Browse entries in the PDBbind-CN Database
HEADER 6D1B_COMPLEX COMPND 6D1B_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 229 GLY ASP GLN ARG PHE GLY ASP LEU VAL PHE ARG GLN LEU SEQRES 2 A 229 ALA PRO ASN VAL TRP GLN HIS THR SER TYR LEU ASP MET SEQRES 3 A 229 PRO GLY PHE GLY ALA VAL ALA SER ASN GLY LEU ILE VAL SEQRES 4 A 229 ARG ASP GLY GLY ARG VAL LEU VAL VAL ASP THR ALA TRP SEQRES 5 A 229 THR ASP ASP GLN THR ALA GLN ILE LEU ASN TRP ILE LYS SEQRES 6 A 229 GLN GLU ILE ASN LEU PRO VAL ALA LEU ALA VAL VAL THR SEQRES 7 A 229 HIS ALA HIS GLN ASP LYS MET GLY GLY MET ASP ALA LEU SEQRES 8 A 229 HIS ALA ALA GLY ILE ALA THR TYR ALA ASN ALA LEU SER SEQRES 9 A 229 ASN GLN LEU ALA PRO GLN GLU GLY MET VAL ALA ALA GLN SEQRES 10 A 229 HIS SER LEU THR PHE ALA ALA ASN GLY TRP VAL GLU PRO SEQRES 11 A 229 ALA THR ALA PRO ASN PHE GLY PRO LEU LYS VAL PHE TYR SEQRES 12 A 229 PRO GLY PRO GLY HIS THR SER ASP ASN ILE THR VAL GLY SEQRES 13 A 229 ILE ASP GLY THR ASP ILE ALA PHE GLY GLY CYS LEU ILE SEQRES 14 A 229 LYS ASP SER LYS ALA LYS SER LEU GLY ASN LEU GLY ASP SEQRES 15 A 229 ALA ASP THR GLU HIS TYR ALA ALA SER ALA ARG ALA PHE SEQRES 16 A 229 GLY ALA ALA PHE PRO LYS ALA SER MET ILE VAL MET SER SEQRES 17 A 229 HIS SER ALA PRO ASP SER ARG ALA ALA ILE THR HIS THR SEQRES 18 A 229 ALA ARG MET ALA ASP LYS LEU ARG HET ZN A 1 1 HET ZN A 2 1 HET FUJ A 490 27 ATOM 1 N GLY A 42 45.508 2.655 71.351 1.00 39.10 N ATOM 2 CA GLY A 42 45.389 2.018 70.051 1.00 37.88 C ATOM 3 C GLY A 42 46.505 2.346 69.072 1.00 36.05 C ATOM 4 O GLY A 42 47.101 1.452 68.468 1.00 37.50 O ATOM 5 HN3 GLY A 42 45.507 3.688 71.231 1.00 0.00 H ATOM 6 HN2 GLY A 42 46.397 2.358 71.801 1.00 0.00 H ATOM 7 HN1 GLY A 42 44.705 2.373 71.949 1.00 0.00 H ATOM 8 N ASP A 43 46.786 3.633 68.899 1.00 32.13 N ATOM 9 CA ASP A 43 47.826 4.086 67.982 1.00 28.52 C ATOM 10 C ASP A 43 49.155 4.168 68.726 1.00 26.01 C ATOM 11 O ASP A 43 49.297 4.959 69.666 1.00 29.58 O ATOM 12 CB ASP A 43 47.464 5.455 67.409 1.00 29.94 C ATOM 13 CG ASP A 43 46.376 5.382 66.356 1.00 32.17 C ATOM 14 OD1 ASP A 43 46.237 4.325 65.716 1.00 31.88 O ATOM 15 OD2 ASP A 43 45.647 6.380 66.179 1.00 35.24 O ATOM 16 H ASP A 43 46.246 4.342 69.436 1.00 0.00 H ATOM 17 N GLN A 44 50.129 3.369 68.301 1.00 23.17 N ATOM 18 CA GLN A 44 51.453 3.356 68.908 1.00 21.08 C ATOM 19 C GLN A 44 52.383 4.262 68.111 1.00 18.31 C ATOM 20 O GLN A 44 52.665 3.994 66.940 1.00 17.70 O ATOM 21 CB GLN A 44 52.018 1.937 68.959 1.00 22.07 C ATOM 22 CG GLN A 44 53.435 1.873 69.497 1.00 23.25 C ATOM 23 CD GLN A 44 54.115 0.543 69.225 1.00 22.98 C ATOM 24 OE1 GLN A 44 53.500 -0.395 68.714 1.00 22.59 O ATOM 25 NE2 GLN A 44 55.397 0.459 69.559 1.00 23.39 N ATOM 26 HE22 GLN A 44 55.877 1.276 69.988 1.00 0.00 H ATOM 27 HE21 GLN A 44 55.921 -0.423 69.391 1.00 0.00 H ATOM 28 H GLN A 44 49.938 2.728 67.504 1.00 0.00 H ATOM 29 N ARG A 45 52.856 5.330 68.747 1.00 16.65 N ATOM 30 CA ARG A 45 53.788 6.248 68.114 1.00 16.04 C ATOM 31 C ARG A 45 55.196 5.686 68.264 1.00 15.73 C ATOM 32 O ARG A 45 55.621 5.326 69.365 1.00 18.51 O ATOM 33 CB ARG A 45 53.680 7.628 68.763 1.00 16.59 C ATOM 34 CG ARG A 45 52.263 8.208 68.744 1.00 17.13 C ATOM 35 CD ARG A 45 52.243 9.651 69.249 1.00 17.60 C ATOM 36 NE ARG A 45 52.672 9.756 70.641 1.00 17.46 N ATOM 37 CZ ARG A 45 51.858 9.649 71.683 1.00 17.52 C ATOM 38 NH1 ARG A 45 52.347 9.771 72.908 1.00 16.90 N ATOM 39 NH2 ARG A 45 50.555 9.444 71.502 1.00 18.92 N ATOM 40 HE ARG A 45 53.681 9.926 70.827 1.00 0.00 H ATOM 41 HH12 ARG A 45 51.716 9.688 73.730 1.00 0.00 H ATOM 42 HH11 ARG A 45 53.362 9.949 73.047 1.00 0.00 H ATOM 43 HH22 ARG A 45 49.923 9.361 72.323 1.00 0.00 H ATOM 44 HH21 ARG A 45 50.170 9.367 70.539 1.00 0.00 H ATOM 45 H ARG A 45 52.551 5.513 69.724 1.00 0.00 H ATOM 46 N PHE A 46 55.905 5.577 67.156 1.00 14.93 N ATOM 47 CA PHE A 46 57.240 4.984 67.167 1.00 14.71 C ATOM 48 C PHE A 46 58.058 5.907 66.281 1.00 16.17 C ATOM 49 O PHE A 46 57.908 5.882 65.057 1.00 15.79 O ATOM 50 CB PHE A 46 57.197 3.561 66.622 1.00 14.20 C ATOM 51 CG PHE A 46 58.528 2.856 66.635 1.00 15.01 C ATOM 52 CD1 PHE A 46 58.967 2.185 67.769 1.00 17.32 C ATOM 53 CD2 PHE A 46 59.318 2.828 65.491 1.00 15.09 C ATOM 54 CE1 PHE A 46 60.180 1.518 67.764 1.00 17.41 C ATOM 55 CE2 PHE A 46 60.535 2.170 65.483 1.00 15.25 C ATOM 56 CZ PHE A 46 60.963 1.513 66.619 1.00 16.31 C ATOM 57 H PHE A 46 55.506 5.920 66.259 1.00 0.00 H ATOM 58 N GLY A 47 58.888 6.735 66.908 1.00 18.94 N ATOM 59 CA GLY A 47 59.487 7.849 66.199 1.00 19.99 C ATOM 60 C GLY A 47 58.408 8.689 65.556 1.00 18.64 C ATOM 61 O GLY A 47 57.428 9.097 66.195 1.00 19.89 O ATOM 62 H GLY A 47 59.109 6.583 67.913 1.00 0.00 H ATOM 63 N ASP A 48 58.564 8.911 64.259 1.00 15.30 N ATOM 64 CA ASP A 48 57.663 9.748 63.486 1.00 14.49 C ATOM 65 C ASP A 48 56.574 8.945 62.776 1.00 13.11 C ATOM 66 O ASP A 48 55.846 9.503 61.950 1.00 13.85 O ATOM 67 CB ASP A 48 58.466 10.567 62.475 1.00 16.39 C ATOM 68 CG ASP A 48 57.826 11.892 62.171 1.00 17.95 C ATOM 69 OD1 ASP A 48 57.368 12.553 63.130 1.00 19.30 O ATOM 70 OD2 ASP A 48 57.783 12.273 60.981 1.00 19.01 O ATOM 71 H ASP A 48 59.368 8.466 63.772 1.00 0.00 H ATOM 72 N LEU A 49 56.447 7.657 63.079 1.00 12.74 N ATOM 73 CA LEU A 49 55.474 6.771 62.458 1.00 13.45 C ATOM 74 C LEU A 49 54.435 6.346 63.493 1.00 12.34 C ATOM 75 O LEU A 49 54.625 6.506 64.702 1.00 12.87 O ATOM 76 CB LEU A 49 56.165 5.542 61.842 1.00 15.17 C ATOM 77 CG LEU A 49 56.890 5.801 60.500 1.00 17.94 C ATOM 78 CD1 LEU A 49 58.260 6.453 60.695 1.00 20.19 C ATOM 79 CD2 LEU A 49 57.012 4.509 59.697 1.00 19.19 C ATOM 80 H LEU A 49 57.080 7.259 63.802 1.00 0.00 H ATOM 81 N VAL A 50 53.314 5.813 63.007 1.00 12.27 N ATOM 82 CA VAL A 50 52.234 5.333 63.858 1.00 12.31 C ATOM 83 C VAL A 50 51.871 3.920 63.422 1.00 11.58 C ATOM 84 O VAL A 50 51.771 3.635 62.222 1.00 12.36 O ATOM 85 CB VAL A 50 51.007 6.267 63.797 1.00 13.42 C ATOM 86 CG1 VAL A 50 49.852 5.704 64.617 1.00 14.31 C ATOM 87 CG2 VAL A 50 51.376 7.669 64.283 1.00 14.12 C ATOM 88 H VAL A 50 53.206 5.737 61.975 1.00 0.00 H ATOM 89 N PHE A 51 51.689 3.036 64.402 1.00 12.29 N ATOM 90 CA PHE A 51 51.326 1.648 64.158 1.00 12.97 C ATOM 91 C PHE A 51 50.041 1.329 64.904 1.00 13.76 C ATOM 92 O PHE A 51 49.892 1.703 66.065 1.00 15.15 O ATOM 93 CB PHE A 51 52.452 0.715 64.616 1.00 13.68 C ATOM 94 CG PHE A 51 53.720 0.921 63.858 1.00 13.46 C ATOM 95 CD1 PHE A 51 54.617 1.912 64.235 1.00 15.07 C ATOM 96 CD2 PHE A 51 53.990 0.172 62.722 1.00 13.81 C ATOM 97 CE1 PHE A 51 55.783 2.125 63.522 1.00 16.03 C ATOM 98 CE2 PHE A 51 55.158 0.381 62.009 1.00 14.98 C ATOM 99 CZ PHE A 51 56.048 1.359 62.402 1.00 15.59 C ATOM 100 H PHE A 51 51.812 3.352 65.385 1.00 0.00 H ATOM 101 N ARG A 52 49.119 0.638 64.241 1.00 14.14 N ATOM 102 CA ARG A 52 47.830 0.302 64.839 1.00 14.76 C ATOM 103 C ARG A 52 47.523 -1.156 64.551 1.00 14.15 C ATOM 104 O ARG A 52 47.494 -1.565 63.384 1.00 14.74 O ATOM 105 CB ARG A 52 46.706 1.180 64.284 1.00 16.57 C ATOM 106 CG ARG A 52 45.328 0.812 64.847 1.00 18.42 C ATOM 107 CD ARG A 52 44.197 1.554 64.153 1.00 19.60 C ATOM 108 NE ARG A 52 44.189 2.972 64.491 1.00 20.58 N ATOM 109 CZ ARG A 52 43.193 3.809 64.208 1.00 21.48 C ATOM 110 NH1 ARG A 52 42.111 3.377 63.570 1.00 21.92 N ATOM 111 NH2 ARG A 52 43.282 5.084 64.563 1.00 23.11 N ATOM 112 HE ARG A 52 45.018 3.356 64.987 1.00 0.00 H ATOM 113 HH12 ARG A 52 41.337 4.037 63.353 1.00 0.00 H ATOM 114 HH11 ARG A 52 42.038 2.379 63.288 1.00 0.00 H ATOM 115 HH22 ARG A 52 42.506 5.740 64.343 1.00 0.00 H ATOM 116 HH21 ARG A 52 44.128 5.427 65.061 1.00 0.00 H ATOM 117 H ARG A 52 49.321 0.328 63.269 1.00 0.00 H ATOM 118 N GLN A 53 47.278 -1.936 65.603 1.00 15.05 N ATOM 119 CA GLN A 53 46.904 -3.330 65.413 1.00 14.93 C ATOM 120 C GLN A 53 45.476 -3.417 64.894 1.00 15.79 C ATOM 121 O GLN A 53 44.563 -2.809 65.460 1.00 17.55 O ATOM 122 CB GLN A 53 47.055 -4.116 66.715 1.00 16.71 C ATOM 123 CG GLN A 53 46.851 -5.612 66.523 1.00 19.12 C ATOM 124 CD GLN A 53 47.447 -6.436 67.637 1.00 21.60 C ATOM 125 OE1 GLN A 53 47.569 -5.972 68.767 1.00 23.99 O ATOM 126 NE2 GLN A 53 47.822 -7.669 67.326 1.00 21.54 N ATOM 127 HE22 GLN A 53 47.700 -8.020 66.355 1.00 0.00 H ATOM 128 HE21 GLN A 53 48.239 -8.285 68.053 1.00 0.00 H ATOM 129 H GLN A 53 47.354 -1.547 66.565 1.00 0.00 H ATOM 130 N LEU A 54 45.281 -4.178 63.812 1.00 14.73 N ATOM 131 CA LEU A 54 43.961 -4.371 63.229 1.00 15.33 C ATOM 132 C LEU A 54 43.383 -5.754 63.479 1.00 16.02 C ATOM 133 O LEU A 54 42.161 -5.915 63.433 1.00 17.99 O ATOM 134 CB LEU A 54 44.006 -4.139 61.710 1.00 15.81 C ATOM 135 CG LEU A 54 44.611 -2.817 61.227 1.00 15.95 C ATOM 136 CD1 LEU A 54 44.595 -2.765 59.712 1.00 16.35 C ATOM 137 CD2 LEU A 54 43.858 -1.632 61.817 1.00 17.52 C ATOM 138 H LEU A 54 46.099 -4.647 63.373 1.00 0.00 H ATOM 139 N ALA A 55 44.230 -6.739 63.739 1.00 15.30 N ATOM 140 CA ALA A 55 43.840 -8.125 63.946 1.00 16.12 C ATOM 141 C ALA A 55 44.990 -8.801 64.676 1.00 16.02 C ATOM 142 O ALA A 55 46.072 -8.218 64.797 1.00 15.72 O ATOM 143 CB ALA A 55 43.561 -8.816 62.601 1.00 16.42 C ATOM 144 H ALA A 55 45.242 -6.506 63.799 1.00 0.00 H ATOM 145 N PRO A 56 44.789 -10.022 65.190 1.00 16.92 N ATOM 146 CA PRO A 56 45.877 -10.675 65.944 1.00 18.49 C ATOM 147 C PRO A 56 47.215 -10.732 65.224 1.00 17.19 C ATOM 148 O PRO A 56 48.262 -10.651 65.877 1.00 19.54 O ATOM 149 CB PRO A 56 45.314 -12.072 66.220 1.00 19.12 C ATOM 150 CG PRO A 56 43.838 -11.830 66.362 1.00 19.85 C ATOM 151 CD PRO A 56 43.520 -10.764 65.330 1.00 18.76 C ATOM 152 N ASN A 57 47.217 -10.839 63.897 1.00 14.65 N ATOM 153 CA ASN A 57 48.457 -10.954 63.133 1.00 13.97 C ATOM 154 C ASN A 57 48.646 -9.807 62.141 1.00 12.60 C ATOM 155 O ASN A 57 49.452 -9.939 61.214 1.00 12.30 O ATOM 156 CB ASN A 57 48.509 -12.284 62.370 1.00 15.68 C ATOM 157 CG ASN A 57 48.717 -13.505 63.274 1.00 19.71 C ATOM 158 OD1 ASN A 57 48.391 -13.490 64.450 1.00 21.77 O ATOM 159 ND2 ASN A 57 49.296 -14.565 62.710 1.00 21.45 N ATOM 160 HD22 ASN A 57 49.560 -14.540 61.704 1.00 0.00 H ATOM 161 HD21 ASN A 57 49.484 -15.417 63.276 1.00 0.00 H ATOM 162 H ASN A 57 46.309 -10.841 63.389 1.00 0.00 H ATOM 163 N VAL A 58 47.907 -8.705 62.280 1.00 12.34 N ATOM 164 CA VAL A 58 47.907 -7.646 61.268 1.00 11.82 C ATOM 165 C VAL A 58 48.010 -6.285 61.939 1.00 11.89 C ATOM 166 O VAL A 58 47.260 -5.991 62.873 1.00 12.29 O ATOM 167 CB VAL A 58 46.652 -7.679 60.373 1.00 12.39 C ATOM 168 CG1 VAL A 58 46.750 -6.610 59.283 1.00 12.96 C ATOM 169 CG2 VAL A 58 46.466 -9.057 59.756 1.00 12.71 C ATOM 170 H VAL A 58 47.316 -8.595 63.129 1.00 0.00 H ATOM 171 N TRP A 59 48.916 -5.442 61.435 1.00 11.44 N ATOM 172 CA TRP A 59 49.079 -4.069 61.887 1.00 11.39 C ATOM 173 C TRP A 59 49.097 -3.137 60.683 1.00 10.62 C ATOM 174 O TRP A 59 49.551 -3.508 59.597 1.00 12.06 O ATOM 175 CB TRP A 59 50.395 -3.866 62.652 1.00 11.43 C ATOM 176 CG TRP A 59 50.525 -4.695 63.892 1.00 12.73 C ATOM 177 CD1 TRP A 59 50.350 -4.277 65.181 1.00 14.08 C ATOM 178 CD2 TRP A 59 50.866 -6.084 63.964 1.00 13.65 C ATOM 179 NE1 TRP A 59 50.547 -5.323 66.050 1.00 15.25 N ATOM 180 CE2 TRP A 59 50.878 -6.441 65.329 1.00 14.42 C ATOM 181 CE3 TRP A 59 51.178 -7.060 63.008 1.00 14.77 C ATOM 182 CZ2 TRP A 59 51.174 -7.731 65.761 1.00 15.86 C ATOM 183 CZ3 TRP A 59 51.477 -8.337 63.440 1.00 16.20 C ATOM 184 CH2 TRP A 59 51.473 -8.661 64.804 1.00 16.78 C ATOM 185 HE1 TRP A 59 50.459 -5.274 67.085 1.00 0.00 H ATOM 186 H TRP A 59 49.539 -5.787 60.677 1.00 0.00 H ATOM 187 N GLN A 60 48.599 -1.917 60.887 1.00 10.72 N ATOM 188 CA GLN A 60 48.704 -0.846 59.906 1.00 10.87 C ATOM 189 C GLN A 60 49.897 0.038 60.261 1.00 10.81 C ATOM 190 O GLN A 60 50.035 0.454 61.417 1.00 11.70 O ATOM 191 CB GLN A 60 47.424 -0.008 59.931 1.00 11.67 C ATOM 192 CG GLN A 60 47.394 1.129 58.910 1.00 11.38 C ATOM 193 CD GLN A 60 46.108 1.927 58.992 1.00 13.15 C ATOM 194 OE1 GLN A 60 45.224 1.797 58.139 1.00 14.74 O ATOM 195 NE2 GLN A 60 45.981 2.740 60.043 1.00 13.70 N ATOM 196 HE22 GLN A 60 46.752 2.818 60.737 1.00 0.00 H ATOM 197 HE21 GLN A 60 45.111 3.296 60.168 1.00 0.00 H ATOM 198 H GLN A 60 48.114 -1.722 61.786 1.00 0.00 H ATOM 199 N HIS A 61 50.760 0.309 59.278 1.00 9.93 N ATOM 200 CA HIS A 61 51.842 1.268 59.451 1.00 9.35 C ATOM 201 C HIS A 61 51.448 2.579 58.793 1.00 9.75 C ATOM 202 O HIS A 61 50.829 2.581 57.726 1.00 10.68 O ATOM 203 CB HIS A 61 53.202 0.740 58.939 1.00 8.75 C ATOM 204 CG HIS A 61 53.317 0.491 57.455 1.00 8.23 C ATOM 205 ND1 HIS A 61 53.533 1.499 56.539 1.00 9.00 N ATOM 206 CD2 HIS A 61 53.384 -0.671 56.751 1.00 8.30 C ATOM 207 CE1 HIS A 61 53.682 0.975 55.333 1.00 8.83 C ATOM 208 NE2 HIS A 61 53.602 -0.343 55.432 1.00 9.08 N ATOM 209 H HIS A 61 50.656 -0.178 58.365 1.00 0.00 H ATOM 210 N THR A 62 51.791 3.694 59.444 1.00 10.14 N ATOM 211 CA THR A 62 51.460 5.022 58.933 1.00 10.14 C ATOM 212 C THR A 62 52.688 5.916 58.988 1.00 10.56 C ATOM 213 O THR A 62 53.339 6.024 60.035 1.00 11.61 O ATOM 214 CB THR A 62 50.316 5.659 59.738 1.00 11.79 C ATOM 215 OG1 THR A 62 49.178 4.791 59.713 1.00 11.38 O ATOM 216 CG2 THR A 62 49.926 7.010 59.154 1.00 11.77 C ATOM 217 HG1 THR A 62 48.889 4.655 58.776 1.00 0.00 H ATOM 218 H THR A 62 52.309 3.614 60.342 1.00 0.00 H ATOM 219 N SER A 63 52.983 6.571 57.864 1.00 10.65 N ATOM 220 CA SER A 63 54.081 7.522 57.759 1.00 11.90 C ATOM 221 C SER A 63 53.567 8.813 57.131 1.00 11.45 C ATOM 222 O SER A 63 52.499 8.836 56.515 1.00 11.55 O ATOM 223 CB SER A 63 55.242 6.931 56.946 1.00 12.23 C ATOM 224 OG SER A 63 54.836 6.598 55.626 1.00 10.86 O ATOM 225 HG SER A 63 54.107 5.929 55.665 1.00 0.00 H ATOM 226 H SER A 63 52.400 6.394 57.021 1.00 0.00 H ATOM 227 N TYR A 64 54.341 9.897 57.286 1.00 11.99 N ATOM 228 CA TYR A 64 53.883 11.238 56.938 1.00 12.55 C ATOM 229 C TYR A 64 54.916 11.954 56.088 1.00 13.64 C ATOM 230 O TYR A 64 56.117 11.853 56.343 1.00 14.30 O ATOM 231 CB TYR A 64 53.636 12.084 58.203 1.00 13.24 C ATOM 232 CG TYR A 64 52.674 11.414 59.140 1.00 12.20 C ATOM 233 CD1 TYR A 64 53.122 10.487 60.070 1.00 12.22 C ATOM 234 CD2 TYR A 64 51.312 11.658 59.057 1.00 12.92 C ATOM 235 CE1 TYR A 64 52.241 9.836 60.908 1.00 12.55 C ATOM 236 CE2 TYR A 64 50.421 11.012 59.887 1.00 13.57 C ATOM 237 CZ TYR A 64 50.893 10.101 60.814 1.00 13.84 C ATOM 238 OH TYR A 64 50.023 9.446 61.652 1.00 16.13 O ATOM 239 HH TYR A 64 50.532 8.837 62.244 1.00 0.00 H ATOM 240 H TYR A 64 55.301 9.778 57.668 1.00 0.00 H ATOM 241 N LEU A 65 54.440 12.692 55.089 1.00 14.33 N ATOM 242 CA LEU A 65 55.310 13.520 54.269 1.00 16.85 C ATOM 243 C LEU A 65 54.630 14.851 54.014 1.00 18.98 C ATOM 244 O LEU A 65 53.454 14.889 53.640 1.00 18.51 O ATOM 245 CB LEU A 65 55.620 12.857 52.926 1.00 17.75 C ATOM 246 CG LEU A 65 56.683 13.599 52.106 1.00 19.67 C ATOM 247 CD1 LEU A 65 58.035 13.535 52.802 1.00 20.98 C ATOM 248 CD2 LEU A 65 56.779 13.021 50.713 1.00 20.53 C ATOM 249 H LEU A 65 53.419 12.676 54.889 1.00 0.00 H ATOM 250 N ASP A 66 55.372 15.935 54.212 1.00 21.96 N ATOM 251 CA ASP A 66 54.861 17.252 53.871 1.00 26.26 C ATOM 252 C ASP A 66 54.653 17.337 52.368 1.00 28.65 C ATOM 253 O ASP A 66 55.574 17.078 51.586 1.00 28.42 O ATOM 254 CB ASP A 66 55.839 18.335 54.318 1.00 29.08 C ATOM 255 CG ASP A 66 55.420 19.715 53.848 1.00 30.71 C ATOM 256 OD1 ASP A 66 54.248 20.084 54.084 1.00 31.07 O ATOM 257 OD2 ASP A 66 56.250 20.424 53.237 1.00 32.61 O ATOM 258 H ASP A 66 56.326 15.840 54.614 1.00 0.00 H ATOM 259 N MET A 67 53.433 17.667 51.967 1.00 30.84 N ATOM 260 CA MET A 67 53.162 18.027 50.588 1.00 34.45 C ATOM 261 C MET A 67 52.994 19.533 50.582 1.00 34.89 C ATOM 262 O MET A 67 51.961 20.037 51.050 1.00 34.56 O ATOM 263 CB MET A 67 51.889 17.338 50.093 1.00 36.62 C ATOM 264 CG MET A 67 51.995 15.822 50.031 1.00 38.79 C ATOM 265 SD MET A 67 52.791 15.206 48.537 1.00 41.00 S ATOM 266 CE MET A 67 54.501 15.132 49.045 1.00 40.95 C ATOM 267 H MET A 67 52.654 17.668 52.656 1.00 0.00 H ATOM 268 N PRO A 68 53.991 20.296 50.134 1.00 35.36 N ATOM 269 CA PRO A 68 53.845 21.756 50.086 1.00 36.92 C ATOM 270 C PRO A 68 52.580 22.157 49.347 1.00 39.55 C ATOM 271 O PRO A 68 52.486 21.997 48.128 1.00 41.80 O ATOM 272 CB PRO A 68 55.104 22.209 49.336 1.00 36.53 C ATOM 273 CG PRO A 68 56.100 21.128 49.588 1.00 36.14 C ATOM 274 CD PRO A 68 55.317 19.847 49.678 1.00 36.35 C ATOM 275 N GLY A 69 51.591 22.654 50.086 1.00 39.72 N ATOM 276 CA GLY A 69 50.275 22.926 49.543 1.00 39.59 C ATOM 277 C GLY A 69 49.189 21.991 50.028 1.00 39.15 C ATOM 278 O GLY A 69 48.017 22.207 49.696 1.00 40.07 O ATOM 279 H GLY A 69 51.769 22.855 51.091 1.00 0.00 H ATOM 280 N PHE A 70 49.529 20.960 50.801 1.00 37.45 N ATOM 281 CA PHE A 70 48.522 20.048 51.325 1.00 36.66 C ATOM 282 C PHE A 70 48.685 19.715 52.803 1.00 31.86 C ATOM 283 O PHE A 70 47.784 19.087 53.365 1.00 33.15 O ATOM 284 CB PHE A 70 48.504 18.734 50.526 1.00 40.10 C ATOM 285 CG PHE A 70 48.257 18.916 49.053 1.00 43.38 C ATOM 286 CD1 PHE A 70 46.968 19.043 48.560 1.00 44.30 C ATOM 287 CD2 PHE A 70 49.317 18.948 48.160 1.00 44.45 C ATOM 288 CE1 PHE A 70 46.739 19.208 47.203 1.00 45.41 C ATOM 289 CE2 PHE A 70 49.097 19.113 46.801 1.00 45.49 C ATOM 290 CZ PHE A 70 47.805 19.243 46.323 1.00 45.81 C ATOM 291 H PHE A 70 50.531 20.804 51.034 1.00 0.00 H ATOM 292 N GLY A 71 49.776 20.101 53.451 1.00 25.89 N ATOM 293 CA GLY A 71 50.046 19.642 54.798 1.00 20.57 C ATOM 294 C GLY A 71 50.814 18.337 54.804 1.00 16.65 C ATOM 295 O GLY A 71 51.342 17.875 53.785 1.00 17.29 O ATOM 296 H GLY A 71 50.448 20.743 52.985 1.00 0.00 H ATOM 297 N ALA A 72 50.862 17.722 55.985 1.00 15.48 N ATOM 298 CA ALA A 72 51.609 16.484 56.201 1.00 15.75 C ATOM 299 C ALA A 72 50.677 15.300 55.972 1.00 16.58 C ATOM 300 O ALA A 72 49.827 14.995 56.813 1.00 18.83 O ATOM 301 CB ALA A 72 52.196 16.457 57.609 1.00 17.61 C ATOM 302 H ALA A 72 50.347 18.140 56.786 1.00 0.00 H ATOM 303 N VAL A 73 50.861 14.616 54.855 1.00 13.63 N ATOM 304 CA VAL A 73 49.919 13.602 54.388 1.00 12.71 C ATOM 305 C VAL A 73 50.293 12.236 54.950 1.00 12.45 C ATOM 306 O VAL A 73 51.427 11.772 54.792 1.00 12.41 O ATOM 307 CB VAL A 73 49.878 13.580 52.853 1.00 14.03 C ATOM 308 CG1 VAL A 73 48.940 12.493 52.367 1.00 15.53 C ATOM 309 CG2 VAL A 73 49.458 14.954 52.332 1.00 15.67 C ATOM 310 H VAL A 73 51.710 14.808 54.286 1.00 0.00 H ATOM 311 N ALA A 74 49.331 11.589 55.603 1.00 12.39 N ATOM 312 CA ALA A 74 49.510 10.230 56.093 1.00 11.85 C ATOM 313 C ALA A 74 49.389 9.244 54.944 1.00 12.10 C ATOM 314 O ALA A 74 48.549 9.410 54.054 1.00 13.51 O ATOM 315 CB ALA A 74 48.399 9.902 57.087 1.00 14.06 C ATOM 316 H ALA A 74 48.423 12.069 55.768 1.00 0.00 H ATOM 317 N SER A 75 50.209 8.195 54.982 1.00 11.58 N ATOM 318 CA SER A 75 50.069 7.057 54.085 1.00 11.44 C ATOM 319 C SER A 75 50.141 5.776 54.899 1.00 10.77 C ATOM 320 O SER A 75 51.029 5.631 55.750 1.00 10.33 O ATOM 321 CB SER A 75 51.179 7.040 53.039 1.00 13.32 C ATOM 322 OG SER A 75 50.993 5.933 52.164 1.00 13.09 O ATOM 323 HG SER A 75 51.020 5.093 52.687 1.00 0.00 H ATOM 324 H SER A 75 50.980 8.189 55.680 1.00 0.00 H ATOM 325 N ASN A 76 49.226 4.848 54.616 1.00 9.93 N ATOM 326 CA ASN A 76 49.095 3.604 55.366 1.00 9.74 C ATOM 327 C ASN A 76 49.515 2.410 54.518 1.00 9.29 C ATOM 328 O ASN A 76 49.218 2.347 53.316 1.00 10.31 O ATOM 329 CB ASN A 76 47.640 3.348 55.769 1.00 10.43 C ATOM 330 CG ASN A 76 47.045 4.473 56.606 1.00 11.99 C ATOM 331 OD1 ASN A 76 47.711 5.066 57.465 1.00 12.23 O ATOM 332 ND2 ASN A 76 45.768 4.761 56.368 1.00 12.42 N ATOM 333 HD22 ASN A 76 45.245 4.238 55.637 1.00 0.00 H ATOM 334 HD21 ASN A 76 45.293 5.509 56.913 1.00 0.00 H ATOM 335 H ASN A 76 48.575 5.019 53.823 1.00 0.00 H ATOM 336 N GLY A 77 50.179 1.455 55.171 1.00 9.72 N ATOM 337 CA GLY A 77 50.406 0.129 54.623 1.00 9.04 C ATOM 338 C GLY A 77 50.115 -0.916 55.680 1.00 8.57 C ATOM 339 O GLY A 77 49.573 -0.589 56.740 1.00 9.90 O ATOM 340 H GLY A 77 50.552 1.670 56.118 1.00 0.00 H ATOM 341 N LEU A 78 50.496 -2.164 55.432 1.00 8.40 N ATOM 342 CA LEU A 78 50.177 -3.257 56.338 1.00 8.96 C ATOM 343 C LEU A 78 51.416 -4.065 56.689 1.00 8.89 C ATOM 344 O LEU A 78 52.384 -4.127 55.931 1.00 8.91 O ATOM 345 CB LEU A 78 49.115 -4.206 55.743 1.00 10.80 C ATOM 346 CG LEU A 78 47.714 -3.614 55.602 1.00 12.54 C ATOM 347 CD1 LEU A 78 46.814 -4.559 54.813 1.00 15.78 C ATOM 348 CD2 LEU A 78 47.116 -3.280 56.970 1.00 13.31 C ATOM 349 H LEU A 78 51.037 -2.365 54.567 1.00 0.00 H ATOM 350 N ILE A 79 51.357 -4.694 57.858 1.00 8.86 N ATOM 351 CA ILE A 79 52.349 -5.649 58.343 1.00 8.55 C ATOM 352 C ILE A 79 51.581 -6.878 58.799 1.00 9.35 C ATOM 353 O ILE A 79 50.640 -6.756 59.586 1.00 10.89 O ATOM 354 CB ILE A 79 53.145 -5.075 59.535 1.00 9.67 C ATOM 355 CG1 ILE A 79 53.847 -3.770 59.144 1.00 10.58 C ATOM 356 CG2 ILE A 79 54.132 -6.106 60.093 1.00 10.92 C ATOM 357 CD1 ILE A 79 54.433 -3.024 60.319 1.00 11.35 C ATOM 358 H ILE A 79 50.544 -4.491 58.473 1.00 0.00 H ATOM 359 N VAL A 80 51.964 -8.051 58.297 1.00 9.22 N ATOM 360 CA VAL A 80 51.252 -9.293 58.577 1.00 9.96 C ATOM 361 C VAL A 80 52.246 -10.318 59.095 1.00 10.05 C ATOM 362 O VAL A 80 53.247 -10.599 58.431 1.00 11.41 O ATOM 363 CB VAL A 80 50.560 -9.833 57.309 1.00 11.04 C ATOM 364 CG1 VAL A 80 49.834 -11.159 57.592 1.00 13.23 C ATOM 365 CG2 VAL A 80 49.606 -8.791 56.726 1.00 11.68 C ATOM 366 H VAL A 80 52.802 -8.082 57.682 1.00 0.00 H ATOM 367 N ARG A 81 51.964 -10.902 60.261 1.00 10.20 N ATOM 368 CA ARG A 81 52.730 -12.061 60.703 1.00 11.22 C ATOM 369 C ARG A 81 52.059 -13.316 60.170 1.00 11.18 C ATOM 370 O ARG A 81 50.859 -13.526 60.383 1.00 12.89 O ATOM 371 CB ARG A 81 52.865 -12.161 62.225 1.00 12.87 C ATOM 372 CG ARG A 81 53.759 -13.346 62.619 1.00 13.28 C ATOM 373 CD ARG A 81 53.950 -13.475 64.121 1.00 14.34 C ATOM 374 NE ARG A 81 52.711 -13.795 64.821 1.00 15.31 N ATOM 375 CZ ARG A 81 52.110 -14.986 64.818 1.00 15.80 C ATOM 376 NH1 ARG A 81 52.616 -15.999 64.129 1.00 15.04 N ATOM 377 NH2 ARG A 81 50.980 -15.151 65.497 1.00 17.70 N ATOM 378 HE ARG A 81 52.260 -13.033 65.366 1.00 0.00 H ATOM 379 HH12 ARG A 81 52.138 -16.922 64.135 1.00 0.00 H ATOM 380 HH11 ARG A 81 53.491 -15.870 63.582 1.00 0.00 H ATOM 381 HH22 ARG A 81 50.505 -16.076 65.500 1.00 0.00 H ATOM 382 HH21 ARG A 81 50.570 -14.355 66.026 1.00 0.00 H ATOM 383 H ARG A 81 51.196 -10.530 60.856 1.00 0.00 H ATOM 384 N ASP A 82 52.832 -14.130 59.464 1.00 11.26 N ATOM 385 CA ASP A 82 52.389 -15.417 58.941 1.00 11.96 C ATOM 386 C ASP A 82 53.309 -16.458 59.562 1.00 12.40 C ATOM 387 O ASP A 82 54.396 -16.720 59.044 1.00 13.02 O ATOM 388 CB ASP A 82 52.509 -15.414 57.431 1.00 13.09 C ATOM 389 CG ASP A 82 52.203 -16.765 56.814 1.00 14.84 C ATOM 390 OD1 ASP A 82 51.359 -17.495 57.374 1.00 15.73 O ATOM 391 OD2 ASP A 82 52.799 -17.093 55.770 1.00 16.85 O ATOM 392 H ASP A 82 53.810 -13.833 59.272 1.00 0.00 H ATOM 393 N GLY A 83 52.883 -17.031 60.682 1.00 13.06 N ATOM 394 CA GLY A 83 53.713 -18.012 61.368 1.00 14.43 C ATOM 395 C GLY A 83 55.010 -17.384 61.845 1.00 13.58 C ATOM 396 O GLY A 83 55.013 -16.426 62.629 1.00 14.06 O ATOM 397 H GLY A 83 51.952 -16.778 61.071 1.00 0.00 H ATOM 398 N GLY A 84 56.132 -17.928 61.386 1.00 12.80 N ATOM 399 CA GLY A 84 57.432 -17.448 61.804 1.00 13.48 C ATOM 400 C GLY A 84 58.066 -16.400 60.915 1.00 12.96 C ATOM 401 O GLY A 84 59.279 -16.208 60.972 1.00 13.64 O ATOM 402 H GLY A 84 56.075 -18.717 60.711 1.00 0.00 H ATOM 403 N ARG A 85 57.272 -15.700 60.108 1.00 12.02 N ATOM 404 CA ARG A 85 57.806 -14.660 59.244 1.00 12.24 C ATOM 405 C ARG A 85 56.804 -13.521 59.153 1.00 11.09 C ATOM 406 O ARG A 85 55.632 -13.651 59.528 1.00 12.33 O ATOM 407 CB ARG A 85 58.138 -15.193 57.850 1.00 13.23 C ATOM 408 CG ARG A 85 56.900 -15.506 57.060 1.00 13.49 C ATOM 409 CD ARG A 85 57.037 -16.681 56.087 1.00 16.22 C ATOM 410 NE ARG A 85 55.787 -16.774 55.348 1.00 14.67 N ATOM 411 CZ ARG A 85 55.645 -16.552 54.043 1.00 13.71 C ATOM 412 NH1 ARG A 85 56.698 -16.321 53.264 1.00 14.92 N ATOM 413 NH2 ARG A 85 54.434 -16.588 53.523 1.00 13.17 N ATOM 414 HE ARG A 85 54.934 -17.035 55.883 1.00 0.00 H ATOM 415 HH12 ARG A 85 56.565 -16.150 52.247 1.00 0.00 H ATOM 416 HH11 ARG A 85 57.655 -16.311 53.672 1.00 0.00 H ATOM 417 HH22 ARG A 85 54.300 -16.418 52.506 1.00 0.00 H ATOM 418 HH21 ARG A 85 53.613 -16.787 54.130 1.00 0.00 H ATOM 419 H ARG A 85 56.252 -15.901 60.095 1.00 0.00 H ATOM 420 N VAL A 86 57.287 -12.393 58.639 1.00 9.84 N ATOM 421 CA VAL A 86 56.502 -11.173 58.498 1.00 9.71 C ATOM 422 C VAL A 86 56.454 -10.778 57.029 1.00 9.19 C ATOM 423 O VAL A 86 57.437 -10.922 56.293 1.00 10.07 O ATOM 424 CB VAL A 86 57.100 -10.041 59.362 1.00 9.65 C ATOM 425 CG1 VAL A 86 56.379 -8.722 59.118 1.00 10.26 C ATOM 426 CG2 VAL A 86 57.033 -10.424 60.835 1.00 11.20 C ATOM 427 H VAL A 86 58.277 -12.381 58.321 1.00 0.00 H ATOM 428 N LEU A 87 55.296 -10.294 56.603 1.00 9.25 N ATOM 429 CA LEU A 87 55.068 -9.831 55.245 1.00 9.25 C ATOM 430 C LEU A 87 54.635 -8.376 55.315 1.00 9.35 C ATOM 431 O LEU A 87 53.846 -8.000 56.189 1.00 10.58 O ATOM 432 CB LEU A 87 53.948 -10.644 54.596 1.00 9.80 C ATOM 433 CG LEU A 87 53.961 -12.150 54.866 1.00 11.15 C ATOM 434 CD1 LEU A 87 52.707 -12.803 54.305 1.00 12.23 C ATOM 435 CD2 LEU A 87 55.213 -12.800 54.293 1.00 12.62 C ATOM 436 H LEU A 87 54.507 -10.243 57.278 1.00 0.00 H ATOM 437 N VAL A 88 55.146 -7.549 54.402 1.00 8.16 N ATOM 438 CA VAL A 88 54.852 -6.118 54.408 1.00 8.99 C ATOM 439 C VAL A 88 54.116 -5.735 53.130 1.00 8.01 C ATOM 440 O VAL A 88 54.467 -6.197 52.038 1.00 8.60 O ATOM 441 CB VAL A 88 56.135 -5.277 54.587 1.00 9.72 C ATOM 442 CG1 VAL A 88 55.867 -3.780 54.382 1.00 11.69 C ATOM 443 CG2 VAL A 88 56.746 -5.545 55.953 1.00 10.50 C ATOM 444 H VAL A 88 55.771 -7.934 53.665 1.00 0.00 H ATOM 445 N VAL A 89 53.083 -4.905 53.274 1.00 7.88 N ATOM 446 CA VAL A 89 52.402 -4.295 52.142 1.00 7.42 C ATOM 447 C VAL A 89 52.688 -2.799 52.171 1.00 7.20 C ATOM 448 O VAL A 89 52.304 -2.104 53.126 1.00 7.81 O ATOM 449 CB VAL A 89 50.889 -4.544 52.177 1.00 8.54 C ATOM 450 CG1 VAL A 89 50.245 -3.893 50.961 1.00 10.18 C ATOM 451 CG2 VAL A 89 50.584 -6.036 52.235 1.00 10.24 C ATOM 452 H VAL A 89 52.750 -4.684 54.234 1.00 0.00 H ATOM 453 N ASP A 90 53.383 -2.324 51.132 1.00 7.62 N ATOM 454 CA ASP A 90 53.766 -0.930 50.893 1.00 7.86 C ATOM 455 C ASP A 90 54.929 -0.469 51.759 1.00 8.15 C ATOM 456 O ASP A 90 55.039 -0.857 52.933 1.00 7.90 O ATOM 457 CB ASP A 90 52.577 0.028 50.996 1.00 8.47 C ATOM 458 CG ASP A 90 51.625 -0.111 49.826 1.00 10.66 C ATOM 459 OD1 ASP A 90 52.051 -0.619 48.777 1.00 11.90 O ATOM 460 OD2 ASP A 90 50.445 0.277 49.944 1.00 13.30 O ATOM 461 H ASP A 90 53.684 -3.018 50.418 1.00 0.00 H ATOM 462 N THR A 91 55.813 0.346 51.181 1.00 8.79 N ATOM 463 CA THR A 91 56.807 1.035 51.988 1.00 9.02 C ATOM 464 C THR A 91 56.174 2.247 52.659 1.00 9.25 C ATOM 465 O THR A 91 54.987 2.542 52.477 1.00 9.49 O ATOM 466 CB THR A 91 58.044 1.431 51.169 1.00 9.21 C ATOM 467 OG1 THR A 91 57.744 2.546 50.318 1.00 9.13 O ATOM 468 CG2 THR A 91 58.519 0.307 50.282 1.00 9.96 C ATOM 469 HG1 THR A 91 57.463 3.317 50.872 1.00 0.00 H ATOM 470 H THR A 91 55.791 0.489 50.151 1.00 0.00 H ATOM 471 N ALA A 92 56.972 2.942 53.464 1.00 9.18 N ATOM 472 CA ALA A 92 56.642 4.302 53.862 1.00 9.60 C ATOM 473 C ALA A 92 57.066 5.260 52.751 1.00 10.40 C ATOM 474 O ALA A 92 57.576 4.844 51.705 1.00 11.01 O ATOM 475 CB ALA A 92 57.301 4.641 55.194 1.00 10.62 C ATOM 476 H ALA A 92 57.848 2.506 53.816 1.00 0.00 H ATOM 477 N TRP A 93 56.863 6.565 52.971 1.00 10.48 N ATOM 478 CA TRP A 93 57.225 7.545 51.952 1.00 10.95 C ATOM 479 C TRP A 93 58.724 7.525 51.646 1.00 11.14 C ATOM 480 O TRP A 93 59.127 7.776 50.503 1.00 12.52 O ATOM 481 CB TRP A 93 56.852 8.960 52.396 1.00 11.92 C ATOM 482 CG TRP A 93 55.408 9.299 52.564 1.00 11.04 C ATOM 483 CD1 TRP A 93 54.695 9.236 53.723 1.00 11.13 C ATOM 484 CD2 TRP A 93 54.531 9.874 51.586 1.00 11.69 C ATOM 485 NE1 TRP A 93 53.424 9.704 53.526 1.00 11.50 N ATOM 486 CE2 TRP A 93 53.292 10.104 52.222 1.00 12.10 C ATOM 487 CE3 TRP A 93 54.669 10.216 50.234 1.00 12.63 C ATOM 488 CZ2 TRP A 93 52.187 10.646 51.553 1.00 12.98 C ATOM 489 CZ3 TRP A 93 53.572 10.766 49.567 1.00 12.98 C ATOM 490 CH2 TRP A 93 52.345 10.973 50.228 1.00 13.39 C ATOM 491 HE1 TRP A 93 52.678 9.749 54.250 1.00 0.00 H ATOM 492 H TRP A 93 56.446 6.881 53.870 1.00 0.00 H ATOM 493 N THR A 94 59.575 7.293 52.652 1.00 11.22 N ATOM 494 CA THR A 94 61.017 7.448 52.472 1.00 11.92 C ATOM 495 C THR A 94 61.768 6.215 52.958 1.00 11.43 C ATOM 496 O THR A 94 61.238 5.392 53.710 1.00 11.90 O ATOM 497 CB THR A 94 61.571 8.663 53.234 1.00 13.04 C ATOM 498 OG1 THR A 94 61.537 8.394 54.645 1.00 12.98 O ATOM 499 CG2 THR A 94 60.784 9.948 52.906 1.00 14.27 C ATOM 500 HG1 THR A 94 61.893 9.175 55.137 1.00 0.00 H ATOM 501 H THR A 94 59.204 6.997 53.578 1.00 0.00 H ATOM 502 N ASP A 95 63.040 6.133 52.550 1.00 11.75 N ATOM 503 CA ASP A 95 63.907 5.053 53.007 1.00 12.85 C ATOM 504 C ASP A 95 64.052 5.084 54.522 1.00 12.42 C ATOM 505 O ASP A 95 63.942 4.049 55.190 1.00 12.47 O ATOM 506 CB ASP A 95 65.293 5.180 52.365 1.00 13.97 C ATOM 507 CG ASP A 95 65.305 4.850 50.879 1.00 14.98 C ATOM 508 OD1 ASP A 95 64.518 3.993 50.435 1.00 14.59 O ATOM 509 OD2 ASP A 95 66.157 5.433 50.166 1.00 18.40 O ATOM 510 H ASP A 95 63.416 6.850 51.897 1.00 0.00 H ATOM 511 N ASP A 96 64.325 6.269 55.085 1.00 13.30 N ATOM 512 CA ASP A 96 64.495 6.377 56.535 1.00 14.44 C ATOM 513 C ASP A 96 63.251 5.903 57.281 1.00 12.90 C ATOM 514 O ASP A 96 63.353 5.175 58.280 1.00 13.37 O ATOM 515 CB ASP A 96 64.839 7.818 56.928 1.00 17.81 C ATOM 516 CG ASP A 96 66.278 8.189 56.609 1.00 22.10 C ATOM 517 OD1 ASP A 96 67.064 7.306 56.207 1.00 22.97 O ATOM 518 OD2 ASP A 96 66.621 9.378 56.758 1.00 24.88 O ATOM 519 H ASP A 96 64.417 7.116 54.489 1.00 0.00 H ATOM 520 N GLN A 97 62.067 6.300 56.815 1.00 12.22 N ATOM 521 CA GLN A 97 60.840 5.850 57.467 1.00 11.83 C ATOM 522 C GLN A 97 60.662 4.350 57.321 1.00 11.11 C ATOM 523 O GLN A 97 60.205 3.677 58.255 1.00 11.74 O ATOM 524 CB GLN A 97 59.637 6.574 56.874 1.00 11.87 C ATOM 525 CG GLN A 97 59.604 8.067 57.160 1.00 12.03 C ATOM 526 CD GLN A 97 58.606 8.772 56.269 1.00 13.27 C ATOM 527 OE1 GLN A 97 58.065 8.171 55.338 1.00 13.77 O ATOM 528 NE2 GLN A 97 58.343 10.040 56.553 1.00 14.51 N ATOM 529 HE22 GLN A 97 58.824 10.505 57.349 1.00 0.00 H ATOM 530 HE21 GLN A 97 57.655 10.569 55.980 1.00 0.00 H ATOM 531 H GLN A 97 62.017 6.929 55.988 1.00 0.00 H ATOM 532 N THR A 98 60.991 3.817 56.144 1.00 10.70 N ATOM 533 CA THR A 98 60.855 2.386 55.911 1.00 11.03 C ATOM 534 C THR A 98 61.804 1.590 56.799 1.00 10.09 C ATOM 535 O THR A 98 61.414 0.551 57.349 1.00 10.71 O ATOM 536 CB THR A 98 61.024 2.102 54.420 1.00 11.26 C ATOM 537 OG1 THR A 98 60.023 2.841 53.717 1.00 10.08 O ATOM 538 CG2 THR A 98 60.846 0.624 54.110 1.00 11.08 C ATOM 539 HG1 THR A 98 60.140 3.807 53.898 1.00 0.00 H ATOM 540 H THR A 98 61.349 4.430 55.384 1.00 0.00 H ATOM 541 N ALA A 99 63.041 2.071 56.985 1.00 11.20 N ATOM 542 CA ALA A 99 63.942 1.423 57.931 1.00 12.32 C ATOM 543 C ALA A 99 63.347 1.432 59.331 1.00 11.63 C ATOM 544 O ALA A 99 63.529 0.480 60.096 1.00 12.50 O ATOM 545 CB ALA A 99 65.319 2.092 57.909 1.00 13.75 C ATOM 546 H ALA A 99 63.359 2.907 56.454 1.00 0.00 H ATOM 547 N GLN A 100 62.617 2.494 59.681 1.00 13.59 N ATOM 548 CA GLN A 100 61.964 2.537 60.984 1.00 13.75 C ATOM 549 C GLN A 100 60.834 1.513 61.087 1.00 12.59 C ATOM 550 O GLN A 100 60.602 0.953 62.167 1.00 13.03 O ATOM 551 CB GLN A 100 61.460 3.950 61.265 1.00 17.75 C ATOM 552 CG GLN A 100 62.550 4.887 61.752 1.00 21.92 C ATOM 553 CD GLN A 100 62.894 4.646 63.208 1.00 25.10 C ATOM 554 OE1 GLN A 100 63.447 3.604 63.567 1.00 25.08 O ATOM 555 NE2 GLN A 100 62.571 5.614 64.058 1.00 28.55 N ATOM 556 HE22 GLN A 100 62.105 6.477 63.711 1.00 0.00 H ATOM 557 HE21 GLN A 100 62.784 5.509 65.071 1.00 0.00 H ATOM 558 H GLN A 100 62.514 3.292 59.023 1.00 0.00 H ATOM 559 N ILE A 101 60.098 1.271 59.996 1.00 11.07 N ATOM 560 CA ILE A 101 59.138 0.165 60.002 1.00 11.08 C ATOM 561 C ILE A 101 59.845 -1.137 60.354 1.00 10.38 C ATOM 562 O ILE A 101 59.376 -1.917 61.189 1.00 10.36 O ATOM 563 CB ILE A 101 58.412 0.048 58.648 1.00 11.00 C ATOM 564 CG1 ILE A 101 57.514 1.258 58.401 1.00 11.87 C ATOM 565 CG2 ILE A 101 57.614 -1.255 58.596 1.00 11.87 C ATOM 566 CD1 ILE A 101 56.920 1.263 57.009 1.00 12.46 C ATOM 567 H ILE A 101 60.207 1.865 59.149 1.00 0.00 H ATOM 568 N LEU A 102 60.995 -1.387 59.720 1.00 10.44 N ATOM 569 CA LEU A 102 61.721 -2.623 59.988 1.00 11.75 C ATOM 570 C LEU A 102 62.205 -2.666 61.427 1.00 11.47 C ATOM 571 O LEU A 102 62.229 -3.738 62.046 1.00 12.04 O ATOM 572 CB LEU A 102 62.884 -2.774 59.006 1.00 11.70 C ATOM 573 CG LEU A 102 62.446 -2.773 57.537 1.00 11.69 C ATOM 574 CD1 LEU A 102 63.654 -2.991 56.658 1.00 12.88 C ATOM 575 CD2 LEU A 102 61.406 -3.851 57.285 1.00 12.33 C ATOM 576 H LEU A 102 61.372 -0.700 59.036 1.00 0.00 H ATOM 577 N ASN A 103 62.573 -1.507 61.983 1.00 12.46 N ATOM 578 CA ASN A 103 62.973 -1.440 63.385 1.00 14.32 C ATOM 579 C ASN A 103 61.798 -1.749 64.309 1.00 13.86 C ATOM 580 O ASN A 103 61.959 -2.447 65.319 1.00 14.80 O ATOM 581 CB ASN A 103 63.544 -0.049 63.668 1.00 16.09 C ATOM 582 CG ASN A 103 64.168 0.068 65.045 1.00 18.37 C ATOM 583 OD1 ASN A 103 64.481 -0.930 65.696 1.00 19.44 O ATOM 584 ND2 ASN A 103 64.358 1.301 65.495 1.00 19.99 N ATOM 585 HD22 ASN A 103 64.079 2.116 64.912 1.00 0.00 H ATOM 586 HD21 ASN A 103 64.786 1.453 66.431 1.00 0.00 H ATOM 587 H ASN A 103 62.574 -0.640 61.408 1.00 0.00 H ATOM 588 N TRP A 104 60.609 -1.239 63.982 1.00 13.01 N ATOM 589 CA TRP A 104 59.427 -1.554 64.781 1.00 12.48 C ATOM 590 C TRP A 104 59.110 -3.042 64.723 1.00 11.28 C ATOM 591 O TRP A 104 58.814 -3.661 65.752 1.00 12.31 O ATOM 592 CB TRP A 104 58.234 -0.715 64.323 1.00 13.04 C ATOM 593 CG TRP A 104 56.966 -0.991 65.080 1.00 13.52 C ATOM 594 CD1 TRP A 104 56.513 -0.326 66.178 1.00 14.30 C ATOM 595 CD2 TRP A 104 55.997 -2.013 64.800 1.00 13.44 C ATOM 596 NE1 TRP A 104 55.317 -0.862 66.595 1.00 15.13 N ATOM 597 CE2 TRP A 104 54.980 -1.902 65.771 1.00 14.58 C ATOM 598 CE3 TRP A 104 55.893 -3.011 63.823 1.00 13.20 C ATOM 599 CZ2 TRP A 104 53.865 -2.745 65.790 1.00 14.22 C ATOM 600 CZ3 TRP A 104 54.787 -3.847 63.842 1.00 14.42 C ATOM 601 CH2 TRP A 104 53.790 -3.712 64.824 1.00 15.50 C ATOM 602 HE1 TRP A 104 54.758 -0.530 67.407 1.00 0.00 H ATOM 603 H TRP A 104 60.523 -0.615 63.155 1.00 0.00 H ATOM 604 N ILE A 105 59.209 -3.641 63.534 1.00 10.94 N ATOM 605 CA ILE A 105 58.973 -5.077 63.389 1.00 11.11 C ATOM 606 C ILE A 105 59.947 -5.865 64.255 1.00 11.94 C ATOM 607 O ILE A 105 59.559 -6.822 64.946 1.00 12.36 O ATOM 608 CB ILE A 105 59.055 -5.494 61.908 1.00 10.78 C ATOM 609 CG1 ILE A 105 57.877 -4.907 61.126 1.00 10.88 C ATOM 610 CG2 ILE A 105 59.076 -7.014 61.789 1.00 11.37 C ATOM 611 CD1 ILE A 105 58.015 -5.029 59.613 1.00 10.75 C ATOM 612 H ILE A 105 59.458 -3.077 62.697 1.00 0.00 H ATOM 613 N LYS A 106 61.226 -5.476 64.237 1.00 11.94 N ATOM 614 CA LYS A 106 62.227 -6.171 65.039 1.00 13.54 C ATOM 615 C LYS A 106 61.878 -6.118 66.520 1.00 14.43 C ATOM 616 O LYS A 106 61.996 -7.123 67.232 1.00 15.30 O ATOM 617 CB LYS A 106 63.600 -5.545 64.789 1.00 14.46 C ATOM 618 CG LYS A 106 64.688 -5.983 65.756 1.00 16.84 C ATOM 619 CD LYS A 106 65.033 -7.453 65.574 1.00 18.73 C ATOM 620 CE LYS A 106 66.140 -7.880 66.535 1.00 19.96 C ATOM 621 NZ LYS A 106 66.429 -9.345 66.466 1.00 20.69 N ATOM 622 HZ1 LYS A 106 65.570 -9.878 66.710 1.00 0.00 H ATOM 623 HZ2 LYS A 106 66.730 -9.593 65.502 1.00 0.00 H ATOM 624 HZ3 LYS A 106 67.187 -9.580 67.138 1.00 0.00 H ATOM 625 H LYS A 106 61.510 -4.670 63.645 1.00 0.00 H ATOM 626 N GLN A 107 61.430 -4.957 66.999 1.00 16.08 N ATOM 627 CA GLN A 107 61.148 -4.796 68.420 1.00 17.48 C ATOM 628 C GLN A 107 59.834 -5.450 68.828 1.00 17.63 C ATOM 629 O GLN A 107 59.750 -6.048 69.906 1.00 19.26 O ATOM 630 CB GLN A 107 61.147 -3.313 68.783 1.00 20.43 C ATOM 631 CG GLN A 107 62.499 -2.640 68.588 1.00 23.89 C ATOM 632 CD GLN A 107 62.548 -1.230 69.155 1.00 27.51 C ATOM 633 OE1 GLN A 107 61.872 -0.912 70.142 1.00 29.79 O ATOM 634 NE2 GLN A 107 63.358 -0.379 68.537 1.00 27.41 N ATOM 635 HE22 GLN A 107 63.907 -0.691 67.711 1.00 0.00 H ATOM 636 HE21 GLN A 107 63.443 0.599 68.879 1.00 0.00 H ATOM 637 H GLN A 107 61.280 -4.157 66.351 1.00 0.00 H ATOM 638 N GLU A 108 58.799 -5.347 67.991 1.00 15.71 N ATOM 639 CA GLU A 108 57.461 -5.769 68.387 1.00 16.19 C ATOM 640 C GLU A 108 57.085 -7.165 67.918 1.00 15.52 C ATOM 641 O GLU A 108 56.178 -7.769 68.501 1.00 16.53 O ATOM 642 CB GLU A 108 56.413 -4.759 67.907 1.00 18.84 C ATOM 643 CG GLU A 108 56.602 -3.356 68.489 1.00 23.52 C ATOM 644 CD GLU A 108 56.223 -3.258 69.959 1.00 27.98 C ATOM 645 OE1 GLU A 108 55.609 -4.206 70.490 1.00 30.62 O ATOM 646 OE2 GLU A 108 56.527 -2.221 70.585 1.00 29.42 O ATOM 647 H GLU A 108 58.950 -4.958 67.038 1.00 0.00 H ATOM 648 N ILE A 109 57.743 -7.692 66.884 1.00 13.12 N ATOM 649 CA ILE A 109 57.468 -9.028 66.379 1.00 12.21 C ATOM 650 C ILE A 109 58.700 -9.919 66.445 1.00 13.22 C ATOM 651 O ILE A 109 58.616 -11.080 66.870 1.00 14.42 O ATOM 652 CB ILE A 109 56.883 -8.994 64.946 1.00 12.18 C ATOM 653 CG1 ILE A 109 55.623 -8.107 64.885 1.00 13.11 C ATOM 654 CG2 ILE A 109 56.597 -10.420 64.488 1.00 14.13 C ATOM 655 CD1 ILE A 109 55.137 -7.802 63.479 1.00 13.40 C ATOM 656 H ILE A 109 58.482 -7.125 66.421 1.00 0.00 H ATOM 657 N ASN A 110 59.855 -9.395 66.041 1.00 13.55 N ATOM 658 CA ASN A 110 61.126 -10.105 66.156 1.00 13.89 C ATOM 659 C ASN A 110 61.130 -11.402 65.346 1.00 14.26 C ATOM 660 O ASN A 110 61.533 -12.464 65.829 1.00 16.07 O ATOM 661 CB ASN A 110 61.518 -10.339 67.618 1.00 15.69 C ATOM 662 CG ASN A 110 62.954 -10.781 67.760 1.00 17.75 C ATOM 663 OD1 ASN A 110 63.797 -10.443 66.929 1.00 18.82 O ATOM 664 ND2 ASN A 110 63.240 -11.561 68.801 1.00 18.08 N ATOM 665 HD22 ASN A 110 62.494 -11.820 69.477 1.00 0.00 H ATOM 666 HD21 ASN A 110 64.210 -11.911 68.938 1.00 0.00 H ATOM 667 H ASN A 110 59.852 -8.441 65.627 1.00 0.00 H ATOM 668 N LEU A 111 60.695 -11.298 64.092 1.00 13.93 N ATOM 669 CA LEU A 111 60.772 -12.384 63.129 1.00 13.45 C ATOM 670 C LEU A 111 61.226 -11.805 61.798 1.00 13.84 C ATOM 671 O LEU A 111 61.024 -10.613 61.541 1.00 14.09 O ATOM 672 CB LEU A 111 59.409 -13.068 62.960 1.00 13.78 C ATOM 673 CG LEU A 111 58.899 -13.851 64.176 1.00 13.84 C ATOM 674 CD1 LEU A 111 57.453 -14.275 63.962 1.00 14.74 C ATOM 675 CD2 LEU A 111 59.767 -15.067 64.498 1.00 15.65 C ATOM 676 H LEU A 111 60.280 -10.395 63.786 1.00 0.00 H ATOM 677 N PRO A 112 61.854 -12.609 60.942 1.00 13.79 N ATOM 678 CA PRO A 112 62.354 -12.073 59.671 1.00 13.72 C ATOM 679 C PRO A 112 61.217 -11.618 58.772 1.00 12.54 C ATOM 680 O PRO A 112 60.126 -12.194 58.763 1.00 12.42 O ATOM 681 CB PRO A 112 63.105 -13.256 59.049 1.00 15.63 C ATOM 682 CG PRO A 112 62.602 -14.478 59.753 1.00 18.15 C ATOM 683 CD PRO A 112 62.195 -14.033 61.128 1.00 15.24 C ATOM 684 N VAL A 113 61.487 -10.561 58.007 1.00 11.97 N ATOM 685 CA VAL A 113 60.548 -10.069 57.008 1.00 11.24 C ATOM 686 C VAL A 113 60.835 -10.826 55.717 1.00 11.29 C ATOM 687 O VAL A 113 61.866 -10.604 55.074 1.00 12.72 O ATOM 688 CB VAL A 113 60.679 -8.553 56.808 1.00 10.97 C ATOM 689 CG1 VAL A 113 59.716 -8.092 55.725 1.00 12.18 C ATOM 690 CG2 VAL A 113 60.413 -7.813 58.112 1.00 12.33 C ATOM 691 H VAL A 113 62.397 -10.072 58.127 1.00 0.00 H ATOM 692 N ALA A 114 59.923 -11.722 55.334 1.00 9.74 N ATOM 693 CA ALA A 114 60.166 -12.591 54.187 1.00 10.17 C ATOM 694 C ALA A 114 60.028 -11.870 52.856 1.00 11.05 C ATOM 695 O ALA A 114 60.737 -12.203 51.900 1.00 12.66 O ATOM 696 CB ALA A 114 59.202 -13.779 54.220 1.00 11.34 C ATOM 697 H ALA A 114 59.029 -11.802 55.859 1.00 0.00 H ATOM 698 N LEU A 115 59.105 -10.920 52.757 1.00 9.34 N ATOM 699 CA LEU A 115 58.843 -10.256 51.491 1.00 9.91 C ATOM 700 C LEU A 115 58.039 -8.997 51.752 1.00 8.95 C ATOM 701 O LEU A 115 57.399 -8.841 52.800 1.00 8.89 O ATOM 702 CB LEU A 115 58.089 -11.164 50.510 1.00 11.66 C ATOM 703 CG LEU A 115 56.677 -11.597 50.929 1.00 13.90 C ATOM 704 CD1 LEU A 115 55.577 -10.645 50.431 1.00 14.64 C ATOM 705 CD2 LEU A 115 56.392 -13.016 50.445 1.00 16.32 C ATOM 706 H LEU A 115 58.560 -10.647 53.600 1.00 0.00 H ATOM 707 N ALA A 116 58.069 -8.112 50.762 1.00 8.69 N ATOM 708 CA ALA A 116 57.193 -6.954 50.705 1.00 8.92 C ATOM 709 C ALA A 116 56.573 -6.879 49.320 1.00 8.32 C ATOM 710 O ALA A 116 57.231 -7.177 48.315 1.00 10.34 O ATOM 711 CB ALA A 116 57.950 -5.647 50.991 1.00 10.82 C ATOM 712 H ALA A 116 58.752 -8.255 49.991 1.00 0.00 H ATOM 713 N VAL A 117 55.302 -6.485 49.272 1.00 8.48 N ATOM 714 CA VAL A 117 54.620 -6.183 48.023 1.00 8.60 C ATOM 715 C VAL A 117 54.170 -4.731 48.081 1.00 8.27 C ATOM 716 O VAL A 117 53.679 -4.268 49.117 1.00 8.85 O ATOM 717 CB VAL A 117 53.449 -7.152 47.754 1.00 10.36 C ATOM 718 CG1 VAL A 117 52.441 -7.134 48.895 1.00 10.82 C ATOM 719 CG2 VAL A 117 52.812 -6.864 46.405 1.00 12.25 C ATOM 720 H VAL A 117 54.775 -6.389 50.164 1.00 0.00 H ATOM 721 N VAL A 118 54.372 -4.001 46.985 1.00 8.06 N ATOM 722 CA VAL A 118 54.049 -2.581 46.928 1.00 9.03 C ATOM 723 C VAL A 118 52.967 -2.383 45.874 1.00 9.24 C ATOM 724 O VAL A 118 52.949 -3.080 44.853 1.00 10.00 O ATOM 725 CB VAL A 118 55.305 -1.722 46.666 1.00 11.21 C ATOM 726 CG1 VAL A 118 56.317 -1.921 47.782 1.00 13.18 C ATOM 727 CG2 VAL A 118 55.912 -2.069 45.328 1.00 13.78 C ATOM 728 H VAL A 118 54.773 -4.460 46.142 1.00 0.00 H ATOM 729 N THR A 119 52.052 -1.442 46.120 1.00 8.47 N ATOM 730 CA THR A 119 50.782 -1.473 45.408 1.00 9.92 C ATOM 731 C THR A 119 50.645 -0.483 44.252 1.00 9.48 C ATOM 732 O THR A 119 49.640 -0.560 43.539 1.00 10.70 O ATOM 733 CB THR A 119 49.583 -1.374 46.367 1.00 9.36 C ATOM 734 OG1 THR A 119 49.637 -0.145 47.099 1.00 9.71 O ATOM 735 CG2 THR A 119 49.580 -2.556 47.332 1.00 11.21 C ATOM 736 HG1 THR A 119 50.476 -0.111 47.623 1.00 0.00 H ATOM 737 H THR A 119 52.245 -0.693 46.815 1.00 0.00 H ATOM 738 N HIS A 120 51.602 0.429 44.046 1.00 9.27 N ATOM 739 CA HIS A 120 51.743 1.165 42.784 1.00 10.79 C ATOM 740 C HIS A 120 52.986 2.048 42.862 1.00 10.61 C ATOM 741 O HIS A 120 53.562 2.249 43.936 1.00 10.55 O ATOM 742 CB HIS A 120 50.511 1.968 42.309 1.00 12.47 C ATOM 743 CG HIS A 120 50.145 3.132 43.177 1.00 12.59 C ATOM 744 ND1 HIS A 120 49.392 3.003 44.325 1.00 13.67 N ATOM 745 CD2 HIS A 120 50.396 4.457 43.040 1.00 12.76 C ATOM 746 CE1 HIS A 120 49.212 4.196 44.867 1.00 13.62 C ATOM 747 NE2 HIS A 120 49.809 5.096 44.107 1.00 13.29 N ATOM 748 H HIS A 120 52.276 0.625 44.814 1.00 0.00 H ATOM 749 N ALA A 121 53.373 2.592 41.706 1.00 10.46 N ATOM 750 CA ALA A 121 54.630 3.331 41.571 1.00 11.86 C ATOM 751 C ALA A 121 54.457 4.824 41.882 1.00 11.37 C ATOM 752 O ALA A 121 54.689 5.691 41.041 1.00 13.29 O ATOM 753 CB ALA A 121 55.219 3.100 40.182 1.00 12.39 C ATOM 754 H ALA A 121 52.760 2.487 40.872 1.00 0.00 H ATOM 755 N HIS A 122 54.068 5.115 43.127 1.00 11.76 N ATOM 756 CA HIS A 122 54.118 6.468 43.675 1.00 11.80 C ATOM 757 C HIS A 122 54.892 6.418 44.988 1.00 10.06 C ATOM 758 O HIS A 122 55.026 5.359 45.605 1.00 9.70 O ATOM 759 CB HIS A 122 52.709 7.036 43.944 1.00 12.86 C ATOM 760 CG HIS A 122 52.019 7.584 42.733 1.00 14.58 C ATOM 761 ND1 HIS A 122 50.655 7.787 42.689 1.00 14.51 N ATOM 762 CD2 HIS A 122 52.497 8.008 41.537 1.00 15.96 C ATOM 763 CE1 HIS A 122 50.321 8.301 41.518 1.00 16.18 C ATOM 764 NE2 HIS A 122 51.419 8.436 40.798 1.00 17.90 N ATOM 765 H HIS A 122 53.715 4.346 43.731 1.00 0.00 H ATOM 766 N GLN A 123 55.396 7.568 45.429 1.00 11.24 N ATOM 767 CA GLN A 123 56.294 7.648 46.566 1.00 12.37 C ATOM 768 C GLN A 123 55.771 7.080 47.884 1.00 11.23 C ATOM 769 O GLN A 123 56.455 6.535 48.639 1.00 11.11 O ATOM 770 CB GLN A 123 56.786 9.090 46.819 1.00 13.69 C ATOM 771 CG GLN A 123 57.946 9.095 47.776 1.00 15.17 C ATOM 772 CD GLN A 123 58.393 10.486 48.241 1.00 17.78 C ATOM 773 OE1 GLN A 123 58.031 11.476 47.681 1.00 18.59 O ATOM 774 NE2 GLN A 123 59.138 10.498 49.264 1.00 18.62 N ATOM 775 HE22 GLN A 123 59.422 9.603 49.711 1.00 0.00 H ATOM 776 HE21 GLN A 123 59.466 11.403 49.658 1.00 0.00 H ATOM 777 H GLN A 123 55.135 8.447 44.938 1.00 0.00 H ATOM 778 N ASP A 124 54.395 7.303 48.089 1.00 10.84 N ATOM 779 CA ASP A 124 53.794 6.827 49.338 1.00 11.35 C ATOM 780 C ASP A 124 53.850 5.306 49.463 1.00 10.02 C ATOM 781 O ASP A 124 53.872 4.777 50.579 1.00 11.01 O ATOM 782 CB ASP A 124 52.368 7.394 49.607 1.00 11.68 C ATOM 783 CG ASP A 124 51.376 7.286 48.409 1.00 14.83 C ATOM 784 OD1 ASP A 124 51.857 7.050 47.298 1.00 14.55 O ATOM 785 OD2 ASP A 124 50.102 7.480 48.555 1.00 16.92 O ATOM 786 H ASP A 124 53.821 7.792 47.373 1.00 0.00 H ATOM 787 N LYS A 125 53.878 4.577 48.406 1.00 9.41 N ATOM 788 CA LYS A 125 53.903 3.098 48.343 1.00 10.41 C ATOM 789 C LYS A 125 55.235 2.472 47.978 1.00 9.63 C ATOM 790 O LYS A 125 55.490 1.356 48.432 1.00 9.27 O ATOM 791 CB LYS A 125 52.905 2.658 47.246 1.00 11.32 C ATOM 792 CG LYS A 125 51.550 3.356 47.208 1.00 11.63 C ATOM 793 CD LYS A 125 50.609 2.939 48.299 1.00 12.04 C ATOM 794 CE LYS A 125 50.866 3.571 49.652 1.00 11.86 C ATOM 795 NZ LYS A 125 49.977 2.987 50.690 1.00 13.34 N ATOM 796 HZ1 LYS A 125 48.984 3.152 50.427 1.00 0.00 H ATOM 797 HZ2 LYS A 125 50.153 1.964 50.760 1.00 0.00 H ATOM 798 HZ3 LYS A 125 50.174 3.437 51.607 1.00 0.00 H ATOM 799 H LYS A 125 53.884 5.080 47.496 1.00 0.00 H ATOM 800 N MET A 126 56.118 3.183 47.284 1.00 10.27 N ATOM 801 CA MET A 126 57.389 2.598 46.877 1.00 9.72 C ATOM 802 C MET A 126 58.600 3.436 47.250 1.00 9.50 C ATOM 803 O MET A 126 59.726 3.033 46.934 1.00 10.36 O ATOM 804 CB MET A 126 57.418 2.339 45.359 1.00 9.71 C ATOM 805 CG MET A 126 56.461 1.266 44.912 1.00 9.55 C ATOM 806 SD MET A 126 56.508 0.854 43.158 1.00 10.76 S ATOM 807 CE MET A 126 58.090 0.009 43.018 1.00 11.02 C ATOM 808 H MET A 126 55.899 4.167 47.029 1.00 0.00 H ATOM 809 N GLY A 127 58.410 4.585 47.901 1.00 9.68 N ATOM 810 CA GLY A 127 59.527 5.467 48.191 1.00 10.32 C ATOM 811 C GLY A 127 60.629 4.849 49.030 1.00 9.99 C ATOM 812 O GLY A 127 61.763 5.343 49.001 1.00 12.03 O ATOM 813 H GLY A 127 57.452 4.852 48.204 1.00 0.00 H ATOM 814 N GLY A 128 60.337 3.778 49.763 1.00 10.06 N ATOM 815 CA GLY A 128 61.336 3.192 50.634 1.00 10.84 C ATOM 816 C GLY A 128 61.917 1.878 50.149 1.00 10.11 C ATOM 817 O GLY A 128 62.459 1.110 50.949 1.00 11.12 O ATOM 818 H GLY A 128 59.387 3.359 49.711 1.00 0.00 H ATOM 819 N MET A 129 61.833 1.626 48.838 1.00 10.41 N ATOM 820 CA MET A 129 62.328 0.370 48.281 1.00 11.07 C ATOM 821 C MET A 129 63.787 0.111 48.650 1.00 10.72 C ATOM 822 O MET A 129 64.155 -1.017 48.994 1.00 12.30 O ATOM 823 CB MET A 129 62.165 0.405 46.764 1.00 11.81 C ATOM 824 CG MET A 129 62.403 -0.917 46.088 1.00 11.08 C ATOM 825 SD MET A 129 61.242 -2.207 46.556 1.00 11.65 S ATOM 826 CE MET A 129 59.785 -1.645 45.678 1.00 11.57 C ATOM 827 H MET A 129 61.409 2.335 48.206 1.00 0.00 H ATOM 828 N ASP A 130 64.641 1.140 48.568 1.00 11.33 N ATOM 829 CA ASP A 130 66.062 0.926 48.851 1.00 12.76 C ATOM 830 C ASP A 130 66.270 0.408 50.269 1.00 12.87 C ATOM 831 O ASP A 130 67.165 -0.407 50.506 1.00 14.32 O ATOM 832 CB ASP A 130 66.880 2.209 48.633 1.00 14.49 C ATOM 833 CG ASP A 130 67.353 2.408 47.176 1.00 17.95 C ATOM 834 OD1 ASP A 130 67.372 1.446 46.388 1.00 18.38 O ATOM 835 OD2 ASP A 130 67.747 3.548 46.822 1.00 19.85 O ATOM 836 H ASP A 130 64.297 2.085 48.305 1.00 0.00 H ATOM 837 N ALA A 131 65.461 0.868 51.228 1.00 12.89 N ATOM 838 CA ALA A 131 65.612 0.386 52.598 1.00 13.15 C ATOM 839 C ALA A 131 65.267 -1.094 52.708 1.00 12.42 C ATOM 840 O ALA A 131 65.897 -1.832 53.481 1.00 13.49 O ATOM 841 CB ALA A 131 64.759 1.209 53.556 1.00 13.77 C ATOM 842 H ALA A 131 64.726 1.567 50.999 1.00 0.00 H ATOM 843 N LEU A 132 64.251 -1.543 51.966 1.00 11.50 N ATOM 844 CA LEU A 132 63.933 -2.967 51.952 1.00 12.04 C ATOM 845 C LEU A 132 65.081 -3.760 51.351 1.00 12.51 C ATOM 846 O LEU A 132 65.467 -4.811 51.877 1.00 13.14 O ATOM 847 CB LEU A 132 62.649 -3.226 51.167 1.00 11.66 C ATOM 848 CG LEU A 132 61.388 -2.559 51.715 1.00 11.03 C ATOM 849 CD1 LEU A 132 60.217 -2.906 50.810 1.00 11.61 C ATOM 850 CD2 LEU A 132 61.112 -2.964 53.175 1.00 12.58 C ATOM 851 H LEU A 132 63.687 -0.878 51.399 1.00 0.00 H ATOM 852 N HIS A 133 65.651 -3.260 50.255 1.00 12.67 N ATOM 853 CA HIS A 133 66.768 -3.954 49.628 1.00 13.38 C ATOM 854 C HIS A 133 68.006 -3.947 50.507 1.00 13.48 C ATOM 855 O HIS A 133 68.723 -4.952 50.576 1.00 15.45 O ATOM 856 CB HIS A 133 67.039 -3.347 48.259 1.00 13.50 C ATOM 857 CG HIS A 133 65.908 -3.555 47.311 1.00 14.57 C ATOM 858 ND1 HIS A 133 65.755 -2.829 46.150 1.00 15.46 N ATOM 859 CD2 HIS A 133 64.862 -4.412 47.362 1.00 15.33 C ATOM 860 CE1 HIS A 133 64.668 -3.242 45.520 1.00 14.79 C ATOM 861 NE2 HIS A 133 64.099 -4.191 46.244 1.00 16.31 N ATOM 862 H HIS A 133 65.297 -2.372 49.846 1.00 0.00 H ATOM 863 N ALA A 134 68.274 -2.831 51.190 1.00 14.99 N ATOM 864 CA ALA A 134 69.412 -2.791 52.102 1.00 15.29 C ATOM 865 C ALA A 134 69.271 -3.814 53.221 1.00 16.18 C ATOM 866 O ALA A 134 70.278 -4.343 53.703 1.00 18.54 O ATOM 867 CB ALA A 134 69.585 -1.384 52.677 1.00 16.68 C ATOM 868 H ALA A 134 67.672 -1.991 51.072 1.00 0.00 H ATOM 869 N ALA A 135 68.037 -4.117 53.631 1.00 16.03 N ATOM 870 CA ALA A 135 67.758 -5.098 54.668 1.00 16.38 C ATOM 871 C ALA A 135 67.689 -6.525 54.143 1.00 15.83 C ATOM 872 O ALA A 135 67.481 -7.451 54.941 1.00 17.96 O ATOM 873 CB ALA A 135 66.433 -4.752 55.350 1.00 15.92 C ATOM 874 H ALA A 135 67.235 -3.627 53.186 1.00 0.00 H ATOM 875 N GLY A 136 67.842 -6.732 52.837 1.00 14.95 N ATOM 876 CA GLY A 136 67.815 -8.073 52.277 1.00 15.55 C ATOM 877 C GLY A 136 66.436 -8.661 52.081 1.00 15.51 C ATOM 878 O GLY A 136 66.297 -9.887 52.045 1.00 16.95 O ATOM 879 H GLY A 136 67.984 -5.918 52.205 1.00 0.00 H ATOM 880 N ILE A 137 65.411 -7.832 51.950 1.00 13.61 N ATOM 881 CA ILE A 137 64.035 -8.303 51.844 1.00 12.83 C ATOM 882 C ILE A 137 63.661 -8.421 50.371 1.00 13.25 C ATOM 883 O ILE A 137 63.907 -7.499 49.586 1.00 14.82 O ATOM 884 CB ILE A 137 63.090 -7.345 52.587 1.00 11.42 C ATOM 885 CG1 ILE A 137 63.397 -7.367 54.092 1.00 12.02 C ATOM 886 CG2 ILE A 137 61.619 -7.692 52.308 1.00 12.67 C ATOM 887 CD1 ILE A 137 62.847 -6.176 54.846 1.00 12.00 C ATOM 888 H ILE A 137 65.594 -6.809 51.922 1.00 0.00 H ATOM 889 N ALA A 138 63.068 -9.557 49.996 1.00 11.18 N ATOM 890 CA ALA A 138 62.606 -9.757 48.626 1.00 12.38 C ATOM 891 C ALA A 138 61.388 -8.879 48.363 1.00 10.93 C ATOM 892 O ALA A 138 60.464 -8.828 49.180 1.00 11.94 O ATOM 893 CB ALA A 138 62.224 -11.220 48.422 1.00 14.34 C ATOM 894 H ALA A 138 62.932 -10.315 50.695 1.00 0.00 H ATOM 895 N THR A 139 61.374 -8.199 47.216 1.00 10.80 N ATOM 896 CA THR A 139 60.332 -7.215 46.937 1.00 11.01 C ATOM 897 C THR A 139 59.583 -7.549 45.649 1.00 10.26 C ATOM 898 O THR A 139 60.166 -8.046 44.678 1.00 10.95 O ATOM 899 CB THR A 139 60.902 -5.792 46.846 1.00 11.47 C ATOM 900 OG1 THR A 139 61.941 -5.771 45.867 1.00 11.73 O ATOM 901 CG2 THR A 139 61.458 -5.344 48.196 1.00 11.96 C ATOM 902 HG1 THR A 139 62.314 -4.856 45.803 1.00 0.00 H ATOM 903 H THR A 139 62.117 -8.372 46.509 1.00 0.00 H ATOM 904 N TYR A 140 58.283 -7.238 45.649 1.00 9.91 N ATOM 905 CA TYR A 140 57.347 -7.588 44.584 1.00 10.73 C ATOM 906 C TYR A 140 56.477 -6.383 44.245 1.00 10.26 C ATOM 907 O TYR A 140 56.054 -5.641 45.135 1.00 10.71 O ATOM 908 CB TYR A 140 56.420 -8.744 45.008 1.00 11.31 C ATOM 909 CG TYR A 140 57.185 -10.019 45.265 1.00 11.10 C ATOM 910 CD1 TYR A 140 57.852 -10.231 46.466 1.00 11.39 C ATOM 911 CD2 TYR A 140 57.260 -11.001 44.291 1.00 11.21 C ATOM 912 CE1 TYR A 140 58.586 -11.392 46.689 1.00 12.24 C ATOM 913 CE2 TYR A 140 57.988 -12.169 44.500 1.00 12.44 C ATOM 914 CZ TYR A 140 58.651 -12.346 45.696 1.00 12.72 C ATOM 915 OH TYR A 140 59.369 -13.503 45.911 1.00 15.06 O ATOM 916 HH TYR A 140 60.078 -13.582 45.225 1.00 0.00 H ATOM 917 H TYR A 140 57.912 -6.710 46.465 1.00 0.00 H ATOM 918 N ALA A 141 56.190 -6.207 42.957 1.00 9.82 N ATOM 919 CA ALA A 141 55.238 -5.199 42.507 1.00 10.68 C ATOM 920 C ALA A 141 54.644 -5.674 41.197 1.00 10.75 C ATOM 921 O ALA A 141 55.219 -6.519 40.511 1.00 11.72 O ATOM 922 CB ALA A 141 55.901 -3.835 42.291 1.00 11.55 C ATOM 923 H ALA A 141 56.660 -6.808 42.250 1.00 0.00 H ATOM 924 N ASN A 142 53.482 -5.123 40.853 1.00 10.36 N ATOM 925 CA ASN A 142 52.959 -5.246 39.496 1.00 11.12 C ATOM 926 C ASN A 142 54.081 -4.997 38.494 1.00 10.51 C ATOM 927 O ASN A 142 54.863 -4.054 38.647 1.00 11.00 O ATOM 928 CB ASN A 142 51.850 -4.197 39.323 1.00 11.26 C ATOM 929 CG ASN A 142 51.083 -4.333 38.015 1.00 12.63 C ATOM 930 OD1 ASN A 142 51.484 -5.044 37.091 1.00 14.50 O ATOM 931 ND2 ASN A 142 49.957 -3.641 37.940 1.00 12.84 N ATOM 932 HD22 ASN A 142 49.654 -3.053 38.742 1.00 0.00 H ATOM 933 HD21 ASN A 142 49.376 -3.686 37.079 1.00 0.00 H ATOM 934 H ASN A 142 52.937 -4.595 41.564 1.00 0.00 H ATOM 935 N ALA A 143 54.177 -5.869 37.481 1.00 12.42 N ATOM 936 CA ALA A 143 55.134 -5.637 36.403 1.00 12.95 C ATOM 937 C ALA A 143 55.055 -4.206 35.885 1.00 12.09 C ATOM 938 O ALA A 143 56.083 -3.574 35.612 1.00 12.84 O ATOM 939 CB ALA A 143 54.870 -6.609 35.254 1.00 13.59 C ATOM 940 H ALA A 143 53.569 -6.712 37.463 1.00 0.00 H ATOM 941 N LEU A 144 53.838 -3.677 35.740 1.00 12.85 N ATOM 942 CA LEU A 144 53.694 -2.308 35.245 1.00 12.28 C ATOM 943 C LEU A 144 54.284 -1.293 36.219 1.00 11.95 C ATOM 944 O LEU A 144 54.843 -0.276 35.793 1.00 12.05 O ATOM 945 CB LEU A 144 52.227 -1.994 34.974 1.00 14.13 C ATOM 946 CG LEU A 144 51.940 -0.610 34.381 1.00 15.31 C ATOM 947 CD1 LEU A 144 52.750 -0.341 33.099 1.00 16.50 C ATOM 948 CD2 LEU A 144 50.453 -0.436 34.120 1.00 16.66 C ATOM 949 H LEU A 144 52.994 -4.237 35.978 1.00 0.00 H ATOM 950 N SER A 145 54.155 -1.537 37.526 1.00 11.39 N ATOM 951 CA SER A 145 54.785 -0.653 38.503 1.00 11.19 C ATOM 952 C SER A 145 56.296 -0.643 38.340 1.00 11.01 C ATOM 953 O SER A 145 56.934 0.413 38.450 1.00 11.62 O ATOM 954 CB SER A 145 54.445 -1.099 39.923 1.00 11.04 C ATOM 955 OG SER A 145 53.050 -1.144 40.140 1.00 11.51 O ATOM 956 HG SER A 145 52.666 -0.243 39.997 1.00 0.00 H ATOM 957 H SER A 145 53.605 -2.358 37.849 1.00 0.00 H ATOM 958 N ASN A 146 56.893 -1.820 38.109 1.00 11.05 N ATOM 959 CA ASN A 146 58.340 -1.878 37.947 1.00 11.53 C ATOM 960 C ASN A 146 58.764 -1.184 36.668 1.00 12.17 C ATOM 961 O ASN A 146 59.806 -0.522 36.630 1.00 13.64 O ATOM 962 CB ASN A 146 58.808 -3.331 37.971 1.00 11.72 C ATOM 963 CG ASN A 146 58.713 -3.933 39.362 1.00 11.64 C ATOM 964 OD1 ASN A 146 58.777 -3.208 40.362 1.00 11.87 O ATOM 965 ND2 ASN A 146 58.563 -5.252 39.442 1.00 13.00 N ATOM 966 HD22 ASN A 146 58.514 -5.823 38.574 1.00 0.00 H ATOM 967 HD21 ASN A 146 58.495 -5.712 40.372 1.00 0.00 H ATOM 968 H ASN A 146 56.326 -2.689 38.046 1.00 0.00 H ATOM 969 N GLN A 147 57.956 -1.310 35.616 1.00 12.90 N ATOM 970 CA GLN A 147 58.247 -0.597 34.376 1.00 14.57 C ATOM 971 C GLN A 147 58.187 0.916 34.574 1.00 13.54 C ATOM 972 O GLN A 147 59.025 1.656 34.043 1.00 13.58 O ATOM 973 CB GLN A 147 57.255 -1.028 33.298 1.00 16.58 C ATOM 974 CG GLN A 147 57.476 -0.334 31.957 1.00 21.47 C ATOM 975 CD GLN A 147 56.299 -0.493 31.003 1.00 27.80 C ATOM 976 OE1 GLN A 147 55.730 0.491 30.529 1.00 30.95 O ATOM 977 NE2 GLN A 147 55.930 -1.731 30.722 1.00 29.31 N ATOM 978 HE22 GLN A 147 56.439 -2.534 31.145 1.00 0.00 H ATOM 979 HE21 GLN A 147 55.131 -1.902 30.078 1.00 0.00 H ATOM 980 H GLN A 147 57.115 -1.919 35.679 1.00 0.00 H ATOM 981 N LEU A 148 57.195 1.391 35.329 1.00 11.59 N ATOM 982 CA LEU A 148 57.012 2.822 35.547 1.00 12.05 C ATOM 983 C LEU A 148 57.973 3.395 36.579 1.00 12.04 C ATOM 984 O LEU A 148 58.172 4.618 36.602 1.00 12.51 O ATOM 985 CB LEU A 148 55.579 3.094 36.018 1.00 13.30 C ATOM 986 CG LEU A 148 54.448 2.862 35.014 1.00 14.00 C ATOM 987 CD1 LEU A 148 53.093 2.984 35.694 1.00 15.67 C ATOM 988 CD2 LEU A 148 54.561 3.837 33.841 1.00 16.62 C ATOM 989 H LEU A 148 56.534 0.723 35.774 1.00 0.00 H ATOM 990 N ALA A 149 58.555 2.555 37.436 1.00 11.95 N ATOM 991 CA ALA A 149 59.292 3.068 38.591 1.00 12.51 C ATOM 992 C ALA A 149 60.344 4.108 38.227 1.00 12.53 C ATOM 993 O ALA A 149 60.319 5.202 38.813 1.00 11.95 O ATOM 994 CB ALA A 149 59.838 1.910 39.441 1.00 13.48 C ATOM 995 H ALA A 149 58.484 1.529 37.282 1.00 0.00 H ATOM 996 N PRO A 150 61.269 3.858 37.289 1.00 12.34 N ATOM 997 CA PRO A 150 62.297 4.878 37.003 1.00 14.29 C ATOM 998 C PRO A 150 61.725 6.237 36.641 1.00 13.42 C ATOM 999 O PRO A 150 62.166 7.251 37.196 1.00 15.14 O ATOM 1000 CB PRO A 150 63.110 4.246 35.863 1.00 15.37 C ATOM 1001 CG PRO A 150 62.907 2.767 36.042 1.00 15.58 C ATOM 1002 CD PRO A 150 61.488 2.625 36.513 1.00 13.58 C ATOM 1003 N GLN A 151 60.737 6.294 35.740 1.00 13.38 N ATOM 1004 CA GLN A 151 60.212 7.597 35.340 1.00 14.38 C ATOM 1005 C GLN A 151 59.477 8.281 36.484 1.00 14.11 C ATOM 1006 O GLN A 151 59.393 9.518 36.513 1.00 15.85 O ATOM 1007 CB GLN A 151 59.340 7.478 34.083 1.00 15.14 C ATOM 1008 CG GLN A 151 57.932 6.914 34.335 1.00 15.14 C ATOM 1009 CD GLN A 151 57.275 6.394 33.065 1.00 16.11 C ATOM 1010 OE1 GLN A 151 57.721 5.402 32.477 1.00 17.79 O ATOM 1011 NE2 GLN A 151 56.199 7.049 32.646 1.00 16.55 N ATOM 1012 HE22 GLN A 151 55.858 7.879 33.172 1.00 0.00 H ATOM 1013 HE21 GLN A 151 55.697 6.732 31.792 1.00 0.00 H ATOM 1014 H GLN A 151 60.348 5.421 35.330 1.00 0.00 H ATOM 1015 N GLU A 152 58.961 7.510 37.436 1.00 12.97 N ATOM 1016 CA GLU A 152 58.304 8.068 38.610 1.00 12.95 C ATOM 1017 C GLU A 152 59.289 8.420 39.710 1.00 13.36 C ATOM 1018 O GLU A 152 58.863 8.901 40.768 1.00 15.02 O ATOM 1019 CB GLU A 152 57.251 7.092 39.139 1.00 13.82 C ATOM 1020 CG GLU A 152 56.172 6.733 38.132 1.00 13.95 C ATOM 1021 CD GLU A 152 55.393 7.948 37.680 1.00 16.36 C ATOM 1022 OE1 GLU A 152 55.178 8.844 38.524 1.00 16.34 O ATOM 1023 OE2 GLU A 152 55.001 8.001 36.496 1.00 19.41 O ATOM 1024 H GLU A 152 59.028 6.477 37.340 1.00 0.00 H ATOM 1025 N GLY A 153 60.588 8.203 39.489 1.00 12.80 N ATOM 1026 CA GLY A 153 61.567 8.461 40.525 1.00 13.94 C ATOM 1027 C GLY A 153 61.636 7.398 41.593 1.00 14.14 C ATOM 1028 O GLY A 153 62.181 7.650 42.674 1.00 15.20 O ATOM 1029 H GLY A 153 60.900 7.845 38.564 1.00 0.00 H ATOM 1030 N MET A 154 61.077 6.220 41.334 1.00 12.85 N ATOM 1031 CA MET A 154 61.092 5.111 42.270 1.00 12.54 C ATOM 1032 C MET A 154 62.142 4.094 41.857 1.00 13.57 C ATOM 1033 O MET A 154 62.539 4.010 40.695 1.00 14.71 O ATOM 1034 CB MET A 154 59.735 4.409 42.277 1.00 12.58 C ATOM 1035 CG MET A 154 58.567 5.286 42.658 1.00 12.55 C ATOM 1036 SD MET A 154 58.637 5.814 44.378 1.00 13.03 S ATOM 1037 CE MET A 154 58.992 7.546 44.203 1.00 13.62 C ATOM 1038 H MET A 154 60.606 6.087 40.416 1.00 0.00 H ATOM 1039 N VAL A 155 62.563 3.301 42.826 1.00 13.39 N ATOM 1040 CA VAL A 155 63.371 2.116 42.577 1.00 13.67 C ATOM 1041 C VAL A 155 62.423 0.939 42.360 1.00 12.95 C ATOM 1042 O VAL A 155 61.482 0.730 43.137 1.00 14.35 O ATOM 1043 CB VAL A 155 64.320 1.863 43.761 1.00 15.41 C ATOM 1044 CG1 VAL A 155 65.080 0.548 43.587 1.00 16.78 C ATOM 1045 CG2 VAL A 155 65.281 3.038 43.924 1.00 17.06 C ATOM 1046 H VAL A 155 62.307 3.533 43.807 1.00 0.00 H ATOM 1047 N ALA A 156 62.646 0.183 41.286 1.00 12.83 N ATOM 1048 CA ALA A 156 61.809 -0.977 40.999 1.00 12.42 C ATOM 1049 C ALA A 156 61.952 -2.053 42.074 1.00 12.19 C ATOM 1050 O ALA A 156 63.008 -2.217 42.695 1.00 12.87 O ATOM 1051 CB ALA A 156 62.184 -1.584 39.646 1.00 14.15 C ATOM 1052 H ALA A 156 63.428 0.423 40.643 1.00 0.00 H ATOM 1053 N ALA A 157 60.869 -2.803 42.281 1.00 12.28 N ATOM 1054 CA ALA A 157 60.960 -4.031 43.056 1.00 12.22 C ATOM 1055 C ALA A 157 61.773 -5.066 42.287 1.00 11.76 C ATOM 1056 O ALA A 157 61.968 -4.967 41.068 1.00 13.11 O ATOM 1057 CB ALA A 157 59.567 -4.598 43.336 1.00 11.49 C ATOM 1058 H ALA A 157 59.953 -2.508 41.886 1.00 0.00 H ATOM 1059 N GLN A 158 62.234 -6.081 43.020 1.00 12.17 N ATOM 1060 CA GLN A 158 63.081 -7.107 42.429 1.00 12.33 C ATOM 1061 C GLN A 158 62.285 -8.088 41.579 1.00 12.41 C ATOM 1062 O GLN A 158 62.835 -8.686 40.646 1.00 15.21 O ATOM 1063 CB GLN A 158 63.810 -7.859 43.536 1.00 14.16 C ATOM 1064 CG GLN A 158 64.837 -7.026 44.277 1.00 16.78 C ATOM 1065 CD GLN A 158 65.240 -7.680 45.582 1.00 19.52 C ATOM 1066 OE1 GLN A 158 64.493 -8.493 46.135 1.00 20.88 O ATOM 1067 NE2 GLN A 158 66.411 -7.325 46.087 1.00 21.08 N ATOM 1068 HE22 GLN A 158 67.006 -6.636 45.585 1.00 0.00 H ATOM 1069 HE21 GLN A 158 66.736 -7.735 46.986 1.00 0.00 H ATOM 1070 H GLN A 158 61.985 -6.140 44.028 1.00 0.00 H ATOM 1071 N HIS A 159 60.996 -8.257 41.865 1.00 11.87 N ATOM 1072 CA HIS A 159 60.167 -9.252 41.205 1.00 11.77 C ATOM 1073 C HIS A 159 58.889 -8.608 40.698 1.00 12.06 C ATOM 1074 O HIS A 159 58.353 -7.685 41.318 1.00 12.19 O ATOM 1075 CB HIS A 159 59.802 -10.387 42.163 1.00 13.48 C ATOM 1076 CG HIS A 159 60.989 -11.056 42.773 1.00 14.81 C ATOM 1077 ND1 HIS A 159 61.783 -11.938 42.075 1.00 17.41 N ATOM 1078 CD2 HIS A 159 61.531 -10.956 44.011 1.00 15.87 C ATOM 1079 CE1 HIS A 159 62.758 -12.362 42.860 1.00 17.26 C ATOM 1080 NE2 HIS A 159 62.632 -11.776 44.037 1.00 17.25 N ATOM 1081 H HIS A 159 60.564 -7.651 42.592 1.00 0.00 H ATOM 1082 N SER A 160 58.397 -9.116 39.574 1.00 12.43 N ATOM 1083 CA SER A 160 57.225 -8.571 38.906 1.00 12.58 C ATOM 1084 C SER A 160 56.048 -9.532 39.014 1.00 12.36 C ATOM 1085 O SER A 160 56.161 -10.719 38.671 1.00 13.92 O ATOM 1086 CB SER A 160 57.527 -8.275 37.434 1.00 13.73 C ATOM 1087 OG SER A 160 58.431 -7.187 37.310 1.00 14.72 O ATOM 1088 HG SER A 160 58.610 -7.016 36.351 1.00 0.00 H ATOM 1089 H SER A 160 58.871 -9.940 39.152 1.00 0.00 H ATOM 1090 N LEU A 161 54.917 -9.012 39.471 1.00 11.65 N ATOM 1091 CA LEU A 161 53.669 -9.753 39.466 1.00 11.88 C ATOM 1092 C LEU A 161 52.971 -9.563 38.132 1.00 12.90 C ATOM 1093 O LEU A 161 52.977 -8.469 37.565 1.00 13.68 O ATOM 1094 CB LEU A 161 52.744 -9.239 40.569 1.00 12.58 C ATOM 1095 CG LEU A 161 53.307 -9.252 41.986 1.00 14.48 C ATOM 1096 CD1 LEU A 161 52.267 -8.742 42.967 1.00 14.36 C ATOM 1097 CD2 LEU A 161 53.742 -10.650 42.358 1.00 15.78 C ATOM 1098 H LEU A 161 54.924 -8.042 39.845 1.00 0.00 H ATOM 1099 N THR A 162 52.379 -10.635 37.622 1.00 13.10 N ATOM 1100 CA THR A 162 51.507 -10.522 36.467 1.00 14.64 C ATOM 1101 C THR A 162 50.150 -11.091 36.847 1.00 13.88 C ATOM 1102 O THR A 162 50.011 -11.801 37.851 1.00 14.81 O ATOM 1103 CB THR A 162 52.082 -11.199 35.216 1.00 16.52 C ATOM 1104 OG1 THR A 162 52.227 -12.591 35.473 1.00 17.98 O ATOM 1105 CG2 THR A 162 53.438 -10.618 34.850 1.00 17.50 C ATOM 1106 HG1 THR A 162 52.598 -13.037 34.671 1.00 0.00 H ATOM 1107 H THR A 162 52.541 -11.567 38.054 1.00 0.00 H ATOM 1108 N PHE A 163 49.137 -10.730 36.068 1.00 15.36 N ATOM 1109 CA PHE A 163 47.761 -10.956 36.466 1.00 15.53 C ATOM 1110 C PHE A 163 46.994 -11.626 35.345 1.00 17.83 C ATOM 1111 O PHE A 163 47.200 -11.327 34.164 1.00 18.64 O ATOM 1112 CB PHE A 163 47.099 -9.642 36.891 1.00 16.37 C ATOM 1113 CG PHE A 163 47.757 -9.028 38.084 1.00 14.90 C ATOM 1114 CD1 PHE A 163 48.871 -8.214 37.933 1.00 15.94 C ATOM 1115 CD2 PHE A 163 47.311 -9.323 39.364 1.00 14.26 C ATOM 1116 CE1 PHE A 163 49.510 -7.680 39.041 1.00 15.41 C ATOM 1117 CE2 PHE A 163 47.945 -8.782 40.477 1.00 13.84 C ATOM 1118 CZ PHE A 163 49.045 -7.967 40.314 1.00 15.16 C ATOM 1119 H PHE A 163 49.335 -10.276 35.154 1.00 0.00 H ATOM 1120 N ALA A 164 46.115 -12.539 35.734 1.00 18.44 N ATOM 1121 CA ALA A 164 45.213 -13.178 34.799 1.00 20.09 C ATOM 1122 C ALA A 164 44.190 -12.164 34.293 1.00 21.16 C ATOM 1123 O ALA A 164 44.066 -11.049 34.810 1.00 21.05 O ATOM 1124 CB ALA A 164 44.507 -14.348 35.479 1.00 20.64 C ATOM 1125 H ALA A 164 46.072 -12.804 36.739 1.00 0.00 H ATOM 1126 N ALA A 165 43.437 -12.572 33.271 1.00 22.62 N ATOM 1127 CA ALA A 165 42.464 -11.667 32.672 1.00 24.27 C ATOM 1128 C ALA A 165 41.416 -11.215 33.677 1.00 24.64 C ATOM 1129 O ALA A 165 40.921 -10.083 33.587 1.00 26.22 O ATOM 1130 CB ALA A 165 41.800 -12.329 31.462 1.00 24.53 C ATOM 1131 H ALA A 165 43.544 -13.538 32.901 1.00 0.00 H ATOM 1132 N ASN A 166 41.073 -12.069 34.644 1.00 24.13 N ATOM 1133 CA ASN A 166 40.076 -11.719 35.651 1.00 24.41 C ATOM 1134 C ASN A 166 40.637 -10.909 36.811 1.00 22.84 C ATOM 1135 O ASN A 166 39.882 -10.569 37.731 1.00 23.35 O ATOM 1136 CB ASN A 166 39.348 -12.964 36.171 1.00 24.92 C ATOM 1137 CG ASN A 166 40.245 -13.900 36.976 1.00 25.81 C ATOM 1138 OD1 ASN A 166 41.409 -13.610 37.259 1.00 26.05 O ATOM 1139 ND2 ASN A 166 39.687 -15.042 37.351 1.00 26.96 N ATOM 1140 HD22 ASN A 166 38.701 -15.249 37.092 1.00 0.00 H ATOM 1141 HD21 ASN A 166 40.235 -15.731 37.905 1.00 0.00 H ATOM 1142 H ASN A 166 41.526 -13.004 34.681 1.00 0.00 H ATOM 1143 N GLY A 167 41.928 -10.600 36.808 1.00 20.05 N ATOM 1144 CA GLY A 167 42.502 -9.719 37.795 1.00 18.82 C ATOM 1145 C GLY A 167 43.306 -10.398 38.886 1.00 17.92 C ATOM 1146 O GLY A 167 44.108 -9.729 39.543 1.00 16.39 O ATOM 1147 H GLY A 167 42.543 -11.005 36.073 1.00 0.00 H ATOM 1148 N TRP A 168 43.121 -11.695 39.112 1.00 17.63 N ATOM 1149 CA TRP A 168 43.886 -12.350 40.168 1.00 17.11 C ATOM 1150 C TRP A 168 45.338 -12.542 39.746 1.00 15.41 C ATOM 1151 O TRP A 168 45.632 -12.837 38.583 1.00 16.45 O ATOM 1152 CB TRP A 168 43.264 -13.690 40.543 1.00 18.53 C ATOM 1153 CG TRP A 168 41.997 -13.509 41.325 1.00 19.79 C ATOM 1154 CD1 TRP A 168 40.726 -13.749 40.890 1.00 21.19 C ATOM 1155 CD2 TRP A 168 41.877 -13.021 42.671 1.00 20.37 C ATOM 1156 NE1 TRP A 168 39.826 -13.450 41.881 1.00 21.65 N ATOM 1157 CE2 TRP A 168 40.506 -13.002 42.984 1.00 21.23 C ATOM 1158 CE3 TRP A 168 42.796 -12.607 43.643 1.00 21.26 C ATOM 1159 CZ2 TRP A 168 40.028 -12.585 44.224 1.00 21.59 C ATOM 1160 CZ3 TRP A 168 42.317 -12.187 44.875 1.00 22.16 C ATOM 1161 CH2 TRP A 168 40.945 -12.183 45.154 1.00 21.90 C ATOM 1162 HE1 TRP A 168 38.793 -13.548 41.807 1.00 0.00 H ATOM 1163 H TRP A 168 42.439 -12.236 38.543 1.00 0.00 H ATOM 1164 N VAL A 169 46.248 -12.367 40.707 1.00 14.60 N ATOM 1165 CA VAL A 169 47.665 -12.557 40.432 1.00 13.79 C ATOM 1166 C VAL A 169 47.903 -13.970 39.919 1.00 16.11 C ATOM 1167 O VAL A 169 47.261 -14.938 40.355 1.00 16.56 O ATOM 1168 CB VAL A 169 48.506 -12.236 41.682 1.00 13.08 C ATOM 1169 CG1 VAL A 169 48.293 -13.277 42.790 1.00 15.48 C ATOM 1170 CG2 VAL A 169 49.982 -12.124 41.345 1.00 13.47 C ATOM 1171 H VAL A 169 45.941 -12.092 41.662 1.00 0.00 H ATOM 1172 N GLU A 170 48.808 -14.087 38.968 1.00 15.45 N ATOM 1173 CA GLU A 170 49.245 -15.403 38.531 1.00 17.83 C ATOM 1174 C GLU A 170 50.093 -15.981 39.655 1.00 17.46 C ATOM 1175 O GLU A 170 51.124 -15.390 40.009 1.00 16.73 O ATOM 1176 CB GLU A 170 50.029 -15.271 37.231 1.00 21.55 C ATOM 1177 CG GLU A 170 49.302 -14.390 36.204 1.00 27.80 C ATOM 1178 CD GLU A 170 49.506 -14.809 34.767 1.00 32.98 C ATOM 1179 OE1 GLU A 170 48.744 -15.676 34.285 1.00 34.84 O ATOM 1180 OE2 GLU A 170 50.416 -14.250 34.115 1.00 34.87 O ATOM 1181 H GLU A 170 49.211 -13.235 38.529 1.00 0.00 H ATOM 1182 N PRO A 171 49.680 -17.087 40.275 1.00 18.29 N ATOM 1183 CA PRO A 171 50.340 -17.514 41.518 1.00 17.99 C ATOM 1184 C PRO A 171 51.823 -17.797 41.379 1.00 15.36 C ATOM 1185 O PRO A 171 52.557 -17.624 42.358 1.00 16.12 O ATOM 1186 CB PRO A 171 49.539 -18.751 41.949 1.00 21.24 C ATOM 1187 CG PRO A 171 48.792 -19.163 40.744 1.00 23.18 C ATOM 1188 CD PRO A 171 48.529 -17.941 39.940 1.00 20.63 C ATOM 1189 N ALA A 172 52.296 -18.202 40.197 1.00 15.22 N ATOM 1190 CA ALA A 172 53.727 -18.431 40.030 1.00 15.56 C ATOM 1191 C ALA A 172 54.547 -17.166 40.258 1.00 14.30 C ATOM 1192 O ALA A 172 55.734 -17.255 40.601 1.00 14.27 O ATOM 1193 CB ALA A 172 54.013 -18.983 38.633 1.00 17.42 C ATOM 1194 H ALA A 172 51.647 -18.353 39.399 1.00 0.00 H ATOM 1195 N THR A 173 53.953 -15.984 40.050 1.00 13.50 N ATOM 1196 CA THR A 173 54.686 -14.730 40.224 1.00 12.95 C ATOM 1197 C THR A 173 54.627 -14.201 41.643 1.00 12.22 C ATOM 1198 O THR A 173 55.354 -13.256 41.960 1.00 13.16 O ATOM 1199 CB THR A 173 54.219 -13.640 39.247 1.00 12.89 C ATOM 1200 OG1 THR A 173 52.901 -13.198 39.590 1.00 12.88 O ATOM 1201 CG2 THR A 173 54.241 -14.175 37.806 1.00 14.40 C ATOM 1202 HG1 THR A 173 52.275 -13.964 39.545 1.00 0.00 H ATOM 1203 H THR A 173 52.955 -15.957 39.760 1.00 0.00 H ATOM 1204 N ALA A 174 53.799 -14.795 42.500 1.00 12.16 N ATOM 1205 CA ALA A 174 53.679 -14.400 43.902 1.00 11.87 C ATOM 1206 C ALA A 174 53.924 -15.615 44.791 1.00 12.08 C ATOM 1207 O ALA A 174 53.065 -15.990 45.600 1.00 12.95 O ATOM 1208 CB ALA A 174 52.302 -13.799 44.170 1.00 12.92 C ATOM 1209 H ALA A 174 53.209 -15.579 42.155 1.00 0.00 H ATOM 1210 N PRO A 175 55.095 -16.248 44.681 1.00 11.76 N ATOM 1211 CA PRO A 175 55.360 -17.433 45.506 1.00 12.22 C ATOM 1212 C PRO A 175 55.490 -17.057 46.973 1.00 11.05 C ATOM 1213 O PRO A 175 55.963 -15.972 47.331 1.00 11.59 O ATOM 1214 CB PRO A 175 56.698 -17.946 44.963 1.00 13.07 C ATOM 1215 CG PRO A 175 57.380 -16.701 44.487 1.00 13.25 C ATOM 1216 CD PRO A 175 56.280 -15.865 43.891 1.00 12.18 C ATOM 1217 N ASN A 176 55.056 -17.978 47.831 1.00 11.38 N ATOM 1218 CA ASN A 176 55.241 -17.844 49.276 1.00 12.34 C ATOM 1219 C ASN A 176 54.550 -16.610 49.851 1.00 11.31 C ATOM 1220 O ASN A 176 55.014 -16.032 50.838 1.00 12.32 O ATOM 1221 CB ASN A 176 56.725 -17.867 49.645 1.00 13.73 C ATOM 1222 CG ASN A 176 57.382 -19.156 49.230 1.00 16.45 C ATOM 1223 OD1 ASN A 176 56.951 -20.224 49.654 1.00 17.02 O ATOM 1224 ND2 ASN A 176 58.407 -19.074 48.383 1.00 20.02 N ATOM 1225 HD22 ASN A 176 58.735 -18.144 48.052 1.00 0.00 H ATOM 1226 HD21 ASN A 176 58.879 -19.940 48.052 1.00 0.00 H ATOM 1227 H ASN A 176 54.570 -18.820 47.462 1.00 0.00 H ATOM 1228 N PHE A 177 53.434 -16.203 49.251 1.00 11.60 N ATOM 1229 CA PHE A 177 52.706 -15.041 49.738 1.00 11.49 C ATOM 1230 C PHE A 177 51.802 -15.355 50.923 1.00 11.56 C ATOM 1231 O PHE A 177 51.201 -14.431 51.471 1.00 12.03 O ATOM 1232 CB PHE A 177 51.912 -14.375 48.607 1.00 11.45 C ATOM 1233 CG PHE A 177 52.649 -13.249 47.930 1.00 11.02 C ATOM 1234 CD1 PHE A 177 53.964 -13.412 47.494 1.00 11.05 C ATOM 1235 CD2 PHE A 177 52.023 -12.032 47.707 1.00 11.89 C ATOM 1236 CE1 PHE A 177 54.643 -12.362 46.866 1.00 11.62 C ATOM 1237 CE2 PHE A 177 52.693 -10.993 47.069 1.00 12.30 C ATOM 1238 CZ PHE A 177 54.007 -11.157 46.657 1.00 11.31 C ATOM 1239 H PHE A 177 53.078 -16.722 48.423 1.00 0.00 H ATOM 1240 N GLY A 178 51.702 -16.614 51.353 1.00 14.44 N ATOM 1241 CA GLY A 178 50.919 -16.949 52.518 1.00 14.40 C ATOM 1242 C GLY A 178 49.481 -16.484 52.386 1.00 14.70 C ATOM 1243 O GLY A 178 48.799 -16.784 51.405 1.00 16.61 O ATOM 1244 H GLY A 178 52.198 -17.369 50.838 1.00 0.00 H ATOM 1245 N PRO A 179 48.992 -15.729 53.372 1.00 14.17 N ATOM 1246 CA PRO A 179 47.596 -15.286 53.333 1.00 14.74 C ATOM 1247 C PRO A 179 47.340 -14.095 52.425 1.00 13.69 C ATOM 1248 O PRO A 179 46.177 -13.701 52.285 1.00 15.05 O ATOM 1249 CB PRO A 179 47.320 -14.916 54.797 1.00 16.36 C ATOM 1250 CG PRO A 179 48.646 -14.438 55.290 1.00 17.23 C ATOM 1251 CD PRO A 179 49.663 -15.332 54.622 1.00 16.43 C ATOM 1252 N LEU A 180 48.364 -13.501 51.811 1.00 13.32 N ATOM 1253 CA LEU A 180 48.145 -12.331 50.966 1.00 13.36 C ATOM 1254 C LEU A 180 47.554 -12.769 49.634 1.00 13.30 C ATOM 1255 O LEU A 180 48.158 -13.575 48.915 1.00 14.94 O ATOM 1256 CB LEU A 180 49.453 -11.594 50.713 1.00 13.52 C ATOM 1257 CG LEU A 180 50.194 -11.106 51.949 1.00 14.01 C ATOM 1258 CD1 LEU A 180 51.338 -10.227 51.513 1.00 13.81 C ATOM 1259 CD2 LEU A 180 49.280 -10.366 52.908 1.00 14.73 C ATOM 1260 H LEU A 180 49.327 -13.874 51.935 1.00 0.00 H ATOM 1261 N LYS A 181 46.386 -12.223 49.298 1.00 12.77 N ATOM 1262 CA LYS A 181 45.704 -12.519 48.044 1.00 13.39 C ATOM 1263 C LYS A 181 45.693 -11.244 47.210 1.00 12.58 C ATOM 1264 O LYS A 181 45.001 -10.276 47.549 1.00 14.51 O ATOM 1265 CB LYS A 181 44.284 -13.005 48.319 1.00 16.88 C ATOM 1266 CG LYS A 181 44.199 -14.218 49.234 1.00 21.10 C ATOM 1267 CD LYS A 181 45.025 -15.385 48.714 1.00 25.87 C ATOM 1268 CE LYS A 181 45.202 -16.447 49.795 1.00 29.22 C ATOM 1269 NZ LYS A 181 45.766 -17.718 49.263 1.00 31.54 N ATOM 1270 HZ1 LYS A 181 45.127 -18.103 48.538 1.00 0.00 H ATOM 1271 HZ2 LYS A 181 46.698 -17.532 48.841 1.00 0.00 H ATOM 1272 HZ3 LYS A 181 45.865 -18.403 50.039 1.00 0.00 H ATOM 1273 H LYS A 181 45.941 -11.556 49.960 1.00 0.00 H ATOM 1274 N VAL A 182 46.462 -11.232 46.129 1.00 12.47 N ATOM 1275 CA VAL A 182 46.729 -10.005 45.383 1.00 11.69 C ATOM 1276 C VAL A 182 45.826 -9.952 44.157 1.00 11.78 C ATOM 1277 O VAL A 182 45.734 -10.923 43.396 1.00 12.92 O ATOM 1278 CB VAL A 182 48.213 -9.903 44.992 1.00 11.62 C ATOM 1279 CG1 VAL A 182 48.481 -8.566 44.349 1.00 11.97 C ATOM 1280 CG2 VAL A 182 49.105 -10.099 46.216 1.00 13.22 C ATOM 1281 H VAL A 182 46.888 -12.123 45.803 1.00 0.00 H ATOM 1282 N PHE A 183 45.174 -8.809 43.954 1.00 12.87 N ATOM 1283 CA PHE A 183 44.169 -8.643 42.914 1.00 13.21 C ATOM 1284 C PHE A 183 44.386 -7.321 42.193 1.00 12.81 C ATOM 1285 O PHE A 183 44.509 -6.273 42.836 1.00 11.59 O ATOM 1286 CB PHE A 183 42.771 -8.682 43.542 1.00 15.01 C ATOM 1287 CG PHE A 183 41.659 -8.488 42.562 1.00 16.79 C ATOM 1288 CD1 PHE A 183 41.310 -9.501 41.685 1.00 17.59 C ATOM 1289 CD2 PHE A 183 40.952 -7.300 42.521 1.00 17.50 C ATOM 1290 CE1 PHE A 183 40.277 -9.333 40.785 1.00 19.29 C ATOM 1291 CE2 PHE A 183 39.916 -7.127 41.626 1.00 19.23 C ATOM 1292 CZ PHE A 183 39.587 -8.142 40.754 1.00 19.84 C ATOM 1293 H PHE A 183 45.393 -7.998 44.567 1.00 0.00 H ATOM 1294 N TYR A 184 44.458 -7.378 40.860 1.00 13.61 N ATOM 1295 CA TYR A 184 44.484 -6.176 40.036 1.00 14.61 C ATOM 1296 C TYR A 184 43.054 -5.835 39.628 1.00 16.80 C ATOM 1297 O TYR A 184 42.450 -6.594 38.860 1.00 18.01 O ATOM 1298 CB TYR A 184 45.344 -6.390 38.799 1.00 15.91 C ATOM 1299 CG TYR A 184 45.279 -5.235 37.826 1.00 16.33 C ATOM 1300 CD1 TYR A 184 45.717 -3.973 38.197 1.00 15.92 C ATOM 1301 CD2 TYR A 184 44.771 -5.400 36.542 1.00 18.53 C ATOM 1302 CE1 TYR A 184 45.662 -2.903 37.323 1.00 18.23 C ATOM 1303 CE2 TYR A 184 44.712 -4.333 35.649 1.00 19.62 C ATOM 1304 CZ TYR A 184 45.158 -3.085 36.049 1.00 19.89 C ATOM 1305 OH TYR A 184 45.108 -2.018 35.181 1.00 21.46 O ATOM 1306 HH TYR A 184 45.464 -1.211 35.631 1.00 0.00 H ATOM 1307 H TYR A 184 44.497 -8.308 40.396 1.00 0.00 H ATOM 1308 N PRO A 185 42.483 -4.729 40.097 1.00 16.96 N ATOM 1309 CA PRO A 185 41.066 -4.441 39.838 1.00 18.04 C ATOM 1310 C PRO A 185 40.804 -3.676 38.553 1.00 20.13 C ATOM 1311 O PRO A 185 39.636 -3.407 38.250 1.00 21.43 O ATOM 1312 CB PRO A 185 40.698 -3.572 41.045 1.00 18.09 C ATOM 1313 CG PRO A 185 41.957 -2.786 41.301 1.00 16.79 C ATOM 1314 CD PRO A 185 43.094 -3.741 41.007 1.00 16.45 C ATOM 1315 N GLY A 186 41.844 -3.328 37.802 1.00 20.85 N ATOM 1316 CA GLY A 186 41.711 -2.433 36.679 1.00 21.03 C ATOM 1317 C GLY A 186 42.286 -1.067 37.000 1.00 22.51 C ATOM 1318 O GLY A 186 42.537 -0.730 38.161 1.00 21.67 O ATOM 1319 H GLY A 186 42.783 -3.713 38.031 1.00 0.00 H ATOM 1320 N PRO A 187 42.496 -0.247 35.972 1.00 23.50 N ATOM 1321 CA PRO A 187 43.078 1.080 36.206 1.00 23.27 C ATOM 1322 C PRO A 187 42.105 1.985 36.945 1.00 22.38 C ATOM 1323 O PRO A 187 40.894 1.955 36.711 1.00 23.71 O ATOM 1324 CB PRO A 187 43.368 1.597 34.791 1.00 23.98 C ATOM 1325 CG PRO A 187 42.485 0.810 33.901 1.00 25.99 C ATOM 1326 CD PRO A 187 42.272 -0.522 34.543 1.00 24.32 C ATOM 1327 N GLY A 188 42.648 2.777 37.868 1.00 21.90 N ATOM 1328 CA GLY A 188 41.840 3.662 38.679 1.00 20.69 C ATOM 1329 C GLY A 188 42.639 4.845 39.176 1.00 19.98 C ATOM 1330 O GLY A 188 42.873 5.797 38.425 1.00 20.11 O ATOM 1331 H GLY A 188 43.678 2.759 38.009 1.00 0.00 H ATOM 1332 N HIS A 189 43.050 4.808 40.446 1.00 18.38 N ATOM 1333 CA HIS A 189 43.956 5.831 40.952 1.00 17.81 C ATOM 1334 C HIS A 189 45.199 5.923 40.078 1.00 17.83 C ATOM 1335 O HIS A 189 45.681 7.021 39.775 1.00 17.80 O ATOM 1336 CB HIS A 189 44.330 5.521 42.399 1.00 16.85 C ATOM 1337 CG HIS A 189 45.497 6.309 42.903 1.00 16.24 C ATOM 1338 ND1 HIS A 189 45.399 7.641 43.245 1.00 16.20 N ATOM 1339 CD2 HIS A 189 46.790 5.961 43.113 1.00 15.11 C ATOM 1340 CE1 HIS A 189 46.579 8.078 43.646 1.00 15.35 C ATOM 1341 NE2 HIS A 189 47.438 7.075 43.590 1.00 15.57 N ATOM 1342 H HIS A 189 42.723 4.047 41.075 1.00 0.00 H ATOM 1343 N THR A 190 45.731 4.774 39.667 1.00 17.87 N ATOM 1344 CA THR A 190 46.729 4.699 38.613 1.00 17.41 C ATOM 1345 C THR A 190 46.412 3.492 37.745 1.00 18.35 C ATOM 1346 O THR A 190 45.564 2.659 38.078 1.00 18.41 O ATOM 1347 CB THR A 190 48.153 4.539 39.157 1.00 16.20 C ATOM 1348 OG1 THR A 190 48.230 3.329 39.923 1.00 15.27 O ATOM 1349 CG2 THR A 190 48.555 5.711 40.030 1.00 16.64 C ATOM 1350 HG1 THR A 190 49.148 3.221 40.277 1.00 0.00 H ATOM 1351 H THR A 190 45.419 3.891 40.120 1.00 0.00 H ATOM 1352 N SER A 191 47.127 3.385 36.627 1.00 18.74 N ATOM 1353 CA SER A 191 46.935 2.233 35.760 1.00 19.75 C ATOM 1354 C SER A 191 47.498 0.957 36.362 1.00 18.11 C ATOM 1355 O SER A 191 47.059 -0.130 35.977 1.00 19.13 O ATOM 1356 CB SER A 191 47.580 2.481 34.403 1.00 22.28 C ATOM 1357 OG SER A 191 46.844 3.457 33.694 1.00 25.14 O ATOM 1358 HG SER A 191 46.834 4.301 34.211 1.00 0.00 H ATOM 1359 H SER A 191 47.818 4.120 36.375 1.00 0.00 H ATOM 1360 N ASP A 192 48.454 1.065 37.285 1.00 14.96 N ATOM 1361 CA ASP A 192 49.126 -0.095 37.854 1.00 14.19 C ATOM 1362 C ASP A 192 48.633 -0.476 39.247 1.00 13.25 C ATOM 1363 O ASP A 192 49.147 -1.447 39.820 1.00 13.44 O ATOM 1364 CB ASP A 192 50.649 0.120 37.873 1.00 15.23 C ATOM 1365 CG ASP A 192 51.072 1.305 38.724 1.00 14.60 C ATOM 1366 OD1 ASP A 192 50.402 2.354 38.682 1.00 14.54 O ATOM 1367 OD2 ASP A 192 52.090 1.197 39.436 1.00 13.46 O ATOM 1368 H ASP A 192 48.730 2.013 37.611 1.00 0.00 H ATOM 1369 N ASN A 193 47.652 0.239 39.805 1.00 13.20 N ATOM 1370 CA ASN A 193 47.265 -0.019 41.192 1.00 12.59 C ATOM 1371 C ASN A 193 46.801 -1.459 41.414 1.00 11.58 C ATOM 1372 O ASN A 193 46.034 -2.017 40.625 1.00 13.07 O ATOM 1373 CB ASN A 193 46.235 1.007 41.723 1.00 13.61 C ATOM 1374 CG ASN A 193 44.998 1.218 40.828 1.00 15.80 C ATOM 1375 OD1 ASN A 193 44.385 2.293 40.898 1.00 16.06 O ATOM 1376 ND2 ASN A 193 44.597 0.211 40.051 1.00 15.72 N ATOM 1377 HD22 ASN A 193 45.143 -0.674 40.024 1.00 0.00 H ATOM 1378 HD21 ASN A 193 43.738 0.311 39.473 1.00 0.00 H ATOM 1379 H ASN A 193 47.166 0.976 39.256 1.00 0.00 H ATOM 1380 N ILE A 194 47.284 -2.067 42.503 1.00 10.17 N ATOM 1381 CA ILE A 194 46.868 -3.409 42.892 1.00 10.25 C ATOM 1382 C ILE A 194 46.365 -3.372 44.332 1.00 9.84 C ATOM 1383 O ILE A 194 46.568 -2.402 45.058 1.00 11.00 O ATOM 1384 CB ILE A 194 47.970 -4.474 42.690 1.00 11.23 C ATOM 1385 CG1 ILE A 194 49.237 -4.117 43.469 1.00 10.70 C ATOM 1386 CG2 ILE A 194 48.293 -4.584 41.216 1.00 12.00 C ATOM 1387 CD1 ILE A 194 50.261 -5.267 43.528 1.00 11.20 C ATOM 1388 H ILE A 194 47.979 -1.566 43.092 1.00 0.00 H ATOM 1389 N THR A 195 45.685 -4.445 44.732 1.00 10.24 N ATOM 1390 CA THR A 195 45.000 -4.518 46.015 1.00 11.01 C ATOM 1391 C THR A 195 45.309 -5.864 46.655 1.00 10.52 C ATOM 1392 O THR A 195 45.729 -6.800 45.974 1.00 11.23 O ATOM 1393 CB THR A 195 43.475 -4.342 45.846 1.00 12.56 C ATOM 1394 OG1 THR A 195 42.933 -5.431 45.083 1.00 13.67 O ATOM 1395 CG2 THR A 195 43.168 -3.026 45.130 1.00 13.63 C ATOM 1396 HG1 THR A 195 43.359 -5.451 44.190 1.00 0.00 H ATOM 1397 H THR A 195 45.641 -5.269 44.099 1.00 0.00 H ATOM 1398 N VAL A 196 45.125 -5.958 47.972 1.00 10.48 N ATOM 1399 CA VAL A 196 45.548 -7.144 48.714 1.00 11.19 C ATOM 1400 C VAL A 196 44.516 -7.485 49.780 1.00 12.51 C ATOM 1401 O VAL A 196 44.182 -6.643 50.614 1.00 13.57 O ATOM 1402 CB VAL A 196 46.924 -6.937 49.377 1.00 11.58 C ATOM 1403 CG1 VAL A 196 47.382 -8.217 50.031 1.00 12.82 C ATOM 1404 CG2 VAL A 196 47.962 -6.464 48.367 1.00 13.20 C ATOM 1405 H VAL A 196 44.672 -5.172 48.481 1.00 0.00 H ATOM 1406 N GLY A 197 44.030 -8.719 49.774 1.00 12.95 N ATOM 1407 CA GLY A 197 43.217 -9.226 50.863 1.00 14.36 C ATOM 1408 C GLY A 197 44.058 -10.122 51.754 1.00 13.74 C ATOM 1409 O GLY A 197 45.052 -10.695 51.315 1.00 13.36 O ATOM 1410 H GLY A 197 44.238 -9.340 48.966 1.00 0.00 H ATOM 1411 N ILE A 198 43.671 -10.230 53.019 1.00 13.69 N ATOM 1412 CA ILE A 198 44.396 -11.062 53.974 1.00 14.49 C ATOM 1413 C ILE A 198 43.499 -12.238 54.342 1.00 16.04 C ATOM 1414 O ILE A 198 42.559 -12.097 55.133 1.00 16.42 O ATOM 1415 CB ILE A 198 44.842 -10.276 55.210 1.00 15.73 C ATOM 1416 CG1 ILE A 198 45.629 -9.034 54.789 1.00 17.39 C ATOM 1417 CG2 ILE A 198 45.671 -11.170 56.112 1.00 16.70 C ATOM 1418 CD1 ILE A 198 46.058 -8.175 55.937 1.00 18.71 C ATOM 1419 H ILE A 198 42.830 -9.708 53.338 1.00 0.00 H ATOM 1420 N ASP A 199 43.794 -13.408 53.776 1.00 17.46 N ATOM 1421 CA ASP A 199 43.005 -14.603 54.058 1.00 21.17 C ATOM 1422 C ASP A 199 43.018 -14.897 55.554 1.00 23.26 C ATOM 1423 O ASP A 199 44.019 -14.673 56.241 1.00 24.79 O ATOM 1424 CB ASP A 199 43.579 -15.794 53.281 1.00 24.96 C ATOM 1425 CG ASP A 199 42.528 -16.846 52.920 1.00 30.02 C ATOM 1426 OD1 ASP A 199 41.313 -16.589 53.064 1.00 31.70 O ATOM 1427 OD2 ASP A 199 42.930 -17.943 52.482 1.00 32.13 O ATOM 1428 H ASP A 199 44.600 -13.471 53.122 1.00 0.00 H ATOM 1429 N GLY A 200 41.890 -15.380 56.064 1.00 24.83 N ATOM 1430 CA GLY A 200 41.757 -15.635 57.483 1.00 26.10 C ATOM 1431 C GLY A 200 41.398 -14.426 58.317 1.00 26.74 C ATOM 1432 O GLY A 200 41.260 -14.555 59.541 1.00 30.29 O ATOM 1433 H GLY A 200 41.088 -15.578 55.432 1.00 0.00 H ATOM 1434 N THR A 201 41.256 -13.256 57.703 1.00 24.31 N ATOM 1435 CA THR A 201 40.821 -12.048 58.383 1.00 22.52 C ATOM 1436 C THR A 201 39.663 -11.443 57.604 1.00 22.83 C ATOM 1437 O THR A 201 39.320 -11.891 56.508 1.00 22.65 O ATOM 1438 CB THR A 201 41.946 -11.009 58.447 1.00 20.30 C ATOM 1439 OG1 THR A 201 42.056 -10.362 57.173 1.00 18.15 O ATOM 1440 CG2 THR A 201 43.276 -11.654 58.814 1.00 21.06 C ATOM 1441 HG1 THR A 201 42.263 -11.036 56.478 1.00 0.00 H ATOM 1442 H THR A 201 41.467 -13.202 56.686 1.00 0.00 H ATOM 1443 N ASP A 202 39.078 -10.389 58.169 1.00 22.17 N ATOM 1444 CA ASP A 202 38.047 -9.622 57.487 1.00 23.03 C ATOM 1445 C ASP A 202 38.604 -8.384 56.790 1.00 20.44 C ATOM 1446 O ASP A 202 37.851 -7.439 56.534 1.00 20.68 O ATOM 1447 CB ASP A 202 36.910 -9.253 58.451 1.00 26.11 C ATOM 1448 CG ASP A 202 37.368 -8.375 59.614 1.00 29.03 C ATOM 1449 OD1 ASP A 202 38.544 -7.955 59.653 1.00 30.59 O ATOM 1450 OD2 ASP A 202 36.526 -8.088 60.496 1.00 31.16 O ATOM 1451 H ASP A 202 39.367 -10.105 59.127 1.00 0.00 H ATOM 1452 N ILE A 203 39.896 -8.383 56.461 1.00 18.25 N ATOM 1453 CA ILE A 203 40.610 -7.186 56.031 1.00 16.09 C ATOM 1454 C ILE A 203 40.917 -7.287 54.546 1.00 16.16 C ATOM 1455 O ILE A 203 41.407 -8.320 54.074 1.00 16.47 O ATOM 1456 CB ILE A 203 41.916 -7.002 56.823 1.00 16.26 C ATOM 1457 CG1 ILE A 203 41.619 -6.811 58.309 1.00 17.88 C ATOM 1458 CG2 ILE A 203 42.727 -5.830 56.270 1.00 16.48 C ATOM 1459 CD1 ILE A 203 42.854 -6.839 59.172 1.00 18.59 C ATOM 1460 H ILE A 203 40.420 -9.280 56.514 1.00 0.00 H ATOM 1461 N ALA A 204 40.654 -6.205 53.817 1.00 15.69 N ATOM 1462 CA ALA A 204 41.142 -6.039 52.456 1.00 15.48 C ATOM 1463 C ALA A 204 41.719 -4.639 52.327 1.00 14.34 C ATOM 1464 O ALA A 204 41.199 -3.688 52.921 1.00 15.48 O ATOM 1465 CB ALA A 204 40.040 -6.237 51.416 1.00 17.23 C ATOM 1466 H ALA A 204 40.077 -5.448 54.236 1.00 0.00 H ATOM 1467 N PHE A 205 42.795 -4.522 51.557 1.00 13.17 N ATOM 1468 CA PHE A 205 43.560 -3.289 51.420 1.00 12.31 C ATOM 1469 C PHE A 205 43.388 -2.743 50.005 1.00 11.19 C ATOM 1470 O PHE A 205 43.787 -3.389 49.029 1.00 11.41 O ATOM 1471 CB PHE A 205 45.036 -3.558 51.695 1.00 12.35 C ATOM 1472 CG PHE A 205 45.898 -2.336 51.603 1.00 11.00 C ATOM 1473 CD1 PHE A 205 45.816 -1.352 52.568 1.00 12.37 C ATOM 1474 CD2 PHE A 205 46.809 -2.179 50.561 1.00 12.39 C ATOM 1475 CE1 PHE A 205 46.608 -0.229 52.504 1.00 12.82 C ATOM 1476 CE2 PHE A 205 47.613 -1.049 50.497 1.00 11.75 C ATOM 1477 CZ PHE A 205 47.510 -0.078 51.476 1.00 11.82 C ATOM 1478 H PHE A 205 43.109 -5.357 51.022 1.00 0.00 H ATOM 1479 N GLY A 206 42.816 -1.550 49.895 1.00 12.27 N ATOM 1480 CA GLY A 206 42.601 -0.952 48.597 1.00 13.89 C ATOM 1481 C GLY A 206 43.661 0.041 48.167 1.00 13.67 C ATOM 1482 O GLY A 206 43.626 0.519 47.031 1.00 14.77 O ATOM 1483 H GLY A 206 42.520 -1.040 50.752 1.00 0.00 H ATOM 1484 N GLY A 207 44.606 0.363 49.049 1.00 13.46 N ATOM 1485 CA GLY A 207 45.655 1.303 48.678 1.00 13.29 C ATOM 1486 C GLY A 207 45.065 2.653 48.327 1.00 13.45 C ATOM 1487 O GLY A 207 44.119 3.126 48.963 1.00 15.97 O ATOM 1488 H GLY A 207 44.595 -0.056 50.001 1.00 0.00 H ATOM 1489 N CYS A 208 45.617 3.287 47.296 1.00 14.42 N ATOM 1490 CA CYS A 208 45.098 4.598 46.923 1.00 16.26 C ATOM 1491 C CYS A 208 43.863 4.531 46.035 1.00 15.83 C ATOM 1492 O CYS A 208 43.316 5.583 45.682 1.00 17.33 O ATOM 1493 CB CYS A 208 46.173 5.481 46.291 1.00 17.69 C ATOM 1494 SG CYS A 208 47.595 5.850 47.330 1.00 15.43 S ATOM 1495 H CYS A 208 46.402 2.857 46.767 1.00 0.00 H ATOM 1496 N LEU A 209 43.407 3.334 45.669 1.00 16.21 N ATOM 1497 CA LEU A 209 42.197 3.227 44.862 1.00 17.06 C ATOM 1498 C LEU A 209 40.964 3.659 45.648 1.00 18.27 C ATOM 1499 O LEU A 209 40.055 4.287 45.092 1.00 19.42 O ATOM 1500 CB LEU A 209 42.041 1.784 44.383 1.00 16.79 C ATOM 1501 CG LEU A 209 40.779 1.462 43.575 1.00 17.96 C ATOM 1502 CD1 LEU A 209 40.853 2.133 42.215 1.00 19.07 C ATOM 1503 CD2 LEU A 209 40.594 -0.049 43.451 1.00 18.01 C ATOM 1504 H LEU A 209 43.915 2.474 45.959 1.00 0.00 H ATOM 1505 N ILE A 210 40.914 3.331 46.937 1.00 18.35 N ATOM 1506 CA ILE A 210 39.707 3.472 47.743 1.00 18.95 C ATOM 1507 C ILE A 210 39.874 4.635 48.708 1.00 19.96 C ATOM 1508 O ILE A 210 40.919 4.771 49.359 1.00 19.76 O ATOM 1509 CB ILE A 210 39.395 2.167 48.505 1.00 19.33 C ATOM 1510 CG1 ILE A 210 39.209 1.003 47.524 1.00 19.47 C ATOM 1511 CG2 ILE A 210 38.154 2.331 49.386 1.00 19.81 C ATOM 1512 CD1 ILE A 210 38.083 1.220 46.528 1.00 19.26 C ATOM 1513 H ILE A 210 41.773 2.958 47.389 1.00 0.00 H ATOM 1514 N LYS A 211 38.838 5.466 48.803 1.00 21.27 N ATOM 1515 CA LYS A 211 38.758 6.522 49.799 1.00 22.22 C ATOM 1516 C LYS A 211 37.670 6.189 50.813 1.00 23.27 C ATOM 1517 O LYS A 211 36.788 5.362 50.563 1.00 23.54 O ATOM 1518 CB LYS A 211 38.439 7.867 49.144 1.00 23.85 C ATOM 1519 CG LYS A 211 39.153 8.097 47.839 1.00 25.35 C ATOM 1520 CD LYS A 211 40.653 8.083 48.030 1.00 25.40 C ATOM 1521 CE LYS A 211 41.368 8.104 46.698 1.00 26.00 C ATOM 1522 NZ LYS A 211 42.849 8.093 46.860 1.00 26.20 N ATOM 1523 HZ1 LYS A 211 43.144 8.931 47.401 1.00 0.00 H ATOM 1524 HZ2 LYS A 211 43.134 7.232 47.369 1.00 0.00 H ATOM 1525 HZ3 LYS A 211 43.299 8.108 45.923 1.00 0.00 H ATOM 1526 H LYS A 211 38.050 5.355 48.134 1.00 0.00 H ATOM 1527 N ASP A 212 37.731 6.858 51.963 1.00 26.28 N ATOM 1528 CA ASP A 212 36.790 6.565 53.031 1.00 29.24 C ATOM 1529 C ASP A 212 35.378 7.023 52.655 1.00 30.31 C ATOM 1530 O ASP A 212 35.163 7.762 51.689 1.00 29.22 O ATOM 1531 CB ASP A 212 37.259 7.174 54.354 1.00 31.68 C ATOM 1532 CG ASP A 212 37.161 8.688 54.371 1.00 34.39 C ATOM 1533 OD1 ASP A 212 36.061 9.214 54.627 1.00 35.25 O ATOM 1534 OD2 ASP A 212 38.191 9.352 54.139 1.00 37.42 O ATOM 1535 H ASP A 212 38.455 7.593 52.097 1.00 0.00 H ATOM 1536 N SER A 213 34.403 6.558 53.439 1.00 32.31 N ATOM 1537 CA SER A 213 33.000 6.788 53.109 1.00 35.49 C ATOM 1538 C SER A 213 32.592 8.250 53.240 1.00 37.25 C ATOM 1539 O SER A 213 31.550 8.637 52.698 1.00 38.39 O ATOM 1540 CB SER A 213 32.102 5.901 53.973 1.00 36.97 C ATOM 1541 OG SER A 213 32.347 6.108 55.355 1.00 38.17 O ATOM 1542 HG SER A 213 33.292 5.892 55.557 1.00 0.00 H ATOM 1543 H SER A 213 34.647 6.024 54.298 1.00 0.00 H ATOM 1544 N LYS A 214 33.376 9.068 53.940 1.00 38.14 N ATOM 1545 CA LYS A 214 33.087 10.490 54.075 1.00 40.26 C ATOM 1546 C LYS A 214 34.041 11.362 53.268 1.00 38.75 C ATOM 1547 O LYS A 214 34.031 12.587 53.425 1.00 38.85 O ATOM 1548 CB LYS A 214 33.083 10.907 55.549 1.00 43.39 C ATOM 1549 CG LYS A 214 32.281 9.987 56.465 1.00 45.90 C ATOM 1550 CD LYS A 214 30.816 10.397 56.540 1.00 47.88 C ATOM 1551 CE LYS A 214 29.957 9.608 55.557 1.00 49.31 C ATOM 1552 NZ LYS A 214 28.518 9.986 55.633 1.00 50.04 N ATOM 1553 HZ1 LYS A 214 28.162 9.801 56.593 1.00 0.00 H ATOM 1554 HZ2 LYS A 214 28.414 10.997 55.413 1.00 0.00 H ATOM 1555 HZ3 LYS A 214 27.976 9.423 54.947 1.00 0.00 H ATOM 1556 H LYS A 214 34.221 8.680 54.405 1.00 0.00 H ATOM 1557 N ALA A 215 34.857 10.763 52.403 1.00 37.56 N ATOM 1558 CA ALA A 215 35.807 11.534 51.617 1.00 36.54 C ATOM 1559 C ALA A 215 35.076 12.424 50.620 1.00 36.70 C ATOM 1560 O ALA A 215 34.018 12.069 50.093 1.00 37.07 O ATOM 1561 CB ALA A 215 36.752 10.596 50.866 1.00 35.59 C ATOM 1562 H ALA A 215 34.814 9.730 52.288 1.00 0.00 H ATOM 1563 N LYS A 216 35.666 13.585 50.347 1.00 37.30 N ATOM 1564 CA LYS A 216 35.053 14.560 49.456 1.00 38.67 C ATOM 1565 C LYS A 216 35.649 14.563 48.056 1.00 37.15 C ATOM 1566 O LYS A 216 35.012 15.077 47.131 1.00 38.17 O ATOM 1567 CB LYS A 216 35.151 15.965 50.064 1.00 42.24 C ATOM 1568 CG LYS A 216 34.985 15.964 51.577 1.00 45.81 C ATOM 1569 CD LYS A 216 33.991 17.016 52.038 1.00 48.25 C ATOM 1570 CE LYS A 216 34.547 18.419 51.876 1.00 49.84 C ATOM 1571 NZ LYS A 216 34.016 19.357 52.910 1.00 50.67 N ATOM 1572 HZ1 LYS A 216 32.980 19.407 52.831 1.00 0.00 H ATOM 1573 HZ2 LYS A 216 34.277 19.012 53.856 1.00 0.00 H ATOM 1574 HZ3 LYS A 216 34.423 20.302 52.760 1.00 0.00 H ATOM 1575 H LYS A 216 36.586 13.801 50.780 1.00 0.00 H ATOM 1576 N SER A 217 36.841 13.997 47.869 1.00 35.70 N ATOM 1577 CA SER A 217 37.444 13.937 46.549 1.00 34.13 C ATOM 1578 C SER A 217 38.183 12.617 46.411 1.00 32.42 C ATOM 1579 O SER A 217 38.378 11.885 47.384 1.00 32.51 O ATOM 1580 CB SER A 217 38.360 15.138 46.274 1.00 34.80 C ATOM 1581 OG SER A 217 39.668 14.921 46.769 1.00 34.91 O ATOM 1582 HG SER A 217 40.229 15.713 46.574 1.00 0.00 H ATOM 1583 H SER A 217 37.348 13.592 48.682 1.00 0.00 H ATOM 1584 N LEU A 218 38.556 12.299 45.177 1.00 31.35 N ATOM 1585 CA LEU A 218 39.375 11.130 44.893 1.00 30.02 C ATOM 1586 C LEU A 218 40.863 11.427 44.997 1.00 29.20 C ATOM 1587 O LEU A 218 41.684 10.607 44.575 1.00 29.12 O ATOM 1588 CB LEU A 218 39.027 10.558 43.517 1.00 30.52 C ATOM 1589 CG LEU A 218 37.635 9.925 43.450 1.00 30.07 C ATOM 1590 CD1 LEU A 218 37.181 9.761 42.008 1.00 30.34 C ATOM 1591 CD2 LEU A 218 37.606 8.584 44.180 1.00 30.01 C ATOM 1592 H LEU A 218 38.253 12.905 44.388 1.00 0.00 H ATOM 1593 N GLY A 219 41.227 12.583 45.546 1.00 29.12 N ATOM 1594 CA GLY A 219 42.619 12.889 45.797 1.00 28.66 C ATOM 1595 C GLY A 219 43.415 13.193 44.548 1.00 27.58 C ATOM 1596 O GLY A 219 42.963 13.947 43.681 1.00 27.82 O ATOM 1597 H GLY A 219 40.498 13.280 45.799 1.00 0.00 H ATOM 1598 N ASN A 220 44.604 12.605 44.441 1.00 25.80 N ATOM 1599 CA ASN A 220 45.499 12.879 43.323 1.00 25.33 C ATOM 1600 C ASN A 220 45.070 12.053 42.118 1.00 25.56 C ATOM 1601 O ASN A 220 45.277 10.834 42.085 1.00 25.32 O ATOM 1602 CB ASN A 220 46.939 12.561 43.700 1.00 25.38 C ATOM 1603 CG ASN A 220 47.866 12.644 42.515 1.00 25.19 C ATOM 1604 OD1 ASN A 220 47.669 13.474 41.621 1.00 26.26 O ATOM 1605 ND2 ASN A 220 48.881 11.782 42.488 1.00 24.69 N ATOM 1606 HD22 ASN A 220 49.006 11.101 43.264 1.00 0.00 H ATOM 1607 HD21 ASN A 220 49.549 11.790 41.691 1.00 0.00 H ATOM 1608 H ASN A 220 44.903 11.932 45.175 1.00 0.00 H ATOM 1609 N LEU A 221 44.490 12.720 41.125 1.00 26.35 N ATOM 1610 CA LEU A 221 44.062 12.088 39.887 1.00 27.67 C ATOM 1611 C LEU A 221 45.055 12.306 38.751 1.00 27.14 C ATOM 1612 O LEU A 221 44.726 12.026 37.594 1.00 27.21 O ATOM 1613 CB LEU A 221 42.673 12.595 39.493 1.00 30.07 C ATOM 1614 CG LEU A 221 41.539 12.233 40.456 1.00 31.60 C ATOM 1615 CD1 LEU A 221 40.275 12.986 40.094 1.00 32.52 C ATOM 1616 CD2 LEU A 221 41.276 10.734 40.473 1.00 32.15 C ATOM 1617 H LEU A 221 44.335 13.742 41.239 1.00 0.00 H ATOM 1618 N GLY A 222 46.265 12.784 39.059 1.00 26.25 N ATOM 1619 CA GLY A 222 47.214 13.115 38.006 1.00 26.06 C ATOM 1620 C GLY A 222 47.554 11.942 37.105 1.00 25.21 C ATOM 1621 O GLY A 222 47.771 12.113 35.904 1.00 25.57 O ATOM 1622 H GLY A 222 46.529 12.920 40.056 1.00 0.00 H ATOM 1623 N ASP A 223 47.611 10.736 37.668 1.00 22.97 N ATOM 1624 CA ASP A 223 47.901 9.530 36.901 1.00 21.37 C ATOM 1625 C ASP A 223 46.693 8.605 36.805 1.00 21.76 C ATOM 1626 O ASP A 223 46.840 7.420 36.483 1.00 21.19 O ATOM 1627 CB ASP A 223 49.109 8.795 37.484 1.00 21.12 C ATOM 1628 CG ASP A 223 50.397 9.568 37.311 1.00 22.22 C ATOM 1629 OD1 ASP A 223 50.659 10.053 36.190 1.00 24.38 O ATOM 1630 OD2 ASP A 223 51.146 9.706 38.294 1.00 21.49 O ATOM 1631 H ASP A 223 47.443 10.652 38.691 1.00 0.00 H ATOM 1632 N ALA A 224 45.501 9.125 37.064 1.00 22.71 N ATOM 1633 CA ALA A 224 44.317 8.291 37.166 1.00 23.98 C ATOM 1634 C ALA A 224 43.731 7.973 35.793 1.00 26.01 C ATOM 1635 O ALA A 224 43.921 8.702 34.815 1.00 26.41 O ATOM 1636 CB ALA A 224 43.256 8.978 38.026 1.00 25.07 C ATOM 1637 H ALA A 224 45.412 10.153 37.197 1.00 0.00 H ATOM 1638 N ASP A 225 42.998 6.864 35.742 1.00 27.41 N ATOM 1639 CA ASP A 225 42.196 6.480 34.583 1.00 30.45 C ATOM 1640 C ASP A 225 40.760 6.856 34.932 1.00 32.33 C ATOM 1641 O ASP A 225 40.029 6.089 35.560 1.00 32.11 O ATOM 1642 CB ASP A 225 42.344 4.987 34.314 1.00 31.59 C ATOM 1643 CG ASP A 225 41.635 4.542 33.044 1.00 32.30 C ATOM 1644 OD1 ASP A 225 40.518 5.026 32.768 1.00 33.14 O ATOM 1645 OD2 ASP A 225 42.203 3.702 32.318 1.00 33.00 O ATOM 1646 H ASP A 225 42.996 6.237 36.572 1.00 0.00 H ATOM 1647 N THR A 226 40.356 8.060 34.523 1.00 34.36 N ATOM 1648 CA THR A 226 39.046 8.568 34.917 1.00 36.87 C ATOM 1649 C THR A 226 37.911 7.753 34.310 1.00 38.31 C ATOM 1650 O THR A 226 36.838 7.644 34.915 1.00 39.99 O ATOM 1651 CB THR A 226 38.922 10.042 34.536 1.00 38.41 C ATOM 1652 OG1 THR A 226 39.013 10.176 33.112 1.00 38.92 O ATOM 1653 CG2 THR A 226 40.033 10.855 35.194 1.00 39.02 C ATOM 1654 HG1 THR A 226 38.933 11.132 32.866 1.00 0.00 H ATOM 1655 H THR A 226 40.977 8.638 33.921 1.00 0.00 H ATOM 1656 N GLU A 227 38.124 7.170 33.131 1.00 37.61 N ATOM 1657 CA GLU A 227 37.058 6.400 32.499 1.00 39.00 C ATOM 1658 C GLU A 227 36.769 5.115 33.265 1.00 36.77 C ATOM 1659 O GLU A 227 35.602 4.757 33.464 1.00 36.95 O ATOM 1660 CB GLU A 227 37.418 6.093 31.046 1.00 42.13 C ATOM 1661 CG GLU A 227 36.815 4.800 30.517 1.00 45.68 C ATOM 1662 CD GLU A 227 36.663 4.797 29.011 1.00 48.37 C ATOM 1663 OE1 GLU A 227 37.640 5.152 28.317 1.00 49.65 O ATOM 1664 OE2 GLU A 227 35.572 4.431 28.521 1.00 49.10 O ATOM 1665 H GLU A 227 39.048 7.264 32.662 1.00 0.00 H ATOM 1666 N HIS A 228 37.813 4.418 33.719 1.00 34.97 N ATOM 1667 CA HIS A 228 37.661 3.088 34.293 1.00 34.26 C ATOM 1668 C HIS A 228 37.685 3.067 35.815 1.00 32.33 C ATOM 1669 O HIS A 228 37.466 1.998 36.398 1.00 32.30 O ATOM 1670 CB HIS A 228 38.753 2.150 33.761 1.00 35.48 C ATOM 1671 CG HIS A 228 38.740 1.995 32.273 1.00 36.41 C ATOM 1672 ND1 HIS A 228 39.603 2.678 31.445 1.00 36.64 N ATOM 1673 CD2 HIS A 228 37.959 1.242 31.462 1.00 36.86 C ATOM 1674 CE1 HIS A 228 39.361 2.348 30.189 1.00 36.45 C ATOM 1675 NE2 HIS A 228 38.366 1.479 30.172 1.00 36.63 N ATOM 1676 H HIS A 228 38.763 4.837 33.661 1.00 0.00 H ATOM 1677 N TYR A 229 37.938 4.209 36.464 1.00 30.43 N ATOM 1678 CA TYR A 229 38.092 4.241 37.918 1.00 29.42 C ATOM 1679 C TYR A 229 36.902 3.601 38.628 1.00 28.20 C ATOM 1680 O TYR A 229 37.076 2.757 39.518 1.00 28.97 O ATOM 1681 CB TYR A 229 38.299 5.688 38.377 1.00 27.92 C ATOM 1682 CG TYR A 229 38.931 5.871 39.749 1.00 26.24 C ATOM 1683 CD1 TYR A 229 38.498 5.144 40.853 1.00 26.37 C ATOM 1684 CD2 TYR A 229 39.957 6.791 39.941 1.00 25.84 C ATOM 1685 CE1 TYR A 229 39.074 5.320 42.105 1.00 25.14 C ATOM 1686 CE2 TYR A 229 40.531 6.978 41.188 1.00 24.72 C ATOM 1687 CZ TYR A 229 40.090 6.234 42.267 1.00 24.27 C ATOM 1688 OH TYR A 229 40.654 6.411 43.516 1.00 23.52 O ATOM 1689 HH TYR A 229 40.219 5.800 44.163 1.00 0.00 H ATOM 1690 H TYR A 229 38.027 5.093 35.923 1.00 0.00 H ATOM 1691 N ALA A 230 35.681 3.990 38.248 1.00 29.62 N ATOM 1692 CA ALA A 230 34.504 3.501 38.958 1.00 29.91 C ATOM 1693 C ALA A 230 34.386 1.984 38.873 1.00 30.24 C ATOM 1694 O ALA A 230 34.111 1.318 39.879 1.00 30.74 O ATOM 1695 CB ALA A 230 33.244 4.176 38.414 1.00 30.46 C ATOM 1696 H ALA A 230 35.570 4.642 37.445 1.00 0.00 H ATOM 1697 N ALA A 231 34.595 1.417 37.684 1.00 30.49 N ATOM 1698 CA ALA A 231 34.506 -0.032 37.536 1.00 30.33 C ATOM 1699 C ALA A 231 35.589 -0.736 38.346 1.00 28.68 C ATOM 1700 O ALA A 231 35.340 -1.783 38.957 1.00 28.50 O ATOM 1701 CB ALA A 231 34.599 -0.416 36.059 1.00 30.85 C ATOM 1702 H ALA A 231 34.822 2.009 36.860 1.00 0.00 H ATOM 1703 N SER A 232 36.799 -0.170 38.368 1.00 26.84 N ATOM 1704 CA SER A 232 37.897 -0.782 39.106 1.00 25.37 C ATOM 1705 C SER A 232 37.617 -0.803 40.601 1.00 24.62 C ATOM 1706 O SER A 232 37.903 -1.798 41.277 1.00 23.65 O ATOM 1707 CB SER A 232 39.201 -0.051 38.792 1.00 24.51 C ATOM 1708 OG SER A 232 39.427 -0.080 37.391 1.00 24.41 O ATOM 1709 HG SER A 232 40.272 0.393 37.184 1.00 0.00 H ATOM 1710 H SER A 232 36.960 0.719 37.852 1.00 0.00 H ATOM 1711 N ALA A 233 37.044 0.279 41.134 1.00 24.89 N ATOM 1712 CA ALA A 233 36.683 0.293 42.547 1.00 26.36 C ATOM 1713 C ALA A 233 35.651 -0.785 42.860 1.00 26.47 C ATOM 1714 O ALA A 233 35.753 -1.476 43.879 1.00 25.71 O ATOM 1715 CB ALA A 233 36.174 1.676 42.952 1.00 26.85 C ATOM 1716 H ALA A 233 36.855 1.112 40.541 1.00 0.00 H ATOM 1717 N ARG A 234 34.655 -0.953 41.986 1.00 28.13 N ATOM 1718 CA ARG A 234 33.659 -1.996 42.207 1.00 28.74 C ATOM 1719 C ARG A 234 34.260 -3.389 42.067 1.00 28.08 C ATOM 1720 O ARG A 234 33.877 -4.304 42.804 1.00 28.97 O ATOM 1721 CB ARG A 234 32.463 -1.806 41.268 1.00 30.16 C ATOM 1722 CG ARG A 234 31.749 -0.471 41.461 1.00 31.89 C ATOM 1723 CD ARG A 234 30.299 -0.495 40.983 1.00 34.34 C ATOM 1724 NE ARG A 234 29.569 0.647 41.527 1.00 35.60 N ATOM 1725 CZ ARG A 234 29.433 1.815 40.907 1.00 36.29 C ATOM 1726 NH1 ARG A 234 29.961 2.001 39.705 1.00 36.63 N ATOM 1727 NH2 ARG A 234 28.767 2.799 41.490 1.00 36.92 N ATOM 1728 HE ARG A 234 29.126 0.539 42.462 1.00 0.00 H ATOM 1729 HH12 ARG A 234 29.851 2.917 39.225 1.00 0.00 H ATOM 1730 HH11 ARG A 234 30.485 1.231 39.242 1.00 0.00 H ATOM 1731 HH22 ARG A 234 28.660 3.713 41.006 1.00 0.00 H ATOM 1732 HH21 ARG A 234 28.351 2.658 42.432 1.00 0.00 H ATOM 1733 H ARG A 234 34.589 -0.340 41.148 1.00 0.00 H ATOM 1734 N ALA A 235 35.222 -3.565 41.158 1.00 26.65 N ATOM 1735 CA ALA A 235 35.850 -4.873 41.009 1.00 25.88 C ATOM 1736 C ALA A 235 36.615 -5.265 42.269 1.00 24.18 C ATOM 1737 O ALA A 235 36.626 -6.438 42.658 1.00 23.52 O ATOM 1738 CB ALA A 235 36.754 -4.887 39.777 1.00 27.07 C ATOM 1739 H ALA A 235 35.523 -2.771 40.557 1.00 0.00 H ATOM 1740 N PHE A 236 37.249 -4.292 42.929 1.00 22.60 N ATOM 1741 CA PHE A 236 37.928 -4.567 44.194 1.00 21.27 C ATOM 1742 C PHE A 236 36.946 -5.113 45.226 1.00 22.43 C ATOM 1743 O PHE A 236 37.213 -6.129 45.879 1.00 22.30 O ATOM 1744 CB PHE A 236 38.615 -3.295 44.702 1.00 19.53 C ATOM 1745 CG PHE A 236 38.986 -3.337 46.158 1.00 18.76 C ATOM 1746 CD1 PHE A 236 40.044 -4.114 46.596 1.00 18.16 C ATOM 1747 CD2 PHE A 236 38.289 -2.573 47.084 1.00 18.91 C ATOM 1748 CE1 PHE A 236 40.396 -4.143 47.935 1.00 17.95 C ATOM 1749 CE2 PHE A 236 38.629 -2.591 48.428 1.00 18.97 C ATOM 1750 CZ PHE A 236 39.684 -3.378 48.857 1.00 18.44 C ATOM 1751 H PHE A 236 37.260 -3.328 42.539 1.00 0.00 H ATOM 1752 N GLY A 237 35.793 -4.458 45.376 1.00 23.23 N ATOM 1753 CA GLY A 237 34.813 -4.931 46.340 1.00 25.03 C ATOM 1754 C GLY A 237 34.314 -6.329 46.026 1.00 26.16 C ATOM 1755 O GLY A 237 34.102 -7.144 46.931 1.00 26.78 O ATOM 1756 H GLY A 237 35.596 -3.611 44.805 1.00 0.00 H ATOM 1757 N ALA A 238 34.125 -6.627 44.738 1.00 25.70 N ATOM 1758 CA ALA A 238 33.646 -7.945 44.337 1.00 26.23 C ATOM 1759 C ALA A 238 34.704 -9.016 44.547 1.00 26.59 C ATOM 1760 O ALA A 238 34.367 -10.173 44.829 1.00 26.78 O ATOM 1761 CB ALA A 238 33.212 -7.916 42.873 1.00 26.48 C ATOM 1762 H ALA A 238 34.322 -5.910 44.011 1.00 0.00 H ATOM 1763 N ALA A 239 35.981 -8.658 44.406 1.00 25.40 N ATOM 1764 CA ALA A 239 37.049 -9.630 44.610 1.00 23.61 C ATOM 1765 C ALA A 239 37.146 -10.061 46.066 1.00 23.29 C ATOM 1766 O ALA A 239 37.588 -11.180 46.352 1.00 23.69 O ATOM 1767 CB ALA A 239 38.389 -9.056 44.147 1.00 23.67 C ATOM 1768 H ALA A 239 36.217 -7.678 44.149 1.00 0.00 H ATOM 1769 N PHE A 240 36.751 -9.196 46.996 1.00 22.25 N ATOM 1770 CA PHE A 240 36.882 -9.462 48.428 1.00 22.65 C ATOM 1771 C PHE A 240 35.529 -9.277 49.104 1.00 25.00 C ATOM 1772 O PHE A 240 35.344 -8.363 49.915 1.00 25.36 O ATOM 1773 CB PHE A 240 37.951 -8.558 49.041 1.00 21.22 C ATOM 1774 CG PHE A 240 39.300 -8.700 48.392 1.00 19.16 C ATOM 1775 CD1 PHE A 240 40.045 -9.850 48.574 1.00 18.89 C ATOM 1776 CD2 PHE A 240 39.818 -7.690 47.594 1.00 17.80 C ATOM 1777 CE1 PHE A 240 41.290 -9.991 47.984 1.00 18.12 C ATOM 1778 CE2 PHE A 240 41.059 -7.821 46.997 1.00 17.19 C ATOM 1779 CZ PHE A 240 41.803 -8.972 47.196 1.00 18.02 C ATOM 1780 H PHE A 240 36.332 -8.294 46.692 1.00 0.00 H ATOM 1781 N PRO A 241 34.562 -10.154 48.808 1.00 26.79 N ATOM 1782 CA PRO A 241 33.196 -9.940 49.323 1.00 29.09 C ATOM 1783 C PRO A 241 33.061 -10.126 50.826 1.00 33.41 C ATOM 1784 O PRO A 241 32.143 -9.547 51.422 1.00 35.33 O ATOM 1785 CB PRO A 241 32.356 -10.966 48.548 1.00 29.27 C ATOM 1786 CG PRO A 241 33.319 -12.043 48.188 1.00 28.31 C ATOM 1787 CD PRO A 241 34.663 -11.378 47.990 1.00 27.08 C ATOM 1788 N LYS A 242 33.934 -10.908 51.459 1.00 36.98 N ATOM 1789 CA LYS A 242 33.842 -11.134 52.896 1.00 39.77 C ATOM 1790 C LYS A 242 34.457 -10.004 53.712 1.00 37.33 C ATOM 1791 O LYS A 242 34.179 -9.907 54.912 1.00 38.51 O ATOM 1792 CB LYS A 242 34.547 -12.441 53.267 1.00 44.19 C ATOM 1793 CG LYS A 242 33.894 -13.699 52.720 1.00 47.57 C ATOM 1794 CD LYS A 242 33.751 -14.760 53.801 1.00 50.09 C ATOM 1795 CE LYS A 242 32.449 -15.525 53.654 1.00 51.63 C ATOM 1796 NZ LYS A 242 32.299 -16.063 52.274 1.00 52.69 N ATOM 1797 HZ1 LYS A 242 32.303 -15.276 51.594 1.00 0.00 H ATOM 1798 HZ2 LYS A 242 33.090 -16.706 52.066 1.00 0.00 H ATOM 1799 HZ3 LYS A 242 31.400 -16.582 52.201 1.00 0.00 H ATOM 1800 H LYS A 242 34.695 -11.366 50.918 1.00 0.00 H ATOM 1801 N ALA A 243 35.272 -9.152 53.094 1.00 32.61 N ATOM 1802 CA ALA A 243 36.044 -8.163 53.838 1.00 30.54 C ATOM 1803 C ALA A 243 35.126 -7.088 54.405 1.00 29.75 C ATOM 1804 O ALA A 243 34.477 -6.353 53.655 1.00 31.79 O ATOM 1805 CB ALA A 243 37.098 -7.531 52.931 1.00 29.46 C ATOM 1806 H ALA A 243 35.360 -9.192 52.059 1.00 0.00 H ATOM 1807 N SER A 244 35.075 -6.997 55.732 1.00 26.83 N ATOM 1808 CA SER A 244 34.307 -5.958 56.399 1.00 26.15 C ATOM 1809 C SER A 244 35.158 -4.780 56.849 1.00 23.90 C ATOM 1810 O SER A 244 34.610 -3.701 57.106 1.00 24.13 O ATOM 1811 CB SER A 244 33.554 -6.545 57.599 1.00 27.43 C ATOM 1812 OG SER A 244 34.460 -7.081 58.545 1.00 28.42 O ATOM 1813 HG SER A 244 33.954 -7.454 59.310 1.00 0.00 H ATOM 1814 H SER A 244 35.598 -7.688 56.307 1.00 0.00 H ATOM 1815 N MET A 245 36.473 -4.953 56.944 1.00 21.69 N ATOM 1816 CA MET A 245 37.381 -3.868 57.297 1.00 19.40 C ATOM 1817 C MET A 245 38.187 -3.512 56.055 1.00 18.46 C ATOM 1818 O MET A 245 39.027 -4.301 55.604 1.00 19.65 O ATOM 1819 CB MET A 245 38.304 -4.267 58.443 1.00 20.23 C ATOM 1820 CG MET A 245 39.169 -3.123 58.927 1.00 21.79 C ATOM 1821 SD MET A 245 40.456 -3.619 60.077 1.00 22.80 S ATOM 1822 CE MET A 245 39.624 -4.892 61.018 1.00 24.77 C ATOM 1823 H MET A 245 36.868 -5.897 56.760 1.00 0.00 H ATOM 1824 N ILE A 246 37.922 -2.334 55.501 1.00 17.26 N ATOM 1825 CA ILE A 246 38.579 -1.875 54.287 1.00 17.01 C ATOM 1826 C ILE A 246 39.681 -0.903 54.689 1.00 16.48 C ATOM 1827 O ILE A 246 39.415 0.167 55.243 1.00 17.13 O ATOM 1828 CB ILE A 246 37.578 -1.243 53.312 1.00 18.13 C ATOM 1829 CG1 ILE A 246 36.408 -2.200 53.043 1.00 18.96 C ATOM 1830 CG2 ILE A 246 38.268 -0.871 52.016 1.00 18.70 C ATOM 1831 CD1 ILE A 246 36.837 -3.597 52.602 1.00 19.25 C ATOM 1832 H ILE A 246 37.218 -1.716 55.953 1.00 0.00 H ATOM 1833 N VAL A 247 40.918 -1.287 54.450 1.00 14.40 N ATOM 1834 CA VAL A 247 42.078 -0.467 54.767 1.00 14.07 C ATOM 1835 C VAL A 247 42.498 0.261 53.499 1.00 14.26 C ATOM 1836 O VAL A 247 42.374 -0.265 52.388 1.00 14.70 O ATOM 1837 CB VAL A 247 43.212 -1.353 55.328 1.00 13.98 C ATOM 1838 CG1 VAL A 247 44.447 -0.512 55.698 1.00 14.54 C ATOM 1839 CG2 VAL A 247 42.708 -2.156 56.530 1.00 15.94 C ATOM 1840 H VAL A 247 41.073 -2.219 54.015 1.00 0.00 H ATOM 1841 N MET A 248 42.993 1.486 53.654 1.00 14.32 N ATOM 1842 CA MET A 248 43.289 2.318 52.496 1.00 14.57 C ATOM 1843 C MET A 248 44.434 3.257 52.836 1.00 13.45 C ATOM 1844 O MET A 248 44.870 3.349 53.984 1.00 12.62 O ATOM 1845 CB MET A 248 42.048 3.088 52.018 1.00 18.14 C ATOM 1846 CG MET A 248 41.535 4.135 52.982 1.00 20.93 C ATOM 1847 SD MET A 248 39.738 4.371 52.840 1.00 24.03 S ATOM 1848 CE MET A 248 39.144 2.979 53.786 1.00 24.23 C ATOM 1849 H MET A 248 43.170 1.853 54.611 1.00 0.00 H ATOM 1850 N SER A 249 44.906 3.979 51.820 1.00 13.20 N ATOM 1851 CA SER A 249 46.184 4.670 51.963 1.00 13.01 C ATOM 1852 C SER A 249 46.102 5.898 52.868 1.00 13.43 C ATOM 1853 O SER A 249 47.065 6.194 53.582 1.00 14.34 O ATOM 1854 CB SER A 249 46.734 5.075 50.600 1.00 13.74 C ATOM 1855 OG SER A 249 47.298 3.957 49.944 1.00 13.47 O ATOM 1856 HG SER A 249 47.650 4.236 49.062 1.00 0.00 H ATOM 1857 H SER A 249 44.368 4.050 50.933 1.00 0.00 H ATOM 1858 N HIS A 250 45.005 6.663 52.820 1.00 15.67 N ATOM 1859 CA HIS A 250 45.019 7.995 53.419 1.00 19.17 C ATOM 1860 C HIS A 250 43.924 8.233 54.449 1.00 22.84 C ATOM 1861 O HIS A 250 43.695 9.387 54.835 1.00 26.81 O ATOM 1862 CB HIS A 250 44.985 9.074 52.333 1.00 19.29 C ATOM 1863 CG HIS A 250 46.071 8.922 51.318 1.00 17.38 C ATOM 1864 ND1 HIS A 250 47.408 8.952 51.654 1.00 15.69 N ATOM 1865 CD2 HIS A 250 46.022 8.710 49.981 1.00 17.18 C ATOM 1866 CE1 HIS A 250 48.135 8.775 50.567 1.00 16.08 C ATOM 1867 NE2 HIS A 250 47.319 8.623 49.539 1.00 16.40 N ATOM 1868 H HIS A 250 44.144 6.309 52.357 1.00 0.00 H ATOM 1869 N SER A 251 43.248 7.184 54.906 1.00 22.16 N ATOM 1870 CA SER A 251 42.222 7.304 55.928 1.00 22.08 C ATOM 1871 C SER A 251 42.310 6.088 56.830 1.00 20.25 C ATOM 1872 O SER A 251 42.884 5.062 56.459 1.00 18.94 O ATOM 1873 CB SER A 251 40.820 7.360 55.314 1.00 23.31 C ATOM 1874 OG SER A 251 40.640 8.553 54.573 1.00 26.52 O ATOM 1875 HG SER A 251 39.728 8.566 54.187 1.00 0.00 H ATOM 1876 H SER A 251 43.461 6.243 54.518 1.00 0.00 H ATOM 1877 N ALA A 252 41.742 6.223 58.030 1.00 20.18 N ATOM 1878 CA ALA A 252 41.624 5.100 58.937 1.00 18.95 C ATOM 1879 C ALA A 252 40.765 4.012 58.293 1.00 18.01 C ATOM 1880 O ALA A 252 39.989 4.288 57.375 1.00 18.68 O ATOM 1881 CB ALA A 252 40.986 5.564 60.245 1.00 19.54 C ATOM 1882 H ALA A 252 41.377 7.153 58.320 1.00 0.00 H ATOM 1883 N PRO A 253 40.913 2.761 58.734 1.00 16.17 N ATOM 1884 CA PRO A 253 40.081 1.681 58.186 1.00 17.72 C ATOM 1885 C PRO A 253 38.601 2.010 58.301 1.00 20.00 C ATOM 1886 O PRO A 253 38.155 2.638 59.263 1.00 21.19 O ATOM 1887 CB PRO A 253 40.448 0.476 59.056 1.00 18.26 C ATOM 1888 CG PRO A 253 41.838 0.764 59.501 1.00 17.11 C ATOM 1889 CD PRO A 253 41.908 2.253 59.695 1.00 17.11 C ATOM 1890 N ASP A 254 37.840 1.579 57.304 1.00 21.29 N ATOM 1891 CA ASP A 254 36.428 1.910 57.191 1.00 22.43 C ATOM 1892 C ASP A 254 35.640 0.654 56.845 1.00 22.87 C ATOM 1893 O ASP A 254 36.204 -0.413 56.590 1.00 22.76 O ATOM 1894 CB ASP A 254 36.222 2.988 56.120 1.00 25.04 C ATOM 1895 CG ASP A 254 34.936 3.777 56.313 1.00 28.09 C ATOM 1896 OD1 ASP A 254 34.167 3.484 57.257 1.00 28.79 O ATOM 1897 OD2 ASP A 254 34.694 4.699 55.507 1.00 30.29 O ATOM 1898 H ASP A 254 38.271 0.979 56.572 1.00 0.00 H ATOM 1899 N SER A 255 34.315 0.790 56.846 1.00 24.04 N ATOM 1900 CA SER A 255 33.432 -0.285 56.430 1.00 24.82 C ATOM 1901 C SER A 255 33.399 -0.366 54.907 1.00 24.15 C ATOM 1902 O SER A 255 34.025 0.428 54.199 1.00 24.45 O ATOM 1903 CB SER A 255 32.025 -0.038 56.963 1.00 26.58 C ATOM 1904 OG SER A 255 31.350 0.892 56.135 1.00 28.05 O ATOM 1905 HG SER A 255 30.438 1.046 56.489 1.00 0.00 H ATOM 1906 H SER A 255 33.901 1.693 57.154 1.00 0.00 H ATOM 1907 N ARG A 256 32.636 -1.333 54.391 1.00 24.86 N ATOM 1908 CA ARG A 256 32.488 -1.487 52.949 1.00 24.77 C ATOM 1909 C ARG A 256 31.817 -0.288 52.291 1.00 25.02 C ATOM 1910 O ARG A 256 31.846 -0.185 51.059 1.00 25.61 O ATOM 1911 CB ARG A 256 31.708 -2.763 52.628 1.00 25.89 C ATOM 1912 CG ARG A 256 32.454 -4.044 52.965 1.00 27.13 C ATOM 1913 CD ARG A 256 31.694 -5.283 52.519 1.00 27.73 C ATOM 1914 NE ARG A 256 31.681 -5.454 51.069 1.00 27.01 N ATOM 1915 CZ ARG A 256 32.689 -5.955 50.362 1.00 26.76 C ATOM 1916 NH1 ARG A 256 33.816 -6.331 50.966 1.00 26.67 N ATOM 1917 NH2 ARG A 256 32.575 -6.071 49.044 1.00 27.50 N ATOM 1918 HE ARG A 256 30.825 -5.164 50.554 1.00 0.00 H ATOM 1919 HH12 ARG A 256 34.600 -6.722 50.406 1.00 0.00 H ATOM 1920 HH11 ARG A 256 33.911 -6.233 51.997 1.00 0.00 H ATOM 1921 HH22 ARG A 256 33.361 -6.462 48.487 1.00 0.00 H ATOM 1922 HH21 ARG A 256 31.700 -5.770 48.569 1.00 0.00 H ATOM 1923 H ARG A 256 32.139 -1.987 55.029 1.00 0.00 H ATOM 1924 N ALA A 257 31.216 0.613 53.073 1.00 25.16 N ATOM 1925 CA ALA A 257 30.679 1.845 52.507 1.00 25.45 C ATOM 1926 C ALA A 257 31.762 2.667 51.823 1.00 24.97 C ATOM 1927 O ALA A 257 31.451 3.476 50.944 1.00 26.62 O ATOM 1928 CB ALA A 257 30.009 2.680 53.598 1.00 25.63 C ATOM 1929 H ALA A 257 31.130 0.434 54.094 1.00 0.00 H ATOM 1930 N ALA A 258 33.027 2.479 52.205 1.00 24.75 N ATOM 1931 CA ALA A 258 34.111 3.174 51.519 1.00 24.51 C ATOM 1932 C ALA A 258 34.170 2.777 50.048 1.00 24.77 C ATOM 1933 O ALA A 258 34.429 3.618 49.179 1.00 25.18 O ATOM 1934 CB ALA A 258 35.441 2.885 52.217 1.00 24.71 C ATOM 1935 H ALA A 258 33.241 1.835 52.994 1.00 0.00 H ATOM 1936 N ILE A 259 33.905 1.504 49.749 1.00 26.01 N ATOM 1937 CA ILE A 259 33.957 1.039 48.368 1.00 26.93 C ATOM 1938 C ILE A 259 32.818 1.641 47.559 1.00 28.72 C ATOM 1939 O ILE A 259 33.029 2.169 46.461 1.00 29.24 O ATOM 1940 CB ILE A 259 33.927 -0.497 48.312 1.00 26.91 C ATOM 1941 CG1 ILE A 259 35.078 -1.097 49.120 1.00 26.12 C ATOM 1942 CG2 ILE A 259 33.965 -0.976 46.864 1.00 27.82 C ATOM 1943 CD1 ILE A 259 34.952 -2.588 49.306 1.00 26.67 C ATOM 1944 H ILE A 259 33.659 0.837 50.508 1.00 0.00 H ATOM 1945 N THR A 260 31.589 1.556 48.084 1.00 30.79 N ATOM 1946 CA THR A 260 30.441 2.092 47.360 1.00 32.04 C ATOM 1947 C THR A 260 30.557 3.603 47.187 1.00 32.41 C ATOM 1948 O THR A 260 30.276 4.133 46.105 1.00 33.52 O ATOM 1949 CB THR A 260 29.127 1.688 48.041 1.00 32.79 C ATOM 1950 OG1 THR A 260 29.200 1.921 49.456 1.00 33.16 O ATOM 1951 CG2 THR A 260 28.824 0.209 47.784 1.00 34.24 C ATOM 1952 HG1 THR A 260 29.366 2.883 49.623 1.00 0.00 H ATOM 1953 H THR A 260 31.452 1.106 49.012 1.00 0.00 H ATOM 1954 N HIS A 261 31.006 4.308 48.229 1.00 31.88 N ATOM 1955 CA HIS A 261 31.159 5.756 48.128 1.00 32.19 C ATOM 1956 C HIS A 261 32.242 6.136 47.127 1.00 31.16 C ATOM 1957 O HIS A 261 32.067 7.074 46.340 1.00 32.50 O ATOM 1958 CB HIS A 261 31.462 6.360 49.499 1.00 33.25 C ATOM 1959 CG HIS A 261 31.729 7.834 49.463 1.00 34.13 C ATOM 1960 ND1 HIS A 261 30.753 8.761 49.166 1.00 34.62 N ATOM 1961 CD2 HIS A 261 32.862 8.541 49.686 1.00 35.03 C ATOM 1962 CE1 HIS A 261 31.273 9.975 49.209 1.00 35.05 C ATOM 1963 NE2 HIS A 261 32.551 9.869 49.522 1.00 35.34 N ATOM 1964 H HIS A 261 31.248 3.823 49.117 1.00 0.00 H ATOM 1965 N THR A 262 33.379 5.434 47.150 1.00 30.07 N ATOM 1966 CA THR A 262 34.431 5.733 46.185 1.00 29.59 C ATOM 1967 C THR A 262 33.925 5.549 44.761 1.00 30.64 C ATOM 1968 O THR A 262 34.182 6.384 43.886 1.00 31.16 O ATOM 1969 CB THR A 262 35.651 4.845 46.435 1.00 27.10 C ATOM 1970 OG1 THR A 262 36.234 5.163 47.706 1.00 26.08 O ATOM 1971 CG2 THR A 262 36.675 5.063 45.346 1.00 26.37 C ATOM 1972 HG1 THR A 262 35.567 5.011 48.421 1.00 0.00 H ATOM 1973 H THR A 262 33.513 4.679 47.852 1.00 0.00 H ATOM 1974 N ALA A 263 33.193 4.461 44.514 1.00 32.61 N ATOM 1975 CA ALA A 263 32.698 4.191 43.170 1.00 33.93 C ATOM 1976 C ALA A 263 31.728 5.272 42.701 1.00 35.87 C ATOM 1977 O ALA A 263 31.765 5.679 41.535 1.00 36.24 O ATOM 1978 CB ALA A 263 32.053 2.806 43.119 1.00 33.70 C ATOM 1979 H ALA A 263 32.974 3.800 45.287 1.00 0.00 H ATOM 1980 N ARG A 264 30.867 5.762 43.601 1.00 37.94 N ATOM 1981 CA ARG A 264 29.904 6.798 43.223 1.00 39.98 C ATOM 1982 C ARG A 264 30.610 8.080 42.800 1.00 41.04 C ATOM 1983 O ARG A 264 30.149 8.785 41.896 1.00 41.71 O ATOM 1984 CB ARG A 264 28.943 7.083 44.379 1.00 41.33 C ATOM 1985 CG ARG A 264 27.927 5.979 44.667 1.00 43.21 C ATOM 1986 CD ARG A 264 27.006 5.711 43.476 1.00 44.12 C ATOM 1987 NE ARG A 264 25.722 6.402 43.574 1.00 44.65 N ATOM 1988 CZ ARG A 264 24.868 6.526 42.562 1.00 44.03 C ATOM 1989 NH1 ARG A 264 25.165 6.003 41.379 1.00 43.58 N ATOM 1990 NH2 ARG A 264 23.719 7.170 42.726 1.00 44.31 N ATOM 1991 HE ARG A 264 25.461 6.822 44.489 1.00 0.00 H ATOM 1992 HH12 ARG A 264 24.499 6.099 40.586 1.00 0.00 H ATOM 1993 HH11 ARG A 264 26.064 5.497 41.245 1.00 0.00 H ATOM 1994 HH22 ARG A 264 23.057 7.263 41.930 1.00 0.00 H ATOM 1995 HH21 ARG A 264 23.481 7.582 43.651 1.00 0.00 H ATOM 1996 H ARG A 264 30.882 5.404 44.577 1.00 0.00 H ATOM 1997 N MET A 265 31.732 8.401 43.446 1.00 41.10 N ATOM 1998 CA MET A 265 32.456 9.619 43.102 1.00 42.08 C ATOM 1999 C MET A 265 33.193 9.474 41.777 1.00 41.10 C ATOM 2000 O MET A 265 33.234 10.417 40.978 1.00 41.74 O ATOM 2001 CB MET A 265 33.429 9.979 44.219 1.00 43.62 C ATOM 2002 CG MET A 265 32.769 10.248 45.562 1.00 45.66 C ATOM 2003 SD MET A 265 33.843 11.215 46.641 1.00 47.26 S ATOM 2004 CE MET A 265 35.199 11.520 45.531 1.00 47.42 C ATOM 2005 H MET A 265 32.092 7.780 44.198 1.00 0.00 H ATOM 2006 N ALA A 266 33.795 8.308 41.531 1.00 40.15 N ATOM 2007 CA ALA A 266 34.460 8.075 40.255 1.00 39.63 C ATOM 2008 C ALA A 266 33.476 8.047 39.095 1.00 40.18 C ATOM 2009 O ALA A 266 33.878 8.274 37.949 1.00 40.94 O ATOM 2010 CB ALA A 266 35.272 6.777 40.310 1.00 38.86 C ATOM 2011 H ALA A 266 33.789 7.561 42.255 1.00 0.00 H ATOM 2012 N ASP A 267 32.260 7.849 39.370 1.00 41.24 N ATOM 2013 CA ASP A 267 31.297 8.030 38.325 1.00 43.37 C ATOM 2014 C ASP A 267 31.263 9.524 37.770 1.00 45.98 C ATOM 2015 O ASP A 267 31.147 9.732 36.605 1.00 46.33 O ATOM 2016 CB ASP A 267 29.976 7.685 38.927 1.00 42.78 C ATOM 2017 CG ASP A 267 29.718 6.224 38.934 1.00 41.71 C ATOM 2018 OD1 ASP A 267 30.434 5.548 38.220 1.00 40.72 O ATOM 2019 OD2 ASP A 267 28.831 5.726 39.635 1.00 41.39 O ATOM 2020 H ASP A 267 31.966 7.563 40.326 1.00 0.00 H ATOM 2021 N LYS A 268 31.557 10.495 38.623 1.00 48.51 N ATOM 2022 CA LYS A 268 31.475 11.899 38.235 1.00 50.92 C ATOM 2023 C LYS A 268 32.676 12.316 37.349 1.00 51.66 C ATOM 2024 O LYS A 268 32.647 13.386 36.732 1.00 52.02 O ATOM 2025 CB LYS A 268 31.178 12.825 39.455 1.00 52.69 C ATOM 2026 CG LYS A 268 29.872 12.592 40.239 1.00 54.21 C ATOM 2027 CD LYS A 268 30.072 12.871 41.705 1.00 55.12 C ATOM 2028 CE LYS A 268 28.919 12.457 42.584 1.00 55.48 C ATOM 2029 NZ LYS A 268 27.618 12.251 41.927 1.00 55.30 N ATOM 2030 HZ1 LYS A 268 27.318 13.136 41.470 1.00 0.00 H ATOM 2031 HZ2 LYS A 268 27.707 11.502 41.211 1.00 0.00 H ATOM 2032 HZ3 LYS A 268 26.913 11.970 42.638 1.00 0.00 H ATOM 2033 H LYS A 268 31.853 10.251 39.590 1.00 0.00 H ATOM 2034 N LEU A 269 33.750 11.495 37.224 1.00 51.91 N ATOM 2035 CA LEU A 269 34.844 11.750 36.318 1.00 52.12 C ATOM 2036 C LEU A 269 34.497 11.300 34.898 1.00 53.91 C ATOM 2037 O LEU A 269 35.279 11.502 34.016 1.00 54.13 O ATOM 2038 CB LEU A 269 36.103 10.981 36.731 1.00 50.66 C ATOM 2039 CG LEU A 269 36.533 11.187 38.118 1.00 49.75 C ATOM 2040 CD1 LEU A 269 37.634 10.209 38.390 1.00 49.29 C ATOM 2041 CD2 LEU A 269 37.078 12.582 38.247 1.00 49.58 C ATOM 2042 H LEU A 269 33.786 10.638 37.812 1.00 0.00 H ATOM 2043 N ARG A 270 33.376 10.594 34.731 1.00 55.31 N ATOM 2044 CA ARG A 270 32.889 10.077 33.464 1.00 56.85 C ATOM 2045 C ARG A 270 31.851 11.009 32.823 1.00 57.39 C ATOM 2046 O ARG A 270 31.149 11.688 33.509 1.00 57.88 O ATOM 2047 CB ARG A 270 32.110 8.810 33.687 1.00 57.78 C ATOM 2048 CG ARG A 270 32.785 7.777 34.536 1.00 58.93 C ATOM 2049 CD ARG A 270 32.208 6.410 34.341 1.00 60.27 C ATOM 2050 NE ARG A 270 32.853 5.923 33.168 1.00 61.82 N ATOM 2051 CZ ARG A 270 32.302 5.269 32.158 1.00 62.75 C ATOM 2052 NH1 ARG A 270 31.016 4.995 32.126 1.00 63.30 N ATOM 2053 NH2 ARG A 270 33.088 4.862 31.180 1.00 62.75 N ATOM 2054 OXT ARG A 270 31.693 11.007 31.645 1.00 57.73 O ATOM 2055 HE ARG A 270 33.875 6.102 33.097 1.00 0.00 H ATOM 2056 HH12 ARG A 270 30.614 4.479 31.317 1.00 0.00 H ATOM 2057 HH11 ARG A 270 30.401 5.294 32.909 1.00 0.00 H ATOM 2058 HH22 ARG A 270 32.687 4.345 30.371 1.00 0.00 H ATOM 2059 HH21 ARG A 270 34.109 5.058 31.217 1.00 0.00 H ATOM 2060 H ARG A 270 32.805 10.398 35.578 1.00 0.00 H TER 2061 ARG A 270 HETATM 2062 ZN ZN A 1 49.378 7.093 44.120 1.00 13.98 ZN HETATM 2063 ZN ZN A 2 47.694 8.034 47.706 1.00 16.68 ZN HETATM 2064 O HOH 3 46.921 17.249 54.481 1.00 26.08 O HETATM 2065 O HOH 4 65.979 -0.929 60.296 1.00 22.51 O HETATM 2066 O HOH 5 65.988 -3.054 62.635 1.00 27.39 O HETATM 2067 O HOH 6 48.980 5.442 35.795 1.00 27.99 O HETATM 2068 O HOH 7 47.649 -0.902 68.229 1.00 33.27 O HETATM 2069 O HOH 8 64.913 -10.883 45.996 1.00 39.87 O HETATM 2070 O HOH 9 67.738 -0.905 45.663 1.00 22.06 O HETATM 2071 O HOH 10 60.313 -14.658 43.847 1.00 26.80 O HETATM 2072 O HOH 11 66.100 5.364 47.521 1.00 32.31 O HETATM 2073 O HOH 12 47.379 15.739 56.991 1.00 22.11 O HETATM 2074 O HOH 13 38.257 -13.205 47.777 1.00 47.49 O HETATM 2075 O HOH 14 59.871 -17.292 47.217 1.00 31.58 O HETATM 2076 O HOH 15 31.390 -4.145 43.527 1.00 48.75 O HETATM 2077 O HOH 16 48.678 5.782 72.052 1.00 36.12 O HETATM 2078 O HOH 17 53.527 10.814 38.075 1.00 18.18 O HETATM 2079 O HOH 18 50.941 -4.097 68.702 1.00 35.89 O HETATM 2080 O HOH 19 29.672 -8.675 51.519 1.00 45.22 O HETATM 2081 O HOH 20 42.740 8.524 43.346 1.00 31.69 O HETATM 2082 O HOH 21 33.646 -9.433 59.425 1.00 41.11 O HETATM 2083 O HOH 22 40.711 8.336 51.942 1.00 31.44 O HETATM 2084 O HOH 23 37.548 -6.902 62.627 1.00 49.06 O HETATM 2085 O HOH 24 57.492 -12.501 40.586 1.00 19.94 O HETATM 2086 O HOH 25 61.950 4.030 45.559 1.00 13.94 O HETATM 2087 O HOH 26 62.190 -0.723 35.453 1.00 25.67 O HETATM 2088 O HOH 27 48.825 -16.310 48.771 1.00 42.40 O HETATM 2089 O HOH 28 47.762 22.907 47.124 1.00 44.34 O HETATM 2090 O HOH 29 64.306 -11.433 54.327 1.00 18.34 O HETATM 2091 O HOH 30 48.516 3.095 61.685 1.00 14.39 O HETATM 2092 O HOH 31 50.709 -6.108 34.751 1.00 28.04 O HETATM 2093 O HOH 32 67.131 -9.362 63.869 1.00 38.93 O HETATM 2094 O HOH 33 30.613 14.447 35.326 1.00 51.64 O HETATM 2095 O HOH 34 59.217 11.064 59.047 1.00 29.21 O HETATM 2096 O HOH 35 43.905 -14.932 32.051 1.00 34.76 O HETATM 2097 O HOH 36 63.806 -7.697 69.186 1.00 35.48 O HETATM 2098 O HOH 37 38.988 2.818 61.827 1.00 29.51 O HETATM 2099 O HOH 38 52.435 3.755 52.869 1.00 12.51 O HETATM 2100 O HOH 39 38.086 6.197 57.619 1.00 34.09 O HETATM 2101 O HOH 40 43.037 13.064 35.745 1.00 44.40 O HETATM 2102 O HOH 41 53.677 19.943 56.733 1.00 35.50 O HETATM 2103 O HOH 42 37.848 -3.720 36.232 1.00 39.40 O HETATM 2104 O HOH 43 61.421 -5.916 72.044 1.00 56.08 O HETATM 2105 O HOH 44 47.807 1.579 46.056 1.00 12.72 O HETATM 2106 O HOH 45 48.292 -13.681 46.197 1.00 18.39 O HETATM 2107 O HOH 46 62.219 10.574 56.128 1.00 19.02 O HETATM 2108 O HOH 47 58.473 -15.032 47.979 1.00 15.32 O HETATM 2109 O HOH 48 34.409 2.801 34.938 1.00 39.60 O HETATM 2110 O HOH 49 56.418 9.489 59.284 1.00 17.30 O HETATM 2111 O HOH 50 58.419 5.835 29.875 1.00 28.80 O HETATM 2112 O HOH 51 43.036 2.333 56.425 1.00 15.31 O HETATM 2113 O HOH 52 44.382 -8.339 34.632 1.00 29.97 O HETATM 2114 O HOH 53 62.442 -8.512 62.567 1.00 15.99 O HETATM 2115 O HOH 54 40.660 15.316 43.126 1.00 41.08 O HETATM 2116 O HOH 55 71.581 -5.747 55.657 1.00 50.06 O HETATM 2117 O HOH 56 52.293 -2.948 42.199 1.00 10.06 O HETATM 2118 O HOH 57 53.346 4.172 55.586 1.00 10.30 O HETATM 2119 O HOH 58 45.637 0.178 45.000 1.00 13.38 O HETATM 2120 O HOH 59 58.395 12.611 65.678 1.00 17.28 O HETATM 2121 O HOH 60 47.764 -15.633 66.053 1.00 26.40 O HETATM 2122 O HOH 61 55.602 6.545 71.829 1.00 28.04 O HETATM 2123 O HOH 62 55.388 10.207 70.548 1.00 30.43 O HETATM 2124 O HOH 63 58.383 13.388 56.659 1.00 20.08 O HETATM 2125 O HOH 64 54.965 9.801 43.868 1.00 20.90 O HETATM 2126 O HOH 65 59.922 4.250 33.752 1.00 15.35 O HETATM 2127 O HOH 66 65.501 -2.692 41.601 1.00 29.59 O HETATM 2128 O HOH 67 61.632 -12.658 39.411 1.00 31.05 O HETATM 2129 O HOH 68 46.960 9.433 40.254 1.00 21.58 O HETATM 2130 O HOH 69 66.587 -0.795 55.959 1.00 20.97 O HETATM 2131 O HOH 70 62.560 6.693 45.251 1.00 17.80 O HETATM 2132 O HOH 71 57.440 -12.145 36.660 1.00 30.79 O HETATM 2133 O HOH 72 45.025 -2.410 32.427 1.00 47.45 O HETATM 2134 O HOH 73 40.453 -6.793 36.929 1.00 35.16 O HETATM 2135 O HOH 74 68.180 -11.758 52.896 1.00 38.13 O HETATM 2136 O HOH 75 62.977 -6.263 61.110 1.00 14.85 O HETATM 2137 O HOH 76 54.334 -13.886 34.171 1.00 28.34 O HETATM 2138 O HOH 77 65.981 -9.678 55.726 1.00 19.15 O HETATM 2139 O HOH 78 64.931 3.579 39.309 1.00 20.19 O HETATM 2140 O HOH 79 37.594 13.718 42.963 1.00 39.52 O HETATM 2141 O HOH 80 56.982 -19.565 41.576 1.00 18.00 O HETATM 2142 O HOH 81 63.516 -11.886 51.750 1.00 20.37 O HETATM 2143 O HOH 82 48.306 9.358 73.183 1.00 42.84 O HETATM 2144 O HOH 83 45.958 6.739 58.893 1.00 23.16 O HETATM 2145 O HOH 84 61.985 -5.527 38.309 1.00 36.76 O HETATM 2146 O HOH 85 54.585 9.126 65.733 1.00 15.86 O HETATM 2147 O HOH 86 62.234 1.523 71.510 1.00 47.81 O HETATM 2148 O HOH 87 40.147 -7.786 62.819 1.00 35.85 O HETATM 2149 O HOH 88 41.102 0.797 63.030 1.00 36.99 O HETATM 2150 O HOH 89 44.205 15.517 40.845 1.00 39.32 O HETATM 2151 O HOH 90 45.880 -15.701 42.699 1.00 31.85 O HETATM 2152 O HOH 91 55.593 -19.273 58.862 1.00 16.50 O HETATM 2153 O HOH 92 66.774 -7.845 48.842 1.00 24.36 O HETATM 2154 O HOH 93 45.875 -10.663 31.756 1.00 38.71 O HETATM 2155 O HOH 94 56.212 2.933 70.759 1.00 43.48 O HETATM 2156 O HOH 95 36.120 -8.488 40.766 1.00 37.35 O HETATM 2157 O HOH 96 38.198 -1.205 35.086 1.00 35.12 O HETATM 2158 O HOH 97 59.904 -11.010 38.076 1.00 25.77 O HETATM 2159 O HOH 98 65.698 5.316 59.896 1.00 24.99 O HETATM 2160 O HOH 99 31.854 -3.438 56.414 1.00 35.84 O HETATM 2161 O HOH 100 58.432 17.115 51.418 1.00 35.16 O HETATM 2162 O HOH 101 42.074 -1.425 65.154 1.00 44.41 O HETATM 2163 O HOH 102 36.538 -11.807 50.660 1.00 40.49 O HETATM 2164 O HOH 103 45.291 -12.003 62.117 1.00 31.53 O HETATM 2165 O HOH 104 59.105 6.761 69.780 1.00 43.14 O HETATM 2166 O HOH 105 40.769 8.831 58.775 1.00 34.32 O HETATM 2167 O HOH 106 52.926 -11.603 66.681 1.00 53.04 O HETATM 2168 O HOH 107 63.822 -14.122 65.249 1.00 47.14 O HETATM 2169 O HOH 108 39.989 -10.786 53.584 1.00 34.84 O HETATM 2170 O HOH 109 55.128 -7.679 71.189 1.00 42.85 O HETATM 2171 O HOH 110 41.244 -14.877 33.982 1.00 48.13 O HETATM 2172 O HOH 111 28.825 -0.499 55.916 1.00 34.37 O HETATM 2173 O HOH 112 44.211 -1.214 67.846 1.00 41.56 O HETATM 2174 O HOH 113 46.169 6.263 33.897 1.00 42.53 O HETATM 2175 O HOH 114 46.734 4.974 62.937 1.00 21.52 O HETATM 2176 O HOH 115 64.306 -9.790 64.153 1.00 54.01 O HETATM 2177 O HOH 116 50.417 -12.525 66.583 1.00 30.83 O HETATM 2178 O HOH 117 48.699 -14.659 58.797 1.00 31.61 O HETATM 2179 O HOH 118 67.977 -6.868 57.748 1.00 21.04 O HETATM 2180 O HOH 119 63.882 3.748 47.520 1.00 13.67 O HETATM 2181 O HOH 120 49.698 -8.660 34.098 1.00 21.09 O HETATM 2182 O HOH 121 65.202 8.634 53.629 1.00 19.20 O HETATM 2183 O HOH 122 63.832 8.023 50.480 1.00 25.98 O HETATM 2184 O HOH 123 57.201 2.977 30.910 1.00 32.78 O HETATM 2185 O HOH 124 46.907 13.021 56.362 1.00 34.32 O HETATM 2186 O HOH 125 45.822 -14.604 58.538 1.00 45.21 O HETATM 2187 O HOH 126 52.697 -19.307 50.800 1.00 27.91 O HETATM 2188 O HOH 127 51.760 -18.122 47.810 1.00 29.18 O HETATM 2189 O HOH 128 56.976 10.298 68.827 1.00 62.47 O HETATM 2190 O HOH 129 48.900 8.371 69.336 1.00 57.20 O HETATM 2191 O HOH 130 40.614 -4.055 65.113 1.00 38.90 O HETATM 2192 O HOH 131 48.577 -10.175 68.773 1.00 44.62 O HETATM 2193 O HOH 132 64.894 0.708 39.445 1.00 20.38 O HETATM 2194 O HOH 133 42.719 11.758 53.367 1.00 50.60 O HETATM 2195 O HOH 134 50.866 -18.745 37.668 1.00 26.16 O HETATM 2196 O HOH 135 61.013 7.966 62.894 1.00 41.61 O HETATM 2197 O HOH 136 64.621 7.709 38.795 1.00 48.69 O HETATM 2198 O HOH 137 48.355 -3.434 35.452 1.00 37.31 O HETATM 2199 O HOH 138 64.173 -9.290 57.981 1.00 15.14 O HETATM 2200 O HOH 139 42.805 6.559 50.824 1.00 33.62 O HETATM 2201 O HOH 140 57.996 15.812 55.617 1.00 25.81 O HETATM 2202 O HOH 141 42.655 -16.282 37.818 1.00 49.38 O HETATM 2203 O HOH 142 44.694 5.259 61.063 1.00 25.50 O HETATM 2204 O HOH 143 50.054 -15.892 45.497 1.00 25.64 O HETATM 2205 O HOH 144 51.744 -18.667 45.160 1.00 35.29 O HETATM 2206 O HOH 145 69.904 2.312 44.970 1.00 38.72 O HETATM 2207 O HOH 146 43.028 10.343 48.912 1.00 49.32 O HETATM 2208 O HOH 147 27.923 7.818 48.521 1.00 46.49 O HETATM 2209 O HOH 148 58.960 19.656 52.028 1.00 54.38 O HETATM 2210 O HOH 149 40.068 -10.168 61.158 1.00 32.54 O HETATM 2211 O HOH 150 61.197 12.500 50.465 1.00 37.67 O HETATM 2212 O HOH 151 59.499 -17.466 54.002 1.00 26.86 O HETATM 2213 O HOH 152 45.957 -16.660 33.205 1.00 53.32 O HETATM 2214 O HOH 153 40.807 6.721 63.469 1.00 43.83 O HETATM 2215 O HOH 154 26.556 13.612 44.626 1.00 27.99 O HETATM 2216 O HOH 155 54.404 -3.985 32.435 1.00 47.64 O HETATM 2217 O HOH 156 47.416 7.944 62.824 1.00 48.36 O HETATM 2218 O HOH 157 67.874 4.897 58.279 1.00 42.35 O HETATM 2219 O HOH 158 45.630 15.456 46.155 1.00 40.79 O HETATM 2220 O HOH 159 43.287 -5.189 67.374 1.00 45.41 O HETATM 2221 O HOH 160 43.658 -7.808 67.393 1.00 33.82 O HETATM 2222 O HOH 161 39.367 -7.720 35.365 1.00 47.09 O HETATM 2223 O HOH 162 34.974 13.081 42.008 1.00 43.01 O HETATM 2224 O HOH 163 63.262 7.286 33.688 1.00 51.46 O HETATM 2225 O HOH 164 41.456 3.432 66.925 1.00 49.05 O HETATM 2226 O HOH 165 62.081 0.655 32.862 1.00 39.78 O HETATM 2227 O HOH 166 41.837 -12.307 62.132 1.00 40.27 O HETATM 2228 O HOH 167 46.409 16.282 39.018 1.00 53.19 O HETATM 2229 O HOH 168 41.338 -12.202 51.244 1.00 43.93 O HETATM 2230 O HOH 169 59.563 -15.268 50.544 1.00 33.32 O HETATM 2231 O HOH 170 46.014 -14.658 45.267 1.00 43.67 O HETATM 2232 O HOH 171 39.144 5.293 63.099 1.00 52.33 O HETATM 2233 O HOH 172 65.353 7.762 63.423 1.00 45.41 O HETATM 2234 O HOH 173 30.903 -5.399 45.698 1.00 38.85 O HETATM 2235 O HOH 174 46.451 12.124 62.821 1.00 43.14 O HETATM 2236 O HOH 175 53.897 11.280 40.859 1.00 24.78 O HETATM 2237 O HOH 176 64.492 11.236 54.504 1.00 36.14 O HETATM 2238 O HOH 177 36.544 -0.382 60.451 1.00 52.94 O HETATM 2239 O HOH 178 54.962 12.009 45.739 1.00 46.44 O HETATM 2240 O HOH 179 64.839 -14.588 43.202 1.00 55.05 O HETATM 2241 O HOH 180 34.466 1.246 33.345 1.00 43.87 O HETATM 2242 O HOH 181 29.696 -8.318 48.425 1.00 53.69 O HETATM 2243 O HOH 182 43.179 7.689 61.925 1.00 46.34 O HETATM 2244 O HOH 183 61.302 8.597 46.893 1.00 31.03 O HETATM 2245 O HOH 184 42.130 -17.271 35.536 1.00 36.59 O HETATM 2246 O HOH 185 42.564 14.392 49.181 1.00 52.52 O HETATM 2247 O HOH 186 61.689 7.999 60.238 1.00 40.58 O HETATM 2248 O HOH 187 47.723 9.593 64.729 1.00 32.70 O HETATM 2249 O HOH 188 45.665 9.284 59.224 1.00 33.45 O HETATM 2250 O HOH 189 62.155 4.934 32.399 1.00 25.55 O HETATM 2251 O HOH 190 65.636 -5.494 61.455 1.00 18.66 O HETATM 2252 O HOH 191 60.755 12.845 55.278 1.00 21.64 O HETATM 2253 O HOH 192 36.205 -11.264 41.495 1.00 51.29 O HETATM 2254 O HOH 193 53.576 -16.360 35.059 1.00 37.47 O HETATM 2255 O HOH 194 63.142 -15.649 44.326 1.00 55.02 O HETATM 2256 O HOH 195 60.708 11.293 66.512 1.00 44.38 O HETATM 2257 O HOH 196 68.312 -11.144 55.996 1.00 50.13 O HETATM 2258 O HOH 197 31.647 2.728 35.274 1.00 43.50 O HETATM 2259 O HOH 198 64.985 -12.705 39.885 1.00 48.89 O HETATM 2260 O HOH 199 62.100 -14.975 55.973 1.00 38.75 O HETATM 2261 O HOH 200 35.378 -4.339 35.905 1.00 50.66 O HETATM 2262 O HOH 201 46.097 -16.952 62.756 1.00 45.34 O HETATM 2263 O HOH 202 47.135 -7.332 33.817 1.00 42.22 O HETATM 2264 O HOH 203 64.782 7.775 60.983 1.00 41.38 O HETATM 2265 O HOH 204 37.771 -11.772 61.719 1.00 51.49 O HETATM 2266 O HOH 205 30.344 -7.860 45.664 1.00 50.53 O HETATM 2267 O HOH 206 30.094 -4.850 41.499 1.00 54.42 O HETATM 2268 O HOH 207 69.746 -4.931 46.218 1.00 38.71 O HETATM 2269 O HOH 208 61.795 10.427 58.878 1.00 31.19 O HETATM 2270 O HOH 209 61.860 -17.220 57.828 1.00 46.02 O HETATM 2271 O HOH 210 46.430 -17.894 36.987 1.00 48.35 O HETATM 2272 O HOH 211 65.185 7.258 45.619 1.00 47.80 O HETATM 2273 O HOH 212 41.014 10.761 50.990 1.00 45.48 O HETATM 2274 O HOH 213 58.735 2.382 71.321 1.00 42.73 O HETATM 2275 O HOH 214 29.237 -7.644 53.858 1.00 37.71 O HETATM 2276 O HOH 215 36.310 -0.969 33.069 1.00 45.63 O HETATM 2277 O HOH 216 50.566 11.363 32.068 1.00 49.37 O HETATM 2278 O HOH 217 40.052 -9.361 65.022 1.00 50.52 O HETATM 2279 O HOH 218 64.694 -13.864 55.591 1.00 44.38 O HETATM 2280 O HOH 219 62.867 -18.593 60.039 1.00 60.97 O HETATM 2281 O HOH 220 68.424 1.308 55.378 1.00 30.19 O HETATM 2282 O HOH 221 69.509 -2.584 57.738 1.00 49.72 O HETATM 2283 O HOH 222 61.880 -4.490 36.265 1.00 41.38 O HETATM 2284 O HOH 223 70.249 -5.360 58.112 1.00 46.62 O HETATM 2285 O HOH 224 50.873 -9.824 31.952 1.00 40.91 O HETATM 2286 O HOH 225 33.959 -7.880 39.269 1.00 52.82 O HETATM 2287 O HOH 226 67.862 -1.259 42.431 1.00 47.75 O HETATM 2288 O HOH 227 65.766 -10.578 59.789 1.00 24.43 O HETATM 2289 O HOH 228 63.764 -6.634 58.472 1.00 14.82 O HETATM 2290 O HOH 229 38.159 8.737 59.545 1.00 46.77 O HETATM 2291 O HOH 230 45.890 -15.013 68.068 1.00 30.39 O HETATM 2292 O HOH 231 44.694 -18.028 34.543 1.00 53.64 O HETATM 2293 O HOH 232 47.372 -20.105 37.521 1.00 50.08 O HETATM 2294 O HOH 233 66.155 -5.032 58.757 1.00 19.95 O HETATM 2295 O HOH 234 64.526 -0.452 36.908 1.00 22.96 O HETATM 2296 O HOH 235 63.634 -14.845 47.534 1.00 49.89 O HETATM 2297 O HOH 236 68.734 -11.931 63.174 1.00 52.35 O HETATM 2298 O HOH 237 67.528 -7.327 62.269 1.00 40.51 O HETATM 2299 O HOH 238 66.939 -2.330 58.154 1.00 20.82 O HETATM 2300 O HOH 239 60.144 16.138 53.331 1.00 43.83 O HETATM 2301 O HOH 240 28.707 -3.767 39.447 1.00 47.66 O HETATM 2302 O HOH 241 63.572 2.557 32.199 1.00 43.30 O HETATM 2303 O HOH 242 68.038 -8.869 59.707 1.00 29.69 O HETATM 2304 O HOH 243 49.594 10.329 66.584 1.00 27.53 O HETATM 2305 O HOH 244 67.658 0.452 40.340 1.00 33.29 O HETATM 2306 O HOH 245 45.443 -19.356 38.441 1.00 55.77 O HETATM 2307 O HOH 246 68.942 2.728 57.632 1.00 48.16 O HETATM 2308 O HOH 247 61.498 13.651 52.666 1.00 26.63 O HETATM 2309 O HOH 248 67.747 3.212 40.176 1.00 44.92 O HETATM 2310 O HOH 249 66.722 -13.012 58.460 1.00 46.82 O HETATM 2311 O HOH 250 35.532 -7.361 36.534 1.00 43.96 O HETATM 2312 O HOH 251 66.297 1.294 35.331 1.00 43.89 O HETATM 2313 O HOH 252 69.831 -3.399 41.712 1.00 60.26 O HETATM 2314 O HOH 253 71.744 -9.032 63.360 1.00 59.99 O HETATM 2315 O HOH 254 63.127 -21.045 60.835 1.00 44.12 O HETATM 2316 O HOH 255 65.084 -17.202 58.316 1.00 53.10 O HETATM 2317 O HOH 256 70.324 -10.426 59.691 1.00 47.89 O HETATM 2318 O HOH 257 62.984 -18.033 43.071 1.00 34.22 O HETATM 2319 O HOH 258 72.049 -6.236 60.052 1.00 46.08 O HETATM 2320 O HOH 259 72.452 -8.495 59.586 1.00 48.36 O HETATM 2321 O HOH 260 26.933 -10.193 45.609 1.00 48.29 O HETATM 2322 C01 FUJ A 261 46.708 14.890 49.427 1.00 0.06 C HETATM 2323 O02 FUJ A 261 47.735 15.421 48.689 1.00 -0.32 O HETATM 2324 C03 FUJ A 261 48.518 14.478 48.034 1.00 0.09 C HETATM 2325 C04 FUJ A 261 48.693 13.200 48.490 1.00 -0.03 C HETATM 2326 C05 FUJ A 261 49.476 12.317 47.773 1.00 -0.06 C HETATM 2327 C06 FUJ A 261 50.072 12.730 46.595 1.00 0.02 C HETATM 2328 C17 FUJ A 261 49.901 13.996 46.147 1.00 0.14 C HETATM 2329 C18 FUJ A 261 49.118 14.852 46.890 1.00 0.01 C HETATM 2330 H7 FUJ A 261 48.980 15.868 46.538 1.00 0.05 H HETATM 2331 O16 FUJ A 261 50.452 14.449 45.016 1.00 -0.22 O HETATM 2332 C14 FUJ A 261 51.125 13.650 44.228 1.00 0.24 C HETATM 2333 C13 FUJ A 261 51.340 12.311 44.603 1.00 0.01 C HETATM 2334 C07 FUJ A 261 50.883 11.922 45.835 1.00 -0.01 C HETATM 2335 C08 FUJ A 261 51.002 10.465 46.265 1.00 0.06 C HETATM 2336 P09 FUJ A 261 49.471 9.437 45.864 1.00 0.07 P HETATM 2337 O10 FUJ A 261 48.547 9.556 46.996 1.00 -0.56 O HETATM 2338 O11 FUJ A 261 49.934 7.983 45.717 1.00 -0.56 O HETATM 2339 O12 FUJ A 261 48.862 9.922 44.593 1.00 -0.56 O HETATM 2340 H8 FUJ A 261 51.167 10.435 47.352 1.00 0.07 H HETATM 2341 H9 FUJ A 261 51.866 10.019 45.750 1.00 0.07 H HETATM 2342 H6 FUJ A 261 51.849 11.612 43.941 1.00 0.04 H HETATM 2343 O15 FUJ A 261 51.506 14.072 43.237 1.00 -0.39 O HETATM 2344 H5 FUJ A 261 49.623 11.305 48.132 1.00 0.06 H HETATM 2345 H4 FUJ A 261 48.218 12.882 49.411 1.00 0.05 H HETATM 2346 H1 FUJ A 261 46.144 15.703 49.908 1.00 0.06 H HETATM 2347 H2 FUJ A 261 47.118 14.222 50.199 1.00 0.06 H HETATM 2348 H3 FUJ A 261 46.038 14.320 48.766 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 747 745 746 2062 CONECT 761 760 763 2062 CONECT 785 783 2063 CONECT 1341 1339 1340 2062 CONECT 1494 1493 2063 CONECT 1867 1865 1866 2063 CONECT 2062 747 761 1341 CONECT 2063 785 1494 1867 CONECT 2322 2323 2346 2347 2348 CONECT 2323 2322 2324 CONECT 2324 2323 2325 2329 CONECT 2325 2324 2326 2345 CONECT 2326 2325 2327 2344 CONECT 2327 2326 2328 2334 CONECT 2328 2327 2329 2331 CONECT 2329 2324 2328 2330 CONECT 2330 2329 CONECT 2331 2328 2332 CONECT 2332 2331 2333 2343 CONECT 2333 2332 2334 2342 CONECT 2334 2327 2333 2335 CONECT 2335 2334 2336 2340 2341 CONECT 2336 2335 2337 2338 2339 CONECT 2337 2336 CONECT 2338 2336 CONECT 2339 2336 CONECT 2340 2335 CONECT 2341 2335 CONECT 2342 2333 CONECT 2343 2332 CONECT 2344 2326 CONECT 2345 2325 CONECT 2346 2322 CONECT 2347 2322 CONECT 2348 2322 MASTER 0 0 0 0 0 0 0 0 2347 1 39 18 END
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PDBbind
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RCSB PDB
PDBbind
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6d1h
RCSB PDB
PDBbind
233aa, >6D1H_1|Chain... at 98%
6d1g
RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6d16
RCSB PDB
PDBbind
FUJ
Entry Information
PDB ID
6d1b
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Metallo-beta-lactamase type 2
Ligand Name
FUJ
EC.Number
E.C.3.5.2.6
Resolution
1.25(Å)
Affinity (Kd/Ki/IC50)
Ki=123.7uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 8480-8496
Ligand Properties
Formula
C
1
1
H
1
2
O
6
P
Molecular Weight
271.183
Exact Mass
271.037
No. of atoms
30
No. of bonds
31
Polar Surface Area
113.72
LOGP Value
-0.76 (
Computed with XLOGP3
)
1.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
Canonical SMILES
COc1ccc2c(c1)oc(=O)cc2CP(O)(O)O
InChI String
InChI=1S/C11H13O6P/c1-16-8-2-3-9-7(6-18(13,14)15)4-11(12)17-10(9)5-8/h2-5,13-15,18H,6H2,1H3
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):
C7C422
Entrez Gene ID
NCBI Entrez Gene ID:
61419528
ASD
Information of known allosteric effects of PDB entries
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