Browse entries in the PDBbind-CN Database
HEADER 6EFJ_COMPLEX COMPND 6EFJ_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 O A 5E 36 ATOM 1 N GLY A 42 44.860 2.769 68.927 1.00 30.55 N ATOM 2 CA GLY A 42 46.083 2.739 69.709 1.00 33.65 C ATOM 3 C GLY A 42 47.324 3.023 68.884 1.00 29.01 C ATOM 4 O GLY A 42 48.070 2.112 68.533 1.00 31.34 O ATOM 5 HN3 GLY A 42 44.912 2.050 68.177 1.00 0.00 H ATOM 6 HN2 GLY A 42 44.746 3.710 68.500 1.00 0.00 H ATOM 7 HN1 GLY A 42 44.049 2.568 69.546 1.00 0.00 H ATOM 8 N ASP A 43 47.554 4.298 68.583 1.00 22.89 N ATOM 9 CA ASP A 43 48.666 4.681 67.727 1.00 16.87 C ATOM 10 C ASP A 43 49.975 4.607 68.505 1.00 22.62 C ATOM 11 O ASP A 43 50.070 5.117 69.627 1.00 26.11 O ATOM 12 CB ASP A 43 48.442 6.092 67.184 1.00 22.99 C ATOM 13 CG ASP A 43 47.430 6.132 66.055 1.00 20.99 C ATOM 14 OD1 ASP A 43 47.226 5.091 65.401 1.00 18.93 O ATOM 15 OD2 ASP A 43 46.851 7.216 65.813 1.00 31.76 O ATOM 16 H ASP A 43 46.928 5.034 68.967 1.00 0.00 H ATOM 17 N GLN A 44 50.986 3.975 67.910 1.00 14.40 N ATOM 18 CA GLN A 44 52.302 3.875 68.517 1.00 11.50 C ATOM 19 C GLN A 44 53.267 4.746 67.724 1.00 12.21 C ATOM 20 O GLN A 44 53.494 4.498 66.537 1.00 12.25 O ATOM 21 CB GLN A 44 52.792 2.429 68.555 1.00 18.25 C ATOM 22 CG GLN A 44 54.093 2.306 69.300 1.00 23.63 C ATOM 23 CD GLN A 44 54.697 0.919 69.270 1.00 28.98 C ATOM 24 OE1 GLN A 44 55.920 0.778 69.330 1.00 21.28 O ATOM 25 NE2 GLN A 44 53.845 -0.115 69.184 1.00 23.25 N ATOM 26 HE22 GLN A 44 52.821 0.058 69.136 1.00 0.00 H ATOM 27 HE21 GLN A 44 54.209 -1.089 69.166 1.00 0.00 H ATOM 28 H GLN A 44 50.828 3.538 66.979 1.00 0.00 H ATOM 29 N ARG A 45 53.826 5.765 68.377 1.00 12.07 N ATOM 30 CA ARG A 45 54.732 6.692 67.715 1.00 9.00 C ATOM 31 C ARG A 45 56.163 6.188 67.813 1.00 13.80 C ATOM 32 O ARG A 45 56.617 5.778 68.889 1.00 15.28 O ATOM 33 CB ARG A 45 54.609 8.081 68.338 1.00 10.29 C ATOM 34 CG ARG A 45 53.210 8.637 68.299 1.00 10.54 C ATOM 35 CD ARG A 45 53.158 10.038 68.882 1.00 11.51 C ATOM 36 NE ARG A 45 53.545 10.051 70.289 1.00 11.73 N ATOM 37 CZ ARG A 45 52.682 9.910 71.285 1.00 14.48 C ATOM 38 NH1 ARG A 45 53.105 9.945 72.540 1.00 13.91 N ATOM 39 NH2 ARG A 45 51.395 9.750 71.018 1.00 13.50 N ATOM 40 HE ARG A 45 54.551 10.178 70.522 1.00 0.00 H ATOM 41 HH12 ARG A 45 52.427 9.834 73.321 1.00 0.00 H ATOM 42 HH11 ARG A 45 54.115 10.083 72.745 1.00 0.00 H ATOM 43 HH22 ARG A 45 50.713 9.639 71.795 1.00 0.00 H ATOM 44 HH21 ARG A 45 51.066 9.736 70.031 1.00 0.00 H ATOM 45 H ARG A 45 53.609 5.901 69.385 1.00 0.00 H ATOM 46 N PHE A 46 56.867 6.208 66.687 1.00 9.95 N ATOM 47 CA PHE A 46 58.256 5.759 66.632 1.00 9.85 C ATOM 48 C PHE A 46 59.000 6.694 65.699 1.00 11.90 C ATOM 49 O PHE A 46 58.783 6.655 64.483 1.00 12.48 O ATOM 50 CB PHE A 46 58.351 4.315 66.145 1.00 12.69 C ATOM 51 CG PHE A 46 59.742 3.752 66.148 1.00 11.50 C ATOM 52 CD1 PHE A 46 60.254 3.126 67.278 1.00 15.52 C ATOM 53 CD2 PHE A 46 60.511 3.773 64.998 1.00 12.79 C ATOM 54 CE1 PHE A 46 61.533 2.575 67.275 1.00 18.45 C ATOM 55 CE2 PHE A 46 61.794 3.239 64.980 1.00 12.99 C ATOM 56 CZ PHE A 46 62.309 2.631 66.122 1.00 14.85 C ATOM 57 H PHE A 46 56.415 6.554 65.817 1.00 0.00 H ATOM 58 N GLY A 47 59.885 7.506 66.264 1.00 20.21 N ATOM 59 CA GLY A 47 60.416 8.636 65.529 1.00 17.47 C ATOM 60 C GLY A 47 59.283 9.438 64.939 1.00 13.98 C ATOM 61 O GLY A 47 58.338 9.844 65.633 1.00 17.15 O ATOM 62 H GLY A 47 60.199 7.330 67.240 1.00 0.00 H ATOM 63 N ASP A 48 59.364 9.653 63.633 1.00 11.30 N ATOM 64 CA ASP A 48 58.380 10.439 62.908 1.00 16.36 C ATOM 65 C ASP A 48 57.318 9.580 62.247 1.00 10.13 C ATOM 66 O ASP A 48 56.519 10.095 61.459 1.00 9.43 O ATOM 67 CB ASP A 48 59.072 11.304 61.864 1.00 14.48 C ATOM 68 CG ASP A 48 58.319 12.584 61.592 1.00 14.92 C ATOM 69 OD1 ASP A 48 57.878 13.237 62.572 1.00 15.51 O ATOM 70 OD2 ASP A 48 58.180 12.927 60.404 1.00 16.63 O ATOM 71 H ASP A 48 60.162 9.243 63.107 1.00 0.00 H ATOM 72 N LEU A 49 57.274 8.289 62.562 1.00 8.58 N ATOM 73 CA LEU A 49 56.280 7.404 61.981 1.00 9.99 C ATOM 74 C LEU A 49 55.267 6.966 63.034 1.00 8.09 C ATOM 75 O LEU A 49 55.468 7.127 64.242 1.00 9.84 O ATOM 76 CB LEU A 49 56.956 6.184 61.333 1.00 11.01 C ATOM 77 CG LEU A 49 57.438 6.482 59.898 1.00 11.07 C ATOM 78 CD1 LEU A 49 58.734 7.294 59.882 1.00 15.30 C ATOM 79 CD2 LEU A 49 57.609 5.216 59.096 1.00 14.01 C ATOM 80 H LEU A 49 57.965 7.905 63.238 1.00 0.00 H ATOM 81 N VAL A 50 54.154 6.428 62.559 1.00 5.54 N ATOM 82 CA VAL A 50 53.085 5.963 63.430 1.00 5.97 C ATOM 83 C VAL A 50 52.725 4.543 63.021 1.00 9.10 C ATOM 84 O VAL A 50 52.573 4.256 61.825 1.00 10.28 O ATOM 85 CB VAL A 50 51.850 6.880 63.371 1.00 9.24 C ATOM 86 CG1 VAL A 50 50.767 6.350 64.285 1.00 12.04 C ATOM 87 CG2 VAL A 50 52.221 8.314 63.767 1.00 9.10 C ATOM 88 H VAL A 50 54.040 6.335 61.529 1.00 0.00 H ATOM 89 N PHE A 51 52.609 3.659 64.012 1.00 8.91 N ATOM 90 CA PHE A 51 52.257 2.262 63.806 1.00 9.28 C ATOM 91 C PHE A 51 50.995 1.959 64.596 1.00 10.87 C ATOM 92 O PHE A 51 50.916 2.273 65.792 1.00 12.65 O ATOM 93 CB PHE A 51 53.407 1.357 64.232 1.00 8.16 C ATOM 94 CG PHE A 51 54.669 1.653 63.497 1.00 8.36 C ATOM 95 CD1 PHE A 51 55.542 2.625 63.957 1.00 11.59 C ATOM 96 CD2 PHE A 51 54.947 1.010 62.306 1.00 12.73 C ATOM 97 CE1 PHE A 51 56.695 2.924 63.260 1.00 12.98 C ATOM 98 CE2 PHE A 51 56.083 1.305 61.598 1.00 8.96 C ATOM 99 CZ PHE A 51 56.966 2.261 62.072 1.00 10.45 C ATOM 100 H PHE A 51 52.779 3.985 64.985 1.00 0.00 H ATOM 101 N ARG A 52 50.019 1.344 63.932 1.00 7.95 N ATOM 102 CA ARG A 52 48.745 1.020 64.557 1.00 9.45 C ATOM 103 C ARG A 52 48.432 -0.450 64.328 1.00 8.98 C ATOM 104 O ARG A 52 48.314 -0.893 63.180 1.00 8.40 O ATOM 105 CB ARG A 52 47.606 1.888 64.018 1.00 10.50 C ATOM 106 CG ARG A 52 46.275 1.517 64.656 1.00 11.40 C ATOM 107 CD ARG A 52 45.112 2.251 64.038 1.00 12.37 C ATOM 108 NE ARG A 52 45.191 3.682 64.305 1.00 17.50 N ATOM 109 CZ ARG A 52 44.266 4.565 63.941 1.00 25.27 C ATOM 110 NH1 ARG A 52 43.175 4.167 63.295 1.00 22.97 N ATOM 111 NH2 ARG A 52 44.434 5.850 64.229 1.00 25.35 N ATOM 112 HE ARG A 52 46.026 4.036 64.814 1.00 0.00 H ATOM 113 HH12 ARG A 52 42.455 4.862 63.013 1.00 0.00 H ATOM 114 HH11 ARG A 52 43.041 3.160 63.072 1.00 0.00 H ATOM 115 HH22 ARG A 52 43.713 6.545 63.947 1.00 0.00 H ATOM 116 HH21 ARG A 52 45.286 6.162 64.737 1.00 0.00 H ATOM 117 H ARG A 52 50.171 1.087 62.936 1.00 0.00 H ATOM 118 N GLN A 53 48.281 -1.198 65.419 1.00 8.28 N ATOM 119 CA GLN A 53 47.921 -2.606 65.294 1.00 9.40 C ATOM 120 C GLN A 53 46.479 -2.725 64.822 1.00 13.44 C ATOM 121 O GLN A 53 45.574 -2.103 65.392 1.00 12.48 O ATOM 122 CB GLN A 53 48.114 -3.319 66.640 1.00 10.39 C ATOM 123 CG GLN A 53 47.882 -4.830 66.597 1.00 14.26 C ATOM 124 CD GLN A 53 48.667 -5.595 67.662 1.00 16.98 C ATOM 125 OE1 GLN A 53 49.048 -5.044 68.694 1.00 20.60 O ATOM 126 NE2 GLN A 53 48.916 -6.868 67.405 1.00 17.50 N ATOM 127 HE22 GLN A 53 48.576 -7.296 66.520 1.00 0.00 H ATOM 128 HE21 GLN A 53 49.452 -7.441 68.088 1.00 0.00 H ATOM 129 H GLN A 53 48.420 -0.778 66.360 1.00 0.00 H ATOM 130 N LEU A 54 46.264 -3.508 63.763 1.00 11.09 N ATOM 131 CA LEU A 54 44.922 -3.760 63.264 1.00 11.19 C ATOM 132 C LEU A 54 44.432 -5.164 63.558 1.00 13.56 C ATOM 133 O LEU A 54 43.217 -5.391 63.569 1.00 16.50 O ATOM 134 CB LEU A 54 44.860 -3.548 61.747 1.00 11.23 C ATOM 135 CG LEU A 54 45.404 -2.211 61.255 1.00 13.26 C ATOM 136 CD1 LEU A 54 45.391 -2.192 59.733 1.00 12.21 C ATOM 137 CD2 LEU A 54 44.582 -1.071 61.826 1.00 14.56 C ATOM 138 H LEU A 54 47.075 -3.948 63.284 1.00 0.00 H ATOM 139 N ALA A 55 45.345 -6.093 63.769 1.00 13.11 N ATOM 140 CA ALA A 55 45.037 -7.495 63.998 1.00 14.09 C ATOM 141 C ALA A 55 46.195 -8.063 64.794 1.00 9.72 C ATOM 142 O ALA A 55 47.247 -7.425 64.906 1.00 11.77 O ATOM 143 CB ALA A 55 44.850 -8.239 62.668 1.00 13.23 C ATOM 144 H ALA A 55 46.344 -5.805 63.772 1.00 0.00 H ATOM 145 N PRO A 56 46.040 -9.253 65.386 1.00 13.27 N ATOM 146 CA PRO A 56 47.151 -9.783 66.198 1.00 12.84 C ATOM 147 C PRO A 56 48.481 -9.824 65.460 1.00 10.71 C ATOM 148 O PRO A 56 49.541 -9.661 66.087 1.00 11.38 O ATOM 149 CB PRO A 56 46.666 -11.188 66.579 1.00 16.72 C ATOM 150 CG PRO A 56 45.194 -11.058 66.627 1.00 17.39 C ATOM 151 CD PRO A 56 44.839 -10.099 65.487 1.00 14.01 C ATOM 152 N ASN A 57 48.450 -9.982 64.139 1.00 12.00 N ATOM 153 CA ASN A 57 49.656 -10.104 63.333 1.00 12.12 C ATOM 154 C ASN A 57 49.772 -9.031 62.255 1.00 8.14 C ATOM 155 O ASN A 57 50.540 -9.222 61.317 1.00 10.42 O ATOM 156 CB ASN A 57 49.708 -11.478 62.652 1.00 12.92 C ATOM 157 CG ASN A 57 49.923 -12.636 63.631 1.00 17.28 C ATOM 158 OD1 ASN A 57 49.670 -12.522 64.833 1.00 21.79 O ATOM 159 ND2 ASN A 57 50.400 -13.773 63.101 1.00 20.49 N ATOM 160 HD22 ASN A 57 50.600 -13.828 62.082 1.00 0.00 H ATOM 161 HD21 ASN A 57 50.569 -14.599 63.709 1.00 0.00 H ATOM 162 H ASN A 57 47.526 -10.020 63.663 1.00 0.00 H ATOM 163 N VAL A 58 49.008 -7.929 62.332 1.00 9.75 N ATOM 164 CA VAL A 58 48.986 -6.914 61.279 1.00 9.60 C ATOM 165 C VAL A 58 49.070 -5.531 61.910 1.00 8.16 C ATOM 166 O VAL A 58 48.355 -5.238 62.873 1.00 9.55 O ATOM 167 CB VAL A 58 47.719 -7.008 60.389 1.00 7.49 C ATOM 168 CG1 VAL A 58 47.738 -5.957 59.312 1.00 11.09 C ATOM 169 CG2 VAL A 58 47.571 -8.411 59.759 1.00 10.99 C ATOM 170 H VAL A 58 48.410 -7.792 63.172 1.00 0.00 H ATOM 171 N TRP A 59 49.911 -4.664 61.330 1.00 9.55 N ATOM 172 CA TRP A 59 50.028 -3.267 61.725 1.00 9.87 C ATOM 173 C TRP A 59 49.962 -2.399 60.477 1.00 9.56 C ATOM 174 O TRP A 59 50.423 -2.800 59.406 1.00 10.48 O ATOM 175 CB TRP A 59 51.359 -2.968 62.457 1.00 9.28 C ATOM 176 CG TRP A 59 51.539 -3.751 63.705 1.00 11.03 C ATOM 177 CD1 TRP A 59 51.359 -3.306 64.980 1.00 12.36 C ATOM 178 CD2 TRP A 59 51.929 -5.128 63.808 1.00 10.96 C ATOM 179 NE1 TRP A 59 51.609 -4.325 65.878 1.00 11.51 N ATOM 180 CE2 TRP A 59 51.963 -5.449 65.182 1.00 10.98 C ATOM 181 CE3 TRP A 59 52.257 -6.116 62.876 1.00 11.27 C ATOM 182 CZ2 TRP A 59 52.300 -6.721 65.645 1.00 10.66 C ATOM 183 CZ3 TRP A 59 52.607 -7.374 63.342 1.00 12.93 C ATOM 184 CH2 TRP A 59 52.622 -7.662 64.710 1.00 16.26 C ATOM 185 HE1 TRP A 59 51.540 -4.250 66.913 1.00 0.00 H ATOM 186 H TRP A 59 50.513 -5.008 60.555 1.00 0.00 H ATOM 187 N GLN A 60 49.396 -1.206 60.626 1.00 8.57 N ATOM 188 CA GLN A 60 49.466 -0.181 59.593 1.00 7.28 C ATOM 189 C GLN A 60 50.645 0.735 59.904 1.00 6.29 C ATOM 190 O GLN A 60 50.805 1.173 61.050 1.00 7.49 O ATOM 191 CB GLN A 60 48.166 0.622 59.554 1.00 8.42 C ATOM 192 CG GLN A 60 48.152 1.784 58.594 1.00 10.18 C ATOM 193 CD GLN A 60 46.866 2.594 58.716 1.00 10.25 C ATOM 194 OE1 GLN A 60 45.967 2.475 57.885 1.00 10.60 O ATOM 195 NE2 GLN A 60 46.779 3.426 59.763 1.00 10.60 N ATOM 196 HE22 GLN A 60 47.565 3.493 60.440 1.00 0.00 H ATOM 197 HE21 GLN A 60 45.925 4.004 59.898 1.00 0.00 H ATOM 198 H GLN A 60 48.887 -0.997 61.508 1.00 0.00 H ATOM 199 N HIS A 61 51.482 1.009 58.899 1.00 7.46 N ATOM 200 CA HIS A 61 52.553 1.983 59.065 1.00 6.41 C ATOM 201 C HIS A 61 52.162 3.275 58.360 1.00 5.16 C ATOM 202 O HIS A 61 51.464 3.249 57.345 1.00 8.22 O ATOM 203 CB HIS A 61 53.927 1.470 58.586 1.00 6.79 C ATOM 204 CG HIS A 61 54.063 1.200 57.108 1.00 6.00 C ATOM 205 ND1 HIS A 61 54.187 2.195 56.160 1.00 6.15 N ATOM 206 CD2 HIS A 61 54.217 0.031 56.439 1.00 7.05 C ATOM 207 CE1 HIS A 61 54.339 1.652 54.965 1.00 5.94 C ATOM 208 NE2 HIS A 61 54.380 0.337 55.112 1.00 5.25 N ATOM 209 H HIS A 61 51.368 0.521 57.988 1.00 0.00 H ATOM 210 N THR A 62 52.521 4.406 58.964 1.00 7.21 N ATOM 211 CA THR A 62 52.100 5.706 58.461 1.00 6.39 C ATOM 212 C THR A 62 53.288 6.653 58.490 1.00 7.25 C ATOM 213 O THR A 62 53.984 6.736 59.501 1.00 7.46 O ATOM 214 CB THR A 62 50.939 6.280 59.289 1.00 7.58 C ATOM 215 OG1 THR A 62 49.819 5.385 59.251 1.00 10.01 O ATOM 216 CG2 THR A 62 50.488 7.611 58.742 1.00 8.74 C ATOM 217 HG1 THR A 62 49.524 5.267 58.313 1.00 0.00 H ATOM 218 H THR A 62 53.116 4.360 59.815 1.00 0.00 H ATOM 219 N SER A 63 53.539 7.328 57.370 1.00 6.29 N ATOM 220 CA SER A 63 54.627 8.287 57.246 1.00 7.87 C ATOM 221 C SER A 63 54.082 9.556 56.602 1.00 8.00 C ATOM 222 O SER A 63 53.030 9.542 55.958 1.00 6.64 O ATOM 223 CB SER A 63 55.789 7.720 56.429 1.00 6.91 C ATOM 224 OG SER A 63 55.337 7.283 55.168 1.00 8.46 O ATOM 225 HG SER A 63 54.654 6.577 55.290 1.00 0.00 H ATOM 226 H SER A 63 52.929 7.162 56.544 1.00 0.00 H ATOM 227 N TYR A 64 54.808 10.665 56.786 1.00 8.56 N ATOM 228 CA TYR A 64 54.282 11.983 56.460 1.00 8.90 C ATOM 229 C TYR A 64 55.208 12.740 55.519 1.00 9.40 C ATOM 230 O TYR A 64 56.434 12.704 55.666 1.00 10.52 O ATOM 231 CB TYR A 64 54.041 12.797 57.743 1.00 10.05 C ATOM 232 CG TYR A 64 52.828 12.305 58.491 1.00 8.96 C ATOM 233 CD1 TYR A 64 51.561 12.787 58.194 1.00 8.60 C ATOM 234 CD2 TYR A 64 52.946 11.325 59.462 1.00 9.54 C ATOM 235 CE1 TYR A 64 50.452 12.323 58.866 1.00 10.01 C ATOM 236 CE2 TYR A 64 51.851 10.857 60.131 1.00 10.04 C ATOM 237 CZ TYR A 64 50.604 11.348 59.830 1.00 10.00 C ATOM 238 OH TYR A 64 49.518 10.854 60.515 1.00 13.36 O ATOM 239 HH TYR A 64 49.449 9.878 60.362 1.00 0.00 H ATOM 240 H TYR A 64 55.771 10.584 57.171 1.00 0.00 H ATOM 241 N LEU A 65 54.601 13.436 54.551 1.00 11.88 N ATOM 242 CA LEU A 65 55.304 14.320 53.624 1.00 9.20 C ATOM 243 C LEU A 65 54.609 15.675 53.636 1.00 10.20 C ATOM 244 O LEU A 65 53.400 15.752 53.393 1.00 14.05 O ATOM 245 CB LEU A 65 55.321 13.760 52.203 1.00 11.87 C ATOM 246 CG LEU A 65 56.276 14.494 51.256 1.00 15.04 C ATOM 247 CD1 LEU A 65 57.731 14.222 51.650 1.00 14.48 C ATOM 248 CD2 LEU A 65 56.027 14.130 49.793 1.00 20.53 C ATOM 249 H LEU A 65 53.570 13.343 54.453 1.00 0.00 H ATOM 250 N ASP A 66 55.370 16.743 53.900 1.00 13.32 N ATOM 251 CA ASP A 66 54.810 18.072 54.132 1.00 12.60 C ATOM 252 C ASP A 66 55.468 19.037 53.160 1.00 10.92 C ATOM 253 O ASP A 66 56.666 19.315 53.277 1.00 18.87 O ATOM 254 CB ASP A 66 55.041 18.501 55.586 1.00 13.18 C ATOM 255 CG ASP A 66 54.519 19.903 55.901 1.00 21.23 C ATOM 256 OD1 ASP A 66 53.485 20.345 55.347 1.00 15.99 O ATOM 257 OD2 ASP A 66 55.155 20.563 56.751 1.00 27.24 O ATOM 258 H ASP A 66 56.402 16.622 53.942 1.00 0.00 H ATOM 259 N MET A 67 54.694 19.528 52.202 1.00 13.43 N ATOM 260 CA MET A 67 55.152 20.434 51.158 1.00 16.11 C ATOM 261 C MET A 67 54.575 21.824 51.376 1.00 20.13 C ATOM 262 O MET A 67 53.572 21.986 52.076 1.00 13.13 O ATOM 263 CB MET A 67 54.737 19.916 49.767 1.00 16.38 C ATOM 264 CG MET A 67 55.546 18.707 49.278 1.00 21.86 C ATOM 265 SD MET A 67 57.334 19.006 49.242 1.00 22.93 S ATOM 266 CE MET A 67 57.941 17.532 50.069 1.00 20.21 C ATOM 267 H MET A 67 53.693 19.247 52.196 1.00 0.00 H ATOM 268 N PRO A 68 55.178 22.857 50.798 1.00 15.54 N ATOM 269 CA PRO A 68 54.615 24.201 50.969 1.00 15.99 C ATOM 270 C PRO A 68 53.259 24.321 50.294 1.00 17.63 C ATOM 271 O PRO A 68 52.985 23.698 49.264 1.00 21.87 O ATOM 272 CB PRO A 68 55.659 25.116 50.319 1.00 20.23 C ATOM 273 CG PRO A 68 56.461 24.219 49.444 1.00 23.45 C ATOM 274 CD PRO A 68 56.492 22.899 50.140 1.00 16.51 C ATOM 275 N GLY A 69 52.391 25.117 50.912 1.00 22.84 N ATOM 276 CA GLY A 69 51.061 25.288 50.369 1.00 25.31 C ATOM 277 C GLY A 69 50.154 24.087 50.489 1.00 31.34 C ATOM 278 O GLY A 69 49.108 24.055 49.832 1.00 26.28 O ATOM 279 H GLY A 69 52.667 25.615 51.782 1.00 0.00 H ATOM 280 N PHE A 70 50.522 23.091 51.298 1.00 20.35 N ATOM 281 CA PHE A 70 49.647 21.959 51.570 1.00 22.00 C ATOM 282 C PHE A 70 49.940 21.442 52.966 1.00 15.49 C ATOM 283 O PHE A 70 51.050 21.605 53.478 1.00 21.26 O ATOM 284 CB PHE A 70 49.829 20.827 50.555 1.00 23.79 C ATOM 285 CG PHE A 70 49.305 21.155 49.191 1.00 31.98 C ATOM 286 CD1 PHE A 70 47.947 21.343 48.983 1.00 31.77 C ATOM 287 CD2 PHE A 70 50.171 21.289 48.120 1.00 35.23 C ATOM 288 CE1 PHE A 70 47.462 21.654 47.729 1.00 40.29 C ATOM 289 CE2 PHE A 70 49.693 21.597 46.856 1.00 36.11 C ATOM 290 CZ PHE A 70 48.338 21.779 46.660 1.00 39.99 C ATOM 291 H PHE A 70 51.460 23.124 51.747 1.00 0.00 H ATOM 292 N GLY A 71 48.932 20.831 53.583 1.00 15.63 N ATOM 293 CA GLY A 71 49.162 20.162 54.842 1.00 15.54 C ATOM 294 C GLY A 71 50.050 18.942 54.681 1.00 18.09 C ATOM 295 O GLY A 71 50.273 18.435 53.581 1.00 17.62 O ATOM 296 H GLY A 71 47.982 20.835 53.160 1.00 0.00 H ATOM 297 N ALA A 72 50.584 18.462 55.802 1.00 13.92 N ATOM 298 CA ALA A 72 51.314 17.203 55.778 1.00 14.92 C ATOM 299 C ALA A 72 50.378 16.089 55.325 1.00 17.98 C ATOM 300 O ALA A 72 49.205 16.046 55.712 1.00 16.37 O ATOM 301 CB ALA A 72 51.900 16.906 57.164 1.00 15.61 C ATOM 302 H ALA A 72 50.480 18.986 56.694 1.00 0.00 H ATOM 303 N VAL A 73 50.881 15.216 54.457 1.00 9.44 N ATOM 304 CA VAL A 73 50.083 14.161 53.841 1.00 9.30 C ATOM 305 C VAL A 73 50.516 12.839 54.454 1.00 10.58 C ATOM 306 O VAL A 73 51.699 12.484 54.393 1.00 11.07 O ATOM 307 CB VAL A 73 50.261 14.140 52.318 1.00 11.09 C ATOM 308 CG1 VAL A 73 49.478 12.984 51.709 1.00 13.45 C ATOM 309 CG2 VAL A 73 49.838 15.477 51.725 1.00 18.77 C ATOM 310 H VAL A 73 51.888 15.288 54.206 1.00 0.00 H ATOM 311 N ALA A 74 49.564 12.125 55.049 1.00 9.87 N ATOM 312 CA ALA A 74 49.809 10.784 55.565 1.00 10.76 C ATOM 313 C ALA A 74 49.760 9.777 54.427 1.00 9.54 C ATOM 314 O ALA A 74 48.939 9.891 53.512 1.00 12.58 O ATOM 315 CB ALA A 74 48.764 10.409 56.616 1.00 9.00 C ATOM 316 H ALA A 74 48.614 12.537 55.149 1.00 0.00 H ATOM 317 N SER A 75 50.652 8.791 54.485 1.00 9.15 N ATOM 318 CA SER A 75 50.550 7.609 53.629 1.00 8.59 C ATOM 319 C SER A 75 50.654 6.357 54.487 1.00 5.51 C ATOM 320 O SER A 75 51.567 6.243 55.314 1.00 8.10 O ATOM 321 CB SER A 75 51.636 7.608 52.555 1.00 8.36 C ATOM 322 OG SER A 75 51.483 6.510 51.679 1.00 10.16 O ATOM 323 HG SER A 75 51.545 5.667 52.194 1.00 0.00 H ATOM 324 H SER A 75 51.443 8.863 55.157 1.00 0.00 H ATOM 325 N ASN A 76 49.747 5.403 54.263 1.00 7.00 N ATOM 326 CA ASN A 76 49.691 4.167 55.033 1.00 7.61 C ATOM 327 C ASN A 76 50.154 2.969 54.210 1.00 7.76 C ATOM 328 O ASN A 76 49.851 2.865 53.018 1.00 9.99 O ATOM 329 CB ASN A 76 48.271 3.898 55.538 1.00 9.84 C ATOM 330 CG ASN A 76 47.687 5.071 56.301 1.00 9.40 C ATOM 331 OD1 ASN A 76 48.365 5.696 57.122 1.00 11.21 O ATOM 332 ND2 ASN A 76 46.418 5.372 56.035 1.00 10.88 N ATOM 333 HD22 ASN A 76 45.887 4.816 55.335 1.00 0.00 H ATOM 334 HD21 ASN A 76 45.957 6.163 56.528 1.00 0.00 H ATOM 335 H ASN A 76 49.050 5.548 53.505 1.00 0.00 H ATOM 336 N GLY A 77 50.899 2.073 54.860 1.00 7.91 N ATOM 337 CA GLY A 77 51.166 0.737 54.346 1.00 8.22 C ATOM 338 C GLY A 77 50.883 -0.299 55.417 1.00 8.72 C ATOM 339 O GLY A 77 50.303 0.030 56.460 1.00 7.48 O ATOM 340 H GLY A 77 51.309 2.342 55.777 1.00 0.00 H ATOM 341 N LEU A 78 51.301 -1.546 55.196 1.00 7.08 N ATOM 342 CA LEU A 78 51.015 -2.641 56.114 1.00 8.23 C ATOM 343 C LEU A 78 52.289 -3.372 56.525 1.00 6.10 C ATOM 344 O LEU A 78 53.274 -3.404 55.787 1.00 7.18 O ATOM 345 CB LEU A 78 50.043 -3.645 55.470 1.00 8.10 C ATOM 346 CG LEU A 78 48.607 -3.133 55.362 1.00 10.98 C ATOM 347 CD1 LEU A 78 47.774 -4.127 54.602 1.00 15.52 C ATOM 348 CD2 LEU A 78 48.039 -2.910 56.754 1.00 12.01 C ATOM 349 H LEU A 78 51.852 -1.744 54.336 1.00 0.00 H ATOM 350 N ILE A 79 52.252 -3.963 57.722 1.00 8.06 N ATOM 351 CA ILE A 79 53.289 -4.856 58.239 1.00 8.29 C ATOM 352 C ILE A 79 52.565 -6.103 58.728 1.00 7.14 C ATOM 353 O ILE A 79 51.600 -5.995 59.494 1.00 7.77 O ATOM 354 CB ILE A 79 54.093 -4.216 59.396 1.00 6.41 C ATOM 355 CG1 ILE A 79 54.823 -2.933 58.948 1.00 5.88 C ATOM 356 CG2 ILE A 79 55.053 -5.236 60.049 1.00 9.13 C ATOM 357 CD1 ILE A 79 55.500 -2.197 60.084 1.00 8.05 C ATOM 358 H ILE A 79 51.429 -3.775 58.329 1.00 0.00 H ATOM 359 N VAL A 80 53.018 -7.283 58.298 1.00 7.96 N ATOM 360 CA VAL A 80 52.360 -8.542 58.657 1.00 9.87 C ATOM 361 C VAL A 80 53.395 -9.509 59.214 1.00 10.14 C ATOM 362 O VAL A 80 54.392 -9.805 58.545 1.00 9.97 O ATOM 363 CB VAL A 80 51.648 -9.184 57.452 1.00 6.90 C ATOM 364 CG1 VAL A 80 51.003 -10.517 57.863 1.00 10.82 C ATOM 365 CG2 VAL A 80 50.612 -8.241 56.845 1.00 9.87 C ATOM 366 H VAL A 80 53.862 -7.309 57.691 1.00 0.00 H ATOM 367 N ARG A 81 53.162 -10.020 60.425 1.00 10.77 N ATOM 368 CA ARG A 81 53.974 -11.125 60.926 1.00 9.86 C ATOM 369 C ARG A 81 53.334 -12.420 60.456 1.00 10.25 C ATOM 370 O ARG A 81 52.150 -12.660 60.716 1.00 11.17 O ATOM 371 CB ARG A 81 54.104 -11.130 62.451 1.00 10.18 C ATOM 372 CG ARG A 81 55.061 -12.236 62.940 1.00 11.67 C ATOM 373 CD ARG A 81 55.202 -12.336 64.487 1.00 10.18 C ATOM 374 NE ARG A 81 53.934 -12.647 65.142 1.00 10.93 N ATOM 375 CZ ARG A 81 53.362 -13.851 65.119 1.00 12.76 C ATOM 376 NH1 ARG A 81 53.953 -14.859 64.488 1.00 11.95 N ATOM 377 NH2 ARG A 81 52.192 -14.045 65.721 1.00 16.28 N ATOM 378 HE ARG A 81 53.449 -11.884 65.657 1.00 0.00 H ATOM 379 HH12 ARG A 81 53.504 -15.797 64.472 1.00 0.00 H ATOM 380 HH11 ARG A 81 54.865 -14.710 64.010 1.00 0.00 H ATOM 381 HH22 ARG A 81 51.747 -14.985 65.702 1.00 0.00 H ATOM 382 HH21 ARG A 81 51.722 -13.257 66.211 1.00 0.00 H ATOM 383 H ARG A 81 52.399 -9.629 61.014 1.00 0.00 H ATOM 384 N ASP A 82 54.102 -13.230 59.734 1.00 10.66 N ATOM 385 CA ASP A 82 53.655 -14.523 59.225 1.00 9.41 C ATOM 386 C ASP A 82 54.549 -15.558 59.883 1.00 10.89 C ATOM 387 O ASP A 82 55.648 -15.828 59.397 1.00 12.75 O ATOM 388 CB ASP A 82 53.736 -14.590 57.676 1.00 10.38 C ATOM 389 CG ASP A 82 53.387 -15.970 57.130 1.00 14.22 C ATOM 390 OD1 ASP A 82 52.425 -16.586 57.632 1.00 11.68 O ATOM 391 OD2 ASP A 82 54.061 -16.419 56.178 1.00 12.82 O ATOM 392 H ASP A 82 55.073 -12.926 59.520 1.00 0.00 H ATOM 393 N GLY A 83 54.090 -16.109 61.002 1.00 9.50 N ATOM 394 CA GLY A 83 54.923 -17.052 61.739 1.00 11.96 C ATOM 395 C GLY A 83 56.242 -16.412 62.156 1.00 11.13 C ATOM 396 O GLY A 83 56.266 -15.443 62.917 1.00 11.06 O ATOM 397 H GLY A 83 53.140 -15.868 61.351 1.00 0.00 H ATOM 398 N GLY A 84 57.360 -16.942 61.652 1.00 10.68 N ATOM 399 CA GLY A 84 58.686 -16.477 62.030 1.00 10.45 C ATOM 400 C GLY A 84 59.336 -15.475 61.096 1.00 9.92 C ATOM 401 O GLY A 84 60.563 -15.353 61.047 1.00 11.68 O ATOM 402 H GLY A 84 57.279 -17.717 60.963 1.00 0.00 H ATOM 403 N ARG A 85 58.521 -14.747 60.348 1.00 8.81 N ATOM 404 CA ARG A 85 59.029 -13.748 59.416 1.00 8.84 C ATOM 405 C ARG A 85 58.006 -12.622 59.302 1.00 8.85 C ATOM 406 O ARG A 85 56.844 -12.762 59.701 1.00 10.38 O ATOM 407 CB ARG A 85 59.327 -14.373 58.046 1.00 12.65 C ATOM 408 CG ARG A 85 58.080 -14.558 57.195 1.00 9.34 C ATOM 409 CD ARG A 85 58.114 -15.809 56.289 1.00 13.28 C ATOM 410 NE ARG A 85 56.831 -15.909 55.608 1.00 10.57 N ATOM 411 CZ ARG A 85 56.652 -15.777 54.296 1.00 9.86 C ATOM 412 NH1 ARG A 85 57.692 -15.598 53.489 1.00 10.51 N ATOM 413 NH2 ARG A 85 55.424 -15.835 53.798 1.00 8.05 N ATOM 414 HE ARG A 85 55.991 -16.098 56.191 1.00 0.00 H ATOM 415 HH12 ARG A 85 57.544 -15.496 52.465 1.00 0.00 H ATOM 416 HH11 ARG A 85 58.654 -15.560 53.882 1.00 0.00 H ATOM 417 HH22 ARG A 85 55.273 -15.733 52.774 1.00 0.00 H ATOM 418 HH21 ARG A 85 54.612 -15.982 54.431 1.00 0.00 H ATOM 419 H ARG A 85 57.494 -14.891 60.427 1.00 0.00 H ATOM 420 N VAL A 86 58.441 -11.503 58.720 1.00 8.21 N ATOM 421 CA VAL A 86 57.602 -10.326 58.535 1.00 9.99 C ATOM 422 C VAL A 86 57.502 -10.010 57.047 1.00 8.65 C ATOM 423 O VAL A 86 58.462 -10.210 56.299 1.00 9.02 O ATOM 424 CB VAL A 86 58.172 -9.122 59.311 1.00 9.28 C ATOM 425 CG1 VAL A 86 57.335 -7.860 59.047 1.00 9.88 C ATOM 426 CG2 VAL A 86 58.237 -9.451 60.807 1.00 9.10 C ATOM 427 H VAL A 86 59.424 -11.469 58.383 1.00 0.00 H ATOM 428 N LEU A 87 56.333 -9.537 56.626 1.00 7.93 N ATOM 429 CA LEU A 87 56.073 -9.086 55.259 1.00 6.16 C ATOM 430 C LEU A 87 55.641 -7.631 55.284 1.00 8.94 C ATOM 431 O LEU A 87 54.912 -7.214 56.188 1.00 7.29 O ATOM 432 CB LEU A 87 54.977 -9.930 54.601 1.00 8.86 C ATOM 433 CG LEU A 87 55.030 -11.417 54.963 1.00 9.64 C ATOM 434 CD1 LEU A 87 53.744 -12.128 54.555 1.00 13.24 C ATOM 435 CD2 LEU A 87 56.254 -12.047 54.336 1.00 10.87 C ATOM 436 H LEU A 87 55.554 -9.484 57.312 1.00 0.00 H ATOM 437 N VAL A 88 56.081 -6.852 54.294 1.00 5.66 N ATOM 438 CA VAL A 88 55.758 -5.427 54.244 1.00 7.15 C ATOM 439 C VAL A 88 54.975 -5.118 52.972 1.00 8.06 C ATOM 440 O VAL A 88 55.288 -5.637 51.894 1.00 5.85 O ATOM 441 CB VAL A 88 57.031 -4.566 54.338 1.00 7.29 C ATOM 442 CG1 VAL A 88 56.707 -3.089 54.147 1.00 6.22 C ATOM 443 CG2 VAL A 88 57.684 -4.805 55.693 1.00 9.37 C ATOM 444 H VAL A 88 56.666 -7.268 53.542 1.00 0.00 H ATOM 445 N VAL A 89 53.958 -4.268 53.102 1.00 6.35 N ATOM 446 CA VAL A 89 53.222 -3.733 51.959 1.00 4.36 C ATOM 447 C VAL A 89 53.487 -2.235 51.902 1.00 7.22 C ATOM 448 O VAL A 89 53.111 -1.505 52.828 1.00 7.55 O ATOM 449 CB VAL A 89 51.712 -4.024 52.048 1.00 9.05 C ATOM 450 CG1 VAL A 89 50.991 -3.480 50.822 1.00 10.78 C ATOM 451 CG2 VAL A 89 51.451 -5.537 52.181 1.00 9.65 C ATOM 452 H VAL A 89 53.676 -3.972 54.058 1.00 0.00 H ATOM 453 N ASP A 90 54.144 -1.794 50.818 1.00 5.82 N ATOM 454 CA ASP A 90 54.467 -0.395 50.520 1.00 6.69 C ATOM 455 C ASP A 90 55.617 0.162 51.348 1.00 6.82 C ATOM 456 O ASP A 90 55.765 -0.168 52.530 1.00 5.61 O ATOM 457 CB ASP A 90 53.229 0.495 50.686 1.00 6.12 C ATOM 458 CG ASP A 90 52.227 0.301 49.560 1.00 9.69 C ATOM 459 OD1 ASP A 90 52.636 -0.200 48.496 1.00 9.98 O ATOM 460 OD2 ASP A 90 51.049 0.649 49.738 1.00 10.27 O ATOM 461 H ASP A 90 54.452 -2.508 50.128 1.00 0.00 H ATOM 462 N THR A 91 56.452 0.996 50.724 1.00 5.01 N ATOM 463 CA THR A 91 57.436 1.757 51.479 1.00 6.88 C ATOM 464 C THR A 91 56.772 2.973 52.126 1.00 6.15 C ATOM 465 O THR A 91 55.564 3.200 52.004 1.00 6.97 O ATOM 466 CB THR A 91 58.604 2.189 50.585 1.00 8.10 C ATOM 467 OG1 THR A 91 58.212 3.276 49.735 1.00 7.79 O ATOM 468 CG2 THR A 91 59.082 1.037 49.710 1.00 5.72 C ATOM 469 HG1 THR A 91 57.932 4.045 50.292 1.00 0.00 H ATOM 470 H THR A 91 56.399 1.103 49.691 1.00 0.00 H ATOM 471 N ALA A 92 57.582 3.753 52.845 1.00 6.95 N ATOM 472 CA ALA A 92 57.214 5.106 53.227 1.00 8.07 C ATOM 473 C ALA A 92 57.585 6.055 52.085 1.00 7.80 C ATOM 474 O ALA A 92 57.996 5.628 51.000 1.00 9.15 O ATOM 475 CB ALA A 92 57.879 5.480 54.549 1.00 9.05 C ATOM 476 H ALA A 92 58.507 3.380 53.142 1.00 0.00 H ATOM 477 N TRP A 93 57.438 7.362 52.313 1.00 7.54 N ATOM 478 CA TRP A 93 57.736 8.320 51.257 1.00 6.31 C ATOM 479 C TRP A 93 59.211 8.327 50.895 1.00 10.21 C ATOM 480 O TRP A 93 59.548 8.620 49.738 1.00 9.10 O ATOM 481 CB TRP A 93 57.343 9.748 51.653 1.00 8.65 C ATOM 482 CG TRP A 93 55.893 9.998 51.962 1.00 6.29 C ATOM 483 CD1 TRP A 93 55.285 9.859 53.171 1.00 8.12 C ATOM 484 CD2 TRP A 93 54.889 10.482 51.060 1.00 6.97 C ATOM 485 NE1 TRP A 93 53.965 10.211 53.081 1.00 8.33 N ATOM 486 CE2 TRP A 93 53.693 10.596 51.794 1.00 9.12 C ATOM 487 CE3 TRP A 93 54.884 10.830 49.706 1.00 9.34 C ATOM 488 CZ2 TRP A 93 52.504 11.044 51.225 1.00 10.43 C ATOM 489 CZ3 TRP A 93 53.691 11.265 49.132 1.00 8.95 C ATOM 490 CH2 TRP A 93 52.521 11.375 49.895 1.00 10.06 C ATOM 491 HE1 TRP A 93 53.279 10.190 53.863 1.00 0.00 H ATOM 492 H TRP A 93 57.111 7.695 53.242 1.00 0.00 H ATOM 493 N THR A 94 60.095 8.087 51.874 1.00 8.05 N ATOM 494 CA THR A 94 61.538 8.252 51.710 1.00 10.20 C ATOM 495 C THR A 94 62.301 7.041 52.239 1.00 9.24 C ATOM 496 O THR A 94 61.789 6.215 53.011 1.00 10.20 O ATOM 497 CB THR A 94 62.072 9.525 52.422 1.00 8.56 C ATOM 498 OG1 THR A 94 62.045 9.333 53.839 1.00 10.24 O ATOM 499 CG2 THR A 94 61.225 10.729 52.087 1.00 11.19 C ATOM 500 HG1 THR A 94 62.386 10.147 54.288 1.00 0.00 H ATOM 501 H THR A 94 59.736 7.767 52.796 1.00 0.00 H ATOM 502 N ASP A 95 63.563 6.958 51.813 1.00 10.51 N ATOM 503 CA ASP A 95 64.460 5.929 52.329 1.00 10.50 C ATOM 504 C ASP A 95 64.601 6.021 53.842 1.00 11.15 C ATOM 505 O ASP A 95 64.551 4.997 54.538 1.00 9.91 O ATOM 506 CB ASP A 95 65.835 6.042 51.655 1.00 12.21 C ATOM 507 CG ASP A 95 65.791 5.679 50.177 1.00 13.03 C ATOM 508 OD1 ASP A 95 64.981 4.811 49.807 1.00 11.13 O ATOM 509 OD2 ASP A 95 66.583 6.239 49.391 1.00 13.69 O ATOM 510 H ASP A 95 63.912 7.635 51.105 1.00 0.00 H ATOM 511 N ASP A 96 64.765 7.238 54.369 1.00 9.29 N ATOM 512 CA ASP A 96 64.994 7.411 55.799 1.00 12.87 C ATOM 513 C ASP A 96 63.808 6.899 56.606 1.00 10.59 C ATOM 514 O ASP A 96 63.978 6.187 57.604 1.00 11.03 O ATOM 515 CB ASP A 96 65.249 8.891 56.108 1.00 13.46 C ATOM 516 CG ASP A 96 66.686 9.313 55.846 1.00 20.87 C ATOM 517 OD1 ASP A 96 67.531 8.445 55.535 1.00 24.42 O ATOM 518 OD2 ASP A 96 66.968 10.528 55.952 1.00 25.26 O ATOM 519 H ASP A 96 64.729 8.074 53.751 1.00 0.00 H ATOM 520 N GLN A 97 62.598 7.278 56.195 1.00 9.39 N ATOM 521 CA GLN A 97 61.387 6.792 56.851 1.00 10.64 C ATOM 522 C GLN A 97 61.270 5.277 56.746 1.00 9.27 C ATOM 523 O GLN A 97 60.908 4.604 57.721 1.00 8.63 O ATOM 524 CB GLN A 97 60.164 7.454 56.228 1.00 10.07 C ATOM 525 CG GLN A 97 60.091 8.957 56.405 1.00 7.90 C ATOM 526 CD GLN A 97 58.974 9.579 55.592 1.00 12.32 C ATOM 527 OE1 GLN A 97 58.506 8.998 54.605 1.00 8.70 O ATOM 528 NE2 GLN A 97 58.540 10.778 55.996 1.00 9.10 N ATOM 529 HE22 GLN A 97 58.963 11.229 56.832 1.00 0.00 H ATOM 530 HE21 GLN A 97 57.780 11.259 55.474 1.00 0.00 H ATOM 531 H GLN A 97 62.515 7.933 55.391 1.00 0.00 H ATOM 532 N THR A 98 61.547 4.726 55.562 1.00 7.97 N ATOM 533 CA THR A 98 61.420 3.282 55.364 1.00 9.24 C ATOM 534 C THR A 98 62.416 2.519 56.237 1.00 8.59 C ATOM 535 O THR A 98 62.076 1.488 56.839 1.00 9.35 O ATOM 536 CB THR A 98 61.599 2.959 53.875 1.00 10.71 C ATOM 537 OG1 THR A 98 60.613 3.674 53.119 1.00 8.18 O ATOM 538 CG2 THR A 98 61.452 1.460 53.591 1.00 9.14 C ATOM 539 HG1 THR A 98 60.727 4.646 53.266 1.00 0.00 H ATOM 540 H THR A 98 61.856 5.329 54.773 1.00 0.00 H ATOM 541 N ALA A 99 63.642 3.031 56.352 1.00 10.40 N ATOM 542 CA ALA A 99 64.591 2.445 57.293 1.00 9.57 C ATOM 543 C ALA A 99 64.053 2.492 58.715 1.00 9.89 C ATOM 544 O ALA A 99 64.287 1.571 59.502 1.00 9.83 O ATOM 545 CB ALA A 99 65.941 3.160 57.206 1.00 11.56 C ATOM 546 H ALA A 99 63.922 3.847 55.771 1.00 0.00 H ATOM 547 N GLN A 100 63.293 3.532 59.053 1.00 11.84 N ATOM 548 CA GLN A 100 62.688 3.572 60.378 1.00 11.95 C ATOM 549 C GLN A 100 61.611 2.502 60.540 1.00 10.40 C ATOM 550 O GLN A 100 61.464 1.944 61.630 1.00 10.15 O ATOM 551 CB GLN A 100 62.132 4.963 60.669 1.00 15.03 C ATOM 552 CG GLN A 100 63.206 5.914 61.171 1.00 16.73 C ATOM 553 CD GLN A 100 63.560 5.680 62.644 1.00 18.17 C ATOM 554 OE1 GLN A 100 64.151 4.662 63.005 1.00 16.98 O ATOM 555 NE2 GLN A 100 63.210 6.640 63.494 1.00 26.48 N ATOM 556 HE22 GLN A 100 62.712 7.485 63.148 1.00 0.00 H ATOM 557 HE21 GLN A 100 63.435 6.547 64.505 1.00 0.00 H ATOM 558 H GLN A 100 63.133 4.307 58.379 1.00 0.00 H ATOM 559 N ILE A 101 60.851 2.197 59.475 1.00 7.87 N ATOM 560 CA ILE A 101 59.916 1.069 59.534 1.00 9.03 C ATOM 561 C ILE A 101 60.667 -0.199 59.917 1.00 7.14 C ATOM 562 O ILE A 101 60.233 -0.979 60.777 1.00 8.06 O ATOM 563 CB ILE A 101 59.186 0.878 58.188 1.00 7.13 C ATOM 564 CG1 ILE A 101 58.226 2.034 57.889 1.00 7.52 C ATOM 565 CG2 ILE A 101 58.405 -0.452 58.210 1.00 8.10 C ATOM 566 CD1 ILE A 101 57.665 2.007 56.471 1.00 8.52 C ATOM 567 H ILE A 101 60.926 2.763 58.606 1.00 0.00 H ATOM 568 N LEU A 102 61.822 -0.415 59.287 1.00 8.28 N ATOM 569 CA LEU A 102 62.594 -1.618 59.568 1.00 6.96 C ATOM 570 C LEU A 102 63.141 -1.614 60.991 1.00 10.22 C ATOM 571 O LEU A 102 63.214 -2.669 61.632 1.00 10.21 O ATOM 572 CB LEU A 102 63.709 -1.752 58.535 1.00 6.91 C ATOM 573 CG LEU A 102 63.218 -1.770 57.083 1.00 7.63 C ATOM 574 CD1 LEU A 102 64.423 -1.923 56.154 1.00 8.72 C ATOM 575 CD2 LEU A 102 62.218 -2.887 56.829 1.00 7.02 C ATOM 576 H LEU A 102 62.172 0.277 58.594 1.00 0.00 H ATOM 577 N ASN A 103 63.444 -0.479 61.482 1.00 11.62 N ATOM 578 CA ASN A 103 63.957 -0.355 62.846 1.00 11.20 C ATOM 579 C ASN A 103 62.880 -0.655 63.884 1.00 14.40 C ATOM 580 O ASN A 103 63.157 -1.289 64.915 1.00 12.34 O ATOM 581 CB ASN A 103 64.521 1.053 63.067 1.00 12.96 C ATOM 582 CG ASN A 103 65.819 1.297 62.314 1.00 21.71 C ATOM 583 OD1 ASN A 103 66.535 0.363 61.970 1.00 23.08 O ATOM 584 ND2 ASN A 103 66.124 2.570 62.053 1.00 24.90 N ATOM 585 HD22 ASN A 103 65.487 3.331 62.364 1.00 0.00 H ATOM 586 HD21 ASN A 103 66.998 2.800 61.539 1.00 0.00 H ATOM 587 H ASN A 103 63.324 0.376 60.902 1.00 0.00 H ATOM 588 N TRP A 104 61.664 -0.147 63.609 1.00 9.79 N ATOM 589 CA TRP A 104 60.520 -0.499 64.443 1.00 10.08 C ATOM 590 C TRP A 104 60.259 -2.000 64.412 1.00 9.73 C ATOM 591 O TRP A 104 60.021 -2.611 65.456 1.00 9.74 O ATOM 592 CB TRP A 104 59.273 0.264 64.001 1.00 10.82 C ATOM 593 CG TRP A 104 58.077 -0.016 64.883 1.00 10.26 C ATOM 594 CD1 TRP A 104 57.731 0.646 66.034 1.00 13.26 C ATOM 595 CD2 TRP A 104 57.063 -1.013 64.678 1.00 13.32 C ATOM 596 NE1 TRP A 104 56.573 0.110 66.562 1.00 14.48 N ATOM 597 CE2 TRP A 104 56.143 -0.905 65.747 1.00 13.47 C ATOM 598 CE3 TRP A 104 56.855 -1.999 63.708 1.00 11.39 C ATOM 599 CZ2 TRP A 104 55.031 -1.736 65.864 1.00 13.30 C ATOM 600 CZ3 TRP A 104 55.739 -2.815 63.821 1.00 12.26 C ATOM 601 CH2 TRP A 104 54.843 -2.678 64.893 1.00 12.79 C ATOM 602 HE1 TRP A 104 56.104 0.425 67.435 1.00 0.00 H ATOM 603 H TRP A 104 61.540 0.497 62.802 1.00 0.00 H ATOM 604 N ILE A 105 60.287 -2.606 63.220 1.00 9.22 N ATOM 605 CA ILE A 105 60.090 -4.056 63.112 1.00 8.04 C ATOM 606 C ILE A 105 61.148 -4.789 63.928 1.00 9.84 C ATOM 607 O ILE A 105 60.850 -5.731 64.672 1.00 10.60 O ATOM 608 CB ILE A 105 60.122 -4.493 61.632 1.00 8.28 C ATOM 609 CG1 ILE A 105 58.895 -3.967 60.884 1.00 9.89 C ATOM 610 CG2 ILE A 105 60.226 -6.025 61.519 1.00 9.65 C ATOM 611 CD1 ILE A 105 58.946 -4.130 59.383 1.00 11.09 C ATOM 612 H ILE A 105 60.450 -2.044 62.361 1.00 0.00 H ATOM 613 N LYS A 106 62.407 -4.366 63.796 1.00 9.68 N ATOM 614 CA LYS A 106 63.488 -4.975 64.569 1.00 13.07 C ATOM 615 C LYS A 106 63.238 -4.857 66.064 1.00 12.76 C ATOM 616 O LYS A 106 63.482 -5.803 66.819 1.00 14.78 O ATOM 617 CB LYS A 106 64.816 -4.312 64.212 1.00 12.61 C ATOM 618 CG LYS A 106 65.943 -4.701 65.137 1.00 19.91 C ATOM 619 CD LYS A 106 66.310 -6.152 64.954 1.00 26.23 C ATOM 620 CE LYS A 106 67.298 -6.327 63.805 1.00 29.58 C ATOM 621 NZ LYS A 106 67.859 -7.724 63.720 1.00 28.94 N ATOM 622 HZ1 LYS A 106 68.358 -7.950 64.604 1.00 0.00 H ATOM 623 HZ2 LYS A 106 67.082 -8.400 63.576 1.00 0.00 H ATOM 624 HZ3 LYS A 106 68.523 -7.782 62.922 1.00 0.00 H ATOM 625 H LYS A 106 62.622 -3.593 63.134 1.00 0.00 H ATOM 626 N GLN A 107 62.745 -3.697 66.508 1.00 13.09 N ATOM 627 CA GLN A 107 62.568 -3.469 67.936 1.00 16.32 C ATOM 628 C GLN A 107 61.368 -4.231 68.487 1.00 16.82 C ATOM 629 O GLN A 107 61.447 -4.837 69.566 1.00 14.89 O ATOM 630 CB GLN A 107 62.416 -1.976 68.195 1.00 16.71 C ATOM 631 CG GLN A 107 62.205 -1.616 69.635 1.00 20.25 C ATOM 632 CD GLN A 107 62.211 -0.119 69.845 1.00 20.90 C ATOM 633 OE1 GLN A 107 63.258 0.525 69.757 1.00 26.17 O ATOM 634 NE2 GLN A 107 61.037 0.445 70.115 1.00 23.06 N ATOM 635 HE22 GLN A 107 60.181 -0.142 70.179 1.00 0.00 H ATOM 636 HE21 GLN A 107 60.975 1.473 70.262 1.00 0.00 H ATOM 637 H GLN A 107 62.486 -2.952 65.830 1.00 0.00 H ATOM 638 N GLU A 108 60.249 -4.209 67.770 1.00 11.74 N ATOM 639 CA GLU A 108 59.016 -4.758 68.311 1.00 12.87 C ATOM 640 C GLU A 108 58.765 -6.211 67.935 1.00 14.74 C ATOM 641 O GLU A 108 58.080 -6.922 68.677 1.00 13.31 O ATOM 642 CB GLU A 108 57.825 -3.920 67.863 1.00 15.83 C ATOM 643 CG GLU A 108 57.486 -2.803 68.836 1.00 22.64 C ATOM 644 CD GLU A 108 57.095 -3.320 70.216 1.00 19.75 C ATOM 645 OE1 GLU A 108 56.825 -4.541 70.384 1.00 18.87 O ATOM 646 OE2 GLU A 108 57.050 -2.503 71.145 1.00 22.27 O ATOM 647 H GLU A 108 60.255 -3.796 66.815 1.00 0.00 H ATOM 648 N ILE A 109 59.259 -6.672 66.794 1.00 11.13 N ATOM 649 CA ILE A 109 58.987 -8.025 66.326 1.00 12.34 C ATOM 650 C ILE A 109 60.254 -8.874 66.298 1.00 9.64 C ATOM 651 O ILE A 109 60.233 -10.034 66.724 1.00 13.41 O ATOM 652 CB ILE A 109 58.294 -8.010 64.945 1.00 8.98 C ATOM 653 CG1 ILE A 109 57.038 -7.132 65.001 1.00 8.42 C ATOM 654 CG2 ILE A 109 57.954 -9.437 64.494 1.00 8.58 C ATOM 655 CD1 ILE A 109 56.328 -6.939 63.666 1.00 10.88 C ATOM 656 H ILE A 109 59.859 -6.049 66.216 1.00 0.00 H ATOM 657 N ASN A 110 61.366 -8.297 65.838 1.00 10.44 N ATOM 658 CA ASN A 110 62.682 -8.944 65.842 1.00 13.55 C ATOM 659 C ASN A 110 62.653 -10.281 65.100 1.00 13.53 C ATOM 660 O ASN A 110 63.079 -11.313 65.617 1.00 14.04 O ATOM 661 CB ASN A 110 63.221 -9.122 67.267 1.00 15.27 C ATOM 662 CG ASN A 110 64.700 -9.477 67.281 1.00 17.72 C ATOM 663 OD1 ASN A 110 65.453 -9.072 66.394 1.00 18.35 O ATOM 664 ND2 ASN A 110 65.114 -10.269 68.271 1.00 22.44 N ATOM 665 HD22 ASN A 110 64.442 -10.586 68.999 1.00 0.00 H ATOM 666 HD21 ASN A 110 66.109 -10.569 68.315 1.00 0.00 H ATOM 667 H ASN A 110 61.295 -7.333 65.455 1.00 0.00 H ATOM 668 N LEU A 111 62.120 -10.250 63.884 1.00 10.55 N ATOM 669 CA LEU A 111 62.103 -11.375 62.960 1.00 13.35 C ATOM 670 C LEU A 111 62.466 -10.837 61.588 1.00 12.60 C ATOM 671 O LEU A 111 62.247 -9.650 61.314 1.00 11.90 O ATOM 672 CB LEU A 111 60.728 -12.055 62.899 1.00 9.75 C ATOM 673 CG LEU A 111 60.251 -12.753 64.168 1.00 9.43 C ATOM 674 CD1 LEU A 111 58.785 -13.113 64.043 1.00 9.15 C ATOM 675 CD2 LEU A 111 61.112 -13.970 64.464 1.00 10.09 C ATOM 676 H LEU A 111 61.684 -9.360 63.570 1.00 0.00 H ATOM 677 N PRO A 112 63.028 -11.668 60.709 1.00 13.18 N ATOM 678 CA PRO A 112 63.448 -11.158 59.402 1.00 13.36 C ATOM 679 C PRO A 112 62.266 -10.692 58.573 1.00 12.45 C ATOM 680 O PRO A 112 61.152 -11.226 58.656 1.00 10.38 O ATOM 681 CB PRO A 112 64.142 -12.358 58.747 1.00 13.92 C ATOM 682 CG PRO A 112 63.636 -13.535 59.469 1.00 21.72 C ATOM 683 CD PRO A 112 63.365 -13.091 60.875 1.00 15.12 C ATOM 684 N VAL A 113 62.521 -9.665 57.771 1.00 10.08 N ATOM 685 CA VAL A 113 61.548 -9.200 56.799 1.00 7.46 C ATOM 686 C VAL A 113 61.821 -9.967 55.512 1.00 9.19 C ATOM 687 O VAL A 113 62.816 -9.718 54.823 1.00 10.82 O ATOM 688 CB VAL A 113 61.622 -7.683 56.593 1.00 7.55 C ATOM 689 CG1 VAL A 113 60.591 -7.259 55.532 1.00 9.02 C ATOM 690 CG2 VAL A 113 61.377 -6.961 57.924 1.00 9.07 C ATOM 691 H VAL A 113 63.440 -9.182 57.841 1.00 0.00 H ATOM 692 N ALA A 114 60.937 -10.908 55.196 1.00 8.42 N ATOM 693 CA ALA A 114 61.198 -11.836 54.110 1.00 9.01 C ATOM 694 C ALA A 114 60.982 -11.195 52.744 1.00 10.60 C ATOM 695 O ALA A 114 61.673 -11.548 51.777 1.00 11.25 O ATOM 696 CB ALA A 114 60.307 -13.073 54.259 1.00 12.44 C ATOM 697 H ALA A 114 60.049 -10.980 55.732 1.00 0.00 H ATOM 698 N LEU A 115 60.050 -10.257 52.646 1.00 7.36 N ATOM 699 CA LEU A 115 59.771 -9.618 51.366 1.00 8.36 C ATOM 700 C LEU A 115 58.933 -8.372 51.593 1.00 8.64 C ATOM 701 O LEU A 115 58.319 -8.191 52.650 1.00 7.44 O ATOM 702 CB LEU A 115 59.042 -10.561 50.409 1.00 7.84 C ATOM 703 CG LEU A 115 57.718 -11.129 50.920 1.00 9.31 C ATOM 704 CD1 LEU A 115 56.539 -10.291 50.469 1.00 12.17 C ATOM 705 CD2 LEU A 115 57.560 -12.567 50.458 1.00 11.19 C ATOM 706 H LEU A 115 59.513 -9.974 53.491 1.00 0.00 H ATOM 707 N ALA A 116 58.906 -7.524 50.566 1.00 6.24 N ATOM 708 CA ALA A 116 57.980 -6.411 50.492 1.00 8.22 C ATOM 709 C ALA A 116 57.292 -6.420 49.135 1.00 7.61 C ATOM 710 O ALA A 116 57.909 -6.738 48.118 1.00 8.35 O ATOM 711 CB ALA A 116 58.698 -5.069 50.705 1.00 6.32 C ATOM 712 H ALA A 116 59.577 -7.666 49.785 1.00 0.00 H ATOM 713 N VAL A 117 56.007 -6.097 49.122 1.00 7.12 N ATOM 714 CA VAL A 117 55.280 -5.842 47.886 1.00 7.67 C ATOM 715 C VAL A 117 54.825 -4.394 47.918 1.00 8.75 C ATOM 716 O VAL A 117 54.378 -3.902 48.961 1.00 7.45 O ATOM 717 CB VAL A 117 54.095 -6.819 47.704 1.00 10.60 C ATOM 718 CG1 VAL A 117 53.164 -6.785 48.915 1.00 10.48 C ATOM 719 CG2 VAL A 117 53.345 -6.519 46.401 1.00 11.12 C ATOM 720 H VAL A 117 55.499 -6.023 50.027 1.00 0.00 H ATOM 721 N VAL A 118 54.986 -3.696 46.795 1.00 5.27 N ATOM 722 CA VAL A 118 54.659 -2.278 46.680 1.00 7.46 C ATOM 723 C VAL A 118 53.588 -2.123 45.605 1.00 9.19 C ATOM 724 O VAL A 118 53.612 -2.836 44.590 1.00 9.29 O ATOM 725 CB VAL A 118 55.921 -1.434 46.379 1.00 9.48 C ATOM 726 CG1 VAL A 118 56.890 -1.510 47.571 1.00 9.42 C ATOM 727 CG2 VAL A 118 56.624 -1.924 45.131 1.00 8.37 C ATOM 728 H VAL A 118 55.363 -4.186 45.959 1.00 0.00 H ATOM 729 N THR A 119 52.634 -1.199 45.826 1.00 5.00 N ATOM 730 CA THR A 119 51.340 -1.320 45.155 1.00 5.89 C ATOM 731 C THR A 119 51.127 -0.355 43.989 1.00 9.92 C ATOM 732 O THR A 119 50.097 -0.468 43.323 1.00 10.03 O ATOM 733 CB THR A 119 50.181 -1.190 46.164 1.00 10.13 C ATOM 734 OG1 THR A 119 50.204 0.083 46.820 1.00 8.32 O ATOM 735 CG2 THR A 119 50.264 -2.308 47.221 1.00 7.13 C ATOM 736 HG1 THR A 119 51.060 0.187 47.307 1.00 0.00 H ATOM 737 H THR A 119 52.816 -0.403 46.470 1.00 0.00 H ATOM 738 N HIS A 120 52.052 0.569 43.721 1.00 7.24 N ATOM 739 CA HIS A 120 52.179 1.214 42.400 1.00 10.91 C ATOM 740 C HIS A 120 53.388 2.149 42.428 1.00 11.39 C ATOM 741 O HIS A 120 53.968 2.405 43.484 1.00 9.55 O ATOM 742 CB HIS A 120 50.910 1.962 41.927 1.00 10.54 C ATOM 743 CG HIS A 120 50.547 3.165 42.741 1.00 12.65 C ATOM 744 ND1 HIS A 120 49.807 3.085 43.901 1.00 11.56 N ATOM 745 CD2 HIS A 120 50.778 4.481 42.531 1.00 11.14 C ATOM 746 CE1 HIS A 120 49.620 4.301 44.383 1.00 9.09 C ATOM 747 NE2 HIS A 120 50.203 5.166 43.575 1.00 9.24 N ATOM 748 H HIS A 120 52.712 0.846 44.476 1.00 0.00 H ATOM 749 N ALA A 121 53.765 2.656 41.246 1.00 10.04 N ATOM 750 CA ALA A 121 55.003 3.429 41.081 1.00 10.97 C ATOM 751 C ALA A 121 54.752 4.922 41.306 1.00 11.62 C ATOM 752 O ALA A 121 54.810 5.746 40.387 1.00 13.09 O ATOM 753 CB ALA A 121 55.611 3.172 39.703 1.00 9.64 C ATOM 754 H ALA A 121 53.159 2.496 40.416 1.00 0.00 H ATOM 755 N HIS A 122 54.478 5.262 42.567 1.00 11.34 N ATOM 756 CA HIS A 122 54.415 6.639 43.038 1.00 10.91 C ATOM 757 C HIS A 122 55.230 6.750 44.325 1.00 10.08 C ATOM 758 O HIS A 122 55.500 5.746 44.992 1.00 9.57 O ATOM 759 CB HIS A 122 52.965 7.099 43.287 1.00 12.32 C ATOM 760 CG HIS A 122 52.256 7.575 42.058 1.00 11.59 C ATOM 761 ND1 HIS A 122 50.893 7.785 42.023 1.00 17.54 N ATOM 762 CD2 HIS A 122 52.718 7.882 40.822 1.00 16.97 C ATOM 763 CE1 HIS A 122 50.549 8.209 40.818 1.00 14.88 C ATOM 764 NE2 HIS A 122 51.638 8.282 40.072 1.00 17.98 N ATOM 765 H HIS A 122 54.299 4.501 43.252 1.00 0.00 H ATOM 766 N GLN A 123 55.595 7.994 44.692 1.00 8.99 N ATOM 767 CA GLN A 123 56.548 8.203 45.787 1.00 9.99 C ATOM 768 C GLN A 123 56.029 7.652 47.111 1.00 9.10 C ATOM 769 O GLN A 123 56.811 7.139 47.917 1.00 7.33 O ATOM 770 CB GLN A 123 56.886 9.696 45.941 1.00 7.81 C ATOM 771 CG GLN A 123 57.987 9.987 46.966 1.00 11.09 C ATOM 772 CD GLN A 123 58.214 11.494 47.198 1.00 14.47 C ATOM 773 OE1 GLN A 123 57.407 12.325 46.785 1.00 15.59 O ATOM 774 NE2 GLN A 123 59.311 11.832 47.859 1.00 17.27 N ATOM 775 HE22 GLN A 123 59.966 11.095 48.190 1.00 0.00 H ATOM 776 HE21 GLN A 123 59.517 12.834 48.047 1.00 0.00 H ATOM 777 H GLN A 123 55.197 8.815 44.193 1.00 0.00 H ATOM 778 N ASP A 124 54.729 7.787 47.380 1.00 7.92 N ATOM 779 CA ASP A 124 54.234 7.328 48.676 1.00 9.12 C ATOM 780 C ASP A 124 54.260 5.810 48.813 1.00 10.03 C ATOM 781 O ASP A 124 54.204 5.308 49.937 1.00 8.13 O ATOM 782 CB ASP A 124 52.815 7.867 48.978 1.00 10.10 C ATOM 783 CG ASP A 124 51.825 7.729 47.814 1.00 11.29 C ATOM 784 OD1 ASP A 124 52.247 7.498 46.667 1.00 16.63 O ATOM 785 OD2 ASP A 124 50.597 7.897 48.050 1.00 15.61 O ATOM 786 H ASP A 124 54.083 8.209 46.683 1.00 0.00 H ATOM 787 N LYS A 125 54.377 5.072 47.712 1.00 9.97 N ATOM 788 CA LYS A 125 54.385 3.612 47.747 1.00 9.17 C ATOM 789 C LYS A 125 55.742 3.003 47.447 1.00 8.67 C ATOM 790 O LYS A 125 56.019 1.879 47.896 1.00 7.66 O ATOM 791 CB LYS A 125 53.370 3.050 46.742 1.00 8.97 C ATOM 792 CG LYS A 125 51.997 3.725 46.765 1.00 10.19 C ATOM 793 CD LYS A 125 51.115 3.218 47.897 1.00 12.46 C ATOM 794 CE LYS A 125 51.262 4.064 49.174 1.00 10.86 C ATOM 795 NZ LYS A 125 50.564 3.401 50.324 1.00 9.02 N ATOM 796 HZ1 LYS A 125 49.554 3.296 50.101 1.00 0.00 H ATOM 797 HZ2 LYS A 125 50.983 2.463 50.488 1.00 0.00 H ATOM 798 HZ3 LYS A 125 50.673 3.985 51.178 1.00 0.00 H ATOM 799 H LYS A 125 54.466 5.552 46.794 1.00 0.00 H ATOM 800 N MET A 126 56.585 3.708 46.687 1.00 8.13 N ATOM 801 CA MET A 126 57.874 3.191 46.259 1.00 9.24 C ATOM 802 C MET A 126 59.027 4.154 46.511 1.00 10.87 C ATOM 803 O MET A 126 60.130 3.918 46.014 1.00 11.41 O ATOM 804 CB MET A 126 57.824 2.819 44.773 1.00 9.28 C ATOM 805 CG MET A 126 57.066 1.552 44.518 1.00 11.98 C ATOM 806 SD MET A 126 57.067 1.064 42.785 1.00 11.69 S ATOM 807 CE MET A 126 58.682 0.368 42.527 1.00 10.90 C ATOM 808 H MET A 126 56.308 4.665 46.390 1.00 0.00 H ATOM 809 N GLY A 127 58.820 5.213 47.295 1.00 8.85 N ATOM 810 CA GLY A 127 59.903 6.157 47.525 1.00 8.97 C ATOM 811 C GLY A 127 61.063 5.608 48.335 1.00 9.42 C ATOM 812 O GLY A 127 62.145 6.200 48.322 1.00 13.80 O ATOM 813 H GLY A 127 57.891 5.363 47.739 1.00 0.00 H ATOM 814 N GLY A 128 60.861 4.499 49.055 1.00 7.73 N ATOM 815 CA GLY A 128 61.894 3.988 49.938 1.00 9.60 C ATOM 816 C GLY A 128 62.523 2.677 49.510 1.00 7.61 C ATOM 817 O GLY A 128 63.062 1.958 50.357 1.00 7.99 O ATOM 818 H GLY A 128 59.953 3.997 48.981 1.00 0.00 H ATOM 819 N MET A 129 62.478 2.357 48.207 1.00 8.90 N ATOM 820 CA MET A 129 62.957 1.057 47.742 1.00 7.60 C ATOM 821 C MET A 129 64.419 0.823 48.109 1.00 7.87 C ATOM 822 O MET A 129 64.786 -0.283 48.514 1.00 9.17 O ATOM 823 CB MET A 129 62.779 0.920 46.231 1.00 10.99 C ATOM 824 CG MET A 129 61.340 1.014 45.730 1.00 8.91 C ATOM 825 SD MET A 129 60.330 -0.331 46.371 1.00 12.20 S ATOM 826 CE MET A 129 61.055 -1.726 45.527 1.00 9.21 C ATOM 827 H MET A 129 62.098 3.041 47.522 1.00 0.00 H ATOM 828 N ASP A 130 65.268 1.847 47.976 1.00 8.12 N ATOM 829 CA ASP A 130 66.685 1.663 48.292 1.00 11.73 C ATOM 830 C ASP A 130 66.884 1.204 49.732 1.00 11.38 C ATOM 831 O ASP A 130 67.767 0.386 50.011 1.00 10.68 O ATOM 832 CB ASP A 130 67.454 2.963 48.048 1.00 12.25 C ATOM 833 CG ASP A 130 68.109 3.009 46.694 1.00 16.63 C ATOM 834 OD1 ASP A 130 68.056 2.002 45.962 1.00 19.31 O ATOM 835 OD2 ASP A 130 68.678 4.063 46.360 1.00 20.24 O ATOM 836 H ASP A 130 64.922 2.772 47.649 1.00 0.00 H ATOM 837 N ALA A 131 66.079 1.721 50.666 1.00 7.31 N ATOM 838 CA ALA A 131 66.207 1.285 52.054 1.00 11.04 C ATOM 839 C ALA A 131 65.891 -0.201 52.201 1.00 8.40 C ATOM 840 O ALA A 131 66.540 -0.911 52.984 1.00 10.34 O ATOM 841 CB ALA A 131 65.298 2.127 52.955 1.00 8.38 C ATOM 842 H ALA A 131 65.365 2.431 50.405 1.00 0.00 H ATOM 843 N LEU A 132 64.891 -0.696 51.459 1.00 6.67 N ATOM 844 CA LEU A 132 64.595 -2.125 51.508 1.00 10.20 C ATOM 845 C LEU A 132 65.738 -2.946 50.918 1.00 8.47 C ATOM 846 O LEU A 132 66.128 -3.984 51.481 1.00 10.63 O ATOM 847 CB LEU A 132 63.286 -2.425 50.770 1.00 7.68 C ATOM 848 CG LEU A 132 62.010 -1.767 51.326 1.00 6.49 C ATOM 849 CD1 LEU A 132 60.824 -2.156 50.476 1.00 8.79 C ATOM 850 CD2 LEU A 132 61.770 -2.177 52.767 1.00 5.78 C ATOM 851 H LEU A 132 64.329 -0.066 50.852 1.00 0.00 H ATOM 852 N HIS A 133 66.299 -2.496 49.795 1.00 11.31 N ATOM 853 CA HIS A 133 67.352 -3.276 49.155 1.00 9.63 C ATOM 854 C HIS A 133 68.629 -3.249 49.978 1.00 10.10 C ATOM 855 O HIS A 133 69.329 -4.263 50.079 1.00 10.44 O ATOM 856 CB HIS A 133 67.584 -2.761 47.736 1.00 12.89 C ATOM 857 CG HIS A 133 66.390 -2.918 46.850 1.00 13.34 C ATOM 858 ND1 HIS A 133 66.221 -2.206 45.683 1.00 10.97 N ATOM 859 CD2 HIS A 133 65.301 -3.714 46.966 1.00 11.11 C ATOM 860 CE1 HIS A 133 65.076 -2.555 45.121 1.00 10.45 C ATOM 861 NE2 HIS A 133 64.496 -3.465 45.882 1.00 11.13 N ATOM 862 H HIS A 133 65.988 -1.595 49.379 1.00 0.00 H ATOM 863 N ALA A 134 68.942 -2.100 50.588 1.00 12.91 N ATOM 864 CA ALA A 134 70.094 -2.017 51.479 1.00 11.80 C ATOM 865 C ALA A 134 69.965 -2.986 52.636 1.00 11.18 C ATOM 866 O ALA A 134 70.975 -3.512 53.128 1.00 14.61 O ATOM 867 CB ALA A 134 70.248 -0.592 52.008 1.00 10.42 C ATOM 868 H ALA A 134 68.357 -1.256 50.425 1.00 0.00 H ATOM 869 N ALA A 135 68.736 -3.251 53.077 1.00 10.77 N ATOM 870 CA ALA A 135 68.494 -4.209 54.146 1.00 10.04 C ATOM 871 C ALA A 135 68.418 -5.657 53.666 1.00 12.21 C ATOM 872 O ALA A 135 68.176 -6.543 54.490 1.00 14.95 O ATOM 873 CB ALA A 135 67.198 -3.839 54.886 1.00 9.74 C ATOM 874 H ALA A 135 67.927 -2.760 52.646 1.00 0.00 H ATOM 875 N GLY A 136 68.611 -5.930 52.373 1.00 10.24 N ATOM 876 CA GLY A 136 68.571 -7.294 51.884 1.00 12.86 C ATOM 877 C GLY A 136 67.188 -7.894 51.738 1.00 10.87 C ATOM 878 O GLY A 136 67.061 -9.121 51.702 1.00 15.49 O ATOM 879 H GLY A 136 68.793 -5.152 51.707 1.00 0.00 H ATOM 880 N ILE A 137 66.152 -7.068 51.632 1.00 11.04 N ATOM 881 CA ILE A 137 64.773 -7.541 51.554 1.00 9.40 C ATOM 882 C ILE A 137 64.373 -7.702 50.089 1.00 8.95 C ATOM 883 O ILE A 137 64.518 -6.776 49.282 1.00 11.70 O ATOM 884 CB ILE A 137 63.822 -6.577 52.288 1.00 9.40 C ATOM 885 CG1 ILE A 137 64.156 -6.530 53.791 1.00 8.96 C ATOM 886 CG2 ILE A 137 62.387 -7.000 52.094 1.00 7.43 C ATOM 887 CD1 ILE A 137 63.540 -5.369 54.514 1.00 8.98 C ATOM 888 H ILE A 137 66.331 -6.044 51.603 1.00 0.00 H ATOM 889 N ALA A 138 63.855 -8.878 49.742 1.00 9.26 N ATOM 890 CA ALA A 138 63.370 -9.117 48.388 1.00 8.18 C ATOM 891 C ALA A 138 62.100 -8.310 48.115 1.00 7.27 C ATOM 892 O ALA A 138 61.189 -8.283 48.940 1.00 7.79 O ATOM 893 CB ALA A 138 63.103 -10.603 48.196 1.00 10.85 C ATOM 894 H ALA A 138 63.795 -9.639 50.448 1.00 0.00 H ATOM 895 N THR A 139 62.036 -7.643 46.956 1.00 8.06 N ATOM 896 CA THR A 139 60.940 -6.730 46.655 1.00 8.31 C ATOM 897 C THR A 139 60.167 -7.157 45.406 1.00 8.81 C ATOM 898 O THR A 139 60.751 -7.653 44.434 1.00 7.17 O ATOM 899 CB THR A 139 61.455 -5.288 46.483 1.00 9.70 C ATOM 900 OG1 THR A 139 62.500 -5.263 45.505 1.00 8.99 O ATOM 901 CG2 THR A 139 61.977 -4.741 47.835 1.00 10.01 C ATOM 902 HG1 THR A 139 62.828 -4.335 45.398 1.00 0.00 H ATOM 903 H THR A 139 62.789 -7.780 46.251 1.00 0.00 H ATOM 904 N TYR A 140 58.848 -6.939 45.441 1.00 7.22 N ATOM 905 CA TYR A 140 57.923 -7.364 44.399 1.00 8.69 C ATOM 906 C TYR A 140 57.004 -6.209 44.027 1.00 8.78 C ATOM 907 O TYR A 140 56.608 -5.419 44.887 1.00 7.54 O ATOM 908 CB TYR A 140 57.086 -8.575 44.867 1.00 7.28 C ATOM 909 CG TYR A 140 57.935 -9.794 45.145 1.00 11.75 C ATOM 910 CD1 TYR A 140 58.656 -9.906 46.328 1.00 11.23 C ATOM 911 CD2 TYR A 140 58.028 -10.828 44.220 1.00 12.07 C ATOM 912 CE1 TYR A 140 59.460 -10.999 46.586 1.00 11.23 C ATOM 913 CE2 TYR A 140 58.823 -11.931 44.472 1.00 10.90 C ATOM 914 CZ TYR A 140 59.536 -12.014 45.652 1.00 11.21 C ATOM 915 OH TYR A 140 60.328 -13.126 45.876 1.00 14.48 O ATOM 916 HH TYR A 140 61.013 -13.191 45.164 1.00 0.00 H ATOM 917 H TYR A 140 58.459 -6.435 46.263 1.00 0.00 H ATOM 918 N ALA A 141 56.693 -6.089 42.735 1.00 8.82 N ATOM 919 CA ALA A 141 55.717 -5.112 42.278 1.00 7.64 C ATOM 920 C ALA A 141 55.057 -5.646 41.015 1.00 9.72 C ATOM 921 O ALA A 141 55.590 -6.537 40.351 1.00 7.45 O ATOM 922 CB ALA A 141 56.370 -3.753 42.003 1.00 5.50 C ATOM 923 H ALA A 141 57.158 -6.707 42.040 1.00 0.00 H ATOM 924 N ASN A 142 53.877 -5.107 40.705 1.00 8.18 N ATOM 925 CA ASN A 142 53.288 -5.270 39.375 1.00 11.53 C ATOM 926 C ASN A 142 54.356 -5.062 38.312 1.00 10.48 C ATOM 927 O ASN A 142 55.123 -4.100 38.377 1.00 10.74 O ATOM 928 CB ASN A 142 52.156 -4.251 39.184 1.00 10.82 C ATOM 929 CG ASN A 142 51.336 -4.486 37.928 1.00 12.41 C ATOM 930 OD1 ASN A 142 51.681 -5.313 37.057 1.00 13.59 O ATOM 931 ND2 ASN A 142 50.219 -3.770 37.832 1.00 10.62 N ATOM 932 HD22 ASN A 142 49.970 -3.092 38.581 1.00 0.00 H ATOM 933 HD21 ASN A 142 49.595 -3.888 37.008 1.00 0.00 H ATOM 934 H ASN A 142 53.364 -4.559 41.424 1.00 0.00 H ATOM 935 N ALA A 143 54.413 -5.973 37.332 1.00 10.97 N ATOM 936 CA ALA A 143 55.356 -5.775 36.233 1.00 10.14 C ATOM 937 C ALA A 143 55.251 -4.365 35.667 1.00 10.68 C ATOM 938 O ALA A 143 56.271 -3.719 35.412 1.00 9.73 O ATOM 939 CB ALA A 143 55.118 -6.792 35.107 1.00 7.91 C ATOM 940 H ALA A 143 53.795 -6.809 37.353 1.00 0.00 H ATOM 941 N LEU A 144 54.022 -3.870 35.479 1.00 10.97 N ATOM 942 CA LEU A 144 53.836 -2.515 34.964 1.00 11.66 C ATOM 943 C LEU A 144 54.454 -1.478 35.894 1.00 14.40 C ATOM 944 O LEU A 144 54.988 -0.460 35.438 1.00 12.20 O ATOM 945 CB LEU A 144 52.347 -2.231 34.771 1.00 12.32 C ATOM 946 CG LEU A 144 52.023 -0.939 34.008 1.00 13.16 C ATOM 947 CD1 LEU A 144 52.875 -0.875 32.760 1.00 18.30 C ATOM 948 CD2 LEU A 144 50.539 -0.904 33.663 1.00 14.94 C ATOM 949 H LEU A 144 53.191 -4.455 35.701 1.00 0.00 H ATOM 950 N SER A 145 54.387 -1.716 37.209 1.00 13.49 N ATOM 951 CA SER A 145 55.014 -0.782 38.135 1.00 10.90 C ATOM 952 C SER A 145 56.515 -0.742 37.915 1.00 10.68 C ATOM 953 O SER A 145 57.115 0.335 37.907 1.00 9.39 O ATOM 954 CB SER A 145 54.700 -1.164 39.581 1.00 9.69 C ATOM 955 OG SER A 145 53.304 -1.133 39.836 1.00 10.19 O ATOM 956 HG SER A 145 52.960 -0.220 39.671 1.00 0.00 H ATOM 957 H SER A 145 53.893 -2.558 37.566 1.00 0.00 H ATOM 958 N ASN A 146 57.143 -1.914 37.720 1.00 9.19 N ATOM 959 CA ASN A 146 58.579 -1.925 37.465 1.00 10.29 C ATOM 960 C ASN A 146 58.911 -1.303 36.122 1.00 9.50 C ATOM 961 O ASN A 146 59.973 -0.685 35.976 1.00 12.93 O ATOM 962 CB ASN A 146 59.113 -3.347 37.553 1.00 9.61 C ATOM 963 CG ASN A 146 59.051 -3.870 38.949 1.00 9.50 C ATOM 964 OD1 ASN A 146 59.081 -3.082 39.902 1.00 9.32 O ATOM 965 ND2 ASN A 146 58.966 -5.191 39.101 1.00 10.20 N ATOM 966 HD22 ASN A 146 58.944 -5.810 38.266 1.00 0.00 H ATOM 967 HD21 ASN A 146 58.922 -5.603 40.055 1.00 0.00 H ATOM 968 H ASN A 146 56.609 -2.806 37.751 1.00 0.00 H ATOM 969 N GLN A 147 58.011 -1.448 35.148 1.00 11.60 N ATOM 970 CA GLN A 147 58.178 -0.775 33.867 1.00 14.77 C ATOM 971 C GLN A 147 58.128 0.740 34.037 1.00 13.47 C ATOM 972 O GLN A 147 58.954 1.468 33.473 1.00 15.16 O ATOM 973 CB GLN A 147 57.098 -1.259 32.896 1.00 15.42 C ATOM 974 CG GLN A 147 57.096 -0.559 31.524 1.00 18.79 C ATOM 975 CD GLN A 147 55.858 -0.903 30.682 1.00 23.46 C ATOM 976 OE1 GLN A 147 55.102 -0.020 30.277 1.00 28.56 O ATOM 977 NE2 GLN A 147 55.652 -2.189 30.428 1.00 21.29 N ATOM 978 HE22 GLN A 147 56.316 -2.903 30.789 1.00 0.00 H ATOM 979 HE21 GLN A 147 54.827 -2.483 29.868 1.00 0.00 H ATOM 980 H GLN A 147 57.178 -2.050 35.306 1.00 0.00 H ATOM 981 N LEU A 148 57.162 1.231 34.816 1.00 13.14 N ATOM 982 CA LEU A 148 56.991 2.676 34.983 1.00 10.02 C ATOM 983 C LEU A 148 58.058 3.291 35.886 1.00 14.73 C ATOM 984 O LEU A 148 58.356 4.489 35.759 1.00 14.43 O ATOM 985 CB LEU A 148 55.608 2.973 35.562 1.00 12.32 C ATOM 986 CG LEU A 148 54.358 2.738 34.723 1.00 12.67 C ATOM 987 CD1 LEU A 148 53.115 2.762 35.616 1.00 16.27 C ATOM 988 CD2 LEU A 148 54.262 3.780 33.618 1.00 20.55 C ATOM 989 H LEU A 148 56.522 0.578 35.311 1.00 0.00 H ATOM 990 N ALA A 149 58.611 2.514 36.820 1.00 10.57 N ATOM 991 CA ALA A 149 59.436 3.066 37.899 1.00 13.66 C ATOM 992 C ALA A 149 60.568 3.970 37.423 1.00 14.82 C ATOM 993 O ALA A 149 60.762 5.040 38.021 1.00 14.26 O ATOM 994 CB ALA A 149 59.996 1.922 38.759 1.00 12.61 C ATOM 995 H ALA A 149 58.452 1.487 36.781 1.00 0.00 H ATOM 996 N PRO A 150 61.349 3.619 36.399 1.00 13.49 N ATOM 997 CA PRO A 150 62.393 4.556 35.940 1.00 17.36 C ATOM 998 C PRO A 150 61.856 5.935 35.593 1.00 14.03 C ATOM 999 O PRO A 150 62.407 6.951 36.042 1.00 18.27 O ATOM 1000 CB PRO A 150 62.965 3.837 34.715 1.00 19.48 C ATOM 1001 CG PRO A 150 62.760 2.396 35.029 1.00 17.36 C ATOM 1002 CD PRO A 150 61.442 2.322 35.699 1.00 11.82 C ATOM 1003 N GLN A 151 60.776 5.994 34.819 1.00 12.99 N ATOM 1004 CA GLN A 151 60.230 7.286 34.417 1.00 17.04 C ATOM 1005 C GLN A 151 59.638 8.020 35.610 1.00 16.50 C ATOM 1006 O GLN A 151 59.758 9.247 35.713 1.00 15.91 O ATOM 1007 CB GLN A 151 59.173 7.101 33.327 1.00 20.60 C ATOM 1008 CG GLN A 151 59.722 6.785 31.934 1.00 21.82 C ATOM 1009 CD GLN A 151 58.618 6.485 30.919 1.00 28.48 C ATOM 1010 OE1 GLN A 151 57.445 6.349 31.274 1.00 32.33 O ATOM 1011 NE2 GLN A 151 58.996 6.373 29.654 1.00 15.79 N ATOM 1012 HE22 GLN A 151 59.996 6.495 29.397 1.00 0.00 H ATOM 1013 HE21 GLN A 151 58.292 6.163 28.918 1.00 0.00 H ATOM 1014 H GLN A 151 60.319 5.116 34.499 1.00 0.00 H ATOM 1015 N GLU A 152 59.000 7.282 36.527 1.00 14.22 N ATOM 1016 CA GLU A 152 58.376 7.887 37.702 1.00 13.55 C ATOM 1017 C GLU A 152 59.397 8.328 38.735 1.00 16.63 C ATOM 1018 O GLU A 152 59.028 8.967 39.731 1.00 18.70 O ATOM 1019 CB GLU A 152 57.380 6.908 38.332 1.00 12.74 C ATOM 1020 CG GLU A 152 56.183 6.540 37.447 1.00 14.19 C ATOM 1021 CD GLU A 152 55.285 7.732 37.147 1.00 19.30 C ATOM 1022 OE1 GLU A 152 55.306 8.705 37.931 1.00 16.87 O ATOM 1023 OE2 GLU A 152 54.559 7.688 36.130 1.00 19.10 O ATOM 1024 H GLU A 152 58.947 6.251 36.400 1.00 0.00 H ATOM 1025 N GLY A 153 60.675 8.039 38.510 1.00 13.16 N ATOM 1026 CA GLY A 153 61.694 8.392 39.469 1.00 10.12 C ATOM 1027 C GLY A 153 61.801 7.449 40.642 1.00 15.99 C ATOM 1028 O GLY A 153 62.350 7.838 41.676 1.00 14.12 O ATOM 1029 H GLY A 153 60.944 7.552 37.631 1.00 0.00 H ATOM 1030 N MET A 154 61.304 6.221 40.511 1.00 11.98 N ATOM 1031 CA MET A 154 61.461 5.194 41.535 1.00 11.50 C ATOM 1032 C MET A 154 62.541 4.187 41.128 1.00 16.93 C ATOM 1033 O MET A 154 62.861 4.022 39.946 1.00 15.31 O ATOM 1034 CB MET A 154 60.145 4.446 41.781 1.00 14.03 C ATOM 1035 CG MET A 154 58.884 5.287 41.879 1.00 11.82 C ATOM 1036 SD MET A 154 58.839 6.203 43.433 1.00 13.94 S ATOM 1037 CE MET A 154 58.389 7.834 42.804 1.00 13.10 C ATOM 1038 H MET A 154 60.782 5.984 39.643 1.00 0.00 H ATOM 1039 N VAL A 155 63.108 3.520 42.132 1.00 12.70 N ATOM 1040 CA VAL A 155 63.881 2.301 41.908 1.00 11.69 C ATOM 1041 C VAL A 155 62.893 1.149 41.752 1.00 10.30 C ATOM 1042 O VAL A 155 61.933 1.041 42.523 1.00 11.26 O ATOM 1043 CB VAL A 155 64.864 2.058 43.067 1.00 14.48 C ATOM 1044 CG1 VAL A 155 65.585 0.727 42.896 1.00 16.90 C ATOM 1045 CG2 VAL A 155 65.867 3.208 43.164 1.00 20.86 C ATOM 1046 H VAL A 155 62.997 3.877 43.102 1.00 0.00 H ATOM 1047 N ALA A 156 63.085 0.321 40.729 1.00 9.61 N ATOM 1048 CA ALA A 156 62.177 -0.798 40.515 1.00 11.87 C ATOM 1049 C ALA A 156 62.353 -1.842 41.608 1.00 8.25 C ATOM 1050 O ALA A 156 63.432 -1.978 42.197 1.00 9.09 O ATOM 1051 CB ALA A 156 62.422 -1.448 39.155 1.00 12.08 C ATOM 1052 H ALA A 156 63.884 0.473 40.081 1.00 0.00 H ATOM 1053 N ALA A 157 61.267 -2.560 41.891 1.00 8.26 N ATOM 1054 CA ALA A 157 61.349 -3.782 42.670 1.00 8.98 C ATOM 1055 C ALA A 157 62.149 -4.831 41.903 1.00 10.11 C ATOM 1056 O ALA A 157 62.258 -4.791 40.672 1.00 11.43 O ATOM 1057 CB ALA A 157 59.955 -4.317 42.980 1.00 8.49 C ATOM 1058 H ALA A 157 60.340 -2.238 41.546 1.00 0.00 H ATOM 1059 N GLN A 158 62.717 -5.777 42.657 1.00 9.34 N ATOM 1060 CA GLN A 158 63.606 -6.786 42.097 1.00 7.07 C ATOM 1061 C GLN A 158 62.860 -7.879 41.339 1.00 10.54 C ATOM 1062 O GLN A 158 63.479 -8.594 40.545 1.00 13.46 O ATOM 1063 CB GLN A 158 64.440 -7.417 43.221 1.00 10.25 C ATOM 1064 CG GLN A 158 65.353 -6.447 43.952 1.00 11.97 C ATOM 1065 CD GLN A 158 65.865 -7.021 45.271 1.00 16.32 C ATOM 1066 OE1 GLN A 158 65.231 -7.890 45.874 1.00 19.16 O ATOM 1067 NE2 GLN A 158 67.017 -6.545 45.715 1.00 20.27 N ATOM 1068 HE22 GLN A 158 67.519 -5.812 45.175 1.00 0.00 H ATOM 1069 HE21 GLN A 158 67.420 -6.904 46.604 1.00 0.00 H ATOM 1070 H GLN A 158 62.518 -5.793 43.678 1.00 0.00 H ATOM 1071 N HIS A 159 61.555 -8.020 41.566 1.00 7.53 N ATOM 1072 CA HIS A 159 60.760 -9.090 40.986 1.00 7.72 C ATOM 1073 C HIS A 159 59.443 -8.530 40.475 1.00 9.79 C ATOM 1074 O HIS A 159 58.846 -7.649 41.105 1.00 9.00 O ATOM 1075 CB HIS A 159 60.475 -10.182 42.013 1.00 7.81 C ATOM 1076 CG HIS A 159 61.706 -10.751 42.639 1.00 10.22 C ATOM 1077 ND1 HIS A 159 62.497 -11.682 42.003 1.00 12.05 N ATOM 1078 CD2 HIS A 159 62.284 -10.521 43.839 1.00 10.11 C ATOM 1079 CE1 HIS A 159 63.513 -11.999 42.788 1.00 17.61 C ATOM 1080 NE2 HIS A 159 63.410 -11.304 43.906 1.00 15.32 N ATOM 1081 H HIS A 159 61.083 -7.332 42.187 1.00 0.00 H ATOM 1082 N SER A 160 58.984 -9.057 39.339 1.00 9.24 N ATOM 1083 CA SER A 160 57.771 -8.570 38.690 1.00 9.21 C ATOM 1084 C SER A 160 56.647 -9.574 38.881 1.00 11.65 C ATOM 1085 O SER A 160 56.818 -10.758 38.578 1.00 11.27 O ATOM 1086 CB SER A 160 57.997 -8.336 37.195 1.00 12.52 C ATOM 1087 OG SER A 160 58.746 -7.158 36.965 1.00 11.92 O ATOM 1088 HG SER A 160 59.628 -7.237 37.408 1.00 0.00 H ATOM 1089 H SER A 160 59.508 -9.841 38.901 1.00 0.00 H ATOM 1090 N LEU A 161 55.502 -9.091 39.359 1.00 9.76 N ATOM 1091 CA LEU A 161 54.287 -9.893 39.438 1.00 9.80 C ATOM 1092 C LEU A 161 53.515 -9.778 38.127 1.00 11.99 C ATOM 1093 O LEU A 161 53.427 -8.695 37.542 1.00 12.75 O ATOM 1094 CB LEU A 161 53.392 -9.427 40.591 1.00 12.03 C ATOM 1095 CG LEU A 161 53.959 -9.353 42.013 1.00 10.80 C ATOM 1096 CD1 LEU A 161 53.019 -8.560 42.942 1.00 12.86 C ATOM 1097 CD2 LEU A 161 54.228 -10.741 42.556 1.00 13.21 C ATOM 1098 H LEU A 161 55.473 -8.105 39.688 1.00 0.00 H ATOM 1099 N THR A 162 52.954 -10.893 37.663 1.00 13.06 N ATOM 1100 CA THR A 162 51.999 -10.833 36.566 1.00 15.14 C ATOM 1101 C THR A 162 50.644 -11.340 37.042 1.00 14.32 C ATOM 1102 O THR A 162 50.535 -12.016 38.068 1.00 15.90 O ATOM 1103 CB THR A 162 52.466 -11.638 35.347 1.00 17.02 C ATOM 1104 OG1 THR A 162 52.614 -13.005 35.719 1.00 18.37 O ATOM 1105 CG2 THR A 162 53.790 -11.115 34.827 1.00 21.92 C ATOM 1106 HG1 THR A 162 52.915 -13.528 34.935 1.00 0.00 H ATOM 1107 H THR A 162 53.199 -11.811 38.086 1.00 0.00 H ATOM 1108 N PHE A 163 49.603 -11.007 36.285 1.00 14.95 N ATOM 1109 CA PHE A 163 48.237 -11.221 36.741 1.00 15.26 C ATOM 1110 C PHE A 163 47.407 -11.913 35.673 1.00 18.52 C ATOM 1111 O PHE A 163 47.506 -11.583 34.492 1.00 23.56 O ATOM 1112 CB PHE A 163 47.595 -9.896 37.122 1.00 19.89 C ATOM 1113 CG PHE A 163 48.298 -9.216 38.248 1.00 16.19 C ATOM 1114 CD1 PHE A 163 49.347 -8.341 38.003 1.00 14.70 C ATOM 1115 CD2 PHE A 163 47.942 -9.493 39.556 1.00 16.50 C ATOM 1116 CE1 PHE A 163 50.015 -7.736 39.041 1.00 13.37 C ATOM 1117 CE2 PHE A 163 48.601 -8.889 40.614 1.00 14.93 C ATOM 1118 CZ PHE A 163 49.638 -8.011 40.355 1.00 12.57 C ATOM 1119 H PHE A 163 49.768 -10.585 35.349 1.00 0.00 H ATOM 1120 N ALA A 164 46.569 -12.850 36.111 1.00 22.27 N ATOM 1121 CA ALA A 164 45.604 -13.502 35.236 1.00 24.54 C ATOM 1122 C ALA A 164 44.471 -12.546 34.851 1.00 30.39 C ATOM 1123 O ALA A 164 44.355 -11.423 35.354 1.00 26.53 O ATOM 1124 CB ALA A 164 45.026 -14.746 35.909 1.00 24.62 C ATOM 1125 H ALA A 164 46.605 -13.126 37.113 1.00 0.00 H ATOM 1126 N ALA A 165 43.611 -13.021 33.943 1.00 32.70 N ATOM 1127 CA ALA A 165 42.497 -12.206 33.470 1.00 25.42 C ATOM 1128 C ALA A 165 41.458 -11.964 34.555 1.00 21.94 C ATOM 1129 O ALA A 165 40.775 -10.937 34.531 1.00 36.20 O ATOM 1130 CB ALA A 165 41.834 -12.860 32.259 1.00 26.90 C ATOM 1131 H ALA A 165 43.738 -13.983 33.570 1.00 0.00 H ATOM 1132 N ASN A 166 41.299 -12.888 35.500 1.00 26.54 N ATOM 1133 CA ASN A 166 40.406 -12.619 36.619 1.00 27.59 C ATOM 1134 C ASN A 166 41.012 -11.656 37.635 1.00 28.77 C ATOM 1135 O ASN A 166 40.362 -11.366 38.645 1.00 30.59 O ATOM 1136 CB ASN A 166 40.003 -13.920 37.315 1.00 26.16 C ATOM 1137 CG ASN A 166 41.170 -14.635 37.934 1.00 24.55 C ATOM 1138 OD1 ASN A 166 42.321 -14.233 37.774 1.00 28.86 O ATOM 1139 ND2 ASN A 166 40.881 -15.711 38.652 1.00 33.46 N ATOM 1140 HD22 ASN A 166 39.892 -16.014 38.760 1.00 0.00 H ATOM 1141 HD21 ASN A 166 41.643 -16.252 39.107 1.00 0.00 H ATOM 1142 H ASN A 166 41.807 -13.793 35.440 1.00 0.00 H ATOM 1143 N GLY A 167 42.234 -11.166 37.392 1.00 25.21 N ATOM 1144 CA GLY A 167 42.882 -10.189 38.246 1.00 22.76 C ATOM 1145 C GLY A 167 43.779 -10.759 39.325 1.00 22.48 C ATOM 1146 O GLY A 167 44.609 -10.022 39.876 1.00 18.01 O ATOM 1147 H GLY A 167 42.743 -11.502 36.550 1.00 0.00 H ATOM 1148 N TRP A 168 43.639 -12.037 39.656 1.00 20.74 N ATOM 1149 CA TRP A 168 44.465 -12.598 40.709 1.00 16.91 C ATOM 1150 C TRP A 168 45.900 -12.744 40.227 1.00 16.23 C ATOM 1151 O TRP A 168 46.171 -13.007 39.049 1.00 16.80 O ATOM 1152 CB TRP A 168 43.917 -13.946 41.182 1.00 20.40 C ATOM 1153 CG TRP A 168 42.686 -13.809 42.027 1.00 22.42 C ATOM 1154 CD1 TRP A 168 41.423 -14.214 41.706 1.00 23.69 C ATOM 1155 CD2 TRP A 168 42.595 -13.206 43.325 1.00 24.29 C ATOM 1156 NE1 TRP A 168 40.553 -13.912 42.725 1.00 26.67 N ATOM 1157 CE2 TRP A 168 41.248 -13.293 43.732 1.00 27.66 C ATOM 1158 CE3 TRP A 168 43.521 -12.608 44.186 1.00 19.98 C ATOM 1159 CZ2 TRP A 168 40.803 -12.796 44.959 1.00 27.46 C ATOM 1160 CZ3 TRP A 168 43.077 -12.119 45.408 1.00 19.55 C ATOM 1161 CH2 TRP A 168 41.732 -12.211 45.780 1.00 22.57 C ATOM 1162 HE1 TRP A 168 39.534 -14.119 42.732 1.00 0.00 H ATOM 1163 H TRP A 168 42.942 -12.632 39.164 1.00 0.00 H ATOM 1164 N VAL A 169 46.834 -12.554 41.156 1.00 15.64 N ATOM 1165 CA VAL A 169 48.235 -12.712 40.802 1.00 12.22 C ATOM 1166 C VAL A 169 48.470 -14.148 40.354 1.00 15.71 C ATOM 1167 O VAL A 169 47.843 -15.092 40.855 1.00 15.16 O ATOM 1168 CB VAL A 169 49.146 -12.306 41.979 1.00 12.96 C ATOM 1169 CG1 VAL A 169 49.081 -13.313 43.129 1.00 13.66 C ATOM 1170 CG2 VAL A 169 50.564 -12.127 41.502 1.00 12.31 C ATOM 1171 H VAL A 169 46.564 -12.295 42.126 1.00 0.00 H ATOM 1172 N GLU A 170 49.323 -14.312 39.359 1.00 14.90 N ATOM 1173 CA GLU A 170 49.765 -15.656 38.996 1.00 18.14 C ATOM 1174 C GLU A 170 50.678 -16.140 40.108 1.00 14.78 C ATOM 1175 O GLU A 170 51.736 -15.534 40.329 1.00 17.46 O ATOM 1176 CB GLU A 170 50.495 -15.659 37.662 1.00 19.46 C ATOM 1177 CG GLU A 170 49.642 -15.211 36.488 1.00 20.75 C ATOM 1178 CD GLU A 170 48.834 -16.338 35.857 1.00 33.55 C ATOM 1179 OE1 GLU A 170 48.275 -16.106 34.763 1.00 32.52 O ATOM 1180 OE2 GLU A 170 48.751 -17.441 36.449 1.00 34.96 O ATOM 1181 H GLU A 170 49.679 -13.487 38.836 1.00 0.00 H ATOM 1182 N PRO A 171 50.312 -17.196 40.843 1.00 13.36 N ATOM 1183 CA PRO A 171 51.098 -17.578 42.026 1.00 15.30 C ATOM 1184 C PRO A 171 52.550 -17.877 41.730 1.00 11.73 C ATOM 1185 O PRO A 171 53.394 -17.674 42.605 1.00 13.45 O ATOM 1186 CB PRO A 171 50.366 -18.823 42.552 1.00 17.49 C ATOM 1187 CG PRO A 171 49.468 -19.261 41.454 1.00 19.70 C ATOM 1188 CD PRO A 171 49.130 -18.050 40.657 1.00 17.03 C ATOM 1189 N ALA A 172 52.878 -18.343 40.519 1.00 15.58 N ATOM 1190 CA ALA A 172 54.273 -18.610 40.185 1.00 12.70 C ATOM 1191 C ALA A 172 55.130 -17.350 40.221 1.00 11.58 C ATOM 1192 O ALA A 172 56.363 -17.452 40.313 1.00 13.35 O ATOM 1193 CB ALA A 172 54.380 -19.271 38.807 1.00 12.66 C ATOM 1194 H ALA A 172 52.135 -18.516 39.812 1.00 0.00 H ATOM 1195 N THR A 173 54.521 -16.167 40.171 1.00 11.83 N ATOM 1196 CA THR A 173 55.285 -14.931 40.281 1.00 9.93 C ATOM 1197 C THR A 173 55.280 -14.356 41.688 1.00 12.67 C ATOM 1198 O THR A 173 55.942 -13.344 41.931 1.00 13.13 O ATOM 1199 CB THR A 173 54.767 -13.871 39.295 1.00 11.78 C ATOM 1200 OG1 THR A 173 53.468 -13.410 39.694 1.00 11.35 O ATOM 1201 CG2 THR A 173 54.715 -14.439 37.879 1.00 13.11 C ATOM 1202 HG1 THR A 173 52.838 -14.174 39.708 1.00 0.00 H ATOM 1203 H THR A 173 53.489 -16.125 40.052 1.00 0.00 H ATOM 1204 N ALA A 174 54.569 -14.981 42.626 1.00 12.26 N ATOM 1205 CA ALA A 174 54.492 -14.510 44.010 1.00 12.43 C ATOM 1206 C ALA A 174 54.935 -15.602 44.973 1.00 13.41 C ATOM 1207 O ALA A 174 54.160 -16.017 45.839 1.00 12.84 O ATOM 1208 CB ALA A 174 53.073 -14.056 44.341 1.00 13.77 C ATOM 1209 H ALA A 174 54.046 -15.841 42.363 1.00 0.00 H ATOM 1210 N PRO A 175 56.171 -16.091 44.855 1.00 9.77 N ATOM 1211 CA PRO A 175 56.607 -17.167 45.752 1.00 12.06 C ATOM 1212 C PRO A 175 56.629 -16.684 47.193 1.00 13.29 C ATOM 1213 O PRO A 175 57.007 -15.546 47.479 1.00 12.70 O ATOM 1214 CB PRO A 175 58.016 -17.495 45.254 1.00 12.50 C ATOM 1215 CG PRO A 175 58.499 -16.183 44.677 1.00 13.76 C ATOM 1216 CD PRO A 175 57.287 -15.568 44.044 1.00 11.95 C ATOM 1217 N ASN A 176 56.173 -17.555 48.096 1.00 12.86 N ATOM 1218 CA ASN A 176 56.344 -17.376 49.536 1.00 12.80 C ATOM 1219 C ASN A 176 55.623 -16.140 50.061 1.00 13.49 C ATOM 1220 O ASN A 176 56.024 -15.559 51.078 1.00 10.77 O ATOM 1221 CB ASN A 176 57.826 -17.338 49.906 1.00 14.37 C ATOM 1222 CG ASN A 176 58.527 -18.638 49.589 1.00 18.87 C ATOM 1223 OD1 ASN A 176 58.152 -19.691 50.096 1.00 19.43 O ATOM 1224 ND2 ASN A 176 59.541 -18.574 48.732 1.00 28.66 N ATOM 1225 HD22 ASN A 176 59.823 -17.658 48.328 1.00 0.00 H ATOM 1226 HD21 ASN A 176 60.052 -19.440 48.466 1.00 0.00 H ATOM 1227 H ASN A 176 55.672 -18.402 47.758 1.00 0.00 H ATOM 1228 N PHE A 177 54.529 -15.753 49.402 1.00 9.69 N ATOM 1229 CA PHE A 177 53.733 -14.628 49.875 1.00 8.18 C ATOM 1230 C PHE A 177 52.876 -14.972 51.087 1.00 10.56 C ATOM 1231 O PHE A 177 52.275 -14.066 51.671 1.00 13.22 O ATOM 1232 CB PHE A 177 52.850 -14.092 48.742 1.00 10.66 C ATOM 1233 CG PHE A 177 53.494 -12.973 47.947 1.00 12.54 C ATOM 1234 CD1 PHE A 177 54.820 -13.063 47.548 1.00 11.91 C ATOM 1235 CD2 PHE A 177 52.775 -11.832 47.610 1.00 14.31 C ATOM 1236 CE1 PHE A 177 55.424 -12.038 46.819 1.00 11.46 C ATOM 1237 CE2 PHE A 177 53.369 -10.796 46.877 1.00 14.73 C ATOM 1238 CZ PHE A 177 54.693 -10.902 46.486 1.00 12.35 C ATOM 1239 H PHE A 177 54.241 -16.260 48.541 1.00 0.00 H ATOM 1240 N GLY A 178 52.817 -16.239 51.497 1.00 14.96 N ATOM 1241 CA GLY A 178 52.067 -16.610 52.676 1.00 13.16 C ATOM 1242 C GLY A 178 50.626 -16.143 52.607 1.00 13.77 C ATOM 1243 O GLY A 178 49.886 -16.446 51.663 1.00 16.47 O ATOM 1244 H GLY A 178 53.319 -16.974 50.959 1.00 0.00 H ATOM 1245 N PRO A 179 50.202 -15.367 53.603 1.00 12.26 N ATOM 1246 CA PRO A 179 48.803 -14.927 53.646 1.00 13.51 C ATOM 1247 C PRO A 179 48.488 -13.736 52.755 1.00 12.15 C ATOM 1248 O PRO A 179 47.325 -13.326 52.694 1.00 15.41 O ATOM 1249 CB PRO A 179 48.615 -14.576 55.129 1.00 17.23 C ATOM 1250 CG PRO A 179 49.962 -14.088 55.557 1.00 17.75 C ATOM 1251 CD PRO A 179 50.988 -14.847 54.737 1.00 14.25 C ATOM 1252 N LEU A 180 49.479 -13.156 52.075 1.00 12.21 N ATOM 1253 CA LEU A 180 49.243 -12.019 51.190 1.00 11.15 C ATOM 1254 C LEU A 180 48.591 -12.485 49.894 1.00 14.92 C ATOM 1255 O LEU A 180 49.182 -13.273 49.149 1.00 17.20 O ATOM 1256 CB LEU A 180 50.558 -11.310 50.884 1.00 11.53 C ATOM 1257 CG LEU A 180 51.241 -10.600 52.047 1.00 12.18 C ATOM 1258 CD1 LEU A 180 52.407 -9.760 51.522 1.00 13.82 C ATOM 1259 CD2 LEU A 180 50.242 -9.754 52.821 1.00 14.82 C ATOM 1260 H LEU A 180 50.446 -13.524 52.178 1.00 0.00 H ATOM 1261 N LYS A 181 47.396 -11.971 49.611 1.00 10.54 N ATOM 1262 CA LYS A 181 46.609 -12.343 48.434 1.00 13.53 C ATOM 1263 C LYS A 181 46.513 -11.126 47.518 1.00 12.80 C ATOM 1264 O LYS A 181 45.752 -10.195 47.796 1.00 12.69 O ATOM 1265 CB LYS A 181 45.219 -12.830 48.843 1.00 17.32 C ATOM 1266 CG LYS A 181 45.209 -14.142 49.621 1.00 22.12 C ATOM 1267 CD LYS A 181 43.932 -14.923 49.341 1.00 33.92 C ATOM 1268 CE LYS A 181 43.606 -15.918 50.455 1.00 38.66 C ATOM 1269 NZ LYS A 181 42.907 -15.261 51.596 1.00 40.58 N ATOM 1270 HZ1 LYS A 181 43.515 -14.515 51.991 1.00 0.00 H ATOM 1271 HZ2 LYS A 181 42.016 -14.842 51.260 1.00 0.00 H ATOM 1272 HZ3 LYS A 181 42.703 -15.969 52.330 1.00 0.00 H ATOM 1273 H LYS A 181 46.999 -11.265 50.263 1.00 0.00 H ATOM 1274 N VAL A 182 47.246 -11.145 46.413 1.00 11.77 N ATOM 1275 CA VAL A 182 47.474 -9.947 45.615 1.00 11.37 C ATOM 1276 C VAL A 182 46.542 -9.940 44.407 1.00 13.79 C ATOM 1277 O VAL A 182 46.447 -10.932 43.669 1.00 13.97 O ATOM 1278 CB VAL A 182 48.946 -9.847 45.184 1.00 11.91 C ATOM 1279 CG1 VAL A 182 49.171 -8.558 44.432 1.00 14.08 C ATOM 1280 CG2 VAL A 182 49.852 -9.924 46.406 1.00 12.60 C ATOM 1281 H VAL A 182 47.672 -12.043 46.106 1.00 0.00 H ATOM 1282 N PHE A 183 45.870 -8.814 44.195 1.00 13.15 N ATOM 1283 CA PHE A 183 44.815 -8.710 43.202 1.00 15.08 C ATOM 1284 C PHE A 183 44.957 -7.423 42.402 1.00 15.20 C ATOM 1285 O PHE A 183 45.088 -6.332 42.969 1.00 12.62 O ATOM 1286 CB PHE A 183 43.438 -8.767 43.871 1.00 15.02 C ATOM 1287 CG PHE A 183 42.298 -8.638 42.907 1.00 16.65 C ATOM 1288 CD1 PHE A 183 41.978 -9.688 42.052 1.00 20.96 C ATOM 1289 CD2 PHE A 183 41.561 -7.472 42.834 1.00 16.24 C ATOM 1290 CE1 PHE A 183 40.930 -9.570 41.158 1.00 21.14 C ATOM 1291 CE2 PHE A 183 40.515 -7.357 41.945 1.00 18.69 C ATOM 1292 CZ PHE A 183 40.203 -8.402 41.106 1.00 15.49 C ATOM 1293 H PHE A 183 46.108 -7.975 44.761 1.00 0.00 H ATOM 1294 N TYR A 184 44.931 -7.554 41.080 1.00 13.44 N ATOM 1295 CA TYR A 184 44.923 -6.390 40.217 1.00 14.40 C ATOM 1296 C TYR A 184 43.478 -6.091 39.845 1.00 17.88 C ATOM 1297 O TYR A 184 42.863 -6.876 39.099 1.00 18.14 O ATOM 1298 CB TYR A 184 45.770 -6.629 38.970 1.00 15.78 C ATOM 1299 CG TYR A 184 45.683 -5.502 37.975 1.00 14.00 C ATOM 1300 CD1 TYR A 184 46.115 -4.229 38.305 1.00 16.60 C ATOM 1301 CD2 TYR A 184 45.155 -5.709 36.713 1.00 18.97 C ATOM 1302 CE1 TYR A 184 46.020 -3.188 37.407 1.00 18.78 C ATOM 1303 CE2 TYR A 184 45.062 -4.679 35.802 1.00 19.32 C ATOM 1304 CZ TYR A 184 45.495 -3.421 36.151 1.00 20.49 C ATOM 1305 OH TYR A 184 45.407 -2.391 35.237 1.00 21.89 O ATOM 1306 HH TYR A 184 45.758 -1.560 35.644 1.00 0.00 H ATOM 1307 H TYR A 184 44.916 -8.505 40.659 1.00 0.00 H ATOM 1308 N PRO A 185 42.886 -5.007 40.348 1.00 16.06 N ATOM 1309 CA PRO A 185 41.461 -4.744 40.107 1.00 19.54 C ATOM 1310 C PRO A 185 41.164 -4.071 38.781 1.00 21.52 C ATOM 1311 O PRO A 185 39.987 -3.872 38.462 1.00 20.69 O ATOM 1312 CB PRO A 185 41.101 -3.816 41.270 1.00 15.35 C ATOM 1313 CG PRO A 185 42.344 -2.989 41.407 1.00 15.26 C ATOM 1314 CD PRO A 185 43.487 -3.977 41.218 1.00 15.88 C ATOM 1315 N GLY A 186 42.187 -3.732 38.008 1.00 18.61 N ATOM 1316 CA GLY A 186 42.018 -2.925 36.828 1.00 19.42 C ATOM 1317 C GLY A 186 42.529 -1.527 37.090 1.00 20.67 C ATOM 1318 O GLY A 186 42.761 -1.136 38.241 1.00 22.70 O ATOM 1319 H GLY A 186 43.141 -4.059 38.262 1.00 0.00 H ATOM 1320 N PRO A 187 42.708 -0.738 36.034 1.00 18.55 N ATOM 1321 CA PRO A 187 43.284 0.596 36.214 1.00 19.97 C ATOM 1322 C PRO A 187 42.304 1.548 36.886 1.00 22.20 C ATOM 1323 O PRO A 187 41.084 1.469 36.702 1.00 24.95 O ATOM 1324 CB PRO A 187 43.618 1.036 34.784 1.00 22.13 C ATOM 1325 CG PRO A 187 42.675 0.275 33.924 1.00 22.40 C ATOM 1326 CD PRO A 187 42.306 -0.997 34.639 1.00 19.24 C ATOM 1327 N GLY A 188 42.858 2.443 37.698 1.00 18.08 N ATOM 1328 CA GLY A 188 42.050 3.362 38.477 1.00 19.42 C ATOM 1329 C GLY A 188 42.830 4.581 38.909 1.00 19.77 C ATOM 1330 O GLY A 188 43.035 5.506 38.119 1.00 20.49 O ATOM 1331 H GLY A 188 43.894 2.485 37.777 1.00 0.00 H ATOM 1332 N HIS A 189 43.261 4.609 40.172 1.00 14.49 N ATOM 1333 CA HIS A 189 44.146 5.682 40.610 1.00 17.25 C ATOM 1334 C HIS A 189 45.374 5.781 39.715 1.00 16.47 C ATOM 1335 O HIS A 189 45.835 6.881 39.389 1.00 13.54 O ATOM 1336 CB HIS A 189 44.567 5.457 42.061 1.00 14.38 C ATOM 1337 CG HIS A 189 45.758 6.265 42.464 1.00 14.06 C ATOM 1338 ND1 HIS A 189 45.691 7.624 42.691 1.00 15.86 N ATOM 1339 CD2 HIS A 189 47.047 5.909 42.672 1.00 12.73 C ATOM 1340 CE1 HIS A 189 46.893 8.071 43.015 1.00 15.85 C ATOM 1341 NE2 HIS A 189 47.730 7.049 43.025 1.00 17.70 N ATOM 1342 H HIS A 189 42.967 3.869 40.841 1.00 0.00 H ATOM 1343 N THR A 190 45.926 4.635 39.326 1.00 15.45 N ATOM 1344 CA THR A 190 46.943 4.536 38.292 1.00 15.24 C ATOM 1345 C THR A 190 46.614 3.315 37.442 1.00 14.05 C ATOM 1346 O THR A 190 45.790 2.475 37.811 1.00 17.34 O ATOM 1347 CB THR A 190 48.362 4.392 38.869 1.00 16.94 C ATOM 1348 OG1 THR A 190 48.397 3.245 39.733 1.00 12.80 O ATOM 1349 CG2 THR A 190 48.766 5.619 39.653 1.00 14.28 C ATOM 1350 HG1 THR A 190 49.307 3.144 40.109 1.00 0.00 H ATOM 1351 H THR A 190 45.612 3.758 39.789 1.00 0.00 H ATOM 1352 N SER A 191 47.276 3.210 36.296 1.00 14.34 N ATOM 1353 CA SER A 191 47.067 2.034 35.468 1.00 15.19 C ATOM 1354 C SER A 191 47.663 0.780 36.096 1.00 18.37 C ATOM 1355 O SER A 191 47.226 -0.329 35.763 1.00 17.38 O ATOM 1356 CB SER A 191 47.659 2.265 34.081 1.00 23.85 C ATOM 1357 OG SER A 191 46.835 3.152 33.335 1.00 31.97 O ATOM 1358 HG SER A 191 47.231 3.293 32.438 1.00 0.00 H ATOM 1359 H SER A 191 47.934 3.957 35.996 1.00 0.00 H ATOM 1360 N ASP A 192 48.629 0.929 37.009 1.00 16.62 N ATOM 1361 CA ASP A 192 49.350 -0.207 37.576 1.00 14.15 C ATOM 1362 C ASP A 192 48.945 -0.544 39.012 1.00 15.71 C ATOM 1363 O ASP A 192 49.527 -1.463 39.592 1.00 13.40 O ATOM 1364 CB ASP A 192 50.874 0.035 37.495 1.00 10.55 C ATOM 1365 CG ASP A 192 51.350 1.223 38.349 1.00 15.47 C ATOM 1366 OD1 ASP A 192 50.672 2.271 38.343 1.00 12.45 O ATOM 1367 OD2 ASP A 192 52.430 1.125 38.997 1.00 12.24 O ATOM 1368 H ASP A 192 48.875 1.888 37.326 1.00 0.00 H ATOM 1369 N ASN A 193 47.937 0.121 39.589 1.00 14.88 N ATOM 1370 CA ASN A 193 47.657 -0.089 41.009 1.00 14.94 C ATOM 1371 C ASN A 193 47.165 -1.507 41.303 1.00 14.84 C ATOM 1372 O ASN A 193 46.320 -2.060 40.592 1.00 13.50 O ATOM 1373 CB ASN A 193 46.660 0.957 41.560 1.00 10.85 C ATOM 1374 CG ASN A 193 45.409 1.169 40.688 1.00 15.85 C ATOM 1375 OD1 ASN A 193 44.807 2.245 40.730 1.00 17.09 O ATOM 1376 ND2 ASN A 193 44.993 0.149 39.947 1.00 14.21 N ATOM 1377 HD22 ASN A 193 45.530 -0.742 39.940 1.00 0.00 H ATOM 1378 HD21 ASN A 193 44.130 0.241 39.374 1.00 0.00 H ATOM 1379 H ASN A 193 47.358 0.781 39.032 1.00 0.00 H ATOM 1380 N ILE A 194 47.708 -2.099 42.367 1.00 9.95 N ATOM 1381 CA ILE A 194 47.299 -3.413 42.835 1.00 11.72 C ATOM 1382 C ILE A 194 46.842 -3.304 44.286 1.00 9.32 C ATOM 1383 O ILE A 194 47.027 -2.283 44.946 1.00 11.68 O ATOM 1384 CB ILE A 194 48.414 -4.469 42.686 1.00 12.59 C ATOM 1385 CG1 ILE A 194 49.672 -4.060 43.456 1.00 9.35 C ATOM 1386 CG2 ILE A 194 48.743 -4.689 41.224 1.00 11.66 C ATOM 1387 CD1 ILE A 194 50.750 -5.155 43.500 1.00 12.90 C ATOM 1388 H ILE A 194 48.458 -1.598 42.885 1.00 0.00 H ATOM 1389 N THR A 195 46.228 -4.381 44.769 1.00 12.04 N ATOM 1390 CA THR A 195 45.599 -4.429 46.082 1.00 8.96 C ATOM 1391 C THR A 195 45.952 -5.748 46.756 1.00 11.83 C ATOM 1392 O THR A 195 46.376 -6.700 46.104 1.00 11.39 O ATOM 1393 CB THR A 195 44.078 -4.272 45.980 1.00 15.36 C ATOM 1394 OG1 THR A 195 43.527 -5.392 45.263 1.00 17.65 O ATOM 1395 CG2 THR A 195 43.727 -2.978 45.253 1.00 9.38 C ATOM 1396 HG1 THR A 195 43.918 -5.425 44.354 1.00 0.00 H ATOM 1397 H THR A 195 46.195 -5.235 44.177 1.00 0.00 H ATOM 1398 N VAL A 196 45.784 -5.800 48.080 1.00 10.38 N ATOM 1399 CA VAL A 196 46.327 -6.903 48.874 1.00 10.89 C ATOM 1400 C VAL A 196 45.357 -7.255 49.996 1.00 13.71 C ATOM 1401 O VAL A 196 45.060 -6.413 50.848 1.00 14.81 O ATOM 1402 CB VAL A 196 47.704 -6.560 49.475 1.00 12.59 C ATOM 1403 CG1 VAL A 196 48.267 -7.760 50.222 1.00 14.22 C ATOM 1404 CG2 VAL A 196 48.682 -6.106 48.397 1.00 12.53 C ATOM 1405 H VAL A 196 45.256 -5.041 48.557 1.00 0.00 H ATOM 1406 N GLY A 197 44.895 -8.501 50.019 1.00 12.57 N ATOM 1407 CA GLY A 197 44.173 -9.013 51.162 1.00 11.29 C ATOM 1408 C GLY A 197 45.062 -9.866 52.038 1.00 15.84 C ATOM 1409 O GLY A 197 46.064 -10.417 51.588 1.00 14.80 O ATOM 1410 H GLY A 197 45.056 -9.120 49.199 1.00 0.00 H ATOM 1411 N ILE A 198 44.680 -9.985 53.308 1.00 14.19 N ATOM 1412 CA ILE A 198 45.450 -10.755 54.274 1.00 14.39 C ATOM 1413 C ILE A 198 44.609 -11.934 54.748 1.00 17.99 C ATOM 1414 O ILE A 198 43.635 -11.758 55.492 1.00 19.48 O ATOM 1415 CB ILE A 198 45.920 -9.888 55.447 1.00 12.30 C ATOM 1416 CG1 ILE A 198 46.650 -8.650 54.894 1.00 15.64 C ATOM 1417 CG2 ILE A 198 46.815 -10.694 56.365 1.00 14.85 C ATOM 1418 CD1 ILE A 198 46.941 -7.589 55.926 1.00 17.97 C ATOM 1419 H ILE A 198 43.806 -9.514 53.619 1.00 0.00 H ATOM 1420 N ASP A 199 44.999 -13.133 54.321 1.00 21.56 N ATOM 1421 CA ASP A 199 44.352 -14.368 54.743 1.00 24.32 C ATOM 1422 C ASP A 199 44.391 -14.521 56.262 1.00 23.56 C ATOM 1423 O ASP A 199 45.391 -14.202 56.914 1.00 18.43 O ATOM 1424 CB ASP A 199 45.050 -15.556 54.078 1.00 22.99 C ATOM 1425 CG ASP A 199 44.188 -16.801 54.042 1.00 38.84 C ATOM 1426 OD1 ASP A 199 43.044 -16.755 54.542 1.00 42.75 O ATOM 1427 OD2 ASP A 199 44.660 -17.832 53.509 1.00 44.84 O ATOM 1428 H ASP A 199 45.799 -13.190 53.659 1.00 0.00 H ATOM 1429 N GLY A 200 43.295 -15.025 56.826 1.00 21.11 N ATOM 1430 CA GLY A 200 43.199 -15.169 58.265 1.00 22.15 C ATOM 1431 C GLY A 200 42.797 -13.912 59.002 1.00 22.46 C ATOM 1432 O GLY A 200 42.816 -13.900 60.239 1.00 22.05 O ATOM 1433 H GLY A 200 42.498 -15.319 56.226 1.00 0.00 H ATOM 1434 N THR A 201 42.452 -12.850 58.279 1.00 18.63 N ATOM 1435 CA THR A 201 42.030 -11.587 58.867 1.00 16.85 C ATOM 1436 C THR A 201 40.834 -11.063 58.087 1.00 18.94 C ATOM 1437 O THR A 201 40.489 -11.567 57.018 1.00 20.94 O ATOM 1438 CB THR A 201 43.126 -10.521 58.816 1.00 15.15 C ATOM 1439 OG1 THR A 201 43.170 -9.998 57.483 1.00 17.68 O ATOM 1440 CG2 THR A 201 44.509 -11.082 59.223 1.00 15.03 C ATOM 1441 HG1 THR A 201 43.374 -10.730 56.849 1.00 0.00 H ATOM 1442 H THR A 201 42.485 -12.926 57.242 1.00 0.00 H ATOM 1443 N ASP A 202 40.228 -10.005 58.615 1.00 18.60 N ATOM 1444 CA ASP A 202 39.141 -9.313 57.942 1.00 18.61 C ATOM 1445 C ASP A 202 39.632 -8.150 57.092 1.00 14.97 C ATOM 1446 O ASP A 202 38.844 -7.254 56.778 1.00 16.83 O ATOM 1447 CB ASP A 202 38.130 -8.788 58.966 1.00 25.63 C ATOM 1448 CG ASP A 202 37.601 -9.871 59.885 1.00 33.23 C ATOM 1449 OD1 ASP A 202 37.131 -10.912 59.375 1.00 33.92 O ATOM 1450 OD2 ASP A 202 37.652 -9.669 61.121 1.00 35.84 O ATOM 1451 H ASP A 202 40.543 -9.659 59.544 1.00 0.00 H ATOM 1452 N ILE A 203 40.915 -8.129 56.741 1.00 14.48 N ATOM 1453 CA ILE A 203 41.586 -6.938 56.229 1.00 15.03 C ATOM 1454 C ILE A 203 41.810 -7.086 54.735 1.00 14.23 C ATOM 1455 O ILE A 203 42.339 -8.108 54.285 1.00 13.17 O ATOM 1456 CB ILE A 203 42.931 -6.700 56.940 1.00 16.65 C ATOM 1457 CG1 ILE A 203 42.718 -6.288 58.401 1.00 13.78 C ATOM 1458 CG2 ILE A 203 43.746 -5.643 56.188 1.00 14.74 C ATOM 1459 CD1 ILE A 203 43.961 -6.433 59.281 1.00 14.75 C ATOM 1460 H ILE A 203 41.468 -9.005 56.836 1.00 0.00 H ATOM 1461 N ALA A 204 41.424 -6.061 53.970 1.00 12.88 N ATOM 1462 CA ALA A 204 41.876 -5.905 52.594 1.00 15.08 C ATOM 1463 C ALA A 204 42.407 -4.492 52.393 1.00 13.31 C ATOM 1464 O ALA A 204 41.845 -3.526 52.918 1.00 12.54 O ATOM 1465 CB ALA A 204 40.762 -6.205 51.588 1.00 15.20 C ATOM 1466 H ALA A 204 40.779 -5.350 54.370 1.00 0.00 H ATOM 1467 N PHE A 205 43.486 -4.377 51.619 1.00 11.73 N ATOM 1468 CA PHE A 205 44.211 -3.121 51.429 1.00 10.49 C ATOM 1469 C PHE A 205 43.986 -2.582 50.022 1.00 9.66 C ATOM 1470 O PHE A 205 44.394 -3.211 49.042 1.00 12.11 O ATOM 1471 CB PHE A 205 45.703 -3.331 51.673 1.00 10.02 C ATOM 1472 CG PHE A 205 46.532 -2.077 51.546 1.00 11.72 C ATOM 1473 CD1 PHE A 205 46.363 -1.016 52.432 1.00 12.57 C ATOM 1474 CD2 PHE A 205 47.495 -1.967 50.551 1.00 11.05 C ATOM 1475 CE1 PHE A 205 47.130 0.125 52.317 1.00 14.03 C ATOM 1476 CE2 PHE A 205 48.268 -0.828 50.425 1.00 9.63 C ATOM 1477 CZ PHE A 205 48.090 0.227 51.311 1.00 9.49 C ATOM 1478 H PHE A 205 43.830 -5.225 51.124 1.00 0.00 H ATOM 1479 N GLY A 206 43.392 -1.395 49.928 1.00 11.46 N ATOM 1480 CA GLY A 206 43.146 -0.796 48.631 1.00 9.95 C ATOM 1481 C GLY A 206 44.211 0.149 48.128 1.00 13.25 C ATOM 1482 O GLY A 206 44.135 0.590 46.980 1.00 12.20 O ATOM 1483 H GLY A 206 43.102 -0.893 50.792 1.00 0.00 H ATOM 1484 N GLY A 207 45.193 0.492 48.961 1.00 13.31 N ATOM 1485 CA GLY A 207 46.222 1.425 48.532 1.00 12.18 C ATOM 1486 C GLY A 207 45.609 2.747 48.131 1.00 13.13 C ATOM 1487 O GLY A 207 44.653 3.228 48.748 1.00 12.88 O ATOM 1488 H GLY A 207 45.223 0.091 49.920 1.00 0.00 H ATOM 1489 N CYS A 208 46.135 3.342 47.069 1.00 11.58 N ATOM 1490 CA CYS A 208 45.593 4.635 46.677 1.00 16.03 C ATOM 1491 C CYS A 208 44.320 4.531 45.840 1.00 15.63 C ATOM 1492 O CYS A 208 43.739 5.570 45.500 1.00 16.35 O ATOM 1493 CB CYS A 208 46.644 5.445 45.930 1.00 18.06 C ATOM 1494 SG CYS A 208 48.096 5.893 46.929 1.00 14.08 S ATOM 1495 H CYS A 208 46.909 2.900 46.534 1.00 0.00 H ATOM 1496 N LEU A 209 43.860 3.320 45.520 1.00 14.95 N ATOM 1497 CA LEU A 209 42.639 3.180 44.727 1.00 16.18 C ATOM 1498 C LEU A 209 41.403 3.589 45.520 1.00 15.45 C ATOM 1499 O LEU A 209 40.486 4.214 44.975 1.00 19.99 O ATOM 1500 CB LEU A 209 42.497 1.737 44.247 1.00 16.14 C ATOM 1501 CG LEU A 209 41.190 1.351 43.553 1.00 15.98 C ATOM 1502 CD1 LEU A 209 41.143 1.992 42.178 1.00 16.53 C ATOM 1503 CD2 LEU A 209 41.100 -0.156 43.452 1.00 17.35 C ATOM 1504 H LEU A 209 44.372 2.472 45.836 1.00 0.00 H ATOM 1505 N ILE A 210 41.364 3.244 46.796 1.00 16.64 N ATOM 1506 CA ILE A 210 40.187 3.395 47.644 1.00 14.33 C ATOM 1507 C ILE A 210 40.356 4.621 48.530 1.00 18.75 C ATOM 1508 O ILE A 210 41.446 4.874 49.056 1.00 17.75 O ATOM 1509 CB ILE A 210 39.988 2.123 48.491 1.00 15.21 C ATOM 1510 CG1 ILE A 210 39.826 0.899 47.585 1.00 13.28 C ATOM 1511 CG2 ILE A 210 38.830 2.288 49.449 1.00 15.89 C ATOM 1512 CD1 ILE A 210 38.672 1.009 46.597 1.00 14.87 C ATOM 1513 H ILE A 210 42.224 2.841 47.220 1.00 0.00 H ATOM 1514 N LYS A 211 39.280 5.390 48.689 1.00 13.41 N ATOM 1515 CA LYS A 211 39.205 6.486 49.648 1.00 15.84 C ATOM 1516 C LYS A 211 38.147 6.164 50.693 1.00 17.08 C ATOM 1517 O LYS A 211 37.288 5.305 50.488 1.00 16.39 O ATOM 1518 CB LYS A 211 38.868 7.815 48.966 1.00 17.73 C ATOM 1519 CG LYS A 211 39.502 7.998 47.620 1.00 21.74 C ATOM 1520 CD LYS A 211 41.012 8.034 47.715 1.00 22.86 C ATOM 1521 CE LYS A 211 41.612 7.899 46.332 1.00 21.20 C ATOM 1522 NZ LYS A 211 43.060 8.196 46.351 1.00 18.42 N ATOM 1523 HZ1 LYS A 211 43.209 9.169 46.686 1.00 0.00 H ATOM 1524 HZ2 LYS A 211 43.541 7.531 46.990 1.00 0.00 H ATOM 1525 HZ3 LYS A 211 43.446 8.096 45.390 1.00 0.00 H ATOM 1526 H LYS A 211 38.447 5.198 48.096 1.00 0.00 H ATOM 1527 N ASP A 212 38.206 6.865 51.824 1.00 18.51 N ATOM 1528 CA ASP A 212 37.300 6.550 52.920 1.00 19.45 C ATOM 1529 C ASP A 212 35.871 6.974 52.592 1.00 17.87 C ATOM 1530 O ASP A 212 35.623 7.781 51.692 1.00 19.57 O ATOM 1531 CB ASP A 212 37.757 7.234 54.202 1.00 20.38 C ATOM 1532 CG ASP A 212 37.632 8.739 54.119 1.00 20.12 C ATOM 1533 OD1 ASP A 212 36.557 9.265 54.462 1.00 25.63 O ATOM 1534 OD2 ASP A 212 38.604 9.401 53.705 1.00 26.37 O ATOM 1535 H ASP A 212 38.897 7.635 51.924 1.00 0.00 H ATOM 1536 N SER A 213 34.922 6.437 53.374 1.00 18.01 N ATOM 1537 CA SER A 213 33.499 6.611 53.085 1.00 20.26 C ATOM 1538 C SER A 213 33.050 8.067 53.124 1.00 22.59 C ATOM 1539 O SER A 213 31.998 8.391 52.560 1.00 28.47 O ATOM 1540 CB SER A 213 32.661 5.792 54.067 1.00 22.21 C ATOM 1541 OG SER A 213 32.989 6.125 55.407 1.00 22.51 O ATOM 1542 HG SER A 213 33.947 5.935 55.568 1.00 0.00 H ATOM 1543 H SER A 213 35.206 5.883 54.207 1.00 0.00 H ATOM 1544 N LYS A 214 33.809 8.953 53.766 1.00 19.76 N ATOM 1545 CA LYS A 214 33.460 10.367 53.825 1.00 24.76 C ATOM 1546 C LYS A 214 34.355 11.237 52.951 1.00 22.00 C ATOM 1547 O LYS A 214 34.322 12.464 53.086 1.00 24.33 O ATOM 1548 CB LYS A 214 33.516 10.877 55.269 1.00 25.58 C ATOM 1549 CG LYS A 214 32.668 10.108 56.264 1.00 30.56 C ATOM 1550 CD LYS A 214 31.192 10.253 55.973 1.00 33.64 C ATOM 1551 CE LYS A 214 30.765 11.716 55.929 1.00 36.14 C ATOM 1552 NZ LYS A 214 30.337 12.228 57.260 1.00 38.57 N ATOM 1553 HZ1 LYS A 214 29.529 11.669 57.602 1.00 0.00 H ATOM 1554 HZ2 LYS A 214 31.126 12.145 57.932 1.00 0.00 H ATOM 1555 HZ3 LYS A 214 30.058 13.226 57.173 1.00 0.00 H ATOM 1556 H LYS A 214 34.676 8.627 54.239 1.00 0.00 H ATOM 1557 N ALA A 215 35.146 10.644 52.057 1.00 18.56 N ATOM 1558 CA ALA A 215 36.121 11.427 51.305 1.00 19.28 C ATOM 1559 C ALA A 215 35.434 12.427 50.381 1.00 25.34 C ATOM 1560 O ALA A 215 34.346 12.176 49.853 1.00 21.59 O ATOM 1561 CB ALA A 215 37.032 10.514 50.488 1.00 19.78 C ATOM 1562 H ALA A 215 35.068 9.620 51.895 1.00 0.00 H ATOM 1563 N LYS A 216 36.092 13.574 50.182 1.00 19.03 N ATOM 1564 CA LYS A 216 35.577 14.645 49.334 1.00 23.84 C ATOM 1565 C LYS A 216 36.182 14.652 47.939 1.00 29.86 C ATOM 1566 O LYS A 216 35.836 15.531 47.142 1.00 29.65 O ATOM 1567 CB LYS A 216 35.821 16.019 49.974 1.00 25.22 C ATOM 1568 CG LYS A 216 35.031 16.294 51.232 1.00 31.68 C ATOM 1569 CD LYS A 216 35.535 17.567 51.905 1.00 31.88 C ATOM 1570 CE LYS A 216 36.022 17.282 53.325 1.00 43.29 C ATOM 1571 NZ LYS A 216 37.095 16.239 53.366 1.00 35.11 N ATOM 1572 HZ1 LYS A 216 36.728 15.351 52.969 1.00 0.00 H ATOM 1573 HZ2 LYS A 216 37.910 16.560 52.806 1.00 0.00 H ATOM 1574 HZ3 LYS A 216 37.389 16.084 54.352 1.00 0.00 H ATOM 1575 H LYS A 216 37.010 13.709 50.652 1.00 0.00 H ATOM 1576 N SER A 217 37.099 13.739 47.632 1.00 28.82 N ATOM 1577 CA SER A 217 37.586 13.603 46.263 1.00 28.84 C ATOM 1578 C SER A 217 38.379 12.309 46.154 1.00 27.93 C ATOM 1579 O SER A 217 38.661 11.636 47.150 1.00 28.45 O ATOM 1580 CB SER A 217 38.439 14.800 45.823 1.00 31.13 C ATOM 1581 OG SER A 217 39.810 14.614 46.124 1.00 30.45 O ATOM 1582 HG SER A 217 40.323 15.406 45.825 1.00 0.00 H ATOM 1583 H SER A 217 37.473 13.115 48.375 1.00 0.00 H ATOM 1584 N LEU A 218 38.721 11.963 44.918 1.00 26.65 N ATOM 1585 CA LEU A 218 39.540 10.799 44.631 1.00 25.32 C ATOM 1586 C LEU A 218 41.032 11.123 44.649 1.00 26.03 C ATOM 1587 O LEU A 218 41.839 10.318 44.169 1.00 24.75 O ATOM 1588 CB LEU A 218 39.130 10.194 43.288 1.00 25.17 C ATOM 1589 CG LEU A 218 37.775 9.483 43.297 1.00 24.81 C ATOM 1590 CD1 LEU A 218 37.329 9.167 41.888 1.00 25.32 C ATOM 1591 CD2 LEU A 218 37.843 8.206 44.119 1.00 22.33 C ATOM 1592 H LEU A 218 38.389 12.549 44.125 1.00 0.00 H ATOM 1593 N GLY A 219 41.415 12.270 45.206 1.00 20.47 N ATOM 1594 CA GLY A 219 42.821 12.619 45.282 1.00 25.48 C ATOM 1595 C GLY A 219 43.356 13.071 43.935 1.00 25.97 C ATOM 1596 O GLY A 219 42.634 13.637 43.113 1.00 26.69 O ATOM 1597 H GLY A 219 40.700 12.921 45.590 1.00 0.00 H ATOM 1598 N ASN A 220 44.639 12.803 43.698 1.00 24.51 N ATOM 1599 CA ASN A 220 45.247 13.211 42.441 1.00 21.93 C ATOM 1600 C ASN A 220 44.865 12.243 41.334 1.00 28.21 C ATOM 1601 O ASN A 220 45.031 11.024 41.470 1.00 25.43 O ATOM 1602 CB ASN A 220 46.763 13.295 42.553 1.00 27.98 C ATOM 1603 CG ASN A 220 47.434 13.301 41.197 1.00 28.88 C ATOM 1604 OD1 ASN A 220 47.301 14.257 40.430 1.00 30.83 O ATOM 1605 ND2 ASN A 220 48.152 12.227 40.885 1.00 34.55 N ATOM 1606 HD22 ASN A 220 48.237 11.443 41.563 1.00 0.00 H ATOM 1607 HD21 ASN A 220 48.629 12.170 39.962 1.00 0.00 H ATOM 1608 H ASN A 220 45.206 12.302 44.412 1.00 0.00 H ATOM 1609 N LEU A 221 44.367 12.793 40.231 1.00 23.83 N ATOM 1610 CA LEU A 221 43.907 11.998 39.105 1.00 25.98 C ATOM 1611 C LEU A 221 44.806 12.158 37.887 1.00 20.74 C ATOM 1612 O LEU A 221 44.425 11.735 36.791 1.00 26.19 O ATOM 1613 CB LEU A 221 42.458 12.364 38.764 1.00 26.61 C ATOM 1614 CG LEU A 221 41.350 11.517 39.407 1.00 31.23 C ATOM 1615 CD1 LEU A 221 41.467 11.502 40.920 1.00 28.11 C ATOM 1616 CD2 LEU A 221 39.979 12.037 39.010 1.00 32.60 C ATOM 1617 H LEU A 221 44.304 13.829 40.172 1.00 0.00 H ATOM 1618 N GLY A 222 46.003 12.731 38.063 1.00 20.71 N ATOM 1619 CA GLY A 222 46.872 13.002 36.928 1.00 22.85 C ATOM 1620 C GLY A 222 47.298 11.755 36.180 1.00 22.38 C ATOM 1621 O GLY A 222 47.512 11.795 34.964 1.00 19.60 O ATOM 1622 H GLY A 222 46.315 12.985 39.022 1.00 0.00 H ATOM 1623 N ASP A 223 47.428 10.635 36.885 1.00 22.47 N ATOM 1624 CA ASP A 223 47.752 9.355 36.268 1.00 18.48 C ATOM 1625 C ASP A 223 46.558 8.411 36.248 1.00 18.76 C ATOM 1626 O ASP A 223 46.730 7.212 35.998 1.00 17.74 O ATOM 1627 CB ASP A 223 48.930 8.700 37.003 1.00 16.53 C ATOM 1628 CG ASP A 223 50.249 9.381 36.709 1.00 25.40 C ATOM 1629 OD1 ASP A 223 50.412 9.890 35.577 1.00 28.32 O ATOM 1630 OD2 ASP A 223 51.127 9.408 37.594 1.00 20.34 O ATOM 1631 H ASP A 223 47.293 10.674 37.916 1.00 0.00 H ATOM 1632 N ALA A 224 45.353 8.919 36.503 1.00 20.69 N ATOM 1633 CA ALA A 224 44.188 8.070 36.695 1.00 21.46 C ATOM 1634 C ALA A 224 43.574 7.630 35.367 1.00 25.07 C ATOM 1635 O ALA A 224 43.723 8.284 34.328 1.00 22.92 O ATOM 1636 CB ALA A 224 43.129 8.791 37.530 1.00 18.90 C ATOM 1637 H ALA A 224 45.242 9.951 36.566 1.00 0.00 H ATOM 1638 N ASP A 225 42.866 6.498 35.428 1.00 24.85 N ATOM 1639 CA ASP A 225 42.040 5.972 34.335 1.00 26.26 C ATOM 1640 C ASP A 225 40.588 6.280 34.683 1.00 23.98 C ATOM 1641 O ASP A 225 39.901 5.487 35.334 1.00 24.88 O ATOM 1642 CB ASP A 225 42.268 4.476 34.151 1.00 28.02 C ATOM 1643 CG ASP A 225 41.641 3.934 32.875 1.00 29.59 C ATOM 1644 OD1 ASP A 225 40.496 4.309 32.543 1.00 26.30 O ATOM 1645 OD2 ASP A 225 42.305 3.123 32.201 1.00 31.95 O ATOM 1646 H ASP A 225 42.903 5.952 36.312 1.00 0.00 H ATOM 1647 N THR A 226 40.115 7.442 34.227 1.00 26.09 N ATOM 1648 CA THR A 226 38.795 7.919 34.629 1.00 27.27 C ATOM 1649 C THR A 226 37.681 7.000 34.144 1.00 29.23 C ATOM 1650 O THR A 226 36.663 6.848 34.831 1.00 27.65 O ATOM 1651 CB THR A 226 38.575 9.342 34.110 1.00 31.74 C ATOM 1652 OG1 THR A 226 38.951 9.416 32.730 1.00 32.03 O ATOM 1653 CG2 THR A 226 39.413 10.337 34.910 1.00 32.81 C ATOM 1654 HG1 THR A 226 39.907 9.176 32.636 1.00 0.00 H ATOM 1655 H THR A 226 40.693 8.014 33.578 1.00 0.00 H ATOM 1656 N GLU A 227 37.851 6.374 32.976 1.00 27.96 N ATOM 1657 CA GLU A 227 36.789 5.526 32.438 1.00 30.58 C ATOM 1658 C GLU A 227 36.659 4.226 33.220 1.00 30.43 C ATOM 1659 O GLU A 227 35.549 3.709 33.401 1.00 30.72 O ATOM 1660 CB GLU A 227 37.044 5.244 30.954 1.00 33.36 C ATOM 1661 CG GLU A 227 36.096 4.240 30.290 1.00 36.02 C ATOM 1662 CD GLU A 227 34.620 4.547 30.515 1.00 42.39 C ATOM 1663 OE1 GLU A 227 33.830 3.583 30.622 1.00 44.51 O ATOM 1664 OE2 GLU A 227 34.247 5.741 30.580 1.00 41.91 O ATOM 1665 H GLU A 227 38.740 6.490 32.449 1.00 0.00 H ATOM 1666 N HIS A 228 37.774 3.683 33.702 1.00 26.46 N ATOM 1667 CA HIS A 228 37.763 2.365 34.322 1.00 27.09 C ATOM 1668 C HIS A 228 37.806 2.398 35.847 1.00 22.72 C ATOM 1669 O HIS A 228 37.669 1.340 36.470 1.00 23.66 O ATOM 1670 CB HIS A 228 38.927 1.531 33.781 1.00 32.66 C ATOM 1671 CG HIS A 228 38.844 1.278 32.308 1.00 33.04 C ATOM 1672 ND1 HIS A 228 39.505 2.054 31.379 1.00 32.13 N ATOM 1673 CD2 HIS A 228 38.164 0.342 31.602 1.00 35.36 C ATOM 1674 CE1 HIS A 228 39.247 1.599 30.165 1.00 32.68 C ATOM 1675 NE2 HIS A 228 38.432 0.564 30.272 1.00 30.71 N ATOM 1676 H HIS A 228 38.669 4.209 33.635 1.00 0.00 H ATOM 1677 N TYR A 229 37.952 3.578 36.458 1.00 20.17 N ATOM 1678 CA TYR A 229 38.124 3.660 37.910 1.00 18.34 C ATOM 1679 C TYR A 229 36.966 2.999 38.652 1.00 21.08 C ATOM 1680 O TYR A 229 37.181 2.204 39.575 1.00 20.07 O ATOM 1681 CB TYR A 229 38.277 5.124 38.330 1.00 19.77 C ATOM 1682 CG TYR A 229 38.980 5.382 39.663 1.00 16.45 C ATOM 1683 CD1 TYR A 229 38.597 4.724 40.824 1.00 19.70 C ATOM 1684 CD2 TYR A 229 39.996 6.323 39.760 1.00 22.87 C ATOM 1685 CE1 TYR A 229 39.226 4.978 42.037 1.00 18.62 C ATOM 1686 CE2 TYR A 229 40.628 6.587 40.968 1.00 19.16 C ATOM 1687 CZ TYR A 229 40.237 5.910 42.102 1.00 19.35 C ATOM 1688 OH TYR A 229 40.858 6.161 43.305 1.00 18.48 O ATOM 1689 HH TYR A 229 40.456 5.592 44.008 1.00 0.00 H ATOM 1690 H TYR A 229 37.943 4.451 35.893 1.00 0.00 H ATOM 1691 N ALA A 230 35.726 3.309 38.257 1.00 21.92 N ATOM 1692 CA ALA A 230 34.567 2.797 38.984 1.00 24.85 C ATOM 1693 C ALA A 230 34.536 1.272 38.986 1.00 24.25 C ATOM 1694 O ALA A 230 34.365 0.644 40.039 1.00 25.55 O ATOM 1695 CB ALA A 230 33.281 3.367 38.382 1.00 25.82 C ATOM 1696 H ALA A 230 35.586 3.919 37.426 1.00 0.00 H ATOM 1697 N ALA A 231 34.686 0.657 37.808 1.00 19.95 N ATOM 1698 CA ALA A 231 34.694 -0.799 37.727 1.00 25.35 C ATOM 1699 C ALA A 231 35.823 -1.389 38.559 1.00 22.71 C ATOM 1700 O ALA A 231 35.648 -2.419 39.223 1.00 20.54 O ATOM 1701 CB ALA A 231 34.813 -1.239 36.268 1.00 26.71 C ATOM 1702 H ALA A 231 34.798 1.222 36.942 1.00 0.00 H ATOM 1703 N SER A 232 36.981 -0.727 38.559 1.00 21.27 N ATOM 1704 CA SER A 232 38.131 -1.235 39.304 1.00 20.65 C ATOM 1705 C SER A 232 37.897 -1.184 40.806 1.00 17.96 C ATOM 1706 O SER A 232 38.262 -2.120 41.529 1.00 19.43 O ATOM 1707 CB SER A 232 39.375 -0.440 38.929 1.00 16.02 C ATOM 1708 OG SER A 232 39.562 -0.459 37.532 1.00 19.71 O ATOM 1709 HG SER A 232 40.373 0.061 37.302 1.00 0.00 H ATOM 1710 H SER A 232 37.066 0.160 38.023 1.00 0.00 H ATOM 1711 N ALA A 233 37.304 -0.098 41.301 1.00 17.71 N ATOM 1712 CA ALA A 233 36.954 -0.037 42.715 1.00 20.04 C ATOM 1713 C ALA A 233 36.012 -1.173 43.098 1.00 22.48 C ATOM 1714 O ALA A 233 36.220 -1.854 44.108 1.00 16.86 O ATOM 1715 CB ALA A 233 36.339 1.327 43.039 1.00 21.77 C ATOM 1716 H ALA A 233 37.091 0.707 40.678 1.00 0.00 H ATOM 1717 N ARG A 234 34.962 -1.400 42.297 1.00 23.73 N ATOM 1718 CA ARG A 234 34.032 -2.481 42.617 1.00 20.11 C ATOM 1719 C ARG A 234 34.669 -3.855 42.431 1.00 16.97 C ATOM 1720 O ARG A 234 34.315 -4.803 43.145 1.00 21.89 O ATOM 1721 CB ARG A 234 32.768 -2.350 41.768 1.00 21.42 C ATOM 1722 CG ARG A 234 32.085 -1.015 41.935 1.00 22.97 C ATOM 1723 CD ARG A 234 30.667 -1.019 41.386 1.00 27.63 C ATOM 1724 NE ARG A 234 29.917 0.129 41.888 1.00 25.28 N ATOM 1725 CZ ARG A 234 29.744 1.261 41.216 1.00 24.61 C ATOM 1726 NH1 ARG A 234 30.256 1.404 39.997 1.00 21.53 N ATOM 1727 NH2 ARG A 234 29.061 2.253 41.765 1.00 24.04 N ATOM 1728 HE ARG A 234 29.491 0.055 42.834 1.00 0.00 H ATOM 1729 HH12 ARG A 234 30.117 2.293 39.476 1.00 0.00 H ATOM 1730 HH11 ARG A 234 30.795 0.627 39.565 1.00 0.00 H ATOM 1731 HH22 ARG A 234 28.923 3.141 41.242 1.00 0.00 H ATOM 1732 HH21 ARG A 234 28.662 2.144 42.719 1.00 0.00 H ATOM 1733 H ARG A 234 34.810 -0.811 41.453 1.00 0.00 H ATOM 1734 N ALA A 235 35.612 -3.980 41.493 1.00 20.89 N ATOM 1735 CA ALA A 235 36.353 -5.228 41.335 1.00 18.67 C ATOM 1736 C ALA A 235 37.136 -5.563 42.594 1.00 19.22 C ATOM 1737 O ALA A 235 37.202 -6.727 42.998 1.00 19.16 O ATOM 1738 CB ALA A 235 37.290 -5.131 40.135 1.00 21.11 C ATOM 1739 H ALA A 235 35.821 -3.177 40.866 1.00 0.00 H ATOM 1740 N PHE A 236 37.741 -4.549 43.221 1.00 19.39 N ATOM 1741 CA PHE A 236 38.465 -4.754 44.474 1.00 19.33 C ATOM 1742 C PHE A 236 37.542 -5.280 45.568 1.00 14.32 C ATOM 1743 O PHE A 236 37.868 -6.254 46.261 1.00 17.68 O ATOM 1744 CB PHE A 236 39.128 -3.442 44.907 1.00 15.56 C ATOM 1745 CG PHE A 236 39.583 -3.443 46.339 1.00 14.35 C ATOM 1746 CD1 PHE A 236 40.725 -4.126 46.715 1.00 16.28 C ATOM 1747 CD2 PHE A 236 38.860 -2.762 47.319 1.00 13.85 C ATOM 1748 CE1 PHE A 236 41.149 -4.121 48.038 1.00 15.45 C ATOM 1749 CE2 PHE A 236 39.272 -2.773 48.645 1.00 13.06 C ATOM 1750 CZ PHE A 236 40.412 -3.448 49.003 1.00 16.37 C ATOM 1751 H PHE A 236 37.696 -3.595 42.809 1.00 0.00 H ATOM 1752 N GLY A 237 36.375 -4.652 45.733 1.00 18.88 N ATOM 1753 CA GLY A 237 35.424 -5.136 46.722 1.00 18.40 C ATOM 1754 C GLY A 237 34.972 -6.557 46.449 1.00 18.94 C ATOM 1755 O GLY A 237 34.862 -7.369 47.371 1.00 21.48 O ATOM 1756 H GLY A 237 36.146 -3.818 45.155 1.00 0.00 H ATOM 1757 N ALA A 238 34.736 -6.882 45.174 1.00 19.80 N ATOM 1758 CA ALA A 238 34.250 -8.206 44.801 1.00 22.74 C ATOM 1759 C ALA A 238 35.292 -9.285 45.052 1.00 18.61 C ATOM 1760 O ALA A 238 34.934 -10.424 45.380 1.00 20.93 O ATOM 1761 CB ALA A 238 33.833 -8.210 43.331 1.00 21.58 C ATOM 1762 H ALA A 238 34.903 -6.174 44.430 1.00 0.00 H ATOM 1763 N ALA A 239 36.583 -8.942 44.926 1.00 23.33 N ATOM 1764 CA ALA A 239 37.659 -9.907 45.127 1.00 17.50 C ATOM 1765 C ALA A 239 37.877 -10.230 46.598 1.00 18.99 C ATOM 1766 O ALA A 239 38.368 -11.319 46.921 1.00 19.78 O ATOM 1767 CB ALA A 239 38.957 -9.379 44.504 1.00 17.19 C ATOM 1768 H ALA A 239 36.824 -7.961 44.678 1.00 0.00 H ATOM 1769 N PHE A 240 37.526 -9.313 47.499 1.00 18.45 N ATOM 1770 CA PHE A 240 37.639 -9.526 48.945 1.00 17.39 C ATOM 1771 C PHE A 240 36.284 -9.270 49.600 1.00 23.46 C ATOM 1772 O PHE A 240 36.107 -8.301 50.348 1.00 18.65 O ATOM 1773 CB PHE A 240 38.722 -8.627 49.549 1.00 18.40 C ATOM 1774 CG PHE A 240 40.054 -8.715 48.846 1.00 17.62 C ATOM 1775 CD1 PHE A 240 40.918 -9.778 49.089 1.00 15.81 C ATOM 1776 CD2 PHE A 240 40.445 -7.729 47.946 1.00 16.33 C ATOM 1777 CE1 PHE A 240 42.151 -9.859 48.445 1.00 15.25 C ATOM 1778 CE2 PHE A 240 41.681 -7.791 47.306 1.00 13.76 C ATOM 1779 CZ PHE A 240 42.532 -8.863 47.552 1.00 14.41 C ATOM 1780 H PHE A 240 37.154 -8.403 47.160 1.00 0.00 H ATOM 1781 N PRO A 241 35.298 -10.139 49.346 1.00 22.14 N ATOM 1782 CA PRO A 241 33.939 -9.844 49.816 1.00 19.08 C ATOM 1783 C PRO A 241 33.736 -10.055 51.301 1.00 17.81 C ATOM 1784 O PRO A 241 32.777 -9.501 51.851 1.00 23.88 O ATOM 1785 CB PRO A 241 33.070 -10.806 48.993 1.00 24.21 C ATOM 1786 CG PRO A 241 33.956 -11.963 48.737 1.00 21.86 C ATOM 1787 CD PRO A 241 35.359 -11.402 48.591 1.00 21.68 C ATOM 1788 N LYS A 242 34.583 -10.832 51.968 1.00 20.71 N ATOM 1789 CA LYS A 242 34.462 -11.050 53.405 1.00 25.86 C ATOM 1790 C LYS A 242 35.235 -10.028 54.226 1.00 25.03 C ATOM 1791 O LYS A 242 35.173 -10.072 55.460 1.00 28.64 O ATOM 1792 CB LYS A 242 34.938 -12.455 53.779 1.00 28.87 C ATOM 1793 CG LYS A 242 34.088 -13.587 53.215 1.00 34.82 C ATOM 1794 CD LYS A 242 33.069 -14.081 54.238 1.00 38.86 C ATOM 1795 CE LYS A 242 33.738 -14.577 55.519 1.00 43.65 C ATOM 1796 NZ LYS A 242 34.880 -15.496 55.261 1.00 38.75 N ATOM 1797 HZ1 LYS A 242 34.542 -16.329 54.738 1.00 0.00 H ATOM 1798 HZ2 LYS A 242 35.601 -15.001 54.699 1.00 0.00 H ATOM 1799 HZ3 LYS A 242 35.292 -15.798 56.167 1.00 0.00 H ATOM 1800 H LYS A 242 35.355 -11.298 51.450 1.00 0.00 H ATOM 1801 N ALA A 243 35.960 -9.119 53.576 1.00 21.78 N ATOM 1802 CA ALA A 243 36.795 -8.155 54.283 1.00 16.99 C ATOM 1803 C ALA A 243 35.915 -7.054 54.862 1.00 18.52 C ATOM 1804 O ALA A 243 35.210 -6.356 54.124 1.00 20.43 O ATOM 1805 CB ALA A 243 37.851 -7.572 53.344 1.00 17.63 C ATOM 1806 H ALA A 243 35.930 -9.096 52.537 1.00 0.00 H ATOM 1807 N SER A 244 35.957 -6.901 56.179 1.00 17.97 N ATOM 1808 CA SER A 244 35.193 -5.864 56.857 1.00 19.88 C ATOM 1809 C SER A 244 36.030 -4.665 57.266 1.00 18.26 C ATOM 1810 O SER A 244 35.457 -3.653 57.688 1.00 20.78 O ATOM 1811 CB SER A 244 34.519 -6.434 58.105 1.00 21.40 C ATOM 1812 OG SER A 244 35.499 -6.941 58.993 1.00 19.84 O ATOM 1813 HG SER A 244 36.113 -6.210 59.257 1.00 0.00 H ATOM 1814 H SER A 244 36.553 -7.540 56.743 1.00 0.00 H ATOM 1815 N MET A 245 37.352 -4.764 57.203 1.00 19.05 N ATOM 1816 CA MET A 245 38.234 -3.651 57.518 1.00 16.42 C ATOM 1817 C MET A 245 39.009 -3.329 56.247 1.00 16.75 C ATOM 1818 O MET A 245 39.822 -4.136 55.785 1.00 14.89 O ATOM 1819 CB MET A 245 39.147 -3.990 58.695 1.00 16.76 C ATOM 1820 CG MET A 245 39.887 -2.795 59.288 1.00 18.66 C ATOM 1821 SD MET A 245 41.374 -3.221 60.233 1.00 18.62 S ATOM 1822 CE MET A 245 40.707 -3.487 61.877 1.00 31.62 C ATOM 1823 H MET A 245 37.773 -5.671 56.918 1.00 0.00 H ATOM 1824 N ILE A 246 38.717 -2.170 55.663 1.00 14.88 N ATOM 1825 CA ILE A 246 39.303 -1.726 54.405 1.00 12.25 C ATOM 1826 C ILE A 246 40.389 -0.712 54.741 1.00 12.77 C ATOM 1827 O ILE A 246 40.114 0.339 55.333 1.00 13.75 O ATOM 1828 CB ILE A 246 38.236 -1.126 53.471 1.00 14.73 C ATOM 1829 CG1 ILE A 246 37.099 -2.131 53.262 1.00 15.29 C ATOM 1830 CG2 ILE A 246 38.837 -0.707 52.135 1.00 13.03 C ATOM 1831 CD1 ILE A 246 37.582 -3.548 52.862 1.00 11.09 C ATOM 1832 H ILE A 246 38.031 -1.545 56.131 1.00 0.00 H ATOM 1833 N VAL A 247 41.623 -1.052 54.424 1.00 9.47 N ATOM 1834 CA VAL A 247 42.769 -0.186 54.687 1.00 11.55 C ATOM 1835 C VAL A 247 43.126 0.516 53.391 1.00 10.56 C ATOM 1836 O VAL A 247 42.965 -0.037 52.307 1.00 12.67 O ATOM 1837 CB VAL A 247 43.957 -0.998 55.248 1.00 11.39 C ATOM 1838 CG1 VAL A 247 45.149 -0.084 55.565 1.00 11.34 C ATOM 1839 CG2 VAL A 247 43.515 -1.772 56.502 1.00 12.24 C ATOM 1840 H VAL A 247 41.786 -1.973 53.969 1.00 0.00 H ATOM 1841 N MET A 248 43.616 1.749 53.485 1.00 11.73 N ATOM 1842 CA MET A 248 43.888 2.510 52.279 1.00 11.03 C ATOM 1843 C MET A 248 45.011 3.490 52.563 1.00 9.90 C ATOM 1844 O MET A 248 45.459 3.640 53.700 1.00 11.18 O ATOM 1845 CB MET A 248 42.644 3.242 51.803 1.00 12.89 C ATOM 1846 CG MET A 248 42.131 4.181 52.846 1.00 16.16 C ATOM 1847 SD MET A 248 40.369 4.481 52.637 1.00 18.44 S ATOM 1848 CE MET A 248 39.681 3.270 53.765 1.00 17.11 C ATOM 1849 H MET A 248 43.804 2.166 54.419 1.00 0.00 H ATOM 1850 N SER A 249 45.445 4.178 51.509 1.00 10.66 N ATOM 1851 CA SER A 249 46.711 4.901 51.576 1.00 10.37 C ATOM 1852 C SER A 249 46.602 6.173 52.404 1.00 10.79 C ATOM 1853 O SER A 249 47.546 6.531 53.116 1.00 11.41 O ATOM 1854 CB SER A 249 47.193 5.247 50.173 1.00 12.81 C ATOM 1855 OG SER A 249 47.820 4.143 49.559 1.00 13.38 O ATOM 1856 HG SER A 249 48.121 4.399 48.651 1.00 0.00 H ATOM 1857 H SER A 249 44.880 4.200 50.636 1.00 0.00 H ATOM 1858 N HIS A 250 45.477 6.880 52.315 1.00 13.26 N ATOM 1859 CA HIS A 250 45.442 8.251 52.815 1.00 11.80 C ATOM 1860 C HIS A 250 44.281 8.526 53.766 1.00 17.70 C ATOM 1861 O HIS A 250 43.924 9.693 53.969 1.00 17.30 O ATOM 1862 CB HIS A 250 45.421 9.221 51.635 1.00 13.23 C ATOM 1863 CG HIS A 250 46.588 9.048 50.710 1.00 13.40 C ATOM 1864 ND1 HIS A 250 47.892 9.242 51.115 1.00 10.45 N ATOM 1865 CD2 HIS A 250 46.651 8.646 49.418 1.00 15.24 C ATOM 1866 CE1 HIS A 250 48.708 9.003 50.102 1.00 13.19 C ATOM 1867 NE2 HIS A 250 47.980 8.637 49.061 1.00 11.78 N ATOM 1868 H HIS A 250 44.627 6.457 51.891 1.00 0.00 H ATOM 1869 N SER A 251 43.692 7.485 54.356 1.00 16.40 N ATOM 1870 CA SER A 251 42.731 7.636 55.439 1.00 15.91 C ATOM 1871 C SER A 251 42.900 6.460 56.391 1.00 14.25 C ATOM 1872 O SER A 251 43.518 5.449 56.051 1.00 14.42 O ATOM 1873 CB SER A 251 41.286 7.715 54.926 1.00 20.25 C ATOM 1874 OG SER A 251 41.105 8.855 54.107 1.00 21.70 O ATOM 1875 HG SER A 251 40.168 8.886 53.788 1.00 0.00 H ATOM 1876 H SER A 251 43.929 6.527 54.029 1.00 0.00 H ATOM 1877 N ALA A 252 42.357 6.610 57.597 1.00 15.87 N ATOM 1878 CA ALA A 252 42.344 5.525 58.566 1.00 14.42 C ATOM 1879 C ALA A 252 41.472 4.378 58.050 1.00 15.00 C ATOM 1880 O ALA A 252 40.674 4.564 57.133 1.00 16.41 O ATOM 1881 CB ALA A 252 41.823 6.018 59.915 1.00 19.37 C ATOM 1882 H ALA A 252 41.932 7.524 57.853 1.00 0.00 H ATOM 1883 N PRO A 253 41.625 3.175 58.608 1.00 12.47 N ATOM 1884 CA PRO A 253 40.789 2.048 58.161 1.00 13.24 C ATOM 1885 C PRO A 253 39.301 2.338 58.334 1.00 15.38 C ATOM 1886 O PRO A 253 38.888 3.051 59.250 1.00 16.24 O ATOM 1887 CB PRO A 253 41.240 0.894 59.066 1.00 17.21 C ATOM 1888 CG PRO A 253 42.662 1.239 59.449 1.00 12.05 C ATOM 1889 CD PRO A 253 42.697 2.753 59.531 1.00 12.93 C ATOM 1890 N ASP A 254 38.490 1.754 57.447 1.00 15.16 N ATOM 1891 CA ASP A 254 37.072 2.079 57.353 1.00 18.70 C ATOM 1892 C ASP A 254 36.287 0.813 57.040 1.00 18.10 C ATOM 1893 O ASP A 254 36.853 -0.258 56.807 1.00 16.94 O ATOM 1894 CB ASP A 254 36.825 3.157 56.281 1.00 14.89 C ATOM 1895 CG ASP A 254 35.517 3.916 56.481 1.00 17.78 C ATOM 1896 OD1 ASP A 254 34.809 3.662 57.479 1.00 15.85 O ATOM 1897 OD2 ASP A 254 35.202 4.768 55.622 1.00 19.02 O ATOM 1898 H ASP A 254 38.885 1.042 56.800 1.00 0.00 H ATOM 1899 N SER A 255 34.963 0.944 57.055 1.00 15.39 N ATOM 1900 CA SER A 255 34.074 -0.131 56.645 1.00 17.29 C ATOM 1901 C SER A 255 34.077 -0.264 55.122 1.00 17.49 C ATOM 1902 O SER A 255 34.710 0.516 54.398 1.00 15.92 O ATOM 1903 CB SER A 255 32.657 0.141 57.140 1.00 15.54 C ATOM 1904 OG SER A 255 32.035 1.087 56.285 1.00 17.46 O ATOM 1905 HG SER A 255 31.115 1.265 56.605 1.00 0.00 H ATOM 1906 H SER A 255 34.550 1.845 57.370 1.00 0.00 H ATOM 1907 N ARG A 256 33.330 -1.258 54.627 1.00 17.45 N ATOM 1908 CA ARG A 256 33.169 -1.432 53.186 1.00 14.43 C ATOM 1909 C ARG A 256 32.466 -0.254 52.524 1.00 15.39 C ATOM 1910 O ARG A 256 32.444 -0.181 51.287 1.00 13.86 O ATOM 1911 CB ARG A 256 32.393 -2.715 52.884 1.00 17.86 C ATOM 1912 CG ARG A 256 33.095 -3.974 53.335 1.00 15.45 C ATOM 1913 CD ARG A 256 32.332 -5.207 52.917 1.00 16.76 C ATOM 1914 NE ARG A 256 32.334 -5.406 51.469 1.00 16.35 N ATOM 1915 CZ ARG A 256 33.341 -5.952 50.792 1.00 22.84 C ATOM 1916 NH1 ARG A 256 34.442 -6.340 51.433 1.00 18.11 N ATOM 1917 NH2 ARG A 256 33.247 -6.109 49.474 1.00 22.43 N ATOM 1918 HE ARG A 256 31.496 -5.102 50.934 1.00 0.00 H ATOM 1919 HH12 ARG A 256 35.229 -6.767 50.904 1.00 0.00 H ATOM 1920 HH11 ARG A 256 34.515 -6.216 52.463 1.00 0.00 H ATOM 1921 HH22 ARG A 256 34.033 -6.536 48.944 1.00 0.00 H ATOM 1922 HH21 ARG A 256 32.387 -5.805 48.974 1.00 0.00 H ATOM 1923 H ARG A 256 32.857 -1.916 55.278 1.00 0.00 H ATOM 1924 N ALA A 257 31.876 0.658 53.302 1.00 14.63 N ATOM 1925 CA ALA A 257 31.339 1.877 52.712 1.00 18.31 C ATOM 1926 C ALA A 257 32.420 2.669 51.993 1.00 19.22 C ATOM 1927 O ALA A 257 32.105 3.482 51.118 1.00 17.42 O ATOM 1928 CB ALA A 257 30.674 2.740 53.787 1.00 21.22 C ATOM 1929 H ALA A 257 31.800 0.498 54.327 1.00 0.00 H ATOM 1930 N ALA A 258 33.692 2.446 52.342 1.00 16.62 N ATOM 1931 CA ALA A 258 34.776 3.061 51.588 1.00 16.65 C ATOM 1932 C ALA A 258 34.729 2.630 50.128 1.00 16.48 C ATOM 1933 O ALA A 258 34.906 3.450 49.223 1.00 15.57 O ATOM 1934 CB ALA A 258 36.123 2.701 52.217 1.00 15.95 C ATOM 1935 H ALA A 258 33.907 1.832 53.153 1.00 0.00 H ATOM 1936 N ILE A 259 34.465 1.349 49.881 1.00 17.98 N ATOM 1937 CA ILE A 259 34.431 0.849 48.510 1.00 18.38 C ATOM 1938 C ILE A 259 33.242 1.434 47.761 1.00 19.83 C ATOM 1939 O ILE A 259 33.390 1.959 46.653 1.00 18.75 O ATOM 1940 CB ILE A 259 34.405 -0.689 48.504 1.00 20.65 C ATOM 1941 CG1 ILE A 259 35.586 -1.249 49.299 1.00 12.70 C ATOM 1942 CG2 ILE A 259 34.370 -1.235 47.077 1.00 20.84 C ATOM 1943 CD1 ILE A 259 35.436 -2.704 49.607 1.00 14.82 C ATOM 1944 H ILE A 259 34.281 0.699 50.672 1.00 0.00 H ATOM 1945 N THR A 260 32.041 1.345 48.344 1.00 17.58 N ATOM 1946 CA THR A 260 30.867 1.844 47.636 1.00 19.36 C ATOM 1947 C THR A 260 30.985 3.341 47.367 1.00 17.11 C ATOM 1948 O THR A 260 30.653 3.807 46.273 1.00 19.50 O ATOM 1949 CB THR A 260 29.587 1.517 48.416 1.00 18.22 C ATOM 1950 OG1 THR A 260 29.698 1.982 49.767 1.00 20.74 O ATOM 1951 CG2 THR A 260 29.357 0.006 48.425 1.00 16.53 C ATOM 1952 HG1 THR A 260 29.837 2.962 49.767 1.00 0.00 H ATOM 1953 H THR A 260 31.945 0.925 49.291 1.00 0.00 H ATOM 1954 N HIS A 261 31.496 4.102 48.339 1.00 15.82 N ATOM 1955 CA HIS A 261 31.595 5.552 48.172 1.00 16.22 C ATOM 1956 C HIS A 261 32.672 5.921 47.154 1.00 20.93 C ATOM 1957 O HIS A 261 32.478 6.832 46.342 1.00 20.05 O ATOM 1958 CB HIS A 261 31.873 6.218 49.520 1.00 16.66 C ATOM 1959 CG HIS A 261 32.139 7.689 49.433 1.00 19.37 C ATOM 1960 ND1 HIS A 261 31.163 8.605 49.107 1.00 21.39 N ATOM 1961 CD2 HIS A 261 33.269 8.405 49.643 1.00 20.76 C ATOM 1962 CE1 HIS A 261 31.679 9.821 49.119 1.00 23.23 C ATOM 1963 NE2 HIS A 261 32.957 9.727 49.441 1.00 25.93 N ATOM 1964 H HIS A 261 31.826 3.660 49.221 1.00 0.00 H ATOM 1965 N THR A 262 33.817 5.237 47.184 1.00 18.57 N ATOM 1966 CA THR A 262 34.830 5.482 46.162 1.00 18.13 C ATOM 1967 C THR A 262 34.275 5.194 44.773 1.00 18.77 C ATOM 1968 O THR A 262 34.454 5.988 43.844 1.00 20.46 O ATOM 1969 CB THR A 262 36.082 4.634 46.416 1.00 20.92 C ATOM 1970 OG1 THR A 262 36.727 5.060 47.626 1.00 19.23 O ATOM 1971 CG2 THR A 262 37.060 4.778 45.250 1.00 15.39 C ATOM 1972 HG1 THR A 262 36.102 4.955 48.386 1.00 0.00 H ATOM 1973 H THR A 262 33.987 4.534 47.931 1.00 0.00 H ATOM 1974 N ALA A 263 33.606 4.049 44.610 1.00 19.54 N ATOM 1975 CA ALA A 263 33.053 3.707 43.305 1.00 21.84 C ATOM 1976 C ALA A 263 31.991 4.712 42.878 1.00 21.13 C ATOM 1977 O ALA A 263 31.956 5.125 41.715 1.00 22.20 O ATOM 1978 CB ALA A 263 32.485 2.291 43.323 1.00 21.68 C ATOM 1979 H ALA A 263 33.480 3.402 45.414 1.00 0.00 H ATOM 1980 N ARG A 264 31.135 5.145 43.811 1.00 19.46 N ATOM 1981 CA ARG A 264 30.099 6.105 43.440 1.00 23.37 C ATOM 1982 C ARG A 264 30.695 7.450 43.038 1.00 23.46 C ATOM 1983 O ARG A 264 30.155 8.119 42.150 1.00 23.79 O ATOM 1984 CB ARG A 264 29.093 6.280 44.579 1.00 26.01 C ATOM 1985 CG ARG A 264 27.735 6.831 44.123 1.00 28.17 C ATOM 1986 CD ARG A 264 26.924 5.789 43.341 1.00 24.05 C ATOM 1987 NE ARG A 264 25.622 6.313 42.928 1.00 29.91 N ATOM 1988 CZ ARG A 264 25.197 6.355 41.667 1.00 32.62 C ATOM 1989 NH1 ARG A 264 25.972 5.896 40.693 1.00 29.69 N ATOM 1990 NH2 ARG A 264 23.998 6.851 41.378 1.00 25.94 N ATOM 1991 HE ARG A 264 24.987 6.676 43.667 1.00 0.00 H ATOM 1992 HH12 ARG A 264 25.642 5.928 39.707 1.00 0.00 H ATOM 1993 HH11 ARG A 264 26.909 5.504 40.915 1.00 0.00 H ATOM 1994 HH22 ARG A 264 23.672 6.881 40.391 1.00 0.00 H ATOM 1995 HH21 ARG A 264 23.386 7.209 42.139 1.00 0.00 H ATOM 1996 H ARG A 264 31.207 4.801 44.790 1.00 0.00 H ATOM 1997 N MET A 265 31.797 7.869 43.671 1.00 20.38 N ATOM 1998 CA MET A 265 32.477 9.083 43.217 1.00 22.49 C ATOM 1999 C MET A 265 33.104 8.875 41.846 1.00 27.89 C ATOM 2000 O MET A 265 33.112 9.790 41.012 1.00 23.61 O ATOM 2001 CB MET A 265 33.547 9.509 44.220 1.00 21.33 C ATOM 2002 CG MET A 265 33.022 10.146 45.480 1.00 23.63 C ATOM 2003 SD MET A 265 34.325 11.016 46.369 1.00 30.27 S ATOM 2004 CE MET A 265 35.459 9.679 46.699 1.00 18.13 C ATOM 2005 H MET A 265 32.169 7.334 44.482 1.00 0.00 H ATOM 2006 N ALA A 266 33.638 7.677 41.595 1.00 23.76 N ATOM 2007 CA ALA A 266 34.284 7.423 40.315 1.00 23.95 C ATOM 2008 C ALA A 266 33.269 7.325 39.185 1.00 27.31 C ATOM 2009 O ALA A 266 33.604 7.628 38.035 1.00 29.40 O ATOM 2010 CB ALA A 266 35.129 6.151 40.393 1.00 24.50 C ATOM 2011 H ALA A 266 33.593 6.926 42.313 1.00 0.00 H ATOM 2012 N ASP A 267 32.034 6.904 39.494 1.00 23.56 N ATOM 2013 CA ASP A 267 30.963 6.902 38.498 1.00 24.55 C ATOM 2014 C ASP A 267 30.866 8.249 37.793 1.00 31.00 C ATOM 2015 O ASP A 267 30.561 8.312 36.598 1.00 33.58 O ATOM 2016 CB ASP A 267 29.620 6.570 39.158 1.00 22.25 C ATOM 2017 CG ASP A 267 29.438 5.091 39.446 1.00 24.54 C ATOM 2018 OD1 ASP A 267 30.154 4.242 38.867 1.00 23.12 O ATOM 2019 OD2 ASP A 267 28.535 4.775 40.254 1.00 26.52 O ATOM 2020 H ASP A 267 31.834 6.573 40.459 1.00 0.00 H ATOM 2021 N LYS A 268 31.127 9.341 38.523 1.00 30.36 N ATOM 2022 CA LYS A 268 31.065 10.700 37.976 1.00 33.20 C ATOM 2023 C LYS A 268 32.253 11.040 37.088 1.00 37.58 C ATOM 2024 O LYS A 268 32.437 12.221 36.757 1.00 39.29 O ATOM 2025 CB LYS A 268 30.962 11.724 39.110 1.00 32.79 C ATOM 2026 CG LYS A 268 29.855 11.445 40.128 1.00 30.70 C ATOM 2027 CD LYS A 268 30.194 12.092 41.461 1.00 36.52 C ATOM 2028 CE LYS A 268 29.250 11.667 42.579 1.00 37.06 C ATOM 2029 NZ LYS A 268 29.722 12.156 43.915 1.00 30.00 N ATOM 2030 HZ1 LYS A 268 30.664 11.764 44.113 1.00 0.00 H ATOM 2031 HZ2 LYS A 268 29.773 13.195 43.904 1.00 0.00 H ATOM 2032 HZ3 LYS A 268 29.055 11.848 44.651 1.00 0.00 H ATOM 2033 H LYS A 268 31.385 9.220 39.523 1.00 0.00 H ATOM 2034 N LEU A 269 33.064 10.078 36.730 1.00 34.44 N ATOM 2035 CA LEU A 269 34.197 10.422 35.845 1.00 33.17 C ATOM 2036 C LEU A 269 34.003 9.860 34.432 1.00 34.76 C ATOM 2037 O LEU A 269 34.806 10.098 33.525 1.00 36.92 O ATOM 2038 CB LEU A 269 35.512 9.886 36.457 1.00 35.31 C ATOM 2039 CG LEU A 269 36.100 10.240 37.827 1.00 28.02 C ATOM 2040 CD1 LEU A 269 37.201 9.245 38.194 1.00 32.56 C ATOM 2041 CD2 LEU A 269 36.725 11.601 37.837 1.00 36.08 C ATOM 2042 H LEU A 269 32.916 9.102 37.058 1.00 0.00 H ATOM 2043 N ARG A 270 32.991 9.040 34.268 1.00 33.24 N ATOM 2044 CA ARG A 270 32.653 8.395 33.033 1.00 34.80 C ATOM 2045 C ARG A 270 31.853 9.337 32.070 1.00 38.80 C ATOM 2046 O ARG A 270 31.662 10.511 32.332 1.00 35.32 O ATOM 2047 CB ARG A 270 31.890 7.078 33.296 1.00 41.02 C ATOM 2048 CG ARG A 270 32.406 6.194 34.437 1.00 35.78 C ATOM 2049 CD ARG A 270 32.018 4.744 34.326 1.00 33.32 C ATOM 2050 NE ARG A 270 30.833 4.450 35.129 1.00 36.46 N ATOM 2051 CZ ARG A 270 30.602 3.325 35.804 1.00 35.98 C ATOM 2052 NH1 ARG A 270 29.453 3.223 36.422 1.00 40.88 N ATOM 2053 NH2 ARG A 270 31.459 2.272 35.757 1.00 34.29 N ATOM 2054 HE ARG A 270 30.102 5.188 35.178 1.00 0.00 H ATOM 2055 HH12 ARG A 270 29.228 2.363 36.962 1.00 0.00 H ATOM 2056 HH11 ARG A 270 28.765 4.002 36.373 1.00 0.00 H ATOM 2057 HH22 ARG A 270 31.250 1.407 36.296 1.00 0.00 H ATOM 2058 HH21 ARG A 270 32.324 2.331 35.182 1.00 0.00 H ATOM 2059 H ARG A 270 32.391 8.844 35.094 1.00 0.00 H TER 2060 ARG A 270 HETATM 2061 ZN ZN A 1 49.667 7.138 43.530 1.00 15.95 ZN HETATM 2062 ZN ZN A 2 48.655 8.097 47.186 1.00 15.11 ZN HETATM 2063 O HOH 3 56.033 7.090 32.984 1.00 26.72 O HETATM 2064 O HOH 4 66.987 -1.942 61.927 1.00 20.40 O HETATM 2065 O HOH 5 63.210 8.067 47.237 1.00 22.98 O HETATM 2066 O HOH 6 66.799 4.736 61.196 1.00 30.33 O HETATM 2067 O HOH 7 68.371 -8.089 66.074 1.00 31.94 O HETATM 2068 O HOH 8 61.140 -7.350 36.499 1.00 20.97 O HETATM 2069 O HOH 9 52.624 9.338 34.678 1.00 34.48 O HETATM 2070 O HOH 10 32.350 3.686 57.480 1.00 27.93 O HETATM 2071 O HOH 11 58.718 -16.821 39.881 1.00 19.21 O HETATM 2072 O HOH 12 22.563 6.362 39.399 1.00 25.83 O HETATM 2073 O HOH 13 43.151 8.508 43.058 1.00 26.34 O HETATM 2074 O HOH 14 67.187 -7.054 48.153 1.00 18.65 O HETATM 2075 O HOH 15 65.522 -10.360 45.635 1.00 22.64 O HETATM 2076 O HOH 16 35.166 5.680 36.463 1.00 22.72 O HETATM 2077 O HOH 17 66.117 6.783 46.987 1.00 21.48 O HETATM 2078 O HOH 18 47.198 16.520 57.159 1.00 19.82 O HETATM 2079 O HOH 19 59.614 11.639 58.754 1.00 19.80 O HETATM 2080 O HOH 20 56.151 9.240 40.266 1.00 19.47 O HETATM 2081 O HOH 21 44.428 -8.868 35.237 1.00 29.59 O HETATM 2082 O HOH 22 48.739 -0.352 68.172 1.00 15.21 O HETATM 2083 O HOH 23 60.878 0.666 31.955 1.00 21.37 O HETATM 2084 O HOH 24 39.729 3.354 61.671 1.00 20.32 O HETATM 2085 O HOH 25 65.119 -10.641 54.102 1.00 11.56 O HETATM 2086 O HOH 26 63.294 7.153 44.021 1.00 19.70 O HETATM 2087 O HOH 27 44.041 15.391 40.071 1.00 27.30 O HETATM 2088 O HOH 28 48.535 8.723 62.261 1.00 26.02 O HETATM 2089 O HOH 29 68.356 -0.472 45.114 1.00 15.59 O HETATM 2090 O HOH 30 62.600 -5.471 38.145 1.00 23.09 O HETATM 2091 O HOH 31 62.493 11.547 55.208 1.00 13.00 O HETATM 2092 O HOH 32 46.081 0.185 44.891 1.00 11.17 O HETATM 2093 O HOH 33 52.775 -2.875 42.075 1.00 9.05 O HETATM 2094 O HOH 34 38.591 13.991 50.969 1.00 22.18 O HETATM 2095 O HOH 35 34.928 3.170 60.084 1.00 30.27 O HETATM 2096 O HOH 36 61.322 -14.436 43.782 1.00 15.71 O HETATM 2097 O HOH 37 58.114 -12.409 40.705 1.00 14.38 O HETATM 2098 O HOH 38 46.553 9.428 39.695 1.00 19.35 O HETATM 2099 O HOH 39 53.574 10.717 37.697 1.00 19.77 O HETATM 2100 O HOH 40 52.963 4.383 52.307 1.00 10.30 O HETATM 2101 O HOH 41 56.563 3.688 70.548 1.00 26.38 O HETATM 2102 O HOH 42 57.588 21.825 53.322 1.00 23.47 O HETATM 2103 O HOH 43 65.046 -6.285 68.947 1.00 26.56 O HETATM 2104 O HOH 44 33.882 -4.366 38.668 1.00 23.56 O HETATM 2105 O HOH 45 61.286 9.957 48.185 1.00 19.79 O HETATM 2106 O HOH 46 66.076 -9.245 40.809 1.00 29.36 O HETATM 2107 O HOH 47 63.475 -7.426 62.212 1.00 12.44 O HETATM 2108 O HOH 48 57.011 7.002 71.258 1.00 23.46 O HETATM 2109 O HOH 49 48.889 -14.379 66.632 1.00 26.28 O HETATM 2110 O HOH 50 56.573 -18.349 59.088 1.00 9.66 O HETATM 2111 O HOH 51 68.943 -10.965 52.328 1.00 21.77 O HETATM 2112 O HOH 52 67.313 0.174 55.342 1.00 13.97 O HETATM 2113 O HOH 53 50.009 8.014 45.231 1.00 15.60 O HETATM 2114 O HOH 54 65.366 -1.342 66.484 1.00 27.80 O HETATM 2115 O HOH 55 49.293 -13.468 46.448 1.00 19.28 O HETATM 2116 O HOH 56 59.711 -14.557 48.095 1.00 15.61 O HETATM 2117 O HOH 57 36.320 -5.248 60.950 1.00 28.88 O HETATM 2118 O HOH 58 65.366 -8.759 63.408 1.00 28.28 O HETATM 2119 O HOH 59 62.501 4.647 44.904 1.00 11.74 O HETATM 2120 O HOH 60 56.974 10.380 58.793 1.00 14.58 O HETATM 2121 O HOH 61 43.726 2.735 56.201 1.00 11.42 O HETATM 2122 O HOH 62 28.840 4.408 50.676 1.00 26.97 O HETATM 2123 O HOH 63 38.184 -4.665 36.573 1.00 28.70 O HETATM 2124 O HOH 64 64.366 -11.202 51.499 1.00 14.18 O HETATM 2125 O HOH 65 39.431 -13.140 48.658 1.00 26.45 O HETATM 2126 O HOH 66 60.099 3.964 33.120 1.00 21.80 O HETATM 2127 O HOH 67 49.275 3.811 61.421 1.00 10.03 O HETATM 2128 O HOH 68 52.184 18.002 51.668 1.00 15.50 O HETATM 2129 O HOH 69 37.362 5.329 59.384 1.00 26.72 O HETATM 2130 O HOH 70 39.750 6.641 31.010 1.00 33.45 O HETATM 2131 O HOH 71 50.006 -13.494 59.208 1.00 21.02 O HETATM 2132 O HOH 72 53.913 4.819 55.066 1.00 9.84 O HETATM 2133 O HOH 73 50.812 -6.255 34.617 1.00 24.31 O HETATM 2134 O HOH 74 55.322 9.662 65.328 1.00 10.33 O HETATM 2135 O HOH 75 51.770 -17.378 45.586 1.00 25.72 O HETATM 2136 O HOH 76 66.316 6.336 59.076 1.00 19.34 O HETATM 2137 O HOH 77 32.114 14.134 34.784 1.00 33.04 O HETATM 2138 O HOH 78 37.163 -11.642 51.376 1.00 23.83 O HETATM 2139 O HOH 79 60.473 -10.911 37.920 1.00 17.13 O HETATM 2140 O HOH 80 63.941 -5.156 60.633 1.00 11.39 O HETATM 2141 O HOH 81 52.624 -10.530 66.380 1.00 18.24 O HETATM 2142 O HOH 82 68.837 -5.890 57.113 1.00 17.66 O HETATM 2143 O HOH 83 61.367 -16.911 47.446 1.00 21.29 O HETATM 2144 O HOH 84 66.799 -8.793 55.385 1.00 15.00 O HETATM 2145 O HOH 85 58.669 14.340 55.971 1.00 16.57 O HETATM 2146 O HOH 86 48.214 1.713 45.745 1.00 10.94 O HETATM 2147 O HOH 87 54.475 -1.673 71.834 1.00 24.62 O HETATM 2148 O HOH 88 64.566 4.485 47.061 1.00 12.24 O HETATM 2149 O HOH 89 62.657 -1.320 35.501 1.00 17.28 O HETATM 2150 O HOH 90 31.110 -0.053 37.765 1.00 23.28 O HETATM 2151 O HOH 91 68.302 6.095 54.222 1.00 31.50 O HETATM 2152 O HOH 92 62.672 -16.792 62.211 1.00 23.86 O HETATM 2153 O HOH 93 65.935 -2.696 41.142 1.00 21.27 O HETATM 2154 O HOH 94 41.328 8.553 51.312 1.00 20.39 O HETATM 2155 O HOH 95 53.770 -18.890 51.294 1.00 21.09 O HETATM 2156 O HOH 96 46.550 7.343 58.532 1.00 14.37 O HETATM 2157 O HOH 97 52.149 9.680 44.865 1.00 30.83 O HETATM 2158 O HOH 98 47.675 5.623 62.656 1.00 14.59 O HETATM 2159 O HOH 99 28.768 2.383 44.582 1.00 21.35 O HETATM 2160 O HOH 100 41.310 -7.342 62.786 1.00 24.47 O HETATM 2161 O HOH 101 45.055 11.162 56.126 1.00 22.41 O HETATM 2162 O HOH 102 69.386 5.851 48.476 1.00 24.41 O HETATM 2163 O HOH 103 69.717 -6.020 47.852 1.00 25.98 O HETATM 2164 O HOH 104 65.379 0.652 39.030 1.00 21.44 O HETATM 2165 O HOH 105 41.357 -3.696 64.960 1.00 31.82 O HETATM 2166 O HOH 106 40.557 15.608 43.400 1.00 34.51 O HETATM 2167 O HOH 107 46.045 -16.335 38.982 1.00 28.48 O HETATM 2168 O HOH 108 29.368 0.057 55.917 1.00 21.32 O HETATM 2169 O HOH 109 55.035 10.094 42.797 1.00 16.79 O HETATM 2170 O HOH 110 70.281 9.326 55.639 1.00 32.54 O HETATM 2171 O HOH 111 58.234 16.550 54.249 1.00 20.53 O HETATM 2172 O HOH 112 65.125 -8.412 57.659 1.00 11.68 O HETATM 2173 O HOH 113 43.076 6.677 50.639 1.00 17.87 O HETATM 2174 O HOH 114 28.576 7.934 47.979 1.00 21.66 O HETATM 2175 O HOH 115 38.508 6.484 57.334 1.00 21.09 O HETATM 2176 O HOH 116 36.458 -8.933 41.265 1.00 26.71 O HETATM 2177 O HOH 117 33.066 -10.351 57.438 1.00 39.12 O HETATM 2178 O HOH 118 56.427 10.445 70.241 1.00 18.77 O HETATM 2179 O HOH 119 50.380 -16.082 59.642 1.00 17.66 O HETATM 2180 O HOH 120 42.151 1.452 62.964 1.00 25.57 O HETATM 2181 O HOH 121 61.723 -12.588 39.337 1.00 23.81 O HETATM 2182 O HOH 122 46.778 13.004 54.990 1.00 21.53 O HETATM 2183 O HOH 123 29.525 -0.124 44.778 1.00 26.76 O HETATM 2184 O HOH 124 41.421 9.358 58.081 1.00 19.79 O HETATM 2185 O HOH 125 42.618 12.012 52.699 1.00 29.82 O HETATM 2186 O HOH 126 52.210 4.727 38.921 1.00 13.90 O HETATM 2187 O HOH 127 65.708 9.575 52.818 1.00 14.76 O HETATM 2188 O HOH 128 45.396 6.176 69.342 1.00 31.12 O HETATM 2189 O HOH 129 30.307 2.698 58.068 1.00 34.14 O HETATM 2190 O HOH 130 45.102 6.895 32.083 1.00 35.11 O HETATM 2191 O HOH 131 32.602 -3.273 56.926 1.00 25.85 O HETATM 2192 O HOH 132 38.157 -1.814 35.280 1.00 27.35 O HETATM 2193 O HOH 133 63.462 -4.698 71.772 1.00 34.03 O HETATM 2194 O HOH 134 68.785 4.750 50.798 1.00 32.43 O HETATM 2195 O HOH 135 59.944 7.556 69.275 1.00 30.40 O HETATM 2196 O HOH 136 44.033 6.545 48.677 1.00 27.40 O HETATM 2197 O HOH 137 65.461 -13.003 64.866 1.00 27.70 O HETATM 2198 O HOH 138 26.535 2.946 38.925 1.00 31.25 O HETATM 2199 O HOH 139 64.581 9.149 49.968 1.00 19.03 O HETATM 2200 O HOH 140 35.859 -1.610 59.909 1.00 32.02 O HETATM 2201 O HOH 141 46.345 -11.202 62.308 1.00 19.07 O HETATM 2202 O HOH 142 45.340 5.945 60.690 1.00 19.64 O HETATM 2203 O HOH 143 24.441 8.075 45.116 1.00 27.95 O HETATM 2204 O HOH 144 41.740 8.455 31.843 1.00 28.87 O HETATM 2205 O HOH 145 63.714 -10.850 38.490 1.00 32.62 O HETATM 2206 O HOH 146 54.940 -4.533 32.272 1.00 26.92 O HETATM 2207 O HOH 147 41.465 -15.738 34.377 1.00 33.48 O HETATM 2208 O HOH 148 54.680 -14.740 34.253 1.00 20.19 O HETATM 2209 O HOH 149 50.227 -8.918 34.110 1.00 23.81 O HETATM 2210 O HOH 150 61.153 -14.333 50.559 1.00 22.60 O HETATM 2211 O HOH 151 52.272 25.503 46.863 1.00 26.06 O HETATM 2212 O HOH 152 68.824 -6.254 61.175 1.00 30.00 O HETATM 2213 O HOH 153 31.901 -4.656 45.076 1.00 29.48 O HETATM 2214 O HOH 154 43.401 -12.145 62.727 1.00 28.62 O HETATM 2215 O HOH 155 49.449 5.182 35.295 1.00 21.57 O HETATM 2216 O HOH 156 50.928 -18.950 38.071 1.00 18.86 O HETATM 2217 O HOH 157 41.116 -9.232 61.535 1.00 25.31 O HETATM 2218 O HOH 158 44.865 -20.924 54.088 1.00 39.34 O HETATM 2219 O HOH 159 48.695 -4.116 35.090 1.00 29.00 O HETATM 2220 O HOH 160 60.595 -16.625 54.188 1.00 22.04 O HETATM 2221 O HOH 161 29.411 6.584 52.015 1.00 26.34 O HETATM 2222 O HOH 162 47.571 18.389 51.860 1.00 28.62 O HETATM 2223 O HOH 163 49.601 10.264 43.594 1.00 20.90 O HETATM 2224 O HOH 164 51.235 -8.580 68.814 1.00 23.18 O HETATM 2225 O HOH 165 31.491 -0.350 33.814 1.00 37.22 O HETATM 2226 O HOH 166 26.789 -0.788 42.399 1.00 29.35 O HETATM 2227 O HOH 167 68.474 5.894 57.404 1.00 21.28 O HETATM 2228 O HOH 168 65.832 -10.484 62.038 1.00 26.93 O HETATM 2229 O HOH 169 67.516 -3.980 43.190 1.00 29.54 O HETATM 2230 O HOH 170 44.769 -6.893 67.354 1.00 28.71 O HETATM 2231 O HOH 171 43.670 10.664 48.545 1.00 25.83 O HETATM 2232 O HOH 172 38.793 -10.972 53.446 1.00 27.22 O HETATM 2233 O HOH 173 47.160 13.706 57.069 1.00 25.98 O HETATM 2234 O HOH 174 49.563 -11.139 69.176 1.00 27.67 O HETATM 2235 O HOH 175 43.958 8.220 61.778 1.00 29.49 O HETATM 2236 O HOH 176 46.378 13.395 48.941 1.00 35.02 O HETATM 2237 O HOH 177 51.511 6.050 36.794 1.00 22.36 O HETATM 2238 O HOH 178 51.215 7.298 33.387 1.00 37.36 O HETATM 2239 O HOH 179 34.823 0.259 33.225 1.00 30.10 O HETATM 2240 O HOH 180 32.965 -6.405 40.298 1.00 32.54 O HETATM 2241 O HOH 181 48.537 10.060 64.536 1.00 18.70 O HETATM 2242 O HOH 182 26.651 0.293 40.007 1.00 29.36 O HETATM 2243 O HOH 183 52.380 11.018 42.420 1.00 26.78 O HETATM 2244 O HOH 184 44.390 4.804 29.655 1.00 31.77 O HETATM 2245 O HOH 185 64.793 12.176 53.393 1.00 24.88 O HETATM 2246 O HOH 186 31.991 -7.529 60.183 1.00 39.04 O HETATM 2247 O HOH 187 45.215 4.701 72.190 1.00 34.91 O HETATM 2248 O HOH 188 29.199 5.886 54.984 1.00 32.88 O HETATM 2249 O HOH 189 49.027 26.344 46.772 1.00 34.40 O HETATM 2250 O HOH 190 52.789 12.121 39.714 1.00 28.95 O HETATM 2251 O HOH 191 66.620 -4.385 61.018 1.00 16.32 O HETATM 2252 O HOH 192 31.148 -7.797 46.383 1.00 39.51 O HETATM 2253 O HOH 193 68.022 -1.541 65.008 1.00 30.45 O HETATM 2254 O HOH 194 33.926 13.721 57.403 1.00 36.31 O HETATM 2255 O HOH 195 41.949 -0.710 64.774 1.00 29.88 O HETATM 2256 O HOH 196 35.542 -13.931 61.357 1.00 35.46 O HETATM 2257 O HOH 197 41.124 1.532 68.610 1.00 39.23 O HETATM 2258 O HOH 198 65.796 -4.780 38.872 1.00 30.20 O HETATM 2259 O HOH 199 44.464 -0.218 71.512 1.00 33.51 O HETATM 2260 O HOH 200 39.891 -14.790 62.772 1.00 42.74 O HETATM 2261 O HOH 201 41.413 10.834 50.678 1.00 27.36 O HETATM 2262 O HOH 202 65.987 -2.717 68.617 1.00 29.09 O HETATM 2263 O HOH 203 61.539 12.207 66.085 1.00 24.48 O HETATM 2264 O HOH 204 51.860 -5.430 32.426 1.00 30.45 O HETATM 2265 O HOH 205 63.460 6.281 31.775 1.00 28.74 O HETATM 2266 O HOH 206 62.774 -16.860 57.967 1.00 32.01 O HETATM 2267 O HOH 207 65.563 8.956 60.159 1.00 28.78 O HETATM 2268 O HOH 208 59.276 -18.587 58.409 1.00 18.77 O HETATM 2269 O HOH 209 68.749 3.707 53.099 1.00 22.84 O HETATM 2270 O HOH 210 59.764 -14.490 40.698 1.00 19.75 O HETATM 2271 O HOH 211 61.110 13.700 54.588 1.00 18.04 O HETATM 2272 O HOH 212 61.820 9.338 59.776 1.00 24.31 O HETATM 2273 O HOH 213 49.951 -16.021 45.628 1.00 27.83 O HETATM 2274 O HOH 214 46.054 -8.712 69.896 1.00 32.20 O HETATM 2275 O HOH 215 36.360 -1.549 33.370 1.00 36.51 O HETATM 2276 O HOH 216 69.109 1.997 54.866 1.00 21.76 O HETATM 2277 O HOH 217 40.118 -2.645 32.694 1.00 35.18 O HETATM 2278 O HOH 218 28.773 -2.532 45.210 1.00 34.43 O HETATM 2279 O HOH 219 51.861 17.798 49.293 1.00 25.24 O HETATM 2280 O HOH 220 65.680 -13.076 54.989 1.00 23.38 O HETATM 2281 O HOH 221 69.760 -8.948 67.653 1.00 36.06 O HETATM 2282 O HOH 222 59.780 22.330 51.953 1.00 31.02 O HETATM 2283 O HOH 223 28.739 -1.749 57.600 1.00 28.19 O HETATM 2284 O HOH 224 64.717 -5.696 58.088 1.00 11.74 O HETATM 2285 O HOH 225 62.423 -10.199 36.409 1.00 25.07 O HETATM 2286 O HOH 226 66.912 -9.619 59.460 1.00 23.93 O HETATM 2287 O HOH 227 64.713 -16.383 62.674 1.00 37.46 O HETATM 2288 O HOH 228 31.530 -2.607 37.186 1.00 34.58 O HETATM 2289 O HOH 229 62.813 11.453 58.144 1.00 25.75 O HETATM 2290 O HOH 230 68.848 -7.684 59.211 1.00 27.12 O HETATM 2291 O HOH 231 29.221 -3.388 38.956 1.00 35.78 O HETATM 2292 O HOH 232 67.014 -4.185 58.340 1.00 14.54 O HETATM 2293 O HOH 233 34.352 -8.307 39.609 1.00 37.18 O HETATM 2294 O HOH 234 69.856 -10.297 46.010 1.00 33.60 O HETATM 2295 O HOH 235 67.779 -1.474 57.748 1.00 14.88 O HETATM 2296 O HOH 236 47.549 -10.769 70.315 1.00 29.66 O HETATM 2297 O HOH 237 27.900 3.448 57.020 1.00 28.01 O HETATM 2298 O HOH 238 64.652 14.477 57.612 1.00 30.43 O HETATM 2299 O HOH 239 31.183 -13.125 47.110 1.00 36.18 O HETATM 2300 O HOH 240 53.720 -14.805 31.215 1.00 22.56 O HETATM 2301 O HOH 241 47.029 -13.519 69.045 1.00 27.43 O HETATM 2302 O HOH 242 24.789 1.269 35.099 1.00 32.88 O HETATM 2303 O HOH 243 68.057 -11.883 58.039 1.00 27.98 O HETATM 2304 O HOH 244 40.716 10.731 63.725 1.00 37.12 O HETATM 2305 O HOH 245 66.708 -17.001 63.787 1.00 30.27 O HETATM 2306 C02 O A 5 49.296 11.783 46.890 1.00 0.24 C HETATM 2307 C09 O A 5 49.926 13.171 47.061 1.00 0.16 C HETATM 2308 C17 O A 5 51.421 13.285 46.753 1.00 0.00 C HETATM 2309 C18 O A 5 52.092 12.340 45.997 1.00 -0.06 C HETATM 2310 C19 O A 5 53.438 12.482 45.706 1.00 -0.07 C HETATM 2311 C20 O A 5 54.127 13.580 46.180 1.00 -0.07 C HETATM 2312 C21 O A 5 53.466 14.536 46.937 1.00 -0.07 C HETATM 2313 C22 O A 5 52.114 14.394 47.217 1.00 -0.06 C HETATM 2314 H11 O A 5 51.599 15.150 47.799 1.00 0.06 H HETATM 2315 H10 O A 5 54.007 15.397 47.311 1.00 0.06 H HETATM 2316 H9 O A 5 55.182 13.695 45.961 1.00 0.06 H HETATM 2317 H8 O A 5 53.948 11.735 45.109 1.00 0.06 H HETATM 2318 H7 O A 5 51.555 11.474 45.627 1.00 0.06 H HETATM 2319 N10 O A 5 49.227 14.032 46.113 1.00 -0.29 N HETATM 2320 C11 O A 5 49.762 14.226 44.766 1.00 0.04 C HETATM 2321 C12 O A 5 49.855 13.158 43.891 1.00 -0.04 C HETATM 2322 C13 O A 5 50.380 13.321 42.620 1.00 -0.07 C HETATM 2323 C14 O A 5 50.801 14.567 42.201 1.00 -0.08 C HETATM 2324 C15 O A 5 50.704 15.640 43.072 1.00 -0.07 C HETATM 2325 C16 O A 5 50.194 15.477 44.351 1.00 -0.04 C HETATM 2326 H6 O A 5 50.133 16.324 45.024 1.00 0.05 H HETATM 2327 H5 O A 5 51.032 16.622 42.749 1.00 0.06 H HETATM 2328 H4 O A 5 51.202 14.704 41.203 1.00 0.05 H HETATM 2329 H3 O A 5 50.460 12.470 41.954 1.00 0.06 H HETATM 2330 H2 O A 5 49.512 12.179 44.205 1.00 0.05 H HETATM 2331 H14 O A 5 48.355 14.504 46.393 1.00 0.18 H HETATM 2332 H1 O A 5 49.757 13.511 48.093 1.00 0.10 H HETATM 2333 N03 O A 5 47.961 11.801 46.316 1.00 -0.21 N HETATM 2334 C04 O A 5 47.109 10.660 46.053 1.00 0.22 C HETATM 2335 N05 O A 5 45.929 10.756 45.476 1.00 -0.16 N HETATM 2336 N06 O A 5 45.384 9.513 45.393 1.00 -0.06 N HETATM 2337 N07 O A 5 46.272 8.649 45.956 1.00 -0.13 N HETATM 2338 N08 O A 5 47.344 9.393 46.353 1.00 -0.16 N HETATM 2339 H13 O A 5 46.157 7.631 46.062 1.00 0.28 H HETATM 2340 H12 O A 5 47.591 12.698 46.077 1.00 0.23 H HETATM 2341 O01 O A 5 49.837 10.766 47.203 1.00 -0.38 O CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 747 745 746 2061 CONECT 761 760 763 2061 CONECT 785 783 2062 CONECT 1341 1339 1340 2061 CONECT 1494 1493 2062 CONECT 1867 1865 1866 2062 CONECT 2061 747 761 1341 CONECT 2062 785 1494 1867 CONECT 2306 2307 2333 2341 CONECT 2307 2306 2308 2319 2332 CONECT 2308 2307 2309 2313 CONECT 2309 2308 2310 2318 CONECT 2310 2309 2311 2317 CONECT 2311 2310 2312 2316 CONECT 2312 2311 2313 2315 CONECT 2313 2308 2312 2314 CONECT 2314 2313 CONECT 2315 2312 CONECT 2316 2311 CONECT 2317 2310 CONECT 2318 2309 CONECT 2319 2307 2320 2331 CONECT 2320 2319 2321 2325 CONECT 2321 2320 2322 2330 CONECT 2322 2321 2323 2329 CONECT 2323 2322 2324 2328 CONECT 2324 2323 2325 2327 CONECT 2325 2320 2324 2326 CONECT 2326 2325 CONECT 2327 2324 CONECT 2328 2323 CONECT 2329 2322 CONECT 2330 2321 CONECT 2331 2319 CONECT 2332 2307 CONECT 2333 2306 2334 2340 CONECT 2334 2333 2335 2338 CONECT 2335 2334 2336 CONECT 2336 2335 2337 CONECT 2337 2336 2338 2339 CONECT 2338 2334 2337 CONECT 2339 2337 CONECT 2340 2333 CONECT 2341 2306 MASTER 0 0 0 0 0 0 0 0 2340 1 48 18 END
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Related entries of code: 6efj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
272aa, >4EXS_1|Chains... *
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PDBbind
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6rmf
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PDBbind
244aa, >6RMF_1|Chains... at 99%
6q2y
RCSB PDB
PDBbind
244aa, >6Q2Y_1|Chains... at 100%
6q30
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PDBbind
244aa, >6Q30_1|Chains... at 100%
6ovz
RCSB PDB
PDBbind
235aa, >6OVZ_1|Chains... at 100%
6mdu
RCSB PDB
PDBbind
233aa, >6MDU_1|Chain... at 98%
6ibv
RCSB PDB
PDBbind
244aa, >6IBV_1|Chains... at 100%
6ibs
RCSB PDB
PDBbind
244aa, >6IBS_1|Chains... at 100%
6d1k
RCSB PDB
PDBbind
233aa, >6D1K_1|Chain... at 98%
6d1i
RCSB PDB
PDBbind
233aa, >6D1I_1|Chain... at 98%
6d1j
RCSB PDB
PDBbind
233aa, >6D1J_1|Chain... at 98%
6d1h
RCSB PDB
PDBbind
233aa, >6D1H_1|Chain... at 98%
6d1g
RCSB PDB
PDBbind
233aa, >6D1G_1|Chain... at 98%
6d1d
RCSB PDB
PDBbind
233aa, >6D1D_1|Chain... at 98%
6d1b
RCSB PDB
PDBbind
233aa, >6D1B_1|Chain... at 98%
6d1a
RCSB PDB
PDBbind
233aa, >6D1A_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6mey
RCSB PDB
PDBbind
O5E
Entry Information
PDB ID
6efj
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Metallo-beta-lactamase type 2
Ligand Name
O5E
EC.Number
E.C.3.5.2.6
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Ki=477uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Infect Dis. Vol. 5: pp. 1013-1021
Ligand Properties
Formula
C
1
5
H
1
4
N
6
O
Molecular Weight
294.311
Exact Mass
294.123
No. of atoms
36
No. of bonds
38
Polar Surface Area
95.59
LOGP Value
2.39 (
Computed with XLOGP3
)
2.14 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
O=C([C@@H](c1ccccc1)Nc1ccccc1)Nc1n[nH]nn1
InChI String
InChI=1S/C15H14N6O/c22-14(17-15-18-20-21-19-15)13(11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,13,16H,(H2,17,18,19,20,21,22)/t13-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
C7C422
Entrez Gene ID
NCBI Entrez Gene ID:
61419528
ASD
Information of known allosteric effects of PDB entries
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