 29.46 C ATOM 1077 CD PRO A 124 22.097 -17.964 41.326 1.00 24.42 C ATOM 1078 N SER A 125 18.107 -16.489 43.214 1.00 38.34 N ATOM 1079 CA SER A 125 16.752 -16.994 43.467 1.00 41.99 C ATOM 1080 C SER A 125 15.947 -16.905 42.163 1.00 51.67 C ATOM 1081 O SER A 125 16.199 -16.012 41.348 1.00 50.46 O ATOM 1082 CB SER A 125 16.060 -16.181 44.558 1.00 46.99 C ATOM 1083 OG SER A 125 16.880 -16.062 45.712 1.00 60.69 O ATOM 1084 HG SER A 125 16.405 -15.531 46.400 1.00 0.00 H ATOM 1085 H SER A 125 18.303 -15.478 43.360 1.00 0.00 H ATOM 1086 N LYS A 126 14.981 -17.829 41.968 1.00 53.91 N ATOM 1087 CA LYS A 126 14.093 -17.864 40.793 1.00 55.70 C ATOM 1088 C LYS A 126 13.306 -16.548 40.653 1.00 63.30 C ATOM 1089 O LYS A 126 13.072 -16.091 39.532 1.00 63.09 O ATOM 1090 CB LYS A 126 13.136 -19.059 40.874 1.00 58.62 C ATOM 1091 H LYS A 126 14.856 -18.563 42.694 1.00 0.00 H ATOM 1092 N GLY A 127 12.960 -15.940 41.796 1.00 62.56 N ATOM 1093 CA GLY A 127 12.273 -14.653 41.869 1.00 63.72 C ATOM 1094 C GLY A 127 13.157 -13.489 41.458 1.00 70.97 C ATOM 1095 O GLY A 127 12.655 -12.435 41.056 1.00 71.36 O ATOM 1096 H GLY A 127 13.196 -16.416 42.690 1.00 0.00 H ATOM 1097 N ASP A 128 14.489 -13.686 41.539 1.00 69.01 N ATOM 1098 CA ASP A 128 15.513 -12.706 41.173 1.00 69.35 C ATOM 1099 C ASP A 128 15.876 -12.731 39.660 1.00 72.68 C ATOM 1100 O ASP A 128 16.890 -12.152 39.262 1.00 72.22 O ATOM 1101 CB ASP A 128 16.762 -12.868 42.074 1.00 71.57 C ATOM 1102 CG ASP A 128 16.577 -12.497 43.541 1.00 84.21 C ATOM 1103 OD1 ASP A 128 15.432 -12.152 43.936 1.00 84.57 O ATOM 1104 OD2 ASP A 128 17.575 -12.551 44.296 1.00 91.54 O ATOM 1105 H ASP A 128 14.815 -14.609 41.890 1.00 0.00 H ATOM 1106 N ARG A 129 15.033 -13.374 38.817 1.00 68.55 N ATOM 1107 CA ARG A 129 15.216 -13.390 37.358 1.00 67.95 C ATOM 1108 C ARG A 129 14.920 -11.985 36.808 1.00 71.28 C ATOM 1109 O ARG A 129 15.474 -11.594 35.778 1.00 70.89 O ATOM 1110 CB ARG A 129 14.268 -14.401 36.696 1.00 67.96 C ATOM 1111 CG ARG A 129 14.807 -15.815 36.656 1.00 77.65 C ATOM 1112 CD ARG A 129 13.946 -16.734 35.815 1.00 84.84 C ATOM 1113 NE ARG A 129 14.337 -18.134 35.986 1.00 89.29 N ATOM 1114 CZ ARG A 129 13.892 -19.139 35.241 1.00104.32 C ATOM 1115 NH1 ARG A 129 13.034 -18.914 34.252 1.00 92.52 N ATOM 1116 NH2 ARG A 129 14.306 -20.378 35.472 1.00 92.75 N ATOM 1117 HE ARG A 129 15.012 -18.358 36.745 1.00 0.00 H ATOM 1118 HH12 ARG A 129 12.689 -19.706 33.672 1.00 0.00 H ATOM 1119 HH11 ARG A 129 12.707 -17.946 34.057 1.00 0.00 H ATOM 1120 HH22 ARG A 129 13.954 -21.162 34.886 1.00 0.00 H ATOM 1121 HH21 ARG A 129 14.982 -20.566 36.240 1.00 0.00 H ATOM 1122 H ARG A 129 14.219 -13.880 39.220 1.00 0.00 H ATOM 1123 N ASN A 130 14.046 -11.233 37.520 1.00 67.08 N ATOM 1124 CA ASN A 130 13.607 -9.879 37.188 1.00 66.44 C ATOM 1125 C ASN A 130 14.435 -8.768 37.860 1.00 68.42 C ATOM 1126 O ASN A 130 14.263 -7.598 37.500 1.00 68.66 O ATOM 1127 CB ASN A 130 12.115 -9.716 37.510 1.00 68.25 C ATOM 1128 H ASN A 130 13.651 -11.659 38.383 1.00 0.00 H ATOM 1129 N VAL A 131 15.330 -9.111 38.822 1.00 62.23 N ATOM 1130 CA VAL A 131 16.145 -8.085 39.497 1.00 60.31 C ATOM 1131 C VAL A 131 17.265 -7.581 38.574 1.00 59.87 C ATOM 1132 O VAL A 131 17.786 -8.340 37.748 1.00 58.48 O ATOM 1133 CB VAL A 131 16.668 -8.455 40.916 1.00 64.33 C ATOM 1134 CG1 VAL A 131 15.538 -8.911 41.838 1.00 64.23 C ATOM 1135 CG2 VAL A 131 17.789 -9.484 40.869 1.00 64.00 C ATOM 1136 H VAL A 131 15.442 -10.111 39.086 1.00 0.00 H ATOM 1137 N ILE A 132 17.593 -6.282 38.695 1.00 53.91 N ATOM 1138 CA ILE A 132 18.635 -5.637 37.900 1.00 52.01 C ATOM 1139 C ILE A 132 19.871 -5.504 38.785 1.00 49.66 C ATOM 1140 O ILE A 132 19.834 -4.807 39.802 1.00 49.29 O ATOM 1141 CB ILE A 132 18.171 -4.284 37.284 1.00 55.64 C ATOM 1142 CG1 ILE A 132 16.791 -4.415 36.583 1.00 56.32 C ATOM 1143 CG2 ILE A 132 19.228 -3.736 36.311 1.00 56.81 C ATOM 1144 CD1 ILE A 132 15.896 -3.161 36.688 1.00 64.61 C ATOM 1145 H ILE A 132 17.078 -5.707 39.391 1.00 0.00 H ATOM 1146 N TYR A 133 20.938 -6.237 38.437 1.00 40.20 N ATOM 1147 CA TYR A 133 22.172 -6.199 39.208 1.00 36.11 C ATOM 1148 C TYR A 133 23.048 -5.074 38.672 1.00 35.89 C ATOM 1149 O TYR A 133 23.358 -5.040 37.478 1.00 34.39 O ATOM 1150 CB TYR A 133 22.919 -7.543 39.146 1.00 35.34 C ATOM 1151 CG TYR A 133 22.180 -8.742 39.700 1.00 34.72 C ATOM 1152 CD1 TYR A 133 22.205 -9.035 41.063 1.00 36.42 C ATOM 1153 CD2 TYR A 133 21.540 -9.640 38.853 1.00 34.64 C ATOM 1154 CE1 TYR A 133 21.596 -10.186 41.568 1.00 36.44 C ATOM 1155 CE2 TYR A 133 20.907 -10.776 39.347 1.00 35.37 C ATOM 1156 CZ TYR A 133 20.942 -11.051 40.704 1.00 45.07 C ATOM 1157 OH TYR A 133 20.305 -12.175 41.177 1.00 50.30 O ATOM 1158 HH TYR A 133 20.421 -12.230 42.159 1.00 0.00 H ATOM 1159 H TYR A 133 20.883 -6.847 37.597 1.00 0.00 H ATOM 1160 N THR A 134 23.457 -4.161 39.559 1.00 29.86 N ATOM 1161 CA THR A 134 24.286 -3.011 39.191 1.00 29.19 C ATOM 1162 C THR A 134 25.689 -3.072 39.795 1.00 31.12 C ATOM 1163 O THR A 134 26.493 -2.168 39.545 1.00 31.30 O ATOM 1164 CB THR A 134 23.566 -1.700 39.567 1.00 38.30 C ATOM 1165 OG1 THR A 134 23.298 -1.712 40.972 1.00 38.90 O ATOM 1166 CG2 THR A 134 22.269 -1.486 38.777 1.00 36.18 C ATOM 1167 HG1 THR A 134 22.835 -0.874 41.226 1.00 0.00 H ATOM 1168 H THR A 134 23.174 -4.272 40.554 1.00 0.00 H ATOM 1169 N ASP A 135 25.990 -4.123 40.593 1.00 23.79 N ATOM 1170 CA ASP A 135 27.293 -4.255 41.253 1.00 22.58 C ATOM 1171 C ASP A 135 27.899 -5.670 41.012 1.00 23.86 C ATOM 1172 O ASP A 135 27.932 -6.505 41.915 1.00 23.17 O ATOM 1173 CB ASP A 135 27.128 -3.939 42.757 1.00 23.62 C ATOM 1174 CG ASP A 135 28.412 -3.802 43.553 1.00 28.23 C ATOM 1175 OD1 ASP A 135 29.494 -3.754 42.936 1.00 28.82 O ATOM 1176 OD2 ASP A 135 28.331 -3.711 44.792 1.00 35.32 O ATOM 1177 H ASP A 135 25.273 -4.862 40.743 1.00 0.00 H ATOM 1178 N CYS A 136 28.380 -5.907 39.786 1.00 18.51 N ATOM 1179 CA CYS A 136 28.907 -7.197 39.335 1.00 16.33 C ATOM 1180 C CYS A 136 30.389 -7.176 39.113 1.00 17.63 C ATOM 1181 O CYS A 136 30.920 -6.257 38.488 1.00 15.52 O ATOM 1182 CB CYS A 136 28.173 -7.670 38.085 1.00 15.77 C ATOM 1183 SG CYS A 136 26.391 -7.859 38.301 1.00 18.95 S ATOM 1184 H CYS A 136 28.380 -5.120 39.106 1.00 0.00 H ATOM 1185 N TRP A 137 31.051 -8.240 39.555 1.00 13.91 N ATOM 1186 CA TRP A 137 32.497 -8.370 39.461 1.00 13.86 C ATOM 1187 C TRP A 137 32.926 -9.727 38.917 1.00 15.93 C ATOM 1188 O TRP A 137 32.403 -10.770 39.335 1.00 13.46 O ATOM 1189 CB TRP A 137 33.109 -8.194 40.855 1.00 13.59 C ATOM 1190 CG TRP A 137 32.881 -6.829 41.461 1.00 14.84 C ATOM 1191 CD1 TRP A 137 31.726 -6.352 42.015 1.00 17.63 C ATOM 1192 CD2 TRP A 137 33.872 -5.813 41.659 1.00 14.50 C ATOM 1193 NE1 TRP A 137 31.925 -5.072 42.491 1.00 17.39 N ATOM 1194 CE2 TRP A 137 33.222 -4.704 42.253 1.00 18.77 C ATOM 1195 CE3 TRP A 137 35.226 -5.691 41.298 1.00 15.50 C ATOM 1196 CZ2 TRP A 137 33.892 -3.506 42.538 1.00 18.40 C ATOM 1197 CZ3 TRP A 137 35.894 -4.506 41.587 1.00 17.59 C ATOM 1198 CH2 TRP A 137 35.238 -3.444 42.232 1.00 18.49 C ATOM 1199 HE1 TRP A 137 31.206 -4.482 42.956 1.00 0.00 H ATOM 1200 H TRP A 137 30.510 -9.016 39.988 1.00 0.00 H ATOM 1201 N VAL A 138 33.923 -9.697 38.028 1.00 12.01 N ATOM 1202 CA VAL A 138 34.560 -10.883 37.463 1.00 11.75 C ATOM 1203 C VAL A 138 35.961 -10.999 38.085 1.00 14.95 C ATOM 1204 O VAL A 138 36.692 -10.002 38.191 1.00 13.98 O ATOM 1205 CB VAL A 138 34.517 -10.973 35.901 1.00 14.46 C ATOM 1206 CG1 VAL A 138 35.336 -9.868 35.226 1.00 13.81 C ATOM 1207 CG2 VAL A 138 34.978 -12.355 35.427 1.00 13.47 C ATOM 1208 H VAL A 138 34.268 -8.766 37.718 1.00 0.00 H ATOM 1209 N THR A 139 36.294 -12.207 38.557 1.00 10.29 N ATOM 1210 CA THR A 139 37.540 -12.483 39.254 1.00 10.19 C ATOM 1211 C THR A 139 38.270 -13.666 38.672 1.00 13.92 C ATOM 1212 O THR A 139 37.650 -14.554 38.082 1.00 13.49 O ATOM 1213 CB THR A 139 37.240 -12.718 40.773 1.00 15.22 C ATOM 1214 OG1 THR A 139 36.182 -13.696 40.897 1.00 13.99 O ATOM 1215 CG2 THR A 139 36.811 -11.425 41.482 1.00 13.28 C ATOM 1216 HG1 THR A 139 36.469 -14.545 40.477 1.00 0.00 H ATOM 1217 H THR A 139 35.625 -12.991 38.417 1.00 0.00 H ATOM 1218 N GLY A 140 39.579 -13.686 38.868 1.00 10.64 N ATOM 1219 CA GLY A 140 40.397 -14.805 38.426 1.00 11.53 C ATOM 1220 C GLY A 140 41.878 -14.506 38.344 1.00 15.26 C ATOM 1221 O GLY A 140 42.303 -13.352 38.502 1.00 12.93 O ATOM 1222 H GLY A 140 40.033 -12.883 39.349 1.00 0.00 H ATOM 1223 N TRP A 141 42.663 -15.559 38.043 1.00 12.58 N ATOM 1224 CA TRP A 141 44.125 -15.481 37.887 1.00 12.69 C ATOM 1225 C TRP A 141 44.523 -15.508 36.395 1.00 14.97 C ATOM 1226 O TRP A 141 45.681 -15.758 36.068 1.00 13.55 O ATOM 1227 CB TRP A 141 44.803 -16.649 38.618 1.00 11.41 C ATOM 1228 CG TRP A 141 44.696 -16.588 40.114 1.00 12.29 C ATOM 1229 CD1 TRP A 141 45.588 -16.018 40.980 1.00 14.81 C ATOM 1230 CD2 TRP A 141 43.680 -17.200 40.925 1.00 11.79 C ATOM 1231 NE1 TRP A 141 45.161 -16.190 42.280 1.00 14.07 N ATOM 1232 CE2 TRP A 141 43.997 -16.923 42.276 1.00 15.26 C ATOM 1233 CE3 TRP A 141 42.527 -17.965 40.639 1.00 12.83 C ATOM 1234 CZ2 TRP A 141 43.198 -17.369 43.343 1.00 14.11 C ATOM 1235 CZ3 TRP A 141 41.726 -18.394 41.699 1.00 13.26 C ATOM 1236 CH2 TRP A 141 42.069 -18.105 43.032 1.00 13.74 C ATOM 1237 HE1 TRP A 141 45.642 -15.824 43.127 1.00 0.00 H ATOM 1238 H TRP A 141 42.208 -16.485 37.913 1.00 0.00 H ATOM 1239 N GLY A 142 43.560 -15.252 35.516 1.00 12.58 N ATOM 1240 CA GLY A 142 43.780 -15.261 34.079 1.00 13.16 C ATOM 1241 C GLY A 142 44.661 -14.134 33.559 1.00 17.12 C ATOM 1242 O GLY A 142 45.092 -13.248 34.306 1.00 14.78 O ATOM 1243 H GLY A 142 42.607 -15.036 35.872 1.00 0.00 H ATOM 1244 N TYR A 143 44.920 -14.175 32.258 1.00 15.41 N ATOM 1245 CA TYR A 143 45.751 -13.223 31.516 1.00 15.58 C ATOM 1246 C TYR A 143 45.199 -11.812 31.655 1.00 19.03 C ATOM 1247 O TYR A 143 43.986 -11.636 31.754 1.00 16.71 O ATOM 1248 CB TYR A 143 45.719 -13.598 30.016 1.00 15.61 C ATOM 1249 CG TYR A 143 46.479 -14.837 29.593 1.00 16.70 C ATOM 1250 CD1 TYR A 143 46.880 -15.793 30.528 1.00 17.65 C ATOM 1251 CD2 TYR A 143 46.742 -15.089 28.248 1.00 16.98 C ATOM 1252 CE1 TYR A 143 47.514 -16.970 30.131 1.00 16.85 C ATOM 1253 CE2 TYR A 143 47.367 -16.266 27.841 1.00 17.39 C ATOM 1254 CZ TYR A 143 47.747 -17.204 28.785 1.00 22.98 C ATOM 1255 OH TYR A 143 48.403 -18.336 28.382 1.00 22.36 O ATOM 1256 HH TYR A 143 48.603 -18.899 29.171 1.00 0.00 H ATOM 1257 H TYR A 143 44.494 -14.954 31.716 1.00 0.00 H ATOM 1258 N ARG A 145 46.087 -10.817 31.612 1.00 18.57 N ATOM 1259 CA ARG A 145 45.753 -9.391 31.686 1.00 20.33 C ATOM 1260 C ARG A 145 45.644 -8.785 30.292 1.00 27.32 C ATOM 1261 O ARG A 145 45.258 -7.620 30.148 1.00 27.04 O ATOM 1262 CB ARG A 145 46.827 -8.632 32.472 1.00 21.38 C ATOM 1263 CG ARG A 145 46.871 -8.887 33.969 1.00 31.68 C ATOM 1264 CD ARG A 145 48.228 -8.402 34.467 1.00 42.25 C ATOM 1265 NE ARG A 145 49.299 -9.002 33.655 1.00 49.45 N ATOM 1266 CZ ARG A 145 50.602 -8.811 33.833 1.00 67.81 C ATOM 1267 NH1 ARG A 145 51.039 -8.017 34.805 1.00 57.47 N ATOM 1268 NH2 ARG A 145 51.480 -9.419 33.045 1.00 54.03 N ATOM 1269 HE ARG A 145 49.012 -9.628 32.876 1.00 0.00 H ATOM 1270 HH12 ARG A 145 52.060 -7.872 34.939 1.00 0.00 H ATOM 1271 HH11 ARG A 145 50.360 -7.541 35.432 1.00 0.00 H ATOM 1272 HH22 ARG A 145 52.499 -9.267 33.187 1.00 0.00 H ATOM 1273 HH21 ARG A 145 51.149 -10.047 32.285 1.00 0.00 H ATOM 1274 H ARG A 145 47.091 -11.072 31.519 1.00 0.00 H ATOM 1275 N LYS A 146 45.997 -9.585 29.277 1.00 26.65 N ATOM 1276 CA LYS A 146 45.987 -9.273 27.849 1.00 28.32 C ATOM 1277 C LYS A 146 46.022 -10.592 27.078 1.00 33.37 C ATOM 1278 O LYS A 146 46.422 -11.621 27.638 1.00 30.22 O ATOM 1279 CB LYS A 146 47.150 -8.333 27.441 1.00 31.42 C ATOM 1280 CG LYS A 146 48.525 -8.718 27.977 1.00 43.99 C ATOM 1281 CD LYS A 146 49.568 -7.669 27.620 1.00 57.76 C ATOM 1282 CE LYS A 146 50.966 -8.234 27.519 1.00 70.30 C ATOM 1283 NZ LYS A 146 51.533 -8.589 28.845 1.00 80.59 N ATOM 1284 HZ1 LYS A 146 51.573 -7.739 29.442 1.00 0.00 H ATOM 1285 HZ2 LYS A 146 50.930 -9.305 29.298 1.00 0.00 H ATOM 1286 HZ3 LYS A 146 52.492 -8.971 28.719 1.00 0.00 H ATOM 1287 H LYS A 146 46.316 -10.541 29.536 1.00 0.00 H ATOM 1288 N LEU A 147 45.603 -10.566 25.798 1.00 32.89 N ATOM 1289 CA LEU A 147 45.501 -11.760 24.960 1.00 34.09 C ATOM 1290 C LEU A 147 46.708 -12.700 25.037 1.00 36.61 C ATOM 1291 O LEU A 147 46.503 -13.899 25.197 1.00 36.18 O ATOM 1292 CB LEU A 147 45.172 -11.421 23.499 1.00 34.88 C ATOM 1293 CG LEU A 147 44.583 -12.578 22.678 1.00 39.90 C ATOM 1294 CD1 LEU A 147 43.264 -13.097 23.281 1.00 39.34 C ATOM 1295 CD2 LEU A 147 44.379 -12.156 21.233 1.00 43.66 C ATOM 1296 H LEU A 147 45.338 -9.649 25.384 1.00 0.00 H ATOM 1297 N ARG A 148 47.934 -12.179 24.956 1.00 31.78 N ATOM 1298 CA ARG A 148 49.122 -13.025 25.060 1.00 32.13 C ATOM 1299 C ARG A 148 49.832 -12.585 26.320 1.00 35.27 C ATOM 1300 O ARG A 148 50.425 -11.503 26.366 1.00 37.31 O ATOM 1301 CB ARG A 148 50.022 -12.906 23.810 1.00 35.30 C ATOM 1302 H ARG A 148 48.046 -11.155 24.817 1.00 0.00 H ATOM 1303 N ASP A 149 49.671 -13.378 27.381 1.00 27.53 N ATOM 1304 CA ASP A 149 50.211 -13.083 28.699 1.00 24.87 C ATOM 1305 C ASP A 149 50.474 -14.405 29.429 1.00 25.96 C ATOM 1306 O ASP A 149 50.830 -15.408 28.813 1.00 22.99 O ATOM 1307 CB ASP A 149 49.201 -12.182 29.461 1.00 25.78 C ATOM 1308 CG ASP A 149 49.709 -11.464 30.702 1.00 32.56 C ATOM 1309 OD1 ASP A 149 50.936 -11.222 30.797 1.00 34.19 O ATOM 1310 OD2 ASP A 149 48.881 -11.110 31.556 1.00 27.34 O ATOM 1311 H ASP A 149 49.129 -14.257 27.259 1.00 0.00 H ATOM 1312 N LYS A 150 50.330 -14.399 30.745 1.00 23.42 N ATOM 1313 CA LYS A 150 50.550 -15.573 31.570 1.00 22.40 C ATOM 1314 C LYS A 150 49.596 -15.503 32.755 1.00 21.95 C ATOM 1315 O LYS A 150 49.054 -14.435 33.054 1.00 20.55 O ATOM 1316 CB LYS A 150 52.027 -15.648 32.037 1.00 25.38 C ATOM 1317 CG LYS A 150 52.508 -14.442 32.832 1.00 44.04 C ATOM 1318 CD LYS A 150 53.754 -14.774 33.646 1.00 60.49 C ATOM 1319 CE LYS A 150 55.022 -14.179 33.074 1.00 78.33 C ATOM 1320 NZ LYS A 150 55.157 -12.733 33.396 1.00 87.01 N ATOM 1321 HZ1 LYS A 150 54.348 -12.214 33.000 1.00 0.00 H ATOM 1322 HZ2 LYS A 150 55.178 -12.609 34.428 1.00 0.00 H ATOM 1323 HZ3 LYS A 150 56.040 -12.368 32.984 1.00 0.00 H ATOM 1324 H LYS A 150 50.046 -13.513 31.209 1.00 0.00 H ATOM 1325 N ILE A 151 49.398 -16.638 33.431 1.00 18.26 N ATOM 1326 CA ILE A 151 48.554 -16.711 34.638 1.00 16.34 C ATOM 1327 C ILE A 151 49.164 -15.770 35.694 1.00 19.19 C ATOM 1328 O ILE A 151 50.386 -15.723 35.843 1.00 18.49 O ATOM 1329 CB ILE A 151 48.460 -18.197 35.120 1.00 17.81 C ATOM 1330 CG1 ILE A 151 47.657 -19.060 34.106 1.00 17.02 C ATOM 1331 CG2 ILE A 151 47.896 -18.347 36.559 1.00 17.38 C ATOM 1332 CD1 ILE A 151 46.288 -18.554 33.644 1.00 19.20 C ATOM 1333 H ILE A 151 49.858 -17.507 33.092 1.00 0.00 H ATOM 1334 N GLN A 152 48.321 -14.996 36.366 1.00 14.67 N ATOM 1335 CA GLN A 152 48.748 -14.037 37.371 1.00 15.15 C ATOM 1336 C GLN A 152 48.926 -14.684 38.738 1.00 19.68 C ATOM 1337 O GLN A 152 48.224 -15.643 39.070 1.00 17.37 O ATOM 1338 CB GLN A 152 47.731 -12.886 37.448 1.00 16.31 C ATOM 1339 CG GLN A 152 47.631 -12.111 36.116 1.00 24.44 C ATOM 1340 CD GLN A 152 48.979 -11.569 35.686 1.00 34.39 C ATOM 1341 OE1 GLN A 152 49.562 -10.736 36.369 1.00 32.12 O ATOM 1342 NE2 GLN A 152 49.532 -12.069 34.583 1.00 22.08 N ATOM 1343 HE22 GLN A 152 49.019 -12.775 34.018 1.00 0.00 H ATOM 1344 HE21 GLN A 152 50.477 -11.753 34.286 1.00 0.00 H ATOM 1345 H GLN A 152 47.304 -15.080 36.163 1.00 0.00 H ATOM 1346 N ASN A 153 49.868 -14.162 39.534 1.00 16.16 N ATOM 1347 CA ASN A 153 50.066 -14.678 40.882 1.00 15.57 C ATOM 1348 C ASN A 153 48.877 -14.282 41.763 1.00 17.46 C ATOM 1349 O ASN A 153 48.277 -15.150 42.411 1.00 16.90 O ATOM 1350 CB ASN A 153 51.384 -14.136 41.486 1.00 18.64 C ATOM 1351 CG ASN A 153 51.749 -14.751 42.811 1.00 24.07 C ATOM 1352 OD1 ASN A 153 51.517 -15.932 43.055 1.00 20.80 O ATOM 1353 ND2 ASN A 153 52.378 -13.973 43.680 1.00 19.08 N ATOM 1354 HD22 ASN A 153 52.562 -12.976 43.448 1.00 0.00 H ATOM 1355 HD21 ASN A 153 52.688 -14.359 44.594 1.00 0.00 H ATOM 1356 H ASN A 153 50.463 -13.382 39.187 1.00 0.00 H ATOM 1357 N THR A 154 48.513 -12.983 41.760 1.00 14.18 N ATOM 1358 CA THR A 154 47.442 -12.441 42.598 1.00 14.44 C ATOM 1359 C THR A 154 46.086 -12.465 41.933 1.00 17.98 C ATOM 1360 O THR A 154 45.955 -12.012 40.797 1.00 16.38 O ATOM 1361 CB THR A 154 47.795 -11.015 43.096 1.00 20.10 C ATOM 1362 OG1 THR A 154 49.124 -11.011 43.625 1.00 19.34 O ATOM 1363 CG2 THR A 154 46.827 -10.504 44.155 1.00 17.67 C ATOM 1364 HG1 THR A 154 49.179 -11.648 44.380 1.00 0.00 H ATOM 1365 H THR A 154 49.021 -12.331 41.128 1.00 0.00 H ATOM 1366 N LEU A 155 45.062 -12.940 42.668 1.00 14.28 N ATOM 1367 CA LEU A 155 43.678 -12.952 42.175 1.00 13.23 C ATOM 1368 C LEU A 155 43.275 -11.522 41.787 1.00 17.94 C ATOM 1369 O LEU A 155 43.369 -10.611 42.618 1.00 16.08 O ATOM 1370 CB LEU A 155 42.747 -13.448 43.293 1.00 11.92 C ATOM 1371 CG LEU A 155 41.269 -13.564 42.940 1.00 14.67 C ATOM 1372 CD1 LEU A 155 41.039 -14.597 41.827 1.00 13.86 C ATOM 1373 CD2 LEU A 155 40.465 -13.983 44.170 1.00 13.26 C ATOM 1374 H LEU A 155 45.258 -13.312 43.619 1.00 0.00 H ATOM 1375 N GLN A 156 42.813 -11.331 40.547 1.00 14.36 N ATOM 1376 CA GLN A 156 42.408 -10.000 40.081 1.00 13.25 C ATOM 1377 C GLN A 156 40.899 -9.885 40.119 1.00 17.60 C ATOM 1378 O GLN A 156 40.209 -10.899 40.105 1.00 15.89 O ATOM 1379 CB GLN A 156 42.898 -9.761 38.651 1.00 14.16 C ATOM 1380 CG GLN A 156 44.418 -9.920 38.491 1.00 17.19 C ATOM 1381 CD GLN A 156 45.172 -8.733 39.038 1.00 28.54 C ATOM 1382 OE1 GLN A 156 45.988 -8.839 39.968 1.00 30.18 O ATOM 1383 NE2 GLN A 156 44.905 -7.581 38.483 1.00 17.78 N ATOM 1384 HE22 GLN A 156 44.216 -7.525 37.706 1.00 0.00 H ATOM 1385 HE21 GLN A 156 45.381 -6.719 38.818 1.00 0.00 H ATOM 1386 H GLN A 156 42.739 -12.142 39.900 1.00 0.00 H ATOM 1387 N LYS A 157 40.396 -8.647 40.129 1.00 12.68 N ATOM 1388 CA LYS A 157 38.974 -8.341 40.103 1.00 13.28 C ATOM 1389 C LYS A 157 38.724 -7.188 39.152 1.00 16.42 C ATOM 1390 O LYS A 157 39.589 -6.319 39.010 1.00 15.76 O ATOM 1391 CB LYS A 157 38.471 -7.961 41.512 1.00 15.09 C ATOM 1392 CG LYS A 157 39.178 -6.732 42.104 1.00 17.28 C ATOM 1393 CD LYS A 157 38.698 -6.417 43.503 1.00 18.41 C ATOM 1394 CE LYS A 157 39.322 -5.120 43.986 1.00 22.09 C ATOM 1395 NZ LYS A 157 38.915 -4.830 45.386 1.00 23.98 N ATOM 1396 HZ1 LYS A 157 37.880 -4.744 45.434 1.00 0.00 H ATOM 1397 HZ2 LYS A 157 39.228 -5.605 46.004 1.00 0.00 H ATOM 1398 HZ3 LYS A 157 39.353 -3.939 45.696 1.00 0.00 H ATOM 1399 H LYS A 157 41.064 -7.851 40.157 1.00 0.00 H ATOM 1400 N ALA A 158 37.539 -7.162 38.529 1.00 13.38 N ATOM 1401 CA ALA A 158 37.109 -6.072 37.654 1.00 14.48 C ATOM 1402 C ALA A 158 35.605 -5.938 37.757 1.00 17.94 C ATOM 1403 O ALA A 158 34.885 -6.950 37.743 1.00 15.94 O ATOM 1404 CB ALA A 158 37.523 -6.330 36.202 1.00 14.85 C ATOM 1405 H ALA A 158 36.889 -7.961 38.675 1.00 0.00 H ATOM 1406 N LYS A 159 35.131 -4.693 37.937 1.00 14.83 N ATOM 1407 CA LYS A 159 33.702 -4.392 38.003 1.00 15.48 C ATOM 1408 C LYS A 159 33.252 -4.221 36.566 1.00 19.20 C ATOM 1409 O LYS A 159 33.858 -3.452 35.814 1.00 17.73 O ATOM 1410 CB LYS A 159 33.427 -3.118 38.809 1.00 17.20 C ATOM 1411 CG LYS A 159 31.943 -2.892 39.028 1.00 18.80 C ATOM 1412 CD LYS A 159 31.721 -1.736 40.005 1.00 22.24 C ATOM 1413 CE LYS A 159 30.250 -1.478 40.231 1.00 29.01 C ATOM 1414 NZ LYS A 159 30.061 -0.439 41.281 1.00 41.53 N ATOM 1415 HZ1 LYS A 159 30.489 -0.765 42.171 1.00 0.00 H ATOM 1416 HZ2 LYS A 159 30.518 0.445 40.979 1.00 0.00 H ATOM 1417 HZ3 LYS A 159 29.044 -0.274 41.424 1.00 0.00 H ATOM 1418 H LYS A 159 35.810 -3.911 38.033 1.00 0.00 H ATOM 1419 N ILE A 160 32.203 -4.966 36.178 1.00 17.36 N ATOM 1420 CA ILE A 160 31.691 -5.010 34.806 1.00 17.42 C ATOM 1421 C ILE A 160 30.166 -4.848 34.777 1.00 21.23 C ATOM 1422 O ILE A 160 29.493 -5.545 35.538 1.00 21.43 O ATOM 1423 CB ILE A 160 32.096 -6.370 34.146 1.00 20.63 C ATOM 1424 CG1 ILE A 160 33.512 -6.860 34.554 1.00 21.11 C ATOM 1425 CG2 ILE A 160 31.944 -6.340 32.649 1.00 21.91 C ATOM 1426 CD1 ILE A 160 34.662 -6.220 33.905 1.00 23.40 C ATOM 1427 H ILE A 160 31.725 -5.547 36.896 1.00 0.00 H ATOM 1428 N PRO A 161 29.586 -4.026 33.860 1.00 16.91 N ATOM 1429 CA PRO A 161 28.114 -3.927 33.813 1.00 16.45 C ATOM 1430 C PRO A 161 27.494 -5.092 33.041 1.00 17.93 C ATOM 1431 O PRO A 161 28.034 -5.520 32.032 1.00 15.42 O ATOM 1432 CB PRO A 161 27.864 -2.589 33.077 1.00 18.02 C ATOM 1433 CG PRO A 161 29.051 -2.420 32.176 1.00 22.15 C ATOM 1434 CD PRO A 161 30.223 -3.122 32.867 1.00 18.24 C ATOM 1435 N LEU A 162 26.319 -5.529 33.453 1.00 17.00 N ATOM 1436 CA LEU A 162 25.571 -6.539 32.696 1.00 17.29 C ATOM 1437 C LEU A 162 25.017 -5.868 31.441 1.00 22.44 C ATOM 1438 O LEU A 162 24.774 -4.655 31.428 1.00 20.93 O ATOM 1439 CB LEU A 162 24.414 -7.149 33.519 1.00 17.34 C ATOM 1440 CG LEU A 162 24.805 -7.885 34.813 1.00 22.20 C ATOM 1441 CD1 LEU A 162 23.557 -8.480 35.504 1.00 22.19 C ATOM 1442 CD2 LEU A 162 25.813 -9.022 34.522 1.00 21.56 C ATOM 1443 H LEU A 162 25.915 -5.149 34.333 1.00 0.00 H ATOM 1444 N VAL A 163 24.882 -6.653 30.378 1.00 19.94 N ATOM 1445 CA VAL A 163 24.395 -6.220 29.066 1.00 20.74 C ATOM 1446 C VAL A 163 23.122 -7.034 28.787 1.00 22.80 C ATOM 1447 O VAL A 163 23.085 -8.224 29.110 1.00 21.54 O ATOM 1448 CB VAL A 163 25.535 -6.483 28.031 1.00 25.04 C ATOM 1449 CG1 VAL A 163 25.058 -6.380 26.589 1.00 24.93 C ATOM 1450 CG2 VAL A 163 26.712 -5.543 28.278 1.00 25.37 C ATOM 1451 H VAL A 163 25.143 -7.654 30.486 1.00 0.00 H ATOM 1452 N THR A 164 22.063 -6.401 28.220 1.00 18.29 N ATOM 1453 CA THR A 164 20.835 -7.141 27.912 1.00 17.81 C ATOM 1454 C THR A 164 21.133 -8.216 26.851 1.00 18.51 C ATOM 1455 O THR A 164 22.062 -8.061 26.064 1.00 16.83 O ATOM 1456 CB THR A 164 19.715 -6.209 27.396 1.00 23.12 C ATOM 1457 OG1 THR A 164 20.109 -5.742 26.104 1.00 21.63 O ATOM 1458 CG2 THR A 164 19.429 -5.010 28.349 1.00 20.64 C ATOM 1459 HG1 THR A 164 19.410 -5.140 25.745 1.00 0.00 H ATOM 1460 H THR A 164 22.123 -5.386 28.003 1.00 0.00 H ATOM 1461 N ASN A 165 20.305 -9.251 26.795 1.00 17.38 N ATOM 1462 CA ASN A 165 20.405 -10.308 25.780 1.00 18.50 C ATOM 1463 C ASN A 165 20.332 -9.695 24.357 1.00 21.12 C ATOM 1464 O ASN A 165 21.079 -10.109 23.473 1.00 16.85 O ATOM 1465 CB ASN A 165 19.254 -11.293 25.977 1.00 19.84 C ATOM 1466 CG ASN A 165 19.145 -12.323 24.892 1.00 38.16 C ATOM 1467 OD1 ASN A 165 18.365 -12.175 23.949 1.00 29.99 O ATOM 1468 ND2 ASN A 165 19.945 -13.367 24.986 1.00 30.20 N ATOM 1469 HD22 ASN A 165 20.590 -13.457 25.797 1.00 0.00 H ATOM 1470 HD21 ASN A 165 19.931 -14.101 24.249 1.00 0.00 H ATOM 1471 H ASN A 165 19.548 -9.317 27.505 1.00 0.00 H ATOM 1472 N GLU A 166 19.412 -8.719 24.150 1.00 19.49 N ATOM 1473 CA GLU A 166 19.238 -8.034 22.855 1.00 19.59 C ATOM 1474 C GLU A 166 20.519 -7.345 22.410 1.00 20.63 C ATOM 1475 O GLU A 166 20.927 -7.518 21.260 1.00 20.59 O ATOM 1476 CB GLU A 166 18.073 -7.023 22.920 1.00 21.32 C ATOM 1477 CG GLU A 166 17.821 -6.253 21.628 1.00 39.18 C ATOM 1478 CD GLU A 166 16.446 -5.615 21.510 1.00 71.93 C ATOM 1479 OE1 GLU A 166 15.982 -4.999 22.497 1.00 67.94 O ATOM 1480 OE2 GLU A 166 15.833 -5.725 20.423 1.00 72.12 O ATOM 1481 H GLU A 166 18.800 -8.440 24.943 1.00 0.00 H ATOM 1482 N GLU A 167 21.165 -6.578 23.310 1.00 17.20 N ATOM 1483 CA GLU A 167 22.415 -5.911 22.962 1.00 17.38 C ATOM 1484 C GLU A 167 23.552 -6.914 22.741 1.00 19.99 C ATOM 1485 O GLU A 167 24.352 -6.733 21.824 1.00 18.55 O ATOM 1486 CB GLU A 167 22.831 -4.874 24.020 1.00 19.50 C ATOM 1487 CG GLU A 167 23.846 -3.899 23.433 1.00 33.90 C ATOM 1488 CD GLU A 167 24.443 -2.837 24.331 1.00 55.84 C ATOM 1489 OE1 GLU A 167 24.027 -2.725 25.507 1.00 51.40 O ATOM 1490 OE2 GLU A 167 25.337 -2.107 23.845 1.00 51.32 O ATOM 1491 H GLU A 167 20.768 -6.460 24.264 1.00 0.00 H ATOM 1492 N CYS A 168 23.610 -7.987 23.565 1.00 16.21 N ATOM 1493 CA CYS A 168 24.661 -8.991 23.393 1.00 15.09 C ATOM 1494 C CYS A 168 24.554 -9.696 22.061 1.00 17.18 C ATOM 1495 O CYS A 168 25.573 -9.984 21.434 1.00 15.22 O ATOM 1496 CB CYS A 168 24.657 -9.991 24.539 1.00 14.70 C ATOM 1497 SG CYS A 168 26.126 -11.045 24.571 1.00 18.02 S ATOM 1498 H CYS A 168 22.906 -8.098 24.322 1.00 0.00 H ATOM 1499 N GLN A 168A 23.314 -9.996 21.636 1.00 16.27 N ATOM 1500 CA GLN A 168A 23.068 -10.647 20.343 1.00 15.85 C ATOM 1501 C GLN A 168A 23.545 -9.754 19.184 1.00 20.33 C ATOM 1502 O GLN A 168A 24.132 -10.266 18.224 1.00 19.55 O ATOM 1503 CB GLN A 168A 21.581 -11.035 20.190 1.00 16.69 C ATOM 1504 CG GLN A 168A 21.271 -11.696 18.832 1.00 20.65 C ATOM 1505 CD GLN A 168A 21.973 -13.032 18.681 1.00 26.63 C ATOM 1506 OE1 GLN A 168A 21.515 -14.048 19.192 1.00 21.97 O ATOM 1507 NE2 GLN A 168A 23.095 -13.068 17.970 1.00 21.84 N ATOM 1508 HE22 GLN A 168A 23.469 -12.196 17.544 1.00 0.00 H ATOM 1509 HE21 GLN A 168A 23.599 -13.968 17.840 1.00 0.00 H ATOM 1510 H GLN A 168A 22.503 -9.759 22.243 1.00 0.00 H ATOM 1511 N LYS A 169 23.324 -8.421 19.285 1.00 18.50 N ATOM 1512 CA LYS A 169 23.812 -7.475 18.265 1.00 19.81 C ATOM 1513 C LYS A 169 25.330 -7.542 18.162 1.00 22.78 C ATOM 1514 O LYS A 169 25.865 -7.358 17.079 1.00 22.73 O ATOM 1515 CB LYS A 169 23.444 -6.014 18.619 1.00 23.19 C ATOM 1516 CG LYS A 169 22.019 -5.621 18.309 1.00 37.59 C ATOM 1517 CD LYS A 169 21.778 -4.144 18.648 1.00 49.19 C ATOM 1518 CE LYS A 169 20.422 -3.898 19.278 1.00 66.64 C ATOM 1519 NZ LYS A 169 19.289 -4.261 18.374 1.00 78.25 N ATOM 1520 HZ1 LYS A 169 19.344 -3.692 17.505 1.00 0.00 H ATOM 1521 HZ2 LYS A 169 19.349 -5.271 18.133 1.00 0.00 H ATOM 1522 HZ3 LYS A 169 18.388 -4.072 18.857 1.00 0.00 H ATOM 1523 H LYS A 169 22.796 -8.056 20.103 1.00 0.00 H ATOM 1524 N ARG A 170 26.027 -7.779 19.301 1.00 17.90 N ATOM 1525 CA ARG A 170 27.489 -7.824 19.351 1.00 17.08 C ATOM 1526 C ARG A 170 28.084 -9.116 18.828 1.00 19.31 C ATOM 1527 O ARG A 170 29.252 -9.143 18.458 1.00 18.23 O ATOM 1528 CB ARG A 170 27.997 -7.572 20.779 1.00 18.63 C ATOM 1529 CG ARG A 170 27.538 -6.262 21.416 1.00 24.44 C ATOM 1530 CD ARG A 170 27.851 -5.027 20.584 1.00 28.77 C ATOM 1531 NE ARG A 170 27.226 -3.844 21.168 1.00 32.58 N ATOM 1532 CZ ARG A 170 26.643 -2.876 20.469 1.00 44.77 C ATOM 1533 NH1 ARG A 170 26.082 -1.848 21.091 1.00 31.05 N ATOM 1534 NH2 ARG A 170 26.634 -2.919 19.139 1.00 26.16 N ATOM 1535 HE ARG A 170 27.238 -3.752 22.204 1.00 0.00 H ATOM 1536 HH12 ARG A 170 25.627 -1.092 20.540 1.00 0.00 H ATOM 1537 HH11 ARG A 170 26.097 -1.797 22.130 1.00 0.00 H ATOM 1538 HH22 ARG A 170 26.176 -2.158 18.597 1.00 0.00 H ATOM 1539 HH21 ARG A 170 27.085 -3.713 18.641 1.00 0.00 H ATOM 1540 H ARG A 170 25.497 -7.936 20.182 1.00 0.00 H ATOM 1541 N TYR A 171 27.278 -10.186 18.786 1.00 15.96 N ATOM 1542 CA TYR A 171 27.735 -11.489 18.359 1.00 13.89 C ATOM 1543 C TYR A 171 26.949 -11.989 17.166 1.00 18.40 C ATOM 1544 O TYR A 171 26.231 -12.989 17.248 1.00 16.63 O ATOM 1545 CB TYR A 171 27.746 -12.469 19.556 1.00 13.32 C ATOM 1546 CG TYR A 171 28.928 -12.219 20.472 1.00 13.72 C ATOM 1547 CD1 TYR A 171 30.216 -12.581 20.094 1.00 15.43 C ATOM 1548 CD2 TYR A 171 28.759 -11.610 21.714 1.00 14.35 C ATOM 1549 CE1 TYR A 171 31.306 -12.375 20.940 1.00 16.44 C ATOM 1550 CE2 TYR A 171 29.837 -11.427 22.583 1.00 14.41 C ATOM 1551 CZ TYR A 171 31.113 -11.788 22.180 1.00 19.51 C ATOM 1552 OH TYR A 171 32.201 -11.550 22.982 1.00 15.21 O ATOM 1553 HH TYR A 171 32.087 -12.027 23.842 1.00 0.00 H ATOM 1554 H TYR A 171 26.284 -10.074 19.072 1.00 0.00 H ATOM 1555 N ARG A 172 27.083 -11.269 16.045 1.00 19.16 N ATOM 1556 CA ARG A 172 26.467 -11.660 14.774 1.00 21.82 C ATOM 1557 C ARG A 172 27.052 -13.035 14.379 1.00 27.60 C ATOM 1558 O ARG A 172 28.262 -13.248 14.442 1.00 29.00 O ATOM 1559 CB ARG A 172 26.772 -10.612 13.676 1.00 24.02 C ATOM 1560 CG ARG A 172 25.937 -10.827 12.415 1.00 43.80 C ATOM 1561 CD ARG A 172 26.077 -9.710 11.395 1.00 59.85 C ATOM 1562 NE ARG A 172 25.255 -9.978 10.212 1.00 71.87 N ATOM 1563 CZ ARG A 172 25.727 -10.091 8.973 1.00 90.76 C ATOM 1564 NH1 ARG A 172 27.023 -9.929 8.730 1.00 80.87 N ATOM 1565 NH2 ARG A 172 24.905 -10.346 7.965 1.00 79.16 N ATOM 1566 HE ARG A 172 24.230 -10.088 10.351 1.00 0.00 H ATOM 1567 HH12 ARG A 172 27.385 -10.019 7.759 1.00 0.00 H ATOM 1568 HH11 ARG A 172 27.675 -9.712 9.511 1.00 0.00 H ATOM 1569 HH22 ARG A 172 25.279 -10.433 6.998 1.00 0.00 H ATOM 1570 HH21 ARG A 172 23.886 -10.459 8.141 1.00 0.00 H ATOM 1571 H ARG A 172 27.648 -10.396 16.078 1.00 0.00 H ATOM 1572 N GLY A 173 26.199 -13.965 14.020 1.00 23.61 N ATOM 1573 CA GLY A 173 26.691 -15.287 13.658 1.00 21.45 C ATOM 1574 C GLY A 173 26.612 -16.287 14.786 1.00 22.57 C ATOM 1575 O GLY A 173 26.840 -17.470 14.551 1.00 20.80 O ATOM 1576 H GLY A 173 25.180 -13.760 13.994 1.00 0.00 H ATOM 1577 N HIS A 174 26.338 -15.819 16.029 1.00 18.51 N ATOM 1578 CA HIS A 174 26.118 -16.700 17.181 1.00 17.94 C ATOM 1579 C HIS A 174 24.663 -16.578 17.585 1.00 24.02 C ATOM 1580 O HIS A 174 23.984 -15.626 17.206 1.00 24.45 O ATOM 1581 CB HIS A 174 26.963 -16.303 18.401 1.00 17.59 C ATOM 1582 CG HIS A 174 28.394 -16.701 18.319 1.00 19.14 C ATOM 1583 ND1 HIS A 174 29.341 -15.848 17.799 1.00 20.70 N ATOM 1584 CD2 HIS A 174 28.998 -17.838 18.720 1.00 19.77 C ATOM 1585 CE1 HIS A 174 30.490 -16.496 17.877 1.00 19.25 C ATOM 1586 NE2 HIS A 174 30.332 -17.696 18.429 1.00 19.38 N ATOM 1587 H HIS A 174 26.281 -14.790 16.172 1.00 0.00 H ATOM 1588 N LYS A 175 24.189 -17.538 18.359 1.00 21.55 N ATOM 1589 CA LYS A 175 22.858 -17.490 18.924 1.00 21.38 C ATOM 1590 C LYS A 175 23.053 -17.247 20.425 1.00 24.50 C ATOM 1591 O LYS A 175 23.484 -18.157 21.158 1.00 24.27 O ATOM 1592 CB LYS A 175 22.068 -18.790 18.622 1.00 24.00 C ATOM 1593 CG LYS A 175 20.717 -18.903 19.343 1.00 42.18 C ATOM 1594 CD LYS A 175 19.746 -17.756 19.035 1.00 50.40 C ATOM 1595 CE LYS A 175 18.610 -17.710 20.021 1.00 56.64 C ATOM 1596 NZ LYS A 175 17.900 -16.407 19.961 1.00 66.23 N ATOM 1597 HZ1 LYS A 175 18.566 -15.640 20.185 1.00 0.00 H ATOM 1598 HZ2 LYS A 175 17.516 -16.266 19.005 1.00 0.00 H ATOM 1599 HZ3 LYS A 175 17.122 -16.405 20.652 1.00 0.00 H ATOM 1600 H LYS A 175 24.794 -18.357 18.570 1.00 0.00 H ATOM 1601 N ILE A 176 22.803 -15.998 20.872 1.00 18.46 N ATOM 1602 CA ILE A 176 22.906 -15.663 22.296 1.00 16.08 C ATOM 1603 C ILE A 176 21.544 -15.989 22.942 1.00 21.27 C ATOM 1604 O ILE A 176 20.550 -15.316 22.682 1.00 21.07 O ATOM 1605 CB ILE A 176 23.400 -14.211 22.576 1.00 17.40 C ATOM 1606 CG1 ILE A 176 24.724 -13.881 21.826 1.00 16.46 C ATOM 1607 CG2 ILE A 176 23.531 -13.968 24.091 1.00 16.28 C ATOM 1608 CD1 ILE A 176 26.012 -14.823 22.153 1.00 14.25 C ATOM 1609 H ILE A 176 22.532 -15.258 20.193 1.00 0.00 H ATOM 1610 N THR A 177 21.503 -17.046 23.749 1.00 18.52 N ATOM 1611 CA THR A 177 20.263 -17.504 24.373 1.00 18.51 C ATOM 1612 C THR A 177 20.066 -16.864 25.743 1.00 21.71 C ATOM 1613 O THR A 177 20.998 -16.293 26.302 1.00 17.67 O ATOM 1614 CB THR A 177 20.287 -19.041 24.513 1.00 25.22 C ATOM 1615 OG1 THR A 177 21.237 -19.388 25.528 1.00 24.90 O ATOM 1616 CG2 THR A 177 20.639 -19.761 23.189 1.00 22.84 C ATOM 1617 HG1 THR A 177 21.264 -20.372 25.630 1.00 0.00 H ATOM 1618 H THR A 177 22.384 -17.564 23.943 1.00 0.00 H ATOM 1619 N HIS A 178 18.867 -17.034 26.324 1.00 20.13 N ATOM 1620 CA HIS A 178 18.591 -16.540 27.661 1.00 21.15 C ATOM 1621 C HIS A 178 19.287 -17.405 28.732 1.00 20.85 C ATOM 1622 O HIS A 178 19.294 -17.033 29.900 1.00 20.51 O ATOM 1623 CB HIS A 178 17.088 -16.367 27.886 1.00 24.02 C ATOM 1624 CG HIS A 178 16.544 -15.212 27.094 1.00 29.47 C ATOM 1625 ND1 HIS A 178 16.610 -13.915 27.569 1.00 32.23 N ATOM 1626 CD2 HIS A 178 15.991 -15.194 25.861 1.00 32.36 C ATOM 1627 CE1 HIS A 178 16.057 -13.159 26.636 1.00 31.91 C ATOM 1628 NE2 HIS A 178 15.683 -13.881 25.585 1.00 32.34 N ATOM 1629 H HIS A 178 18.117 -17.532 25.803 1.00 0.00 H ATOM 1630 N LYS A 179 19.926 -18.531 28.319 1.00 15.95 N ATOM 1631 CA LYS A 179 20.724 -19.343 29.251 1.00 15.49 C ATOM 1632 C LYS A 179 22.170 -18.805 29.334 1.00 16.27 C ATOM 1633 O LYS A 179 23.009 -19.343 30.053 1.00 15.60 O ATOM 1634 CB LYS A 179 20.653 -20.832 28.919 1.00 18.49 C ATOM 1635 CG LYS A 179 19.290 -21.433 29.268 1.00 22.10 C ATOM 1636 CD LYS A 179 19.300 -22.947 29.177 1.00 29.24 C ATOM 1637 CE LYS A 179 18.300 -23.524 30.140 1.00 43.86 C ATOM 1638 NZ LYS A 179 16.910 -23.422 29.623 1.00 54.13 N ATOM 1639 HZ1 LYS A 179 16.672 -22.422 29.466 1.00 0.00 H ATOM 1640 HZ2 LYS A 179 16.836 -23.942 28.725 1.00 0.00 H ATOM 1641 HZ3 LYS A 179 16.252 -23.831 30.317 1.00 0.00 H ATOM 1642 H LYS A 179 19.849 -18.825 27.324 1.00 0.00 H ATOM 1643 N MET A 180 22.427 -17.712 28.616 1.00 13.01 N ATOM 1644 CA MET A 180 23.691 -16.960 28.636 1.00 13.10 C ATOM 1645 C MET A 180 23.389 -15.562 29.170 1.00 17.07 C ATOM 1646 O MET A 180 22.285 -15.056 28.982 1.00 15.98 O ATOM 1647 CB MET A 180 24.274 -16.816 27.222 1.00 14.46 C ATOM 1648 CG MET A 180 24.740 -18.146 26.632 1.00 16.30 C ATOM 1649 SD MET A 180 25.056 -17.932 24.881 1.00 17.39 S ATOM 1650 CE MET A 180 25.499 -19.581 24.458 1.00 14.16 C ATOM 1651 H MET A 180 21.673 -17.362 27.991 1.00 0.00 H ATOM 1652 N ILE A 181 24.369 -14.949 29.828 1.00 14.34 N ATOM 1653 CA ILE A 181 24.276 -13.587 30.334 1.00 14.67 C ATOM 1654 C ILE A 181 25.579 -12.904 29.967 1.00 17.00 C ATOM 1655 O ILE A 181 26.644 -13.507 30.110 1.00 14.34 O ATOM 1656 CB ILE A 181 23.904 -13.494 31.833 1.00 17.99 C ATOM 1657 CG1 ILE A 181 23.534 -12.032 32.230 1.00 19.20 C ATOM 1658 CG2 ILE A 181 24.984 -14.119 32.774 1.00 18.21 C ATOM 1659 CD1 ILE A 181 22.804 -11.915 33.661 1.00 23.90 C ATOM 1660 H ILE A 181 25.253 -15.473 29.990 1.00 0.00 H ATOM 1661 N CYS A 182 25.489 -11.682 29.407 1.00 12.71 N ATOM 1662 CA CYS A 182 26.670 -10.975 28.961 1.00 12.92 C ATOM 1663 C CYS A 182 27.016 -9.822 29.837 1.00 16.28 C ATOM 1664 O CYS A 182 26.133 -9.237 30.473 1.00 17.35 O ATOM 1665 CB CYS A 182 26.524 -10.554 27.503 1.00 14.00 C ATOM 1666 SG CYS A 182 25.976 -11.890 26.419 1.00 17.62 S ATOM 1667 H CYS A 182 24.555 -11.239 29.293 1.00 0.00 H ATOM 1668 N ALA A 183 28.296 -9.464 29.846 1.00 12.31 N ATOM 1669 CA ALA A 183 28.773 -8.345 30.662 1.00 13.73 C ATOM 1670 C ALA A 183 30.006 -7.711 30.024 1.00 18.03 C ATOM 1671 O ALA A 183 30.898 -8.408 29.543 1.00 18.49 O ATOM 1672 CB ALA A 183 29.081 -8.809 32.090 1.00 13.91 C ATOM 1673 H ALA A 183 28.975 -9.991 29.260 1.00 0.00 H ATOM 1674 N GLY A 184 30.026 -6.391 29.990 1.00 15.28 N ATOM 1675 CA GLY A 184 31.154 -5.661 29.414 1.00 15.22 C ATOM 1676 C GLY A 184 30.806 -4.228 29.105 1.00 18.60 C ATOM 1677 O GLY A 184 29.629 -3.882 29.017 1.00 17.55 O ATOM 1678 H GLY A 184 29.222 -5.860 30.381 1.00 0.00 H ATOM 1679 N TYR A 184A 31.835 -3.387 28.973 1.00 16.66 N ATOM 1680 CA TYR A 184A 31.686 -1.989 28.600 1.00 17.70 C ATOM 1681 C TYR A 184A 31.650 -1.921 27.088 1.00 20.97 C ATOM 1682 O TYR A 184A 32.434 -2.610 26.432 1.00 17.65 O ATOM 1683 CB TYR A 184A 32.876 -1.166 29.102 1.00 19.18 C ATOM 1684 CG TYR A 184A 32.952 -1.121 30.609 1.00 22.68 C ATOM 1685 CD1 TYR A 184A 33.624 -2.113 31.323 1.00 23.89 C ATOM 1686 CD2 TYR A 184A 32.352 -0.086 31.328 1.00 23.40 C ATOM 1687 CE1 TYR A 184A 33.689 -2.081 32.713 1.00 24.36 C ATOM 1688 CE2 TYR A 184A 32.418 -0.043 32.720 1.00 24.10 C ATOM 1689 CZ TYR A 184A 33.102 -1.034 33.406 1.00 28.84 C ATOM 1690 OH TYR A 184A 33.152 -1.014 34.779 1.00 28.90 O ATOM 1691 HH TYR A 184A 33.677 -1.789 35.100 1.00 0.00 H ATOM 1692 H TYR A 184A 32.794 -3.751 29.146 1.00 0.00 H ATOM 1693 N ARG A 184B 30.811 -1.028 26.534 1.00 20.02 N ATOM 1694 CA ARG A 184B 30.739 -0.832 25.087 1.00 20.18 C ATOM 1695 C ARG A 184B 32.130 -0.543 24.491 1.00 22.05 C ATOM 1696 O ARG A 184B 32.460 -1.081 23.435 1.00 19.70 O ATOM 1697 CB ARG A 184B 29.756 0.298 24.724 1.00 23.05 C ATOM 1698 CG ARG A 184B 29.283 0.195 23.272 1.00 33.43 C ATOM 1699 CD ARG A 184B 28.494 1.404 22.788 1.00 42.07 C ATOM 1700 NE ARG A 184B 27.797 1.115 21.530 1.00 49.46 N ATOM 1701 CZ ARG A 184B 28.346 1.203 20.320 1.00 62.73 C ATOM 1702 NH1 ARG A 184B 29.609 1.593 20.180 1.00 52.88 N ATOM 1703 NH2 ARG A 184B 27.637 0.898 19.241 1.00 43.27 N ATOM 1704 HE ARG A 184B 26.801 0.820 21.587 1.00 0.00 H ATOM 1705 HH12 ARG A 184B 30.031 1.659 19.232 1.00 0.00 H ATOM 1706 HH11 ARG A 184B 30.175 1.832 21.019 1.00 0.00 H ATOM 1707 HH22 ARG A 184B 28.069 0.968 18.298 1.00 0.00 H ATOM 1708 HH21 ARG A 184B 26.649 0.589 19.338 1.00 0.00 H ATOM 1709 H ARG A 184B 30.196 -0.461 27.152 1.00 0.00 H ATOM 1710 N GLU A 185 32.964 0.237 25.201 1.00 17.40 N ATOM 1711 CA GLU A 185 34.299 0.611 24.716 1.00 17.99 C ATOM 1712 C GLU A 185 35.353 -0.440 25.043 1.00 20.46 C ATOM 1713 O GLU A 185 36.520 -0.240 24.713 1.00 19.85 O ATOM 1714 CB GLU A 185 34.721 1.970 25.352 1.00 20.34 C ATOM 1715 H GLU A 185 32.652 0.589 26.129 1.00 0.00 H ATOM 1716 N GLY A 186 34.952 -1.524 25.721 1.00 17.90 N ATOM 1717 CA GLY A 186 35.872 -2.577 26.152 1.00 16.85 C ATOM 1718 C GLY A 186 36.785 -2.118 27.268 1.00 20.20 C ATOM 1719 O GLY A 186 36.486 -1.143 27.963 1.00 19.27 O ATOM 1720 H GLY A 186 33.942 -1.621 25.951 1.00 0.00 H ATOM 1721 N GLY A 187 37.878 -2.839 27.464 1.00 17.55 N ATOM 1722 CA GLY A 187 38.880 -2.489 28.465 1.00 17.65 C ATOM 1723 C GLY A 187 38.890 -3.289 29.750 1.00 19.86 C ATOM 1724 O GLY A 187 39.921 -3.340 30.412 1.00 18.96 O ATOM 1725 H GLY A 187 38.028 -3.688 26.882 1.00 0.00 H ATOM 1726 N LYS A 188 37.743 -3.875 30.147 1.00 16.48 N ATOM 1727 CA LYS A 188 37.648 -4.681 31.368 1.00 15.56 C ATOM 1728 C LYS A 188 36.875 -5.950 31.055 1.00 17.39 C ATOM 1729 O LYS A 188 35.774 -5.881 30.517 1.00 17.31 O ATOM 1730 CB LYS A 188 36.997 -3.912 32.526 1.00 16.99 C ATOM 1731 CG LYS A 188 37.823 -2.740 33.032 1.00 20.41 C ATOM 1732 CD LYS A 188 37.140 -2.091 34.208 1.00 23.15 C ATOM 1733 CE LYS A 188 37.943 -0.911 34.705 1.00 32.37 C ATOM 1734 NZ LYS A 188 37.902 -0.842 36.186 1.00 48.13 N ATOM 1735 HZ1 LYS A 188 36.916 -0.737 36.500 1.00 0.00 H ATOM 1736 HZ2 LYS A 188 38.302 -1.716 36.584 1.00 0.00 H ATOM 1737 HZ3 LYS A 188 38.459 -0.025 36.509 1.00 0.00 H ATOM 1738 H LYS A 188 36.891 -3.750 29.564 1.00 0.00 H ATOM 1739 N ASP A 189 37.463 -7.105 31.353 1.00 13.21 N ATOM 1740 CA ASP A 189 36.825 -8.397 30.999 1.00 13.24 C ATOM 1741 C ASP A 189 37.608 -9.523 31.625 1.00 15.88 C ATOM 1742 O ASP A 189 38.720 -9.326 32.111 1.00 15.45 O ATOM 1743 CB ASP A 189 36.948 -8.582 29.444 1.00 14.37 C ATOM 1744 CG ASP A 189 36.032 -9.587 28.739 1.00 22.85 C ATOM 1745 OD1 ASP A 189 35.104 -10.110 29.398 1.00 21.98 O ATOM 1746 OD2 ASP A 189 36.231 -9.826 27.500 1.00 19.44 O ATOM 1747 H ASP A 189 38.382 -7.103 31.840 1.00 0.00 H ATOM 1748 N ALA A 190 37.075 -10.734 31.491 1.00 12.48 N ATOM 1749 CA ALA A 190 37.791 -11.952 31.806 1.00 12.47 C ATOM 1750 C ALA A 190 38.751 -12.180 30.641 1.00 14.78 C ATOM 1751 O ALA A 190 38.606 -11.570 29.570 1.00 13.37 O ATOM 1752 CB ALA A 190 36.806 -13.118 31.864 1.00 12.47 C ATOM 1753 H ALA A 190 36.098 -10.810 31.144 1.00 0.00 H ATOM 1754 N CYS A 191 39.732 -13.059 30.834 1.00 13.58 N ATOM 1755 CA CYS A 191 40.609 -13.480 29.745 1.00 13.53 C ATOM 1756 C CYS A 191 41.078 -14.931 30.006 1.00 16.57 C ATOM 1757 O CYS A 191 40.599 -15.566 30.955 1.00 15.26 O ATOM 1758 CB CYS A 191 41.763 -12.497 29.493 1.00 14.02 C ATOM 1759 SG CYS A 191 42.537 -12.668 27.855 1.00 17.83 S ATOM 1760 H CYS A 191 39.877 -13.456 31.784 1.00 0.00 H ATOM 1761 N LYS A 192 41.941 -15.479 29.154 1.00 12.54 N ATOM 1762 CA LYS A 192 42.431 -16.873 29.261 1.00 11.35 C ATOM 1763 C LYS A 192 42.876 -17.256 30.675 1.00 15.37 C ATOM 1764 O LYS A 192 43.741 -16.589 31.244 1.00 15.35 O ATOM 1765 CB LYS A 192 43.586 -17.075 28.281 1.00 11.90 C ATOM 1766 CG LYS A 192 43.110 -16.969 26.826 1.00 14.96 C ATOM 1767 CD LYS A 192 44.250 -17.426 25.906 1.00 26.53 C ATOM 1768 CE LYS A 192 43.904 -17.265 24.440 1.00 33.04 C ATOM 1769 NZ LYS A 192 44.891 -17.977 23.582 1.00 36.86 N ATOM 1770 HZ1 LYS A 192 45.840 -17.585 23.748 1.00 0.00 H ATOM 1771 HZ2 LYS A 192 44.887 -18.990 23.819 1.00 0.00 H ATOM 1772 HZ3 LYS A 192 44.633 -17.852 22.582 1.00 0.00 H ATOM 1773 H LYS A 192 42.292 -14.895 28.368 1.00 0.00 H ATOM 1774 N GLY A 193 42.281 -18.308 31.237 1.00 12.67 N ATOM 1775 CA GLY A 193 42.607 -18.738 32.606 1.00 12.00 C ATOM 1776 C GLY A 193 41.570 -18.325 33.634 1.00 14.67 C ATOM 1777 O GLY A 193 41.554 -18.852 34.757 1.00 14.48 O ATOM 1778 H GLY A 193 41.569 -18.838 30.695 1.00 0.00 H ATOM 1779 N ASP A 194 40.643 -17.421 33.245 1.00 10.70 N ATOM 1780 CA ASP A 194 39.568 -16.999 34.156 1.00 10.36 C ATOM 1781 C ASP A 194 38.335 -17.878 34.050 1.00 12.42 C ATOM 1782 O ASP A 194 37.498 -17.849 34.957 1.00 10.05 O ATOM 1783 CB ASP A 194 39.143 -15.544 33.896 1.00 10.35 C ATOM 1784 CG ASP A 194 40.221 -14.556 34.293 1.00 14.39 C ATOM 1785 OD1 ASP A 194 40.832 -14.742 35.376 1.00 11.96 O ATOM 1786 OD2 ASP A 194 40.460 -13.614 33.523 1.00 12.80 O ATOM 1787 H ASP A 194 40.691 -17.018 32.287 1.00 0.00 H ATOM 1788 N SER A 195 38.166 -18.577 32.912 1.00 10.36 N ATOM 1789 CA SER A 195 36.935 -19.358 32.678 1.00 9.60 C ATOM 1790 C SER A 195 36.642 -20.355 33.787 1.00 12.68 C ATOM 1791 O SER A 195 37.560 -20.852 34.457 1.00 12.29 O ATOM 1792 CB SER A 195 36.931 -20.012 31.301 1.00 10.95 C ATOM 1793 OG SER A 195 37.876 -21.070 31.221 1.00 16.29 O ATOM 1794 HG SER A 195 38.783 -20.714 31.396 1.00 0.00 H ATOM 1795 H SER A 195 38.913 -18.567 32.188 1.00 0.00 H ATOM 1796 N GLY A 196 35.353 -20.549 34.046 1.00 9.70 N ATOM 1797 CA GLY A 196 34.913 -21.431 35.125 1.00 8.69 C ATOM 1798 C GLY A 196 34.705 -20.657 36.411 1.00 12.30 C ATOM 1799 O GLY A 196 33.938 -21.074 37.282 1.00 12.17 O ATOM 1800 H GLY A 196 34.640 -20.061 33.467 1.00 0.00 H ATOM 1801 N GLY A 197 35.355 -19.493 36.506 1.00 8.55 N ATOM 1802 CA GLY A 197 35.247 -18.646 37.686 1.00 7.43 C ATOM 1803 C GLY A 197 33.916 -17.913 37.761 1.00 12.18 C ATOM 1804 O GLY A 197 33.112 -17.939 36.828 1.00 10.69 O ATOM 1805 H GLY A 197 35.955 -19.183 35.715 1.00 0.00 H ATOM 1806 N PRO A 198 33.684 -17.212 38.876 1.00 10.93 N ATOM 1807 CA PRO A 198 32.392 -16.516 39.060 1.00 9.57 C ATOM 1808 C PRO A 198 32.254 -15.138 38.420 1.00 13.35 C ATOM 1809 O PRO A 198 33.232 -14.416 38.263 1.00 12.15 O ATOM 1810 CB PRO A 198 32.340 -16.323 40.591 1.00 9.82 C ATOM 1811 CG PRO A 198 33.767 -16.191 40.993 1.00 13.68 C ATOM 1812 CD PRO A 198 34.558 -17.081 40.068 1.00 10.22 C ATOM 1813 N LEU A 199 30.999 -14.739 38.175 1.00 12.61 N ATOM 1814 CA LEU A 199 30.571 -13.365 37.902 1.00 11.68 C ATOM 1815 C LEU A 199 29.671 -13.152 39.123 1.00 14.77 C ATOM 1816 O LEU A 199 28.576 -13.730 39.200 1.00 13.87 O ATOM 1817 CB LEU A 199 29.781 -13.182 36.578 1.00 11.44 C ATOM 1818 CG LEU A 199 29.200 -11.765 36.331 1.00 14.84 C ATOM 1819 CD1 LEU A 199 30.345 -10.670 36.235 1.00 14.07 C ATOM 1820 CD2 LEU A 199 28.338 -11.750 35.064 1.00 14.41 C ATOM 1821 H LEU A 199 30.261 -15.472 38.179 1.00 0.00 H ATOM 1822 N SER A 200 30.198 -12.448 40.131 1.00 11.91 N ATOM 1823 CA SER A 200 29.532 -12.256 41.432 1.00 12.60 C ATOM 1824 C SER A 200 28.865 -10.884 41.490 1.00 16.62 C ATOM 1825 O SER A 200 29.543 -9.885 41.243 1.00 16.15 O ATOM 1826 CB SER A 200 30.547 -12.378 42.573 1.00 13.66 C ATOM 1827 OG SER A 200 31.354 -13.539 42.460 1.00 14.22 O ATOM 1828 HG SER A 200 31.855 -13.509 41.607 1.00 0.00 H ATOM 1829 H SER A 200 31.131 -12.011 39.989 1.00 0.00 H ATOM 1830 N CYS A 201 27.559 -10.841 41.810 1.00 13.93 N ATOM 1831 CA CYS A 201 26.787 -9.581 41.888 1.00 14.73 C ATOM 1832 C CYS A 201 26.214 -9.406 43.291 1.00 19.97 C ATOM 1833 O CYS A 201 25.617 -10.332 43.840 1.00 17.67 O ATOM 1834 CB CYS A 201 25.679 -9.516 40.833 1.00 15.00 C ATOM 1835 SG CYS A 201 26.241 -9.736 39.127 1.00 18.75 S ATOM 1836 H CYS A 201 27.069 -11.736 42.012 1.00 0.00 H ATOM 1837 N LYS A 202 26.412 -8.218 43.868 1.00 20.15 N ATOM 1838 CA LYS A 202 25.948 -7.898 45.221 1.00 21.76 C ATOM 1839 C LYS A 202 24.567 -7.269 45.130 1.00 29.71 C ATOM 1840 O LYS A 202 24.384 -6.290 44.412 1.00 29.20 O ATOM 1841 CB LYS A 202 26.940 -6.946 45.915 1.00 23.32 C ATOM 1842 CG LYS A 202 26.678 -6.733 47.408 1.00 32.89 C ATOM 1843 CD LYS A 202 27.680 -5.741 47.986 1.00 38.27 C ATOM 1844 CE LYS A 202 27.461 -5.464 49.455 1.00 59.99 C ATOM 1845 NZ LYS A 202 27.889 -6.597 50.319 1.00 71.92 N ATOM 1846 HZ1 LYS A 202 27.345 -7.447 50.068 1.00 0.00 H ATOM 1847 HZ2 LYS A 202 28.903 -6.778 50.175 1.00 0.00 H ATOM 1848 HZ3 LYS A 202 27.717 -6.355 51.316 1.00 0.00 H ATOM 1849 H LYS A 202 26.919 -7.485 43.332 1.00 0.00 H ATOM 1850 N HIS A 203 23.597 -7.851 45.830 1.00 30.78 N ATOM 1851 CA HIS A 203 22.226 -7.360 45.839 1.00 33.95 C ATOM 1852 C HIS A 203 21.644 -7.494 47.239 1.00 37.28 C ATOM 1853 O HIS A 203 21.680 -8.585 47.809 1.00 35.07 O ATOM 1854 CB HIS A 203 21.383 -8.099 44.793 1.00 36.80 C ATOM 1855 CG HIS A 203 19.948 -7.679 44.775 1.00 42.00 C ATOM 1856 ND1 HIS A 203 18.948 -8.519 45.233 1.00 44.57 N ATOM 1857 CD2 HIS A 203 19.396 -6.507 44.380 1.00 44.99 C ATOM 1858 CE1 HIS A 203 17.820 -7.843 45.086 1.00 44.74 C ATOM 1859 NE2 HIS A 203 18.042 -6.620 44.590 1.00 45.20 N ATOM 1860 H HIS A 203 23.828 -8.693 46.395 1.00 0.00 H ATOM 1861 N ASN A 204 21.124 -6.369 47.800 1.00 36.20 N ATOM 1862 CA ASN A 204 20.557 -6.290 49.162 1.00 36.36 C ATOM 1863 C ASN A 204 21.580 -6.807 50.176 1.00 39.58 C ATOM 1864 O ASN A 204 21.243 -7.620 51.038 1.00 40.45 O ATOM 1865 CB ASN A 204 19.215 -7.057 49.280 1.00 39.51 C ATOM 1866 CG ASN A 204 18.047 -6.502 48.485 1.00 60.67 C ATOM 1867 OD1 ASN A 204 17.992 -5.325 48.110 1.00 51.85 O ATOM 1868 ND2 ASN A 204 17.055 -7.344 48.247 1.00 53.72 N ATOM 1869 HD22 ASN A 204 17.121 -8.330 48.571 1.00 0.00 H ATOM 1870 HD21 ASN A 204 16.209 -7.020 47.736 1.00 0.00 H ATOM 1871 H ASN A 204 21.126 -5.500 47.228 1.00 0.00 H ATOM 1872 N GLU A 205 22.850 -6.369 50.017 1.00 35.31 N ATOM 1873 CA GLU A 205 24.020 -6.709 50.840 1.00 34.70 C ATOM 1874 C GLU A 205 24.438 -8.208 50.783 1.00 35.57 C ATOM 1875 O GLU A 205 25.282 -8.631 51.578 1.00 36.75 O ATOM 1876 CB GLU A 205 23.842 -6.227 52.303 1.00 36.58 C ATOM 1877 CG GLU A 205 23.794 -4.708 52.456 1.00 50.16 C ATOM 1878 CD GLU A 205 24.940 -3.929 51.831 1.00 79.96 C ATOM 1879 OE1 GLU A 205 26.099 -4.097 52.280 1.00 72.70 O ATOM 1880 OE2 GLU A 205 24.676 -3.157 50.879 1.00 78.85 O ATOM 1881 H GLU A 205 23.018 -5.718 49.223 1.00 0.00 H ATOM 1882 N VAL A 206 23.904 -8.990 49.819 1.00 28.52 N ATOM 1883 CA VAL A 206 24.231 -10.420 49.669 1.00 27.02 C ATOM 1884 C VAL A 206 24.839 -10.655 48.267 1.00 26.25 C ATOM 1885 O VAL A 206 24.333 -10.124 47.278 1.00 24.58 O ATOM 1886 CB VAL A 206 22.995 -11.340 49.953 1.00 30.99 C ATOM 1887 CG1 VAL A 206 23.294 -12.814 49.665 1.00 30.30 C ATOM 1888 CG2 VAL A 206 22.512 -11.185 51.402 1.00 31.06 C ATOM 1889 H VAL A 206 23.231 -8.563 49.151 1.00 0.00 H ATOM 1890 N TRP A 207 25.920 -11.435 48.196 1.00 20.81 N ATOM 1891 CA TRP A 207 26.546 -11.762 46.923 1.00 19.71 C ATOM 1892 C TRP A 207 25.819 -12.952 46.310 1.00 21.63 C ATOM 1893 O TRP A 207 25.403 -13.874 47.025 1.00 20.91 O ATOM 1894 CB TRP A 207 28.051 -12.033 47.096 1.00 18.52 C ATOM 1895 CG TRP A 207 28.829 -10.785 47.398 1.00 19.80 C ATOM 1896 CD1 TRP A 207 29.157 -10.296 48.632 1.00 22.72 C ATOM 1897 CD2 TRP A 207 29.368 -9.858 46.437 1.00 19.73 C ATOM 1898 NE1 TRP A 207 29.883 -9.127 48.501 1.00 22.83 N ATOM 1899 CE2 TRP A 207 29.998 -8.818 47.164 1.00 23.93 C ATOM 1900 CE3 TRP A 207 29.355 -9.795 45.026 1.00 20.68 C ATOM 1901 CZ2 TRP A 207 30.619 -7.734 46.532 1.00 22.89 C ATOM 1902 CZ3 TRP A 207 29.941 -8.701 44.397 1.00 21.96 C ATOM 1903 CH2 TRP A 207 30.568 -7.688 45.144 1.00 22.99 C ATOM 1904 HE1 TRP A 207 30.279 -8.571 49.286 1.00 0.00 H ATOM 1905 H TRP A 207 26.326 -11.819 49.073 1.00 0.00 H ATOM 1906 N HIS A 208 25.602 -12.901 44.998 1.00 17.46 N ATOM 1907 CA HIS A 208 24.920 -13.975 44.277 1.00 17.11 C ATOM 1908 C HIS A 208 25.766 -14.389 43.104 1.00 17.10 C ATOM 1909 O HIS A 208 26.355 -13.534 42.443 1.00 15.45 O ATOM 1910 CB HIS A 208 23.515 -13.539 43.810 1.00 19.08 C ATOM 1911 CG HIS A 208 22.529 -13.482 44.939 1.00 23.50 C ATOM 1912 ND1 HIS A 208 22.216 -12.286 45.564 1.00 26.08 N ATOM 1913 CD2 HIS A 208 21.856 -14.488 45.552 1.00 26.52 C ATOM 1914 CE1 HIS A 208 21.369 -12.594 46.537 1.00 25.73 C ATOM 1915 NE2 HIS A 208 21.116 -13.908 46.568 1.00 26.58 N ATOM 1916 H HIS A 208 25.929 -12.069 44.467 1.00 0.00 H ATOM 1917 N LEU A 209 25.828 -15.700 42.842 1.00 12.66 N ATOM 1918 CA LEU A 209 26.589 -16.222 41.713 1.00 10.84 C ATOM 1919 C LEU A 209 25.713 -16.082 40.476 1.00 15.08 C ATOM 1920 O LEU A 209 24.884 -16.942 40.193 1.00 14.74 O ATOM 1921 CB LEU A 209 26.964 -17.690 41.982 1.00 10.05 C ATOM 1922 CG LEU A 209 27.872 -18.349 40.933 1.00 14.02 C ATOM 1923 CD1 LEU A 209 29.159 -17.545 40.749 1.00 12.36 C ATOM 1924 CD2 LEU A 209 28.143 -19.828 41.306 1.00 14.51 C ATOM 1925 H LEU A 209 25.320 -16.364 43.460 1.00 0.00 H ATOM 1926 N VAL A 210 25.896 -14.991 39.747 1.00 12.56 N ATOM 1927 CA VAL A 210 25.063 -14.664 38.588 1.00 11.91 C ATOM 1928 C VAL A 210 25.542 -15.343 37.311 1.00 15.12 C ATOM 1929 O VAL A 210 24.712 -15.833 36.530 1.00 14.13 O ATOM 1930 CB VAL A 210 24.924 -13.121 38.447 1.00 15.72 C ATOM 1931 CG1 VAL A 210 24.360 -12.719 37.074 1.00 15.30 C ATOM 1932 CG2 VAL A 210 24.033 -12.583 39.581 1.00 15.83 C ATOM 1933 H VAL A 210 26.663 -14.340 40.009 1.00 0.00 H ATOM 1934 N GLY A 211 26.858 -15.378 37.109 1.00 11.43 N ATOM 1935 CA GLY A 211 27.418 -15.987 35.913 1.00 10.57 C ATOM 1936 C GLY A 211 28.603 -16.890 36.157 1.00 13.68 C ATOM 1937 O GLY A 211 29.250 -16.815 37.211 1.00 12.76 O ATOM 1938 H GLY A 211 27.496 -14.963 37.818 1.00 0.00 H ATOM 1939 N ILE A 212 28.881 -17.759 35.160 1.00 9.46 N ATOM 1940 CA ILE A 212 30.091 -18.569 35.113 1.00 9.36 C ATOM 1941 C ILE A 212 30.862 -18.081 33.870 1.00 13.14 C ATOM 1942 O ILE A 212 30.335 -18.180 32.761 1.00 11.83 O ATOM 1943 CB ILE A 212 29.877 -20.111 35.058 1.00 11.80 C ATOM 1944 CG1 ILE A 212 28.999 -20.633 36.229 1.00 11.29 C ATOM 1945 CG2 ILE A 212 31.255 -20.821 35.037 1.00 9.61 C ATOM 1946 CD1 ILE A 212 28.472 -22.086 35.970 1.00 11.02 C ATOM 1947 H ILE A 212 28.194 -17.855 34.385 1.00 0.00 H ATOM 1948 N THR A 213 32.105 -17.584 34.048 1.00 10.62 N ATOM 1949 CA THR A 213 32.961 -17.104 32.928 1.00 10.79 C ATOM 1950 C THR A 213 33.055 -18.192 31.845 1.00 14.21 C ATOM 1951 O THR A 213 33.507 -19.299 32.132 1.00 13.61 O ATOM 1952 CB THR A 213 34.324 -16.667 33.469 1.00 14.41 C ATOM 1953 OG1 THR A 213 34.099 -15.695 34.496 1.00 13.22 O ATOM 1954 CG2 THR A 213 35.260 -16.116 32.360 1.00 9.88 C ATOM 1955 HG1 THR A 213 34.969 -15.396 34.862 1.00 0.00 H ATOM 1956 H THR A 213 32.483 -17.534 35.015 1.00 0.00 H ATOM 1957 N SER A 214 32.595 -17.881 30.621 1.00 9.80 N ATOM 1958 CA SER A 214 32.491 -18.896 29.586 1.00 9.92 C ATOM 1959 C SER A 214 33.288 -18.581 28.328 1.00 13.26 C ATOM 1960 O SER A 214 34.281 -19.259 28.070 1.00 11.91 O ATOM 1961 CB SER A 214 31.014 -19.182 29.278 1.00 12.69 C ATOM 1962 OG SER A 214 30.838 -20.235 28.341 1.00 13.55 O ATOM 1963 HG SER A 214 31.238 -21.066 28.701 1.00 0.00 H ATOM 1964 H SER A 214 32.310 -16.903 30.412 1.00 0.00 H ATOM 1965 N TRP A 215 32.879 -17.574 27.542 1.00 10.86 N ATOM 1966 CA TRP A 215 33.625 -17.304 26.310 1.00 11.61 C ATOM 1967 C TRP A 215 33.490 -15.841 25.860 1.00 13.75 C ATOM 1968 O TRP A 215 32.695 -15.078 26.405 1.00 11.37 O ATOM 1969 CB TRP A 215 33.176 -18.291 25.188 1.00 10.58 C ATOM 1970 CG TRP A 215 31.725 -18.149 24.793 1.00 11.28 C ATOM 1971 CD1 TRP A 215 30.643 -18.699 25.418 1.00 13.94 C ATOM 1972 CD2 TRP A 215 31.208 -17.385 23.686 1.00 11.31 C ATOM 1973 NE1 TRP A 215 29.480 -18.281 24.803 1.00 13.34 N ATOM 1974 CE2 TRP A 215 29.801 -17.513 23.709 1.00 14.95 C ATOM 1975 CE3 TRP A 215 31.803 -16.601 22.676 1.00 12.65 C ATOM 1976 CZ2 TRP A 215 28.976 -16.899 22.749 1.00 14.32 C ATOM 1977 CZ3 TRP A 215 30.985 -15.973 21.743 1.00 13.85 C ATOM 1978 CH2 TRP A 215 29.594 -16.155 21.762 1.00 14.43 C ATOM 1979 HE1 TRP A 215 28.515 -18.510 25.117 1.00 0.00 H ATOM 1980 H TRP A 215 32.052 -16.999 27.801 1.00 0.00 H ATOM 1981 N GLY A 216 34.282 -15.471 24.874 1.00 12.11 N ATOM 1982 CA GLY A 216 34.229 -14.142 24.276 1.00 12.43 C ATOM 1983 C GLY A 216 35.051 -14.143 23.004 1.00 17.00 C ATOM 1984 O GLY A 216 35.759 -15.117 22.741 1.00 16.82 O ATOM 1985 H GLY A 216 34.974 -16.155 24.507 1.00 0.00 H ATOM 1986 N GLU A 217 34.942 -13.086 22.189 1.00 14.13 N ATOM 1987 CA GLU A 217 35.787 -12.965 20.987 1.00 13.69 C ATOM 1988 C GLU A 217 36.987 -12.116 21.459 1.00 17.11 C ATOM 1989 O GLU A 217 36.853 -10.898 21.603 1.00 16.82 O ATOM 1990 CB GLU A 217 35.026 -12.256 19.841 1.00 15.14 C ATOM 1991 CG GLU A 217 35.848 -12.148 18.559 1.00 18.71 C ATOM 1992 CD GLU A 217 36.372 -13.482 18.060 1.00 28.69 C ATOM 1993 OE1 GLU A 217 35.533 -14.369 17.805 1.00 26.01 O ATOM 1994 OE2 GLU A 217 37.607 -13.681 18.026 1.00 24.68 O ATOM 1995 H GLU A 217 34.251 -12.340 22.407 1.00 0.00 H ATOM 1996 N GLY A 218 38.118 -12.764 21.708 1.00 12.64 N ATOM 1997 CA GLY A 218 39.304 -12.110 22.268 1.00 13.80 C ATOM 1998 C GLY A 218 39.068 -11.786 23.741 1.00 17.33 C ATOM 1999 O GLY A 218 38.313 -12.498 24.415 1.00 16.00 O ATOM 2000 H GLY A 218 38.165 -13.781 21.496 1.00 0.00 H ATOM 2001 N CYS A 219 39.661 -10.693 24.254 1.00 13.57 N ATOM 2002 CA CYS A 219 39.463 -10.308 25.666 1.00 14.26 C ATOM 2003 C CYS A 219 39.323 -8.801 25.721 1.00 18.44 C ATOM 2004 O CYS A 219 40.196 -8.107 25.187 1.00 17.40 O ATOM 2005 CB CYS A 219 40.649 -10.749 26.528 1.00 14.29 C ATOM 2006 SG CYS A 219 40.993 -12.528 26.501 1.00 18.63 S ATOM 2007 H CYS A 219 40.270 -10.109 23.646 1.00 0.00 H ATOM 2008 N ALA A 220 38.263 -8.298 26.368 1.00 14.88 N ATOM 2009 CA ALA A 220 38.028 -6.868 26.629 1.00 16.05 C ATOM 2010 C ALA A 220 37.986 -5.993 25.392 1.00 19.50 C ATOM 2011 O ALA A 220 38.337 -4.803 25.464 1.00 18.98 O ATOM 2012 CB ALA A 220 39.081 -6.339 27.617 1.00 16.92 C ATOM 2013 H ALA A 220 37.549 -8.971 26.713 1.00 0.00 H ATOM 2014 N GLN A 221 37.568 -6.567 24.251 1.00 15.36 N ATOM 2015 CA GLN A 221 37.498 -5.772 23.021 1.00 14.50 C ATOM 2016 C GLN A 221 36.268 -4.895 23.046 1.00 16.45 C ATOM 2017 O GLN A 221 35.259 -5.234 23.662 1.00 13.99 O ATOM 2018 CB GLN A 221 37.482 -6.662 21.773 1.00 15.40 C ATOM 2019 CG GLN A 221 38.717 -7.543 21.671 1.00 17.43 C ATOM 2020 CD GLN A 221 38.945 -7.954 20.259 1.00 23.13 C ATOM 2021 OE1 GLN A 221 39.644 -7.268 19.500 1.00 18.29 O ATOM 2022 NE2 GLN A 221 38.312 -9.044 19.868 1.00 13.32 N ATOM 2023 HE22 GLN A 221 37.738 -9.584 20.547 1.00 0.00 H ATOM 2024 HE21 GLN A 221 38.387 -9.363 18.881 1.00 0.00 H ATOM 2025 H GLN A 221 37.295 -7.571 24.241 1.00 0.00 H ATOM 2026 N ARG A 222 36.348 -3.758 22.363 1.00 14.93 N ATOM 2027 CA ARG A 222 35.218 -2.844 22.224 1.00 14.38 C ATOM 2028 C ARG A 222 34.071 -3.646 21.585 1.00 14.66 C ATOM 2029 O ARG A 222 34.312 -4.443 20.657 1.00 14.05 O ATOM 2030 CB ARG A 222 35.663 -1.725 21.261 1.00 17.34 C ATOM 2031 CG ARG A 222 34.543 -0.863 20.717 1.00 22.30 C ATOM 2032 CD ARG A 222 35.123 0.154 19.748 1.00 23.18 C ATOM 2033 NE ARG A 222 34.071 1.035 19.265 1.00 26.08 N ATOM 2034 CZ ARG A 222 34.280 2.147 18.565 1.00 38.59 C ATOM 2035 NH1 ARG A 222 33.258 2.902 18.193 1.00 26.54 N ATOM 2036 NH2 ARG A 222 35.516 2.524 18.252 1.00 19.57 N ATOM 2037 HE ARG A 222 33.087 0.778 19.482 1.00 0.00 H ATOM 2038 HH12 ARG A 222 33.425 3.771 17.646 1.00 0.00 H ATOM 2039 HH11 ARG A 222 32.288 2.627 18.448 1.00 0.00 H ATOM 2040 HH22 ARG A 222 35.671 3.395 17.705 1.00 0.00 H ATOM 2041 HH21 ARG A 222 36.328 1.948 18.555 1.00 0.00 H ATOM 2042 H ARG A 222 37.251 -3.510 21.910 1.00 0.00 H ATOM 2043 N GLU A 223 32.857 -3.477 22.107 1.00 11.91 N ATOM 2044 CA GLU A 223 31.628 -4.100 21.585 1.00 13.73 C ATOM 2045 C GLU A 223 31.660 -5.643 21.514 1.00 17.43 C ATOM 2046 O GLU A 223 30.956 -6.250 20.696 1.00 15.66 O ATOM 2047 CB GLU A 223 31.253 -3.486 20.207 1.00 15.19 C ATOM 2048 CG GLU A 223 30.790 -2.044 20.357 1.00 21.76 C ATOM 2049 CD GLU A 223 30.827 -1.273 19.058 1.00 35.83 C ATOM 2050 OE1 GLU A 223 30.051 -1.610 18.140 1.00 28.32 O ATOM 2051 OE2 GLU A 223 31.693 -0.382 18.934 1.00 36.96 O ATOM 2052 H GLU A 223 32.771 -2.862 22.941 1.00 0.00 H ATOM 2053 N ARG A 224 32.437 -6.272 22.404 1.00 15.43 N ATOM 2054 CA ARG A 224 32.503 -7.745 22.508 1.00 14.81 C ATOM 2055 C ARG A 224 32.368 -8.085 23.981 1.00 16.40 C ATOM 2056 O ARG A 224 33.380 -8.230 24.659 1.00 15.64 O ATOM 2057 CB ARG A 224 33.825 -8.315 21.946 1.00 12.53 C ATOM 2058 CG ARG A 224 33.993 -8.173 20.422 1.00 14.72 C ATOM 2059 CD ARG A 224 32.913 -8.906 19.606 1.00 17.46 C ATOM 2060 NE ARG A 224 33.356 -9.105 18.218 1.00 15.96 N ATOM 2061 CZ ARG A 224 32.811 -9.975 17.376 1.00 26.84 C ATOM 2062 NH1 ARG A 224 31.765 -10.701 17.746 1.00 15.38 N ATOM 2063 NH2 ARG A 224 33.307 -10.126 16.157 1.00 19.72 N ATOM 2064 HE ARG A 224 34.148 -8.526 17.873 1.00 0.00 H ATOM 2065 HH12 ARG A 224 31.343 -11.381 17.082 1.00 0.00 H ATOM 2066 HH11 ARG A 224 31.367 -10.591 18.700 1.00 0.00 H ATOM 2067 HH22 ARG A 224 32.876 -10.809 15.501 1.00 0.00 H ATOM 2068 HH21 ARG A 224 34.127 -9.562 15.856 1.00 0.00 H ATOM 2069 H ARG A 224 33.019 -5.700 23.049 1.00 0.00 H ATOM 2070 N PRO A 225 31.145 -8.104 24.543 1.00 13.51 N ATOM 2071 CA PRO A 225 31.041 -8.433 25.974 1.00 13.82 C ATOM 2072 C PRO A 225 31.422 -9.884 26.266 1.00 14.93 C ATOM 2073 O PRO A 225 31.356 -10.734 25.390 1.00 14.58 O ATOM 2074 CB PRO A 225 29.581 -8.149 26.318 1.00 15.75 C ATOM 2075 CG PRO A 225 28.857 -8.054 25.021 1.00 19.24 C ATOM 2076 CD PRO A 225 29.823 -7.959 23.901 1.00 14.11 C ATOM 2077 N GLY A 226 31.851 -10.144 27.487 1.00 12.60 N ATOM 2078 CA GLY A 226 32.143 -11.507 27.912 1.00 11.80 C ATOM 2079 C GLY A 226 30.812 -12.223 27.988 1.00 15.29 C ATOM 2080 O GLY A 226 29.804 -11.597 28.318 1.00 14.20 O ATOM 2081 H GLY A 226 31.983 -9.361 28.159 1.00 0.00 H ATOM 2082 N VAL A 227 30.779 -13.514 27.625 1.00 11.97 N ATOM 2083 CA VAL A 227 29.552 -14.327 27.663 1.00 9.96 C ATOM 2084 C VAL A 227 29.711 -15.303 28.820 1.00 12.19 C ATOM 2085 O VAL A 227 30.723 -15.991 28.922 1.00 11.48 O ATOM 2086 CB VAL A 227 29.227 -15.041 26.328 1.00 12.94 C ATOM 2087 CG1 VAL A 227 27.838 -15.698 26.389 1.00 12.24 C ATOM 2088 CG2 VAL A 227 29.303 -14.059 25.140 1.00 12.33 C ATOM 2089 H VAL A 227 31.661 -13.961 27.302 1.00 0.00 H ATOM 2090 N TYR A 228 28.718 -15.321 29.708 1.00 9.62 N ATOM 2091 CA TYR A 228 28.711 -16.124 30.910 1.00 9.42 C ATOM 2092 C TYR A 228 27.519 -17.057 30.917 1.00 13.47 C ATOM 2093 O TYR A 228 26.472 -16.727 30.362 1.00 11.62 O ATOM 2094 CB TYR A 228 28.610 -15.190 32.141 1.00 10.06 C ATOM 2095 CG TYR A 228 29.772 -14.221 32.275 1.00 10.93 C ATOM 2096 CD1 TYR A 228 29.841 -13.059 31.497 1.00 11.91 C ATOM 2097 CD2 TYR A 228 30.781 -14.439 33.210 1.00 10.76 C ATOM 2098 CE1 TYR A 228 30.912 -12.165 31.626 1.00 12.25 C ATOM 2099 CE2 TYR A 228 31.867 -13.566 33.328 1.00 10.79 C ATOM 2100 CZ TYR A 228 31.938 -12.442 32.523 1.00 15.47 C ATOM 2101 OH TYR A 228 33.012 -11.592 32.681 1.00 14.09 O ATOM 2102 HH TYR A 228 32.931 -10.838 32.044 1.00 0.00 H ATOM 2103 H TYR A 228 27.892 -14.716 29.524 1.00 0.00 H ATOM 2104 N THR A 229 27.667 -18.216 31.565 1.00 11.56 N ATOM 2105 CA THR A 229 26.534 -19.118 31.771 1.00 11.43 C ATOM 2106 C THR A 229 25.608 -18.378 32.758 1.00 13.53 C ATOM 2107 O THR A 229 26.077 -17.911 33.798 1.00 11.54 O ATOM 2108 CB THR A 229 27.031 -20.439 32.363 1.00 12.96 C ATOM 2109 OG1 THR A 229 27.954 -21.010 31.434 1.00 11.68 O ATOM 2110 CG2 THR A 229 25.876 -21.429 32.643 1.00 10.96 C ATOM 2111 HG1 THR A 229 28.293 -21.868 31.792 1.00 0.00 H ATOM 2112 H THR A 229 28.604 -18.482 31.929 1.00 0.00 H ATOM 2113 N ASN A 230 24.321 -18.242 32.411 1.00 11.35 N ATOM 2114 CA ASN A 230 23.347 -17.521 33.229 1.00 11.44 C ATOM 2115 C ASN A 230 22.871 -18.476 34.313 1.00 14.44 C ATOM 2116 O ASN A 230 21.935 -19.256 34.106 1.00 13.65 O ATOM 2117 CB ASN A 230 22.200 -17.007 32.343 1.00 10.89 C ATOM 2118 CG ASN A 230 21.209 -16.123 33.042 1.00 22.23 C ATOM 2119 OD1 ASN A 230 21.424 -15.689 34.167 1.00 19.67 O ATOM 2120 ND2 ASN A 230 20.123 -15.786 32.352 1.00 14.35 N ATOM 2121 HD22 ASN A 230 19.972 -16.173 31.399 1.00 0.00 H ATOM 2122 HD21 ASN A 230 19.425 -15.135 32.766 1.00 0.00 H ATOM 2123 H ASN A 230 24.000 -18.669 31.519 1.00 0.00 H ATOM 2124 N VAL A 231 23.545 -18.428 35.475 1.00 12.34 N ATOM 2125 CA VAL A 231 23.362 -19.383 36.582 1.00 11.63 C ATOM 2126 C VAL A 231 21.875 -19.549 37.027 1.00 17.45 C ATOM 2127 O VAL A 231 21.447 -20.685 37.263 1.00 15.75 O ATOM 2128 CB VAL A 231 24.314 -19.072 37.776 1.00 14.60 C ATOM 2129 CG1 VAL A 231 24.033 -19.984 38.988 1.00 14.40 C ATOM 2130 CG2 VAL A 231 25.780 -19.230 37.348 1.00 13.54 C ATOM 2131 H VAL A 231 24.242 -17.666 35.601 1.00 0.00 H ATOM 2132 N VAL A 232 21.090 -18.454 37.083 1.00 14.55 N ATOM 2133 CA VAL A 232 19.675 -18.538 37.517 1.00 14.94 C ATOM 2134 C VAL A 232 18.885 -19.571 36.675 1.00 18.17 C ATOM 2135 O VAL A 232 18.035 -20.264 37.212 1.00 17.23 O ATOM 2136 CB VAL A 232 18.979 -17.140 37.592 1.00 18.41 C ATOM 2137 CG1 VAL A 232 18.671 -16.568 36.202 1.00 17.31 C ATOM 2138 CG2 VAL A 232 17.709 -17.200 38.454 1.00 19.04 C ATOM 2139 H VAL A 232 21.486 -17.530 36.816 1.00 0.00 H ATOM 2140 N GLU A 233 19.235 -19.732 35.385 1.00 14.75 N ATOM 2141 CA GLU A 233 18.564 -20.687 34.495 1.00 13.88 C ATOM 2142 C GLU A 233 18.960 -22.142 34.751 1.00 18.56 C ATOM 2143 O GLU A 233 18.388 -23.046 34.147 1.00 19.08 O ATOM 2144 CB GLU A 233 18.792 -20.303 33.024 1.00 15.17 C ATOM 2145 CG GLU A 233 18.255 -18.927 32.638 1.00 22.04 C ATOM 2146 CD GLU A 233 16.785 -18.639 32.915 1.00 38.35 C ATOM 2147 OE1 GLU A 233 15.950 -19.554 32.748 1.00 30.68 O ATOM 2148 OE2 GLU A 233 16.471 -17.497 33.315 1.00 33.84 O ATOM 2149 H GLU A 233 20.013 -19.156 35.004 1.00 0.00 H ATOM 2150 N TYR A 234 19.914 -22.375 35.656 1.00 13.91 N ATOM 2151 CA TYR A 234 20.396 -23.714 35.985 1.00 12.66 C ATOM 2152 C TYR A 234 20.245 -24.067 37.458 1.00 14.83 C ATOM 2153 O TYR A 234 20.782 -25.085 37.879 1.00 14.11 O ATOM 2154 CB TYR A 234 21.864 -23.863 35.577 1.00 12.83 C ATOM 2155 CG TYR A 234 22.066 -23.801 34.082 1.00 13.68 C ATOM 2156 CD1 TYR A 234 21.968 -24.950 33.298 1.00 14.52 C ATOM 2157 CD2 TYR A 234 22.381 -22.597 33.450 1.00 13.40 C ATOM 2158 CE1 TYR A 234 22.161 -24.901 31.917 1.00 14.18 C ATOM 2159 CE2 TYR A 234 22.560 -22.533 32.065 1.00 13.00 C ATOM 2160 CZ TYR A 234 22.482 -23.692 31.312 1.00 16.64 C ATOM 2161 OH TYR A 234 22.667 -23.629 29.962 1.00 15.55 O ATOM 2162 HH TYR A 234 23.571 -23.273 29.770 1.00 0.00 H ATOM 2163 H TYR A 234 20.335 -21.563 36.151 1.00 0.00 H ATOM 2164 N VAL A 235 19.525 -23.254 38.241 1.00 13.24 N ATOM 2165 CA VAL A 235 19.327 -23.551 39.665 1.00 13.54 C ATOM 2166 C VAL A 235 18.685 -24.945 39.849 1.00 15.28 C ATOM 2167 O VAL A 235 19.171 -25.719 40.662 1.00 13.83 O ATOM 2168 CB VAL A 235 18.584 -22.415 40.421 1.00 18.92 C ATOM 2169 CG1 VAL A 235 18.120 -22.875 41.805 1.00 19.35 C ATOM 2170 CG2 VAL A 235 19.487 -21.170 40.549 1.00 18.87 C ATOM 2171 H VAL A 235 19.099 -22.397 37.833 1.00 0.00 H ATOM 2172 N ASP A 236 17.655 -25.288 39.058 1.00 13.70 N ATOM 2173 CA ASP A 236 17.032 -26.604 39.193 1.00 14.01 C ATOM 2174 C ASP A 236 17.977 -27.736 38.814 1.00 15.11 C ATOM 2175 O ASP A 236 18.007 -28.738 39.509 1.00 12.78 O ATOM 2176 CB ASP A 236 15.687 -26.677 38.440 1.00 17.25 C ATOM 2177 CG ASP A 236 14.593 -25.847 39.129 1.00 33.42 C ATOM 2178 OD1 ASP A 236 14.771 -25.483 40.322 1.00 35.03 O ATOM 2179 OD2 ASP A 236 13.572 -25.571 38.487 1.00 45.34 O ATOM 2180 H ASP A 236 17.300 -24.616 38.348 1.00 0.00 H ATOM 2181 N TRP A 237 18.792 -27.564 37.762 1.00 13.18 N ATOM 2182 CA TRP A 237 19.796 -28.564 37.384 1.00 12.55 C ATOM 2183 C TRP A 237 20.803 -28.755 38.536 1.00 15.23 C ATOM 2184 O TRP A 237 21.162 -29.895 38.850 1.00 14.55 O ATOM 2185 CB TRP A 237 20.534 -28.138 36.079 1.00 11.44 C ATOM 2186 CG TRP A 237 21.624 -29.097 35.680 1.00 11.86 C ATOM 2187 CD1 TRP A 237 21.482 -30.237 34.940 1.00 14.48 C ATOM 2188 CD2 TRP A 237 23.018 -29.003 36.014 1.00 11.63 C ATOM 2189 NE1 TRP A 237 22.697 -30.865 34.799 1.00 14.59 N ATOM 2190 CE2 TRP A 237 23.666 -30.109 35.417 1.00 15.97 C ATOM 2191 CE3 TRP A 237 23.795 -28.067 36.738 1.00 12.12 C ATOM 2192 CZ2 TRP A 237 25.046 -30.334 35.552 1.00 14.88 C ATOM 2193 CZ3 TRP A 237 25.167 -28.284 36.855 1.00 13.25 C ATOM 2194 CH2 TRP A 237 25.779 -29.397 36.263 1.00 13.70 C ATOM 2195 HE1 TRP A 237 22.858 -31.766 34.305 1.00 0.00 H ATOM 2196 H TRP A 237 18.709 -26.695 37.197 1.00 0.00 H ATOM 2197 N ILE A 238 21.280 -27.648 39.147 1.00 12.62 N ATOM 2198 CA ILE A 238 22.257 -27.723 40.256 1.00 12.65 C ATOM 2199 C ILE A 238 21.651 -28.511 41.435 1.00 15.94 C ATOM 2200 O ILE A 238 22.302 -29.413 41.971 1.00 13.89 O ATOM 2201 CB ILE A 238 22.736 -26.308 40.699 1.00 15.25 C ATOM 2202 CG1 ILE A 238 23.557 -25.590 39.577 1.00 15.38 C ATOM 2203 CG2 ILE A 238 23.570 -26.413 41.996 1.00 15.95 C ATOM 2204 CD1 ILE A 238 23.722 -24.054 39.814 1.00 17.84 C ATOM 2205 H ILE A 238 20.950 -26.715 38.828 1.00 0.00 H ATOM 2206 N LEU A 239 20.392 -28.179 41.815 1.00 13.77 N ATOM 2207 CA LEU A 239 19.698 -28.864 42.914 1.00 13.63 C ATOM 2208 C LEU A 239 19.471 -30.318 42.577 1.00 16.07 C ATOM 2209 O LEU A 239 19.635 -31.175 43.439 1.00 15.56 O ATOM 2210 CB LEU A 239 18.367 -28.172 43.252 1.00 14.69 C ATOM 2211 CG LEU A 239 18.468 -26.740 43.829 1.00 20.11 C ATOM 2212 CD1 LEU A 239 17.086 -26.131 44.012 1.00 20.59 C ATOM 2213 CD2 LEU A 239 19.232 -26.720 45.150 1.00 23.44 C ATOM 2214 H LEU A 239 19.901 -27.413 41.311 1.00 0.00 H ATOM 2215 N GLU A 240 19.133 -30.620 41.309 1.00 13.60 N ATOM 2216 CA GLU A 240 18.969 -32.008 40.879 1.00 13.75 C ATOM 2217 C GLU A 240 20.231 -32.825 41.183 1.00 17.93 C ATOM 2218 O GLU A 240 20.156 -33.911 41.744 1.00 16.27 O ATOM 2219 CB GLU A 240 18.668 -32.051 39.378 1.00 14.78 C ATOM 2220 CG GLU A 240 18.672 -33.455 38.796 1.00 16.21 C ATOM 2221 CD GLU A 240 18.651 -33.485 37.286 1.00 19.11 C ATOM 2222 OE1 GLU A 240 18.804 -34.593 36.731 1.00 16.96 O ATOM 2223 OE2 GLU A 240 18.483 -32.412 36.660 1.00 15.91 O ATOM 2224 H GLU A 240 18.986 -29.852 40.623 1.00 0.00 H ATOM 2225 N LYS A 241 21.392 -32.287 40.808 1.00 15.42 N ATOM 2226 CA LYS A 241 22.672 -32.968 40.985 1.00 15.93 C ATOM 2227 C LYS A 241 23.206 -32.961 42.415 1.00 21.70 C ATOM 2228 O LYS A 241 23.833 -33.933 42.806 1.00 22.63 O ATOM 2229 CB LYS A 241 23.713 -32.375 40.009 1.00 18.12 C ATOM 2230 CG LYS A 241 23.309 -32.438 38.519 1.00 14.61 C ATOM 2231 CD LYS A 241 23.010 -33.857 38.042 1.00 19.35 C ATOM 2232 CE LYS A 241 22.626 -33.909 36.583 1.00 23.53 C ATOM 2233 NZ LYS A 241 22.612 -35.316 36.087 1.00 29.32 N ATOM 2234 HZ1 LYS A 241 23.559 -35.731 36.200 1.00 0.00 H ATOM 2235 HZ2 LYS A 241 21.922 -35.869 36.635 1.00 0.00 H ATOM 2236 HZ3 LYS A 241 22.345 -35.325 35.082 1.00 0.00 H ATOM 2237 H LYS A 241 21.386 -31.343 40.371 1.00 0.00 H ATOM 2238 N THR A 242 23.003 -31.868 43.184 1.00 18.65 N ATOM 2239 CA THR A 242 23.556 -31.762 44.547 1.00 18.58 C ATOM 2240 C THR A 242 22.624 -32.286 45.657 1.00 24.45 C ATOM 2241 O THR A 242 23.110 -32.585 46.753 1.00 23.65 O ATOM 2242 CB THR A 242 23.985 -30.316 44.871 1.00 19.22 C ATOM 2243 OG1 THR A 242 22.823 -29.490 44.923 1.00 21.83 O ATOM 2244 CG2 THR A 242 25.012 -29.750 43.867 1.00 14.41 C ATOM 2245 HG1 THR A 242 22.362 -29.515 44.047 1.00 0.00 H ATOM 2246 H THR A 242 22.441 -31.080 42.804 1.00 0.00 H ATOM 2247 N GLN A 243 21.293 -32.325 45.401 1.00 21.16 N ATOM 2248 CA GLN A 243 20.286 -32.747 46.395 1.00 20.78 C ATOM 2249 C GLN A 243 19.672 -34.096 46.037 1.00 26.25 C ATOM 2250 O GLN A 243 18.572 -34.394 46.493 1.00 25.99 O ATOM 2251 CB GLN A 243 19.152 -31.711 46.538 1.00 21.32 C ATOM 2252 CG GLN A 243 19.568 -30.251 46.598 1.00 35.61 C ATOM 2253 CD GLN A 243 20.277 -29.935 47.863 1.00 54.82 C ATOM 2254 OE1 GLN A 243 19.684 -29.940 48.939 1.00 55.08 O ATOM 2255 NE2 GLN A 243 21.567 -29.685 47.755 1.00 47.83 N ATOM 2256 HE22 GLN A 243 22.022 -29.693 46.820 1.00 0.00 H ATOM 2257 HE21 GLN A 243 22.130 -29.480 48.605 1.00 0.00 H ATOM 2258 H GLN A 243 20.964 -32.043 44.455 1.00 0.00 H ATOM 2259 N ALA A 244 20.375 -34.906 45.235 1.00 24.88 N ATOM 2260 CA ALA A 244 19.910 -36.219 44.797 1.00 26.30 C ATOM 2261 C ALA A 244 19.630 -37.169 45.976 1.00 35.49 C ATOM 2262 O ALA A 244 20.332 -37.130 46.991 1.00 35.05 O ATOM 2263 CB ALA A 244 20.921 -36.851 43.847 1.00 26.66 C ATOM 2264 H ALA A 244 21.306 -34.581 44.905 1.00 0.00 H ATOM 2265 N VAL A 245 18.627 -38.052 45.772 1.00 33.63 N ATOM 2266 CA VAL A 245 18.050 -39.138 46.590 1.00 47.22 C ATOM 2267 C VAL A 245 17.119 -38.554 47.654 1.00 81.78 C ATOM 2268 O VAL A 245 15.950 -38.315 47.358 1.00 45.09 O ATOM 2269 CB VAL A 245 19.020 -40.227 47.154 1.00 50.73 C ATOM 2270 CG1 VAL A 245 20.069 -40.641 46.130 1.00 50.38 C ATOM 2271 CG2 VAL A 245 19.661 -39.831 48.487 1.00 50.81 C ATOM 2272 H VAL A 245 18.166 -37.944 44.846 1.00 0.00 H TER 2273 VAL A 245 HETATM 2274 O HOH 1 33.189 -9.530 30.917 1.00 24.24 O HETATM 2275 O HOH 2 27.544 -30.466 50.205 1.00 28.93 O HETATM 2276 O HOH 3 29.908 -13.359 16.456 1.00 16.64 O HETATM 2277 O HOH 4 46.958 -16.088 23.824 1.00 39.17 O HETATM 2278 O HOH 5 17.651 -28.406 29.888 1.00 14.56 O HETATM 2279 O HOH 6 43.847 -12.074 36.333 1.00 14.10 O HETATM 2280 O HOH 7 32.534 -35.605 49.876 1.00 44.00 O HETATM 2281 O HOH 8 34.528 -4.670 28.510 1.00 18.83 O HETATM 2282 O HOH 9 38.668 -19.978 56.468 1.00 18.43 O HETATM 2283 O HOH 10 42.385 -32.606 21.295 1.00 36.09 O HETATM 2284 O HOH 11 41.271 -15.783 51.135 1.00 33.99 O HETATM 2285 O HOH 12 56.649 -28.791 54.000 1.00 15.53 O HETATM 2286 O HOH 13 49.617 -29.054 46.965 1.00 15.22 O HETATM 2287 O HOH 14 35.810 -13.354 53.854 1.00 25.98 O HETATM 2288 O HOH 15 35.353 -21.081 18.446 1.00 34.06 O HETATM 2289 O HOH 16 41.222 -35.377 42.406 1.00 17.38 O HETATM 2290 O HOH 17 21.818 -36.515 33.593 1.00 26.40 O HETATM 2291 O HOH 18 41.014 -28.901 29.803 1.00 20.42 O HETATM 2292 O HOH 19 18.455 -25.408 32.882 1.00 36.25 O HETATM 2293 O HOH 20 24.190 -5.951 41.760 1.00 45.89 O HETATM 2294 O HOH 21 33.796 -8.976 47.842 1.00 34.84 O HETATM 2295 O HOH 22 39.547 -17.024 49.562 1.00 23.74 O HETATM 2296 O HOH 23 32.182 -5.197 25.756 1.00 20.57 O HETATM 2297 O HOH 24 25.545 -4.417 36.047 1.00 27.26 O HETATM 2298 O HOH 25 26.754 -26.704 24.204 1.00 13.54 O HETATM 2299 O HOH 26 34.923 -10.792 25.357 1.00 18.36 O HETATM 2300 O HOH 27 42.330 -2.288 29.836 1.00 23.27 O HETATM 2301 O HOH 28 12.727 -25.055 35.981 1.00 49.63 O HETATM 2302 O HOH 29 38.377 -30.799 54.895 1.00 48.06 O HETATM 2303 O HOH 30 46.679 -36.230 40.692 1.00 41.03 O HETATM 2304 O HOH 31 26.639 -24.659 52.265 1.00 26.97 O HETATM 2305 O HOH 32 18.786 -3.672 24.992 1.00 46.44 O HETATM 2306 O HOH 33 45.974 -20.015 52.129 1.00 27.93 O HETATM 2307 O HOH 34 33.587 -16.133 18.420 1.00 48.81 O HETATM 2308 O HOH 35 22.034 -15.686 36.820 1.00 13.22 O HETATM 2309 O HOH 36 46.304 -7.669 47.495 1.00 34.83 O HETATM 2310 O HOH 37 39.896 -23.924 21.719 1.00 28.02 O HETATM 2311 O HOH 38 40.040 -32.065 53.187 1.00 30.13 O HETATM 2312 O HOH 39 35.414 -15.526 36.848 1.00 13.14 O HETATM 2313 O HOH 40 39.736 -38.702 42.047 1.00 37.39 O HETATM 2314 O HOH 41 28.321 -20.268 27.201 1.00 10.94 O HETATM 2315 O HOH 42 43.310 -16.999 52.437 1.00 21.61 O HETATM 2316 O HOH 43 22.883 -10.875 28.580 1.00 21.07 O HETATM 2317 O HOH 44 35.696 -21.877 60.802 1.00 19.30 O HETATM 2318 O HOH 45 22.515 -3.557 27.601 1.00 26.22 O HETATM 2319 O HOH 46 43.797 -3.763 45.451 1.00 47.12 O HETATM 2320 O HOH 47 24.677 -36.121 41.440 1.00 35.85 O HETATM 2321 O HOH 48 17.277 -36.622 37.690 1.00 16.21 O HETATM 2322 O HOH 49 42.101 -22.591 53.727 1.00 49.73 O HETATM 2323 O HOH 50 51.846 -29.527 43.995 1.00 38.62 O HETATM 2324 O HOH 51 23.652 -20.867 21.090 1.00 32.49 O HETATM 2325 O HOH 52 36.109 -41.070 42.254 1.00 38.31 O HETATM 2326 O HOH 53 25.167 -34.652 33.923 1.00 25.28 O HETATM 2327 O HOH 54 24.121 -21.564 28.942 1.00 12.72 O HETATM 2328 O HOH 55 48.552 -29.669 32.067 1.00 67.76 O HETATM 2329 O HOH 56 53.502 -11.873 30.163 1.00 50.55 O HETATM 2330 O HOH 57 19.058 -27.924 32.328 1.00 19.85 O HETATM 2331 O HOH 58 34.652 -6.270 26.108 1.00 21.73 O HETATM 2332 O HOH 59 45.094 -32.077 32.148 1.00 32.78 O HETATM 2333 O HOH 60 26.702 -37.643 42.485 1.00 34.91 O HETATM 2334 O HOH 61 19.522 -8.162 19.013 1.00 29.54 O HETATM 2335 O HOH 62 44.289 -2.558 35.363 1.00 42.02 O HETATM 2336 O HOH 63 38.868 -8.943 52.524 1.00 36.39 O HETATM 2337 O HOH 64 41.497 -7.779 17.560 1.00 39.83 O HETATM 2338 O HOH 65 50.908 -21.505 51.563 1.00 20.39 O HETATM 2339 O HOH 66 45.698 -23.584 27.666 1.00 32.98 O HETATM 2340 O HOH 67 51.223 -32.431 46.698 1.00 33.53 O HETATM 2341 O HOH 68 17.443 -14.942 33.279 1.00 34.88 O HETATM 2342 O HOH 69 28.311 -4.092 37.543 1.00 25.00 O HETATM 2343 O HOH 70 22.946 -30.266 23.077 1.00 53.51 O HETATM 2344 O HOH 71 32.339 -23.900 59.754 1.00 47.55 O HETATM 2345 O HOH 72 37.513 -17.805 59.918 1.00 13.55 O HETATM 2346 O HOH 73 38.158 -20.088 48.414 1.00 16.35 O HETATM 2347 O HOH 74 38.619 -15.197 24.077 1.00 20.40 O HETATM 2348 O HOH 75 25.236 -21.774 47.518 1.00 22.46 O HETATM 2349 O HOH 76 30.728 -3.473 46.095 1.00 50.35 O HETATM 2350 O HOH 77 51.415 -32.266 41.625 1.00 42.14 O HETATM 2351 O HOH 78 37.909 -25.981 26.336 1.00 13.32 O HETATM 2352 O HOH 79 48.829 -28.448 54.097 1.00 23.84 O HETATM 2353 O HOH 80 27.764 -1.911 28.612 1.00 27.09 O HETATM 2354 O HOH 81 21.544 -13.025 27.286 1.00 34.79 O HETATM 2355 O HOH 82 16.836 -30.213 36.729 1.00 31.43 O HETATM 2356 O HOH 83 50.061 -22.162 40.409 1.00 37.10 O HETATM 2357 O HOH 84 57.319 -25.631 52.237 1.00 31.23 O HETATM 2358 O HOH 85 37.221 1.452 22.659 1.00 35.21 O HETATM 2359 O HOH 86 33.644 -12.672 41.191 1.00 14.89 O HETATM 2360 O HOH 87 37.968 1.275 18.140 1.00 47.90 O HETATM 2361 O HOH 88 40.113 -34.143 49.542 1.00 18.84 O HETATM 2362 O HOH 89 29.367 -17.404 52.673 1.00 35.34 O HETATM 2363 O HOH 90 41.115 -19.424 46.392 1.00 32.48 O HETATM 2364 O HOH 91 32.952 -22.970 21.970 1.00 15.62 O HETATM 2365 O HOH 92 25.199 -32.620 48.633 1.00 37.24 O HETATM 2366 O HOH 93 23.777 -2.996 33.408 1.00 45.62 O HETATM 2367 O HOH 94 26.612 -27.021 19.239 1.00 27.63 O HETATM 2368 O HOH 95 31.646 -31.786 24.027 1.00 39.44 O HETATM 2369 O HOH 96 35.736 -20.663 26.171 1.00 18.36 O HETATM 2370 O HOH 97 26.335 -19.525 19.448 1.00 30.10 O HETATM 2371 O HOH 98 29.136 -9.252 15.688 1.00 23.97 O HETATM 2372 O HOH 99 44.015 -22.063 51.845 1.00 29.68 O HETATM 2373 O HOH 100 43.877 -7.194 35.832 1.00 28.34 O HETATM 2374 O HOH 101 26.784 -21.590 28.981 1.00 10.33 O HETATM 2375 O HOH 102 54.253 -14.074 46.144 1.00 32.98 O HETATM 2376 O HOH 103 19.022 -13.977 20.738 1.00 45.13 O HETATM 2377 O HOH 104 38.324 -17.307 37.564 1.00 13.71 O HETATM 2378 O HOH 105 31.906 -20.508 39.109 1.00 10.79 O HETATM 2379 O HOH 106 44.985 -5.392 31.940 1.00 22.31 O HETATM 2380 O HOH 107 52.350 -22.153 42.574 1.00 41.17 O HETATM 2381 O HOH 108 27.768 -33.263 27.552 1.00 23.51 O HETATM 2382 O HOH 109 22.897 -25.723 22.235 1.00 40.86 O HETATM 2383 O HOH 110 50.848 -18.938 32.138 1.00 25.78 O HETATM 2384 O HOH 111 36.899 -2.537 38.281 1.00 18.03 O HETATM 2385 O HOH 112 46.624 -5.390 38.094 1.00 52.39 O HETATM 2386 O HOH 113 31.083 -1.151 43.804 1.00 48.32 O HETATM 2387 O HOH 114 40.622 -21.225 31.871 1.00 13.01 O HETATM 2388 O HOH 115 23.874 -4.343 48.347 1.00 49.60 O HETATM 2389 O HOH 116 45.305 -8.795 51.023 1.00 29.23 O HETATM 2390 O HOH 117 37.294 -33.931 26.003 1.00 35.85 O HETATM 2391 O HOH 118 30.532 -6.681 17.936 1.00 23.88 O HETATM 2392 O HOH 119 54.501 -27.615 37.693 1.00 51.26 O HETATM 2393 O HOH 120 20.039 -8.076 36.064 1.00 50.67 O HETATM 2394 O HOH 121 34.454 -30.725 28.494 1.00 33.38 O HETATM 2395 O HOH 122 41.584 -5.827 24.219 1.00 47.07 O HETATM 2396 O HOH 123 56.607 -27.669 46.175 1.00 27.60 O HETATM 2397 O HOH 124 24.918 -36.869 36.697 1.00 45.40 O HETATM 2398 O HOH 125 36.565 -9.226 23.890 1.00 19.04 O HETATM 2399 O HOH 126 40.994 -17.925 37.394 1.00 10.02 O HETATM 2400 O HOH 127 29.485 -37.952 36.495 1.00 46.96 O HETATM 2401 O HOH 128 53.988 -30.807 38.751 1.00 40.51 O HETATM 2402 O HOH 129 17.144 -26.087 28.623 1.00 40.78 O HETATM 2403 O HOH 130 25.283 -2.135 30.174 1.00 48.06 O HETATM 2404 O HOH 131 23.448 -12.653 8.919 1.00 64.55 O HETATM 2405 O HOH 132 52.921 -17.742 41.292 1.00 40.12 O HETATM 2406 O HOH 133 38.939 -3.074 21.277 1.00 21.61 O HETATM 2407 O HOH 134 49.903 -22.642 37.497 1.00 21.36 O HETATM 2408 O HOH 135 48.192 -7.303 41.051 1.00 37.93 O HETATM 2409 O HOH 136 35.701 -34.283 29.489 1.00 46.20 O HETATM 2410 O HOH 137 42.309 -27.512 51.915 1.00 33.62 O HETATM 2411 O HOH 138 35.765 -35.387 31.975 1.00 56.69 O HETATM 2412 O HOH 139 27.473 -35.421 30.773 1.00 34.75 O HETATM 2413 O HOH 140 55.704 -20.964 45.622 1.00 34.91 O HETATM 2414 O HOH 141 33.832 -38.094 37.176 1.00 24.32 O HETATM 2415 O HOH 142 44.630 -8.056 24.709 1.00 56.30 O HETATM 2416 O HOH 143 29.096 -35.797 33.530 1.00 24.07 O HETATM 2417 O HOH 144 40.103 -2.042 37.784 1.00 41.32 O HETATM 2418 O HOH 145 30.125 -39.703 43.391 1.00 44.08 O HETATM 2419 O HOH 146 42.010 -30.407 52.332 1.00 33.84 O HETATM 2420 O HOH 147 32.570 -13.612 60.075 1.00 45.16 O HETATM 2421 O HOH 148 32.302 1.985 27.475 1.00 21.42 O HETATM 2422 O HOH 149 31.644 -33.285 16.651 1.00 40.57 O HETATM 2423 O HOH 150 31.071 -11.052 14.458 1.00 26.24 O HETATM 2424 O HOH 151 17.587 -25.769 35.735 1.00 20.19 O HETATM 2425 O HOH 152 51.916 -12.307 38.447 1.00 31.23 O HETATM 2426 O HOH 153 17.067 -8.169 25.893 1.00 29.18 O HETATM 2427 O HOH 154 42.719 -25.720 49.578 1.00 16.43 O HETATM 2428 O HOH 155 50.907 -16.336 25.979 1.00 47.23 O HETATM 2429 O HOH 156 46.465 -3.904 41.580 1.00 33.17 O HETATM 2430 O HOH 157 41.734 -37.495 44.106 1.00 47.16 O HETATM 2431 O HOH 158 38.758 -15.437 20.532 1.00 32.74 O HETATM 2432 O HOH 159 20.270 -29.923 23.404 1.00 28.78 O HETATM 2433 O HOH 160 29.117 0.589 28.405 1.00 31.34 O HETATM 2434 O HOH 161 46.112 -35.205 43.121 1.00 29.39 O HETATM 2435 O HOH 162 50.811 -10.928 49.805 1.00 44.62 O HETATM 2436 O HOH 163 24.538 -27.705 23.022 1.00 22.46 O HETATM 2437 O HOH 164 49.930 -10.854 40.176 1.00 22.66 O HETATM 2438 O HOH 165 41.422 -9.443 22.156 1.00 17.89 O HETATM 2439 O HOH 166 18.175 -9.563 28.914 1.00 31.59 O HETATM 2440 O HOH 167 44.039 -20.868 23.137 1.00 45.61 O HETATM 2441 O HOH 168 26.582 -27.271 52.238 1.00 34.84 O HETATM 2442 O HOH 169 36.404 -17.734 24.132 1.00 22.68 O HETATM 2443 O HOH 170 16.426 -23.232 37.196 1.00 22.59 O HETATM 2444 O HOH 171 38.620 -27.573 55.337 1.00 26.76 O HETATM 2445 O HOH 172 30.937 -6.718 50.276 1.00 44.84 O HETATM 2446 O HOH 173 40.888 -3.133 25.219 1.00 42.67 O HETATM 2447 O HOH 174 56.301 -28.148 49.788 1.00 35.57 O HETATM 2448 O HOH 175 43.216 -34.097 49.667 1.00 42.63 O HETATM 2449 O HOH 176 48.227 -9.295 23.880 1.00 47.32 O HETATM 2450 O HOH 177 30.400 -0.599 36.131 1.00 48.58 O HETATM 2451 O HOH 178 31.808 -11.526 51.144 1.00 40.44 O HETATM 2452 O HOH 179 34.305 -24.908 23.870 1.00 15.29 O HETATM 2453 O HOH 180 38.951 -3.210 39.959 1.00 53.05 O HETATM 2454 O HOH 181 28.072 -10.275 52.301 1.00 49.59 O HETATM 2455 O HOH 182 37.434 -16.588 16.696 1.00 39.61 O HETATM 2456 O HOH 183 35.364 -30.299 57.200 1.00 47.54 O HETATM 2457 O HOH 184 52.492 -10.915 42.955 1.00 43.14 O HETATM 2458 O HOH 185 60.407 -26.441 48.345 1.00 36.06 O HETATM 2459 O HOH 186 20.742 -3.666 46.195 1.00 55.74 O HETATM 2460 O HOH 187 49.521 -9.973 47.618 1.00 49.67 O HETATM 2461 O HOH 188 45.506 -32.059 50.995 1.00 22.83 O HETATM 2462 O HOH 189 49.608 -31.516 50.562 1.00 36.68 O HETATM 2463 O HOH 190 28.942 -4.480 17.196 1.00 33.11 O HETATM 2464 O HOH 191 35.309 -34.902 55.016 1.00 34.21 O HETATM 2465 O HOH 192 52.619 -23.930 37.056 1.00 44.40 O HETATM 2466 O HOH 193 35.298 -17.240 20.242 1.00 35.34 O HETATM 2467 O HOH 194 58.471 -28.425 48.311 1.00 36.13 O HETATM 2468 O HOH 195 20.298 -13.803 38.169 1.00 36.22 O HETATM 2469 O HOH 196 42.058 -27.795 27.453 1.00 39.04 O HETATM 2470 O HOH 197 38.614 -4.096 18.650 1.00 34.67 O HETATM 2471 O HOH 198 15.679 -20.236 29.009 1.00 56.07 O HETATM 2472 O HOH 199 16.192 -28.046 35.337 1.00 29.20 O HETATM 2473 O HOH 200 33.444 -28.932 58.791 1.00 51.56 O HETATM 2474 O HOH 201 55.814 -31.572 50.701 1.00 50.00 O HETATM 2475 O HOH 202 44.643 -2.807 31.148 1.00 45.11 O HETATM 2476 O HOH 203 28.612 -6.884 14.456 1.00 50.24 O HETATM 2477 O HOH 204 45.987 -5.190 34.642 1.00 42.70 O HETATM 2478 O HOH 205 39.323 -35.121 24.152 1.00 47.88 O HETATM 2479 O HOH 206 51.646 -17.889 38.880 1.00 43.28 O HETATM 2480 O HOH 207 19.714 -12.436 35.777 1.00 59.15 O HETATM 2481 O HOH 208 43.936 -30.238 30.582 1.00 40.52 O HETATM 2482 O HOH 209 42.916 -7.170 22.277 1.00 58.07 O HETATM 2483 O HOH 210 36.829 -23.010 25.282 1.00 39.40 O HETATM 2484 O HOH 211 25.087 -22.048 50.982 1.00 42.71 O HETATM 2485 O HOH 212 35.715 -0.250 39.941 1.00 44.91 O HETATM 2486 O HOH 213 17.740 -10.132 19.593 1.00 42.14 O HETATM 2487 O HOH 214 38.607 -41.059 41.289 1.00 57.43 O HETATM 2488 O HOH 215 42.686 -34.484 19.377 1.00 50.65 O HETATM 2489 O HOH 216 25.206 -1.556 35.212 1.00 47.76 O HETATM 2490 O HOH 217 24.871 -28.692 20.509 1.00 44.94 O HETATM 2491 O HOH 218 51.018 -20.161 37.605 1.00 55.75 O HETATM 2492 O HOH 219 39.350 -0.088 20.752 1.00 60.38 O HETATM 2493 O HOH 220 25.786 -28.517 50.112 1.00 51.05 O HETATM 2494 O HOH 221 22.595 -21.091 47.354 1.00 25.30 O HETATM 2495 C13 NRJ A 222 45.584 -20.618 29.939 1.00 -0.08 C HETATM 2496 C12 NRJ A 222 44.400 -21.361 29.936 1.00 -0.02 C HETATM 2497 C17 NRJ A 222 44.277 -22.443 30.839 1.00 0.06 C HETATM 2498 C16 NRJ A 222 45.315 -22.722 31.725 1.00 -0.02 C HETATM 2499 C15 NRJ A 222 46.483 -21.962 31.727 1.00 0.05 C HETATM 2500 C14 NRJ A 222 46.625 -20.930 30.798 1.00 -0.06 C HETATM 2501 H17 NRJ A 222 47.553 -20.371 30.749 1.00 0.04 H HETATM 2502 N18 NRJ A 222 47.460 -22.333 32.691 1.00 -0.21 N HETATM 2503 C19 NRJ A 222 48.771 -21.968 32.732 1.00 0.35 C HETATM 2504 O20 NRJ A 222 49.349 -22.491 33.826 1.00 -0.26 O HETATM 2505 C22 NRJ A 222 50.743 -22.140 34.044 1.00 0.07 C HETATM 2506 H3 NRJ A 222 51.103 -22.624 34.964 1.00 0.06 H HETATM 2507 H4 NRJ A 222 50.835 -21.048 34.144 1.00 0.06 H HETATM 2508 H5 NRJ A 222 51.345 -22.482 33.189 1.00 0.06 H HETATM 2509 O21 NRJ A 222 49.357 -21.307 31.900 1.00 -0.37 O HETATM 2510 H18 NRJ A 222 47.147 -22.934 33.427 1.00 0.23 H HETATM 2511 H2 NRJ A 222 45.212 -23.544 32.424 1.00 0.04 H HETATM 2512 N23 NRJ A 222 43.109 -23.255 30.853 1.00 -0.24 N HETATM 2513 C24 NRJ A 222 42.700 -24.057 29.845 1.00 0.21 C HETATM 2514 C27 NRJ A 222 41.515 -24.940 30.171 1.00 0.05 C HETATM 2515 C26 NRJ A 222 40.457 -24.926 29.059 1.00 -0.02 C HETATM 2516 C7 NRJ A 222 39.885 -23.585 28.815 1.00 -0.10 C HETATM 2517 C6 NRJ A 222 39.808 -22.972 27.649 1.00 -0.09 C HETATM 2518 C5 NRJ A 222 39.286 -21.587 27.405 1.00 0.00 C HETATM 2519 C3 NRJ A 222 39.817 -20.540 28.407 1.00 0.13 C HETATM 2520 N2 NRJ A 222 39.222 -19.216 28.197 1.00 -0.23 N HETATM 2521 C28 NRJ A 222 38.974 -18.805 26.803 1.00 0.04 C HETATM 2522 C29 NRJ A 222 38.486 -17.357 26.750 1.00 0.01 C HETATM 2523 C30 NRJ A 222 37.559 -17.092 27.918 1.00 0.12 C HETATM 2524 O31 NRJ A 222 38.348 -17.288 29.136 1.00 -0.25 O HETATM 2525 C38 NRJ A 222 39.074 -18.415 29.272 1.00 0.33 C HETATM 2526 O39 NRJ A 222 39.598 -18.627 30.342 1.00 -0.38 O HETATM 2527 C32 NRJ A 222 36.871 -15.748 27.992 1.00 -0.01 C HETATM 2528 C33 NRJ A 222 37.417 -14.621 27.387 1.00 -0.06 C HETATM 2529 C34 NRJ A 222 36.782 -13.392 27.484 1.00 -0.07 C HETATM 2530 C35 NRJ A 222 35.583 -13.270 28.167 1.00 -0.05 C HETATM 2531 C36 NRJ A 222 35.051 -14.388 28.779 1.00 0.03 C HETATM 2532 CL1 NRJ A 222 33.566 -14.236 29.694 1.00 -0.07 CL HETATM 2533 C37 NRJ A 222 35.674 -15.622 28.701 1.00 -0.04 C HETATM 2534 H28 NRJ A 222 35.235 -16.486 29.188 1.00 0.06 H HETATM 2535 H27 NRJ A 222 35.072 -12.315 28.220 1.00 0.06 H HETATM 2536 H6 NRJ A 222 37.228 -12.519 27.021 1.00 0.06 H HETATM 2537 H9 NRJ A 222 38.346 -14.704 26.835 1.00 0.06 H HETATM 2538 H26 NRJ A 222 36.765 -17.852 27.880 1.00 0.08 H HETATM 2539 H24 NRJ A 222 37.945 -17.187 25.807 1.00 0.03 H HETATM 2540 H25 NRJ A 222 39.349 -16.677 26.806 1.00 0.03 H HETATM 2541 H22 NRJ A 222 38.209 -19.461 26.363 1.00 0.05 H HETATM 2542 H23 NRJ A 222 39.908 -18.893 26.228 1.00 0.05 H HETATM 2543 C4 NRJ A 222 41.313 -20.557 28.415 1.00 0.14 C HETATM 2544 N8 NRJ A 222 42.069 -20.429 27.308 1.00 -0.26 N HETATM 2545 C9 NRJ A 222 43.352 -20.697 27.661 1.00 0.03 C HETATM 2546 C10 NRJ A 222 43.333 -20.975 28.998 1.00 -0.00 C HETATM 2547 N11 NRJ A 222 42.043 -20.875 29.466 1.00 -0.33 N HETATM 2548 H16 NRJ A 222 44.223 -20.691 27.008 1.00 0.08 H HETATM 2549 H15 NRJ A 222 41.735 -20.175 26.367 1.00 0.24 H HETATM 2550 H10 NRJ A 222 39.495 -20.862 29.408 1.00 0.08 H HETATM 2551 H11 NRJ A 222 39.580 -21.278 26.391 1.00 0.04 H HETATM 2552 H12 NRJ A 222 38.189 -21.612 27.477 1.00 0.04 H HETATM 2553 H13 NRJ A 222 40.158 -23.526 26.779 1.00 0.05 H HETATM 2554 H14 NRJ A 222 39.490 -23.053 29.679 1.00 0.05 H HETATM 2555 H20 NRJ A 222 39.642 -25.607 29.344 1.00 0.04 H HETATM 2556 H21 NRJ A 222 40.923 -25.282 28.128 1.00 0.04 H HETATM 2557 H7 NRJ A 222 41.053 -24.583 31.103 1.00 0.05 H HETATM 2558 H8 NRJ A 222 41.870 -25.972 30.309 1.00 0.05 H HETATM 2559 O25 NRJ A 222 43.231 -24.067 28.736 1.00 -0.38 O HETATM 2560 H19 NRJ A 222 42.544 -23.230 31.677 1.00 0.23 H HETATM 2561 H1 NRJ A 222 45.690 -19.782 29.257 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 277 276 414 CONECT 414 277 413 CONECT 1183 1182 1835 CONECT 1497 1496 1666 CONECT 1666 1497 1665 CONECT 1759 1758 2006 CONECT 1835 1183 1834 CONECT 2006 1759 2005 CONECT 2495 2496 2500 2561 CONECT 2496 2495 2497 2546 CONECT 2497 2496 2498 2512 CONECT 2498 2497 2499 2511 CONECT 2499 2498 2500 2502 CONECT 2500 2495 2499 2501 CONECT 2501 2500 CONECT 2502 2499 2503 2510 CONECT 2503 2502 2504 2509 CONECT 2504 2503 2505 CONECT 2505 2504 2506 2507 2508 CONECT 2506 2505 CONECT 2507 2505 CONECT 2508 2505 CONECT 2509 2503 CONECT 2510 2502 CONECT 2511 2498 CONECT 2512 2497 2513 2560 CONECT 2513 2512 2514 2559 CONECT 2514 2513 2515 2557 2558 CONECT 2515 2514 2516 2555 2556 CONECT 2516 2515 2517 2554 CONECT 2517 2516 2518 2553 CONECT 2518 2517 2519 2551 2552 CONECT 2519 2518 2520 2543 2550 CONECT 2520 2519 2521 2525 CONECT 2521 2520 2522 2541 2542 CONECT 2522 2521 2523 2539 2540 CONECT 2523 2522 2524 2527 2538 CONECT 2524 2523 2525 CONECT 2525 2520 2524 2526 CONECT 2526 2525 CONECT 2527 2523 2528 2533 CONECT 2528 2527 2529 2537 CONECT 2529 2528 2530 2536 CONECT 2530 2529 2531 2535 CONECT 2531 2530 2532 2533 CONECT 2532 2531 CONECT 2533 2527 2531 2534 CONECT 2534 2533 CONECT 2535 2530 CONECT 2536 2529 CONECT 2537 2528 CONECT 2538 2523 CONECT 2539 2522 CONECT 2540 2522 CONECT 2541 2521 CONECT 2542 2521 CONECT 2543 2519 2544 2547 CONECT 2544 2543 2545 2549 CONECT 2545 2544 2546 2548 CONECT 2546 2496 2545 2547 CONECT 2547 2543 2546 CONECT 2548 2545 CONECT 2549 2544 CONECT 2550 2519 CONECT 2551 2518 CONECT 2552 2518 CONECT 2553 2517 CONECT 2554 2516 CONECT 2555 2515 CONECT 2556 2515 CONECT 2557 2514 CONECT 2558 2514 CONECT 2559 2513 CONECT 2560 2512 CONECT 2561 2495 MASTER 0 0 0 0 0 0 0 0 2560 1 79 19 END
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Structure:
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Related entries of code: 5qqo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4ty6
RCSB PDB
PDBbind
18aa, >4TY6_2|Chain... *
4x6n
RCSB PDB
PDBbind
18aa, >4X6N_2|Chain... at 100%
5q0f
RCSB PDB
PDBbind
18aa, >5Q0F_2|Chain... at 100%
5qtu
RCSB PDB
PDBbind
18aa, >5QTU_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5qqo
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Coagulation factor XI
Ligand Name
NRJ
EC.Number
E.C.3.4.21.27
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=17nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Bioorg.Med.Chem.Lett. Vol. 29: pp. 126604-126604
Ligand Properties
Formula
C
2
8
H
2
8
ClN
5
O
5
Molecular Weight
550.005
Exact Mass
549.178
No. of atoms
67
No. of bonds
71
Polar Surface Area
125.65
LOGP Value
3.63 (
Computed with XLOGP3
)
6.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
Canonical SMILES
COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@@H](c1nc2c[nH]1)N1CC[C@@H](OC1=O)c1cccc(c1)Cl
InChI String
InChI=1S/C28H28ClN5O5/c1-38-27(36)31-19-10-11-20-21(15-19)32-25(35)9-4-2-3-8-23(26-30-16-22(20)33-26)34-13-12-24(39-28(34)37)17-6-5-7-18(29)14-17/h2-3,5-7,10-11,14-16,23-24H,4,8-9,12-13H2,1H3,(H,30,33)(H,31,36)(H,32,35)/b3-2+/t23-,24+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P03951
Entrez Gene ID
NCBI Entrez Gene ID:
2160
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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