Browse entries in the PDBbind-CN Database
HEADER 6D1J_COMPLEX COMPND 6D1J_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 MOL A 589 30 ATOM 1 N GLY A 42 45.315 2.194 71.328 1.00 35.26 N ATOM 2 CA GLY A 42 45.376 1.308 70.181 1.00 34.43 C ATOM 3 C GLY A 42 46.508 1.660 69.237 1.00 33.04 C ATOM 4 O GLY A 42 47.288 0.796 68.829 1.00 34.63 O ATOM 5 HN3 GLY A 42 45.170 3.171 71.002 1.00 0.00 H ATOM 6 HN2 GLY A 42 46.207 2.133 71.859 1.00 0.00 H ATOM 7 HN1 GLY A 42 44.525 1.911 71.942 1.00 0.00 H ATOM 8 N ASP A 43 46.594 2.937 68.879 1.00 29.60 N ATOM 9 CA ASP A 43 47.694 3.402 68.050 1.00 26.72 C ATOM 10 C ASP A 43 48.980 3.428 68.867 1.00 24.15 C ATOM 11 O ASP A 43 48.984 3.803 70.042 1.00 24.80 O ATOM 12 CB ASP A 43 47.394 4.801 67.519 1.00 27.07 C ATOM 13 CG ASP A 43 46.370 4.796 66.399 1.00 28.64 C ATOM 14 OD1 ASP A 43 46.083 3.714 65.853 1.00 29.01 O ATOM 15 OD2 ASP A 43 45.845 5.880 66.073 1.00 29.60 O ATOM 16 H ASP A 43 45.867 3.610 69.195 1.00 0.00 H ATOM 17 N GLN A 44 50.074 3.019 68.240 1.00 20.94 N ATOM 18 CA GLN A 44 51.386 3.008 68.868 1.00 19.45 C ATOM 19 C GLN A 44 52.287 3.948 68.083 1.00 15.99 C ATOM 20 O GLN A 44 52.554 3.709 66.900 1.00 14.82 O ATOM 21 CB GLN A 44 51.957 1.590 68.871 1.00 21.69 C ATOM 22 CG GLN A 44 53.251 1.428 69.645 1.00 24.98 C ATOM 23 CD GLN A 44 53.772 -0.003 69.618 1.00 26.83 C ATOM 24 OE1 GLN A 44 53.400 -0.799 68.755 1.00 26.77 O ATOM 25 NE2 GLN A 44 54.621 -0.339 70.580 1.00 28.14 N ATOM 26 HE22 GLN A 44 54.909 0.365 71.289 1.00 0.00 H ATOM 27 HE21 GLN A 44 54.999 -1.307 70.625 1.00 0.00 H ATOM 28 H GLN A 44 49.991 2.692 67.256 1.00 0.00 H ATOM 29 N ARG A 45 52.727 5.026 68.725 1.00 14.92 N ATOM 30 CA ARG A 45 53.675 5.937 68.104 1.00 14.77 C ATOM 31 C ARG A 45 55.075 5.368 68.260 1.00 15.17 C ATOM 32 O ARG A 45 55.491 5.006 69.364 1.00 16.79 O ATOM 33 CB ARG A 45 53.592 7.323 68.746 1.00 14.71 C ATOM 34 CG ARG A 45 52.216 7.983 68.645 1.00 15.42 C ATOM 35 CD ARG A 45 52.243 9.433 69.094 1.00 15.41 C ATOM 36 NE ARG A 45 52.627 9.574 70.497 1.00 14.78 N ATOM 37 CZ ARG A 45 51.780 9.549 71.522 1.00 14.87 C ATOM 38 NH1 ARG A 45 52.239 9.702 72.752 1.00 14.04 N ATOM 39 NH2 ARG A 45 50.480 9.371 71.325 1.00 16.07 N ATOM 40 HE ARG A 45 53.637 9.703 70.709 1.00 0.00 H ATOM 41 HH12 ARG A 45 51.582 9.684 73.558 1.00 0.00 H ATOM 42 HH11 ARG A 45 53.257 9.841 72.914 1.00 0.00 H ATOM 43 HH22 ARG A 45 49.829 9.354 72.136 1.00 0.00 H ATOM 44 HH21 ARG A 45 50.112 9.249 70.360 1.00 0.00 H ATOM 45 H ARG A 45 52.387 5.221 69.688 1.00 0.00 H ATOM 46 N PHE A 46 55.795 5.270 67.152 1.00 13.09 N ATOM 47 CA PHE A 46 57.140 4.702 67.142 1.00 12.58 C ATOM 48 C PHE A 46 57.939 5.649 66.261 1.00 13.64 C ATOM 49 O PHE A 46 57.814 5.618 65.033 1.00 13.36 O ATOM 50 CB PHE A 46 57.101 3.285 66.582 1.00 12.40 C ATOM 51 CG PHE A 46 58.430 2.572 66.575 1.00 13.04 C ATOM 52 CD1 PHE A 46 58.853 1.844 67.675 1.00 14.42 C ATOM 53 CD2 PHE A 46 59.229 2.581 65.441 1.00 12.73 C ATOM 54 CE1 PHE A 46 60.061 1.165 67.653 1.00 15.04 C ATOM 55 CE2 PHE A 46 60.437 1.909 65.414 1.00 12.97 C ATOM 56 CZ PHE A 46 60.854 1.201 66.521 1.00 14.71 C ATOM 57 H PHE A 46 55.388 5.610 66.258 1.00 0.00 H ATOM 58 N GLY A 47 58.718 6.515 66.902 1.00 15.60 N ATOM 59 CA GLY A 47 59.314 7.629 66.191 1.00 16.15 C ATOM 60 C GLY A 47 58.227 8.433 65.515 1.00 15.09 C ATOM 61 O GLY A 47 57.211 8.795 66.124 1.00 15.97 O ATOM 62 H GLY A 47 58.901 6.393 67.918 1.00 0.00 H ATOM 63 N ASP A 48 58.421 8.674 64.225 1.00 13.19 N ATOM 64 CA ASP A 48 57.513 9.475 63.427 1.00 12.21 C ATOM 65 C ASP A 48 56.450 8.635 62.729 1.00 10.14 C ATOM 66 O ASP A 48 55.725 9.164 61.883 1.00 10.72 O ATOM 67 CB ASP A 48 58.312 10.276 62.397 1.00 13.93 C ATOM 68 CG ASP A 48 57.686 11.609 62.085 1.00 14.87 C ATOM 69 OD1 ASP A 48 57.246 12.297 63.035 1.00 15.37 O ATOM 70 OD2 ASP A 48 57.646 11.972 60.889 1.00 15.91 O ATOM 71 H ASP A 48 59.262 8.270 63.765 1.00 0.00 H ATOM 72 N LEU A 49 56.349 7.346 63.053 1.00 9.42 N ATOM 73 CA LEU A 49 55.388 6.437 62.446 1.00 9.83 C ATOM 74 C LEU A 49 54.353 6.008 63.481 1.00 9.30 C ATOM 75 O LEU A 49 54.520 6.204 64.689 1.00 9.44 O ATOM 76 CB LEU A 49 56.109 5.227 61.833 1.00 12.60 C ATOM 77 CG LEU A 49 56.764 5.500 60.465 1.00 14.41 C ATOM 78 CD1 LEU A 49 58.123 6.171 60.617 1.00 16.41 C ATOM 79 CD2 LEU A 49 56.887 4.220 59.663 1.00 14.74 C ATOM 80 H LEU A 49 56.992 6.969 63.779 1.00 0.00 H ATOM 81 N VAL A 50 53.254 5.438 62.991 1.00 8.85 N ATOM 82 CA VAL A 50 52.180 4.938 63.839 1.00 9.78 C ATOM 83 C VAL A 50 51.841 3.519 63.408 1.00 9.61 C ATOM 84 O VAL A 50 51.747 3.230 62.211 1.00 9.59 O ATOM 85 CB VAL A 50 50.936 5.853 63.788 1.00 10.94 C ATOM 86 CG1 VAL A 50 49.791 5.257 64.589 1.00 12.43 C ATOM 87 CG2 VAL A 50 51.279 7.254 64.292 1.00 11.91 C ATOM 88 H VAL A 50 53.158 5.346 61.960 1.00 0.00 H ATOM 89 N PHE A 51 51.656 2.636 64.387 1.00 9.55 N ATOM 90 CA PHE A 51 51.315 1.241 64.147 1.00 10.46 C ATOM 91 C PHE A 51 50.044 0.902 64.908 1.00 11.34 C ATOM 92 O PHE A 51 49.870 1.318 66.055 1.00 12.33 O ATOM 93 CB PHE A 51 52.469 0.327 64.587 1.00 10.66 C ATOM 94 CG PHE A 51 53.733 0.560 63.816 1.00 10.23 C ATOM 95 CD1 PHE A 51 54.617 1.564 64.186 1.00 10.57 C ATOM 96 CD2 PHE A 51 54.012 -0.198 62.687 1.00 10.39 C ATOM 97 CE1 PHE A 51 55.770 1.793 63.452 1.00 10.95 C ATOM 98 CE2 PHE A 51 55.162 0.025 61.951 1.00 10.18 C ATOM 99 CZ PHE A 51 56.040 1.019 62.333 1.00 10.46 C ATOM 100 H PHE A 51 51.760 2.958 65.370 1.00 0.00 H ATOM 101 N ARG A 52 49.147 0.157 64.265 1.00 11.32 N ATOM 102 CA ARG A 52 47.866 -0.204 64.865 1.00 12.71 C ATOM 103 C ARG A 52 47.587 -1.668 64.568 1.00 12.01 C ATOM 104 O ARG A 52 47.547 -2.068 63.401 1.00 11.70 O ATOM 105 CB ARG A 52 46.727 0.672 64.324 1.00 14.58 C ATOM 106 CG ARG A 52 45.353 0.296 64.875 1.00 17.12 C ATOM 107 CD ARG A 52 44.219 1.027 64.163 1.00 19.70 C ATOM 108 NE ARG A 52 44.197 2.451 64.483 1.00 22.33 N ATOM 109 CZ ARG A 52 43.199 3.276 64.172 1.00 24.63 C ATOM 110 NH1 ARG A 52 42.128 2.820 63.534 1.00 25.02 N ATOM 111 NH2 ARG A 52 43.272 4.560 64.503 1.00 26.02 N ATOM 112 HE ARG A 52 45.015 2.848 64.988 1.00 0.00 H ATOM 113 HH12 ARG A 52 41.351 3.468 63.293 1.00 0.00 H ATOM 114 HH11 ARG A 52 42.066 1.815 63.275 1.00 0.00 H ATOM 115 HH22 ARG A 52 42.493 5.205 64.260 1.00 0.00 H ATOM 116 HH21 ARG A 52 44.108 4.921 65.005 1.00 0.00 H ATOM 117 H ARG A 52 49.366 -0.178 63.305 1.00 0.00 H ATOM 118 N GLN A 53 47.389 -2.466 65.614 1.00 12.65 N ATOM 119 CA GLN A 53 47.037 -3.863 65.406 1.00 12.51 C ATOM 120 C GLN A 53 45.593 -3.959 64.927 1.00 11.78 C ATOM 121 O GLN A 53 44.695 -3.337 65.502 1.00 13.36 O ATOM 122 CB GLN A 53 47.221 -4.663 66.692 1.00 14.50 C ATOM 123 CG GLN A 53 47.027 -6.153 66.483 1.00 16.41 C ATOM 124 CD GLN A 53 47.641 -6.979 67.586 1.00 18.91 C ATOM 125 OE1 GLN A 53 47.834 -6.497 68.699 1.00 20.62 O ATOM 126 NE2 GLN A 53 47.943 -8.237 67.288 1.00 19.59 N ATOM 127 HE22 GLN A 53 47.762 -8.603 66.331 1.00 0.00 H ATOM 128 HE21 GLN A 53 48.361 -8.857 68.011 1.00 0.00 H ATOM 129 H GLN A 53 47.486 -2.092 66.580 1.00 0.00 H ATOM 130 N LEU A 54 45.375 -4.738 63.865 1.00 10.90 N ATOM 131 CA LEU A 54 44.056 -4.933 63.283 1.00 10.96 C ATOM 132 C LEU A 54 43.507 -6.329 63.507 1.00 11.63 C ATOM 133 O LEU A 54 42.287 -6.510 63.471 1.00 13.18 O ATOM 134 CB LEU A 54 44.103 -4.686 61.767 1.00 11.07 C ATOM 135 CG LEU A 54 44.652 -3.338 61.296 1.00 11.85 C ATOM 136 CD1 LEU A 54 44.526 -3.244 59.793 1.00 11.75 C ATOM 137 CD2 LEU A 54 43.923 -2.183 61.969 1.00 12.99 C ATOM 138 H LEU A 54 46.185 -5.228 63.434 1.00 0.00 H ATOM 139 N ALA A 55 44.377 -7.304 63.717 1.00 12.08 N ATOM 140 CA ALA A 55 44.004 -8.693 63.936 1.00 12.73 C ATOM 141 C ALA A 55 45.171 -9.355 64.649 1.00 12.24 C ATOM 142 O ALA A 55 46.247 -8.756 64.758 1.00 12.26 O ATOM 143 CB ALA A 55 43.704 -9.392 62.599 1.00 13.24 C ATOM 144 H ALA A 55 45.389 -7.063 63.726 1.00 0.00 H ATOM 145 N PRO A 56 44.999 -10.582 65.157 1.00 13.59 N ATOM 146 CA PRO A 56 46.113 -11.210 65.891 1.00 14.42 C ATOM 147 C PRO A 56 47.444 -11.223 65.151 1.00 13.49 C ATOM 148 O PRO A 56 48.501 -11.130 65.790 1.00 14.72 O ATOM 149 CB PRO A 56 45.591 -12.626 66.162 1.00 15.45 C ATOM 150 CG PRO A 56 44.124 -12.440 66.303 1.00 16.02 C ATOM 151 CD PRO A 56 43.756 -11.370 65.302 1.00 15.05 C ATOM 152 N ASN A 57 47.419 -11.346 63.820 1.00 12.01 N ATOM 153 CA ASN A 57 48.626 -11.441 63.005 1.00 10.63 C ATOM 154 C ASN A 57 48.749 -10.295 61.999 1.00 9.00 C ATOM 155 O ASN A 57 49.513 -10.416 61.037 1.00 8.50 O ATOM 156 CB ASN A 57 48.674 -12.777 62.248 1.00 11.10 C ATOM 157 CG ASN A 57 48.944 -13.980 63.147 1.00 12.01 C ATOM 158 OD1 ASN A 57 48.549 -14.011 64.307 1.00 12.93 O ATOM 159 ND2 ASN A 57 49.606 -14.991 62.591 1.00 12.31 N ATOM 160 HD22 ASN A 57 49.924 -14.924 61.603 1.00 0.00 H ATOM 161 HD21 ASN A 57 49.806 -15.849 63.144 1.00 0.00 H ATOM 162 H ASN A 57 46.496 -11.375 63.343 1.00 0.00 H ATOM 163 N VAL A 58 48.007 -9.196 62.170 1.00 8.99 N ATOM 164 CA VAL A 58 47.989 -8.106 61.191 1.00 8.73 C ATOM 165 C VAL A 58 48.097 -6.753 61.883 1.00 8.20 C ATOM 166 O VAL A 58 47.329 -6.459 62.805 1.00 8.76 O ATOM 167 CB VAL A 58 46.722 -8.137 60.312 1.00 9.17 C ATOM 168 CG1 VAL A 58 46.801 -7.059 59.250 1.00 9.23 C ATOM 169 CG2 VAL A 58 46.539 -9.500 59.660 1.00 10.07 C ATOM 170 H VAL A 58 47.423 -9.112 63.027 1.00 0.00 H ATOM 171 N TRP A 59 48.998 -5.905 61.383 1.00 8.05 N ATOM 172 CA TRP A 59 49.150 -4.535 61.845 1.00 8.44 C ATOM 173 C TRP A 59 49.155 -3.595 60.648 1.00 7.74 C ATOM 174 O TRP A 59 49.608 -3.954 59.554 1.00 8.52 O ATOM 175 CB TRP A 59 50.469 -4.353 62.589 1.00 8.85 C ATOM 176 CG TRP A 59 50.605 -5.186 63.822 1.00 9.89 C ATOM 177 CD1 TRP A 59 50.432 -4.772 65.113 1.00 11.12 C ATOM 178 CD2 TRP A 59 50.978 -6.570 63.891 1.00 10.46 C ATOM 179 NE1 TRP A 59 50.661 -5.813 65.976 1.00 11.86 N ATOM 180 CE2 TRP A 59 50.997 -6.928 65.254 1.00 12.19 C ATOM 181 CE3 TRP A 59 51.296 -7.544 62.932 1.00 11.75 C ATOM 182 CZ2 TRP A 59 51.317 -8.213 65.685 1.00 13.46 C ATOM 183 CZ3 TRP A 59 51.613 -8.822 63.364 1.00 13.12 C ATOM 184 CH2 TRP A 59 51.620 -9.143 64.727 1.00 13.63 C ATOM 185 HE1 TRP A 59 50.591 -5.764 67.012 1.00 0.00 H ATOM 186 H TRP A 59 49.624 -6.242 60.624 1.00 0.00 H ATOM 187 N GLN A 60 48.674 -2.378 60.877 1.00 7.39 N ATOM 188 CA GLN A 60 48.739 -1.304 59.900 1.00 7.36 C ATOM 189 C GLN A 60 49.906 -0.386 60.247 1.00 7.35 C ATOM 190 O GLN A 60 50.046 0.030 61.403 1.00 8.96 O ATOM 191 CB GLN A 60 47.428 -0.522 59.915 1.00 8.21 C ATOM 192 CG GLN A 60 47.375 0.608 58.909 1.00 8.48 C ATOM 193 CD GLN A 60 46.081 1.396 59.005 1.00 9.38 C ATOM 194 OE1 GLN A 60 45.173 1.231 58.190 1.00 10.87 O ATOM 195 NE2 GLN A 60 45.989 2.252 60.014 1.00 9.40 N ATOM 196 HE22 GLN A 60 46.781 2.359 60.679 1.00 0.00 H ATOM 197 HE21 GLN A 60 45.124 2.816 60.140 1.00 0.00 H ATOM 198 H GLN A 60 48.231 -2.185 61.798 1.00 0.00 H ATOM 199 N HIS A 61 50.749 -0.089 59.257 1.00 6.89 N ATOM 200 CA HIS A 61 51.795 0.918 59.409 1.00 6.60 C ATOM 201 C HIS A 61 51.363 2.221 58.758 1.00 6.65 C ATOM 202 O HIS A 61 50.728 2.205 57.702 1.00 6.93 O ATOM 203 CB HIS A 61 53.170 0.454 58.890 1.00 6.73 C ATOM 204 CG HIS A 61 53.284 0.205 57.406 1.00 5.69 C ATOM 205 ND1 HIS A 61 53.441 1.216 56.480 1.00 5.64 N ATOM 206 CD2 HIS A 61 53.405 -0.959 56.716 1.00 6.08 C ATOM 207 CE1 HIS A 61 53.610 0.684 55.282 1.00 5.56 C ATOM 208 NE2 HIS A 61 53.590 -0.634 55.396 1.00 6.00 N ATOM 209 H HIS A 61 50.658 -0.590 58.350 1.00 0.00 H ATOM 210 N THR A 62 51.710 3.345 59.394 1.00 7.11 N ATOM 211 CA THR A 62 51.349 4.667 58.905 1.00 7.15 C ATOM 212 C THR A 62 52.573 5.568 58.952 1.00 6.67 C ATOM 213 O THR A 62 53.255 5.649 59.982 1.00 7.72 O ATOM 214 CB THR A 62 50.224 5.291 59.740 1.00 7.98 C ATOM 215 OG1 THR A 62 49.092 4.412 59.745 1.00 8.41 O ATOM 216 CG2 THR A 62 49.806 6.638 59.159 1.00 8.59 C ATOM 217 HG1 THR A 62 48.778 4.275 58.816 1.00 0.00 H ATOM 218 H THR A 62 52.260 3.271 60.274 1.00 0.00 H ATOM 219 N SER A 63 52.834 6.265 57.845 1.00 6.34 N ATOM 220 CA SER A 63 53.925 7.222 57.741 1.00 6.62 C ATOM 221 C SER A 63 53.398 8.500 57.100 1.00 6.84 C ATOM 222 O SER A 63 52.330 8.507 56.478 1.00 7.12 O ATOM 223 CB SER A 63 55.087 6.629 56.932 1.00 7.15 C ATOM 224 OG SER A 63 54.686 6.288 55.615 1.00 7.03 O ATOM 225 HG SER A 63 53.959 5.617 55.656 1.00 0.00 H ATOM 226 H SER A 63 52.227 6.117 57.014 1.00 0.00 H ATOM 227 N TYR A 64 54.167 9.584 57.241 1.00 7.26 N ATOM 228 CA TYR A 64 53.705 10.920 56.875 1.00 7.96 C ATOM 229 C TYR A 64 54.724 11.636 56.004 1.00 8.26 C ATOM 230 O TYR A 64 55.932 11.542 56.236 1.00 9.18 O ATOM 231 CB TYR A 64 53.449 11.775 58.137 1.00 9.31 C ATOM 232 CG TYR A 64 52.506 11.103 59.104 1.00 9.45 C ATOM 233 CD1 TYR A 64 52.977 10.199 60.047 1.00 10.14 C ATOM 234 CD2 TYR A 64 51.138 11.345 59.051 1.00 10.38 C ATOM 235 CE1 TYR A 64 52.116 9.555 60.910 1.00 10.97 C ATOM 236 CE2 TYR A 64 50.268 10.706 59.909 1.00 11.18 C ATOM 237 CZ TYR A 64 50.765 9.811 60.838 1.00 12.02 C ATOM 238 OH TYR A 64 49.914 9.171 61.710 1.00 14.01 O ATOM 239 HH TYR A 64 50.437 8.572 62.299 1.00 0.00 H ATOM 240 H TYR A 64 55.127 9.472 57.624 1.00 0.00 H ATOM 241 N LEU A 65 54.225 12.380 55.014 1.00 8.48 N ATOM 242 CA LEU A 65 55.076 13.215 54.180 1.00 9.15 C ATOM 243 C LEU A 65 54.409 14.560 53.940 1.00 10.17 C ATOM 244 O LEU A 65 53.209 14.628 53.668 1.00 11.07 O ATOM 245 CB LEU A 65 55.351 12.566 52.823 1.00 10.71 C ATOM 246 CG LEU A 65 56.396 13.322 51.991 1.00 12.21 C ATOM 247 CD1 LEU A 65 57.797 13.098 52.551 1.00 14.16 C ATOM 248 CD2 LEU A 65 56.348 12.959 50.515 1.00 13.03 C ATOM 249 H LEU A 65 53.201 12.362 54.834 1.00 0.00 H ATOM 250 N ASP A 66 55.203 15.627 54.018 1.00 12.41 N ATOM 251 CA ASP A 66 54.709 16.963 53.699 1.00 15.17 C ATOM 252 C ASP A 66 54.440 17.090 52.203 1.00 16.42 C ATOM 253 O ASP A 66 55.293 16.758 51.369 1.00 17.60 O ATOM 254 CB ASP A 66 55.727 18.022 54.120 1.00 17.86 C ATOM 255 CG ASP A 66 55.274 19.436 53.770 1.00 20.06 C ATOM 256 OD1 ASP A 66 54.102 19.758 54.051 1.00 19.94 O ATOM 257 OD2 ASP A 66 56.077 20.225 53.221 1.00 22.86 O ATOM 258 H ASP A 66 56.193 15.506 54.312 1.00 0.00 H ATOM 259 N MET A 67 53.239 17.546 51.865 1.00 17.96 N ATOM 260 CA MET A 67 52.929 18.022 50.526 1.00 20.22 C ATOM 261 C MET A 67 52.945 19.537 50.625 1.00 19.59 C ATOM 262 O MET A 67 51.987 20.126 51.148 1.00 19.81 O ATOM 263 CB MET A 67 51.547 17.528 50.098 1.00 23.70 C ATOM 264 CG MET A 67 51.458 16.026 49.963 1.00 27.11 C ATOM 265 SD MET A 67 52.247 15.426 48.464 1.00 29.42 S ATOM 266 CE MET A 67 52.338 13.686 48.818 1.00 30.26 C ATOM 267 H MET A 67 52.490 17.563 52.587 1.00 0.00 H ATOM 268 N PRO A 68 54.002 20.208 50.168 1.00 18.73 N ATOM 269 CA PRO A 68 54.188 21.632 50.484 1.00 19.13 C ATOM 270 C PRO A 68 52.978 22.499 50.163 1.00 20.86 C ATOM 271 O PRO A 68 52.434 22.466 49.056 1.00 21.95 O ATOM 272 CB PRO A 68 55.400 22.018 49.629 1.00 18.54 C ATOM 273 CG PRO A 68 56.193 20.757 49.549 1.00 18.73 C ATOM 274 CD PRO A 68 55.175 19.638 49.482 1.00 18.94 C ATOM 275 N GLY A 69 52.568 23.302 51.148 1.00 21.56 N ATOM 276 CA GLY A 69 51.400 24.145 51.024 1.00 23.40 C ATOM 277 C GLY A 69 50.088 23.466 51.343 1.00 24.92 C ATOM 278 O GLY A 69 49.058 24.150 51.415 1.00 26.13 O ATOM 279 H GLY A 69 53.108 23.322 52.036 1.00 0.00 H ATOM 280 N PHE A 70 50.090 22.145 51.552 1.00 24.91 N ATOM 281 CA PHE A 70 48.869 21.383 51.765 1.00 25.35 C ATOM 282 C PHE A 70 48.920 20.453 52.967 1.00 22.23 C ATOM 283 O PHE A 70 47.883 19.885 53.326 1.00 22.83 O ATOM 284 CB PHE A 70 48.517 20.564 50.515 1.00 28.91 C ATOM 285 CG PHE A 70 48.201 21.408 49.318 1.00 32.24 C ATOM 286 CD1 PHE A 70 46.901 21.816 49.065 1.00 33.84 C ATOM 287 CD2 PHE A 70 49.206 21.810 48.452 1.00 33.85 C ATOM 288 CE1 PHE A 70 46.607 22.600 47.963 1.00 34.69 C ATOM 289 CE2 PHE A 70 48.920 22.594 47.348 1.00 34.86 C ATOM 290 CZ PHE A 70 47.619 22.991 47.103 1.00 35.00 C ATOM 291 H PHE A 70 51.000 21.643 51.563 1.00 0.00 H ATOM 292 N GLY A 71 50.075 20.257 53.577 1.00 18.35 N ATOM 293 CA GLY A 71 50.149 19.583 54.854 1.00 14.77 C ATOM 294 C GLY A 71 50.706 18.174 54.747 1.00 11.78 C ATOM 295 O GLY A 71 51.111 17.691 53.687 1.00 12.39 O ATOM 296 H GLY A 71 50.951 20.595 53.129 1.00 0.00 H ATOM 297 N ALA A 72 50.703 17.524 55.901 1.00 10.41 N ATOM 298 CA ALA A 72 51.291 16.206 56.062 1.00 12.16 C ATOM 299 C ALA A 72 50.264 15.144 55.691 1.00 13.62 C ATOM 300 O ALA A 72 49.153 15.125 56.235 1.00 19.48 O ATOM 301 CB ALA A 72 51.741 16.031 57.512 1.00 13.84 C ATOM 302 H ALA A 72 50.261 17.977 56.726 1.00 0.00 H ATOM 303 N VAL A 73 50.626 14.266 54.763 1.00 9.97 N ATOM 304 CA VAL A 73 49.713 13.245 54.261 1.00 9.37 C ATOM 305 C VAL A 73 50.105 11.895 54.843 1.00 8.35 C ATOM 306 O VAL A 73 51.255 11.453 54.696 1.00 7.91 O ATOM 307 CB VAL A 73 49.676 13.230 52.726 1.00 10.45 C ATOM 308 CG1 VAL A 73 48.743 12.137 52.216 1.00 10.93 C ATOM 309 CG2 VAL A 73 49.230 14.592 52.213 1.00 11.75 C ATOM 310 H VAL A 73 51.593 14.308 54.381 1.00 0.00 H ATOM 311 N ALA A 74 49.147 11.243 55.503 1.00 8.51 N ATOM 312 CA ALA A 74 49.341 9.894 56.016 1.00 8.37 C ATOM 313 C ALA A 74 49.214 8.880 54.894 1.00 7.99 C ATOM 314 O ALA A 74 48.366 9.016 54.012 1.00 9.92 O ATOM 315 CB ALA A 74 48.266 9.577 57.057 1.00 10.02 C ATOM 316 H ALA A 74 48.232 11.713 55.656 1.00 0.00 H ATOM 317 N SER A 75 50.041 7.839 54.949 1.00 7.34 N ATOM 318 CA SER A 75 49.891 6.684 54.078 1.00 6.98 C ATOM 319 C SER A 75 50.002 5.419 54.908 1.00 6.30 C ATOM 320 O SER A 75 50.891 5.312 55.761 1.00 6.46 O ATOM 321 CB SER A 75 50.958 6.663 52.995 1.00 7.51 C ATOM 322 OG SER A 75 50.743 5.558 52.141 1.00 8.74 O ATOM 323 HG SER A 75 50.791 4.721 52.668 1.00 0.00 H ATOM 324 H SER A 75 50.820 7.852 55.638 1.00 0.00 H ATOM 325 N ASN A 76 49.102 4.469 54.642 1.00 6.27 N ATOM 326 CA ASN A 76 49.020 3.215 55.380 1.00 6.21 C ATOM 327 C ASN A 76 49.439 2.038 54.510 1.00 5.92 C ATOM 328 O ASN A 76 49.086 1.968 53.326 1.00 6.42 O ATOM 329 CB ASN A 76 47.582 2.912 55.815 1.00 7.05 C ATOM 330 CG ASN A 76 46.964 4.011 56.646 1.00 8.19 C ATOM 331 OD1 ASN A 76 47.626 4.652 57.468 1.00 9.01 O ATOM 332 ND2 ASN A 76 45.668 4.226 56.448 1.00 9.82 N ATOM 333 HD22 ASN A 76 45.149 3.662 55.745 1.00 0.00 H ATOM 334 HD21 ASN A 76 45.173 4.958 56.996 1.00 0.00 H ATOM 335 H ASN A 76 48.425 4.632 53.869 1.00 0.00 H ATOM 336 N GLY A 77 50.121 1.081 55.138 1.00 5.82 N ATOM 337 CA GLY A 77 50.340 -0.244 54.590 1.00 6.42 C ATOM 338 C GLY A 77 50.100 -1.291 55.658 1.00 5.62 C ATOM 339 O GLY A 77 49.562 -0.976 56.729 1.00 6.22 O ATOM 340 H GLY A 77 50.519 1.296 56.074 1.00 0.00 H ATOM 341 N LEU A 78 50.497 -2.536 55.392 1.00 5.74 N ATOM 342 CA LEU A 78 50.201 -3.641 56.291 1.00 5.91 C ATOM 343 C LEU A 78 51.449 -4.452 56.604 1.00 5.59 C ATOM 344 O LEU A 78 52.409 -4.504 55.824 1.00 5.66 O ATOM 345 CB LEU A 78 49.127 -4.581 55.726 1.00 6.60 C ATOM 346 CG LEU A 78 47.728 -3.968 55.648 1.00 8.38 C ATOM 347 CD1 LEU A 78 46.813 -4.896 54.875 1.00 10.75 C ATOM 348 CD2 LEU A 78 47.165 -3.717 57.038 1.00 9.80 C ATOM 349 H LEU A 78 51.032 -2.722 54.520 1.00 0.00 H ATOM 350 N ILE A 79 51.403 -5.093 57.768 1.00 6.08 N ATOM 351 CA ILE A 79 52.407 -6.040 58.232 1.00 6.39 C ATOM 352 C ILE A 79 51.648 -7.280 58.683 1.00 6.67 C ATOM 353 O ILE A 79 50.711 -7.176 59.483 1.00 7.54 O ATOM 354 CB ILE A 79 53.193 -5.453 59.423 1.00 6.63 C ATOM 355 CG1 ILE A 79 53.862 -4.128 59.046 1.00 7.52 C ATOM 356 CG2 ILE A 79 54.225 -6.452 59.932 1.00 7.91 C ATOM 357 CD1 ILE A 79 54.432 -3.387 60.244 1.00 8.35 C ATOM 358 H ILE A 79 50.592 -4.905 58.391 1.00 0.00 H ATOM 359 N VAL A 80 52.043 -8.450 58.177 1.00 6.40 N ATOM 360 CA VAL A 80 51.340 -9.698 58.452 1.00 6.91 C ATOM 361 C VAL A 80 52.342 -10.730 58.946 1.00 7.74 C ATOM 362 O VAL A 80 53.346 -10.994 58.275 1.00 8.18 O ATOM 363 CB VAL A 80 50.634 -10.220 57.188 1.00 7.95 C ATOM 364 CG1 VAL A 80 49.905 -11.518 57.488 1.00 9.26 C ATOM 365 CG2 VAL A 80 49.672 -9.169 56.639 1.00 8.44 C ATOM 366 H VAL A 80 52.883 -8.473 57.564 1.00 0.00 H ATOM 367 N ARG A 81 52.068 -11.334 60.101 1.00 7.88 N ATOM 368 CA ARG A 81 52.864 -12.470 60.541 1.00 8.67 C ATOM 369 C ARG A 81 52.215 -13.740 60.008 1.00 8.97 C ATOM 370 O ARG A 81 51.025 -13.985 60.244 1.00 10.15 O ATOM 371 CB ARG A 81 53.027 -12.551 62.058 1.00 10.05 C ATOM 372 CG ARG A 81 53.904 -13.748 62.447 1.00 10.44 C ATOM 373 CD ARG A 81 54.104 -13.904 63.957 1.00 11.47 C ATOM 374 NE ARG A 81 52.880 -14.271 64.666 1.00 12.05 N ATOM 375 CZ ARG A 81 52.301 -15.468 64.611 1.00 12.17 C ATOM 376 NH1 ARG A 81 52.828 -16.449 63.884 1.00 11.86 N ATOM 377 NH2 ARG A 81 51.183 -15.685 65.291 1.00 13.63 N ATOM 378 HE ARG A 81 52.428 -13.544 65.257 1.00 0.00 H ATOM 379 HH12 ARG A 81 52.364 -17.379 63.851 1.00 0.00 H ATOM 380 HH11 ARG A 81 53.704 -16.286 63.348 1.00 0.00 H ATOM 381 HH22 ARG A 81 50.724 -16.618 65.253 1.00 0.00 H ATOM 382 HH21 ARG A 81 50.765 -14.923 65.862 1.00 0.00 H ATOM 383 H ARG A 81 51.282 -10.993 60.691 1.00 0.00 H ATOM 384 N ASP A 82 52.995 -14.534 59.283 1.00 8.46 N ATOM 385 CA ASP A 82 52.559 -15.817 58.744 1.00 9.18 C ATOM 386 C ASP A 82 53.491 -16.863 59.344 1.00 9.02 C ATOM 387 O ASP A 82 54.569 -17.125 58.804 1.00 9.17 O ATOM 388 CB ASP A 82 52.653 -15.796 57.221 1.00 9.76 C ATOM 389 CG ASP A 82 52.351 -17.140 56.601 1.00 11.13 C ATOM 390 OD1 ASP A 82 51.532 -17.892 57.171 1.00 12.19 O ATOM 391 OD2 ASP A 82 52.943 -17.451 55.550 1.00 12.64 O ATOM 392 H ASP A 82 53.969 -14.224 59.089 1.00 0.00 H ATOM 393 N GLY A 83 53.082 -17.445 60.469 1.00 9.75 N ATOM 394 CA GLY A 83 53.925 -18.431 61.127 1.00 10.51 C ATOM 395 C GLY A 83 55.212 -17.789 61.608 1.00 10.03 C ATOM 396 O GLY A 83 55.196 -16.819 62.378 1.00 10.91 O ATOM 397 H GLY A 83 52.159 -17.195 60.878 1.00 0.00 H ATOM 398 N GLY A 84 56.341 -18.311 61.130 1.00 9.94 N ATOM 399 CA GLY A 84 57.645 -17.808 61.522 1.00 9.82 C ATOM 400 C GLY A 84 58.237 -16.733 60.637 1.00 9.56 C ATOM 401 O GLY A 84 59.447 -16.495 60.671 1.00 10.29 O ATOM 402 H GLY A 84 56.286 -19.102 60.457 1.00 0.00 H ATOM 403 N ARG A 85 57.414 -16.056 59.846 1.00 9.44 N ATOM 404 CA ARG A 85 57.935 -14.990 59.007 1.00 9.82 C ATOM 405 C ARG A 85 56.923 -13.859 58.921 1.00 8.04 C ATOM 406 O ARG A 85 55.751 -14.000 59.293 1.00 8.97 O ATOM 407 CB ARG A 85 58.320 -15.505 57.626 1.00 11.38 C ATOM 408 CG ARG A 85 57.115 -15.810 56.814 1.00 11.12 C ATOM 409 CD ARG A 85 57.266 -17.023 55.879 1.00 13.44 C ATOM 410 NE ARG A 85 56.008 -17.141 55.162 1.00 12.67 N ATOM 411 CZ ARG A 85 55.837 -16.918 53.863 1.00 10.81 C ATOM 412 NH1 ARG A 85 56.862 -16.643 53.055 1.00 11.53 N ATOM 413 NH2 ARG A 85 54.617 -16.977 53.375 1.00 11.04 N ATOM 414 HE ARG A 85 55.171 -17.424 55.711 1.00 0.00 H ATOM 415 HH12 ARG A 85 56.695 -16.473 52.043 1.00 0.00 H ATOM 416 HH11 ARG A 85 57.828 -16.598 53.437 1.00 0.00 H ATOM 417 HH22 ARG A 85 54.453 -16.807 52.362 1.00 0.00 H ATOM 418 HH21 ARG A 85 53.816 -17.194 54.002 1.00 0.00 H ATOM 419 H ARG A 85 56.400 -16.287 59.827 1.00 0.00 H ATOM 420 N VAL A 86 57.407 -12.723 58.434 1.00 6.62 N ATOM 421 CA VAL A 86 56.614 -11.510 58.301 1.00 6.33 C ATOM 422 C VAL A 86 56.536 -11.117 56.830 1.00 6.45 C ATOM 423 O VAL A 86 57.516 -11.248 56.083 1.00 6.73 O ATOM 424 CB VAL A 86 57.212 -10.381 59.168 1.00 7.24 C ATOM 425 CG1 VAL A 86 56.470 -9.093 58.958 1.00 7.83 C ATOM 426 CG2 VAL A 86 57.154 -10.770 60.637 1.00 8.70 C ATOM 427 H VAL A 86 58.402 -12.699 58.133 1.00 0.00 H ATOM 428 N LEU A 87 55.358 -10.643 56.421 1.00 6.26 N ATOM 429 CA LEU A 87 55.101 -10.168 55.068 1.00 6.36 C ATOM 430 C LEU A 87 54.639 -8.721 55.159 1.00 5.97 C ATOM 431 O LEU A 87 53.847 -8.373 56.038 1.00 7.41 O ATOM 432 CB LEU A 87 53.986 -11.004 54.428 1.00 7.13 C ATOM 433 CG LEU A 87 54.048 -12.518 54.672 1.00 8.45 C ATOM 434 CD1 LEU A 87 52.791 -13.208 54.152 1.00 9.01 C ATOM 435 CD2 LEU A 87 55.302 -13.119 54.051 1.00 9.86 C ATOM 436 H LEU A 87 54.578 -10.611 57.108 1.00 0.00 H ATOM 437 N VAL A 88 55.129 -7.872 54.256 1.00 5.29 N ATOM 438 CA VAL A 88 54.819 -6.444 54.277 1.00 5.91 C ATOM 439 C VAL A 88 54.081 -6.060 53.003 1.00 5.06 C ATOM 440 O VAL A 88 54.419 -6.527 51.909 1.00 5.48 O ATOM 441 CB VAL A 88 56.094 -5.590 54.473 1.00 7.36 C ATOM 442 CG1 VAL A 88 55.833 -4.081 54.253 1.00 8.98 C ATOM 443 CG2 VAL A 88 56.689 -5.853 55.852 1.00 8.57 C ATOM 444 H VAL A 88 55.754 -8.239 53.510 1.00 0.00 H ATOM 445 N VAL A 89 53.064 -5.216 53.152 1.00 4.73 N ATOM 446 CA VAL A 89 52.362 -4.609 52.032 1.00 5.04 C ATOM 447 C VAL A 89 52.641 -3.113 52.084 1.00 4.64 C ATOM 448 O VAL A 89 52.252 -2.437 53.048 1.00 5.14 O ATOM 449 CB VAL A 89 50.849 -4.878 52.072 1.00 5.92 C ATOM 450 CG1 VAL A 89 50.184 -4.242 50.851 1.00 7.25 C ATOM 451 CG2 VAL A 89 50.570 -6.371 52.116 1.00 7.26 C ATOM 452 H VAL A 89 52.756 -4.978 54.116 1.00 0.00 H ATOM 453 N ASP A 90 53.326 -2.615 51.049 1.00 4.93 N ATOM 454 CA ASP A 90 53.693 -1.213 50.828 1.00 5.08 C ATOM 455 C ASP A 90 54.848 -0.748 51.697 1.00 5.18 C ATOM 456 O ASP A 90 54.968 -1.140 52.862 1.00 5.64 O ATOM 457 CB ASP A 90 52.490 -0.268 50.914 1.00 5.63 C ATOM 458 CG ASP A 90 51.552 -0.451 49.744 1.00 7.48 C ATOM 459 OD1 ASP A 90 52.007 -0.938 48.684 1.00 8.82 O ATOM 460 OD2 ASP A 90 50.362 -0.119 49.876 1.00 9.61 O ATOM 461 H ASP A 90 53.631 -3.295 50.323 1.00 0.00 H ATOM 462 N THR A 91 55.710 0.085 51.119 1.00 5.46 N ATOM 463 CA THR A 91 56.708 0.778 51.913 1.00 5.19 C ATOM 464 C THR A 91 56.062 1.974 52.604 1.00 5.28 C ATOM 465 O THR A 91 54.865 2.249 52.449 1.00 5.71 O ATOM 466 CB THR A 91 57.909 1.211 51.062 1.00 5.59 C ATOM 467 OG1 THR A 91 57.570 2.327 50.220 1.00 5.22 O ATOM 468 CG2 THR A 91 58.401 0.090 50.189 1.00 6.58 C ATOM 469 HG1 THR A 91 57.288 3.091 50.784 1.00 0.00 H ATOM 470 H THR A 91 55.668 0.240 50.092 1.00 0.00 H ATOM 471 N ALA A 92 56.865 2.676 53.402 1.00 5.95 N ATOM 472 CA ALA A 92 56.535 4.028 53.818 1.00 5.77 C ATOM 473 C ALA A 92 56.935 5.003 52.705 1.00 5.86 C ATOM 474 O ALA A 92 57.443 4.606 51.655 1.00 6.10 O ATOM 475 CB ALA A 92 57.241 4.355 55.132 1.00 6.57 C ATOM 476 H ALA A 92 57.751 2.245 53.736 1.00 0.00 H ATOM 477 N TRP A 93 56.731 6.304 52.939 1.00 5.88 N ATOM 478 CA TRP A 93 57.073 7.284 51.916 1.00 6.46 C ATOM 479 C TRP A 93 58.566 7.299 51.607 1.00 6.21 C ATOM 480 O TRP A 93 58.952 7.593 50.472 1.00 7.16 O ATOM 481 CB TRP A 93 56.676 8.687 52.356 1.00 6.76 C ATOM 482 CG TRP A 93 55.227 8.986 52.523 1.00 6.59 C ATOM 483 CD1 TRP A 93 54.510 8.909 53.687 1.00 7.11 C ATOM 484 CD2 TRP A 93 54.339 9.545 51.544 1.00 6.77 C ATOM 485 NE1 TRP A 93 53.221 9.343 53.482 1.00 7.64 N ATOM 486 CE2 TRP A 93 53.091 9.743 52.180 1.00 7.62 C ATOM 487 CE3 TRP A 93 54.470 9.884 50.193 1.00 7.84 C ATOM 488 CZ2 TRP A 93 51.989 10.272 51.517 1.00 8.95 C ATOM 489 CZ3 TRP A 93 53.364 10.422 49.534 1.00 8.51 C ATOM 490 CH2 TRP A 93 52.141 10.598 50.200 1.00 9.58 C ATOM 491 HE1 TRP A 93 52.468 9.364 54.199 1.00 0.00 H ATOM 492 H TRP A 93 56.330 6.615 53.847 1.00 0.00 H ATOM 493 N THR A 94 59.422 7.053 52.603 1.00 6.10 N ATOM 494 CA THR A 94 60.856 7.231 52.418 1.00 6.51 C ATOM 495 C THR A 94 61.623 5.994 52.865 1.00 5.88 C ATOM 496 O THR A 94 61.120 5.151 53.613 1.00 5.97 O ATOM 497 CB THR A 94 61.404 8.434 53.196 1.00 7.86 C ATOM 498 OG1 THR A 94 61.391 8.127 54.594 1.00 7.79 O ATOM 499 CG2 THR A 94 60.591 9.705 52.915 1.00 9.08 C ATOM 500 HG1 THR A 94 61.744 8.899 55.104 1.00 0.00 H ATOM 501 H THR A 94 59.060 6.730 53.523 1.00 0.00 H ATOM 502 N ASP A 95 62.882 5.929 52.427 1.00 6.54 N ATOM 503 CA ASP A 95 63.771 4.864 52.878 1.00 6.95 C ATOM 504 C ASP A 95 63.934 4.883 54.395 1.00 6.82 C ATOM 505 O ASP A 95 63.849 3.837 55.050 1.00 6.94 O ATOM 506 CB ASP A 95 65.139 5.011 52.214 1.00 8.04 C ATOM 507 CG ASP A 95 65.109 4.715 50.732 1.00 8.91 C ATOM 508 OD1 ASP A 95 64.354 3.820 50.307 1.00 9.37 O ATOM 509 OD2 ASP A 95 65.870 5.383 49.996 1.00 11.77 O ATOM 510 H ASP A 95 63.232 6.644 51.758 1.00 0.00 H ATOM 511 N ASP A 96 64.196 6.065 54.971 1.00 7.78 N ATOM 512 CA ASP A 96 64.405 6.130 56.416 1.00 8.78 C ATOM 513 C ASP A 96 63.168 5.658 57.175 1.00 7.76 C ATOM 514 O ASP A 96 63.280 4.925 58.164 1.00 7.93 O ATOM 515 CB ASP A 96 64.770 7.556 56.841 1.00 11.20 C ATOM 516 CG ASP A 96 66.192 7.950 56.461 1.00 15.11 C ATOM 517 OD1 ASP A 96 66.987 7.086 56.032 1.00 16.27 O ATOM 518 OD2 ASP A 96 66.510 9.145 56.609 1.00 17.89 O ATOM 519 H ASP A 96 64.250 6.929 54.394 1.00 0.00 H ATOM 520 N GLN A 97 61.978 6.067 56.727 1.00 7.44 N ATOM 521 CA GLN A 97 60.756 5.613 57.387 1.00 6.86 C ATOM 522 C GLN A 97 60.582 4.109 57.232 1.00 6.57 C ATOM 523 O GLN A 97 60.136 3.423 58.163 1.00 6.80 O ATOM 524 CB GLN A 97 59.539 6.327 56.804 1.00 6.89 C ATOM 525 CG GLN A 97 59.464 7.805 57.112 1.00 7.93 C ATOM 526 CD GLN A 97 58.456 8.503 56.225 1.00 8.27 C ATOM 527 OE1 GLN A 97 57.898 7.901 55.302 1.00 8.93 O ATOM 528 NE2 GLN A 97 58.223 9.781 56.490 1.00 10.05 N ATOM 529 HE22 GLN A 97 58.716 10.247 57.278 1.00 0.00 H ATOM 530 HE21 GLN A 97 57.547 10.317 55.910 1.00 0.00 H ATOM 531 H GLN A 97 61.921 6.708 55.910 1.00 0.00 H ATOM 532 N THR A 98 60.928 3.579 56.060 1.00 5.84 N ATOM 533 CA THR A 98 60.771 2.151 55.822 1.00 5.89 C ATOM 534 C THR A 98 61.734 1.345 56.687 1.00 5.93 C ATOM 535 O THR A 98 61.365 0.297 57.230 1.00 6.66 O ATOM 536 CB THR A 98 60.932 1.869 54.325 1.00 6.19 C ATOM 537 OG1 THR A 98 59.931 2.611 53.611 1.00 6.23 O ATOM 538 CG2 THR A 98 60.763 0.389 54.004 1.00 7.12 C ATOM 539 HG1 THR A 98 60.050 3.578 53.788 1.00 0.00 H ATOM 540 H THR A 98 61.313 4.189 55.310 1.00 0.00 H ATOM 541 N ALA A 99 62.966 1.833 56.855 1.00 6.18 N ATOM 542 CA ALA A 99 63.879 1.196 57.798 1.00 7.44 C ATOM 543 C ALA A 99 63.313 1.217 59.212 1.00 7.52 C ATOM 544 O ALA A 99 63.508 0.264 59.972 1.00 8.00 O ATOM 545 CB ALA A 99 65.251 1.863 57.736 1.00 8.79 C ATOM 546 H ALA A 99 63.274 2.666 56.314 1.00 0.00 H ATOM 547 N GLN A 100 62.582 2.279 59.576 1.00 7.85 N ATOM 548 CA GLN A 100 61.933 2.308 60.885 1.00 8.72 C ATOM 549 C GLN A 100 60.808 1.278 60.999 1.00 7.77 C ATOM 550 O GLN A 100 60.603 0.707 62.076 1.00 8.27 O ATOM 551 CB GLN A 100 61.440 3.714 61.216 1.00 11.49 C ATOM 552 CG GLN A 100 62.562 4.655 61.627 1.00 16.00 C ATOM 553 CD GLN A 100 63.548 4.004 62.583 1.00 19.32 C ATOM 554 OE1 GLN A 100 63.161 3.455 63.613 1.00 19.17 O ATOM 555 NE2 GLN A 100 64.831 4.052 62.233 1.00 21.65 N ATOM 556 HE22 GLN A 100 65.112 4.528 61.352 1.00 0.00 H ATOM 557 HE21 GLN A 100 65.552 3.614 62.841 1.00 0.00 H ATOM 558 H GLN A 100 62.476 3.084 58.926 1.00 0.00 H ATOM 559 N ILE A 101 60.053 1.034 59.920 1.00 6.83 N ATOM 560 CA ILE A 101 59.106 -0.083 59.937 1.00 7.34 C ATOM 561 C ILE A 101 59.829 -1.380 60.269 1.00 6.90 C ATOM 562 O ILE A 101 59.365 -2.180 61.089 1.00 6.62 O ATOM 563 CB ILE A 101 58.355 -0.199 58.597 1.00 7.56 C ATOM 564 CG1 ILE A 101 57.457 1.013 58.357 1.00 8.73 C ATOM 565 CG2 ILE A 101 57.538 -1.494 58.579 1.00 8.55 C ATOM 566 CD1 ILE A 101 56.830 1.050 56.976 1.00 9.62 C ATOM 567 H ILE A 101 60.139 1.634 59.075 1.00 0.00 H ATOM 568 N LEU A 102 60.969 -1.618 59.617 1.00 6.36 N ATOM 569 CA LEU A 102 61.703 -2.852 59.863 1.00 6.90 C ATOM 570 C LEU A 102 62.206 -2.913 61.300 1.00 7.20 C ATOM 571 O LEU A 102 62.233 -3.993 61.906 1.00 7.71 O ATOM 572 CB LEU A 102 62.830 -3.018 58.840 1.00 7.13 C ATOM 573 CG LEU A 102 62.367 -3.020 57.375 1.00 7.33 C ATOM 574 CD1 LEU A 102 63.567 -3.139 56.448 1.00 8.14 C ATOM 575 CD2 LEU A 102 61.360 -4.147 57.122 1.00 7.84 C ATOM 576 H LEU A 102 61.333 -0.923 58.934 1.00 0.00 H ATOM 577 N ASN A 103 62.593 -1.767 61.866 1.00 7.81 N ATOM 578 CA ASN A 103 63.002 -1.740 63.266 1.00 8.89 C ATOM 579 C ASN A 103 61.835 -2.079 64.184 1.00 8.75 C ATOM 580 O ASN A 103 61.991 -2.854 65.135 1.00 9.04 O ATOM 581 CB ASN A 103 63.571 -0.365 63.616 1.00 10.21 C ATOM 582 CG ASN A 103 64.846 -0.048 62.863 1.00 12.07 C ATOM 583 OD1 ASN A 103 65.539 -0.943 62.382 1.00 13.16 O ATOM 584 ND2 ASN A 103 65.160 1.236 62.753 1.00 12.51 N ATOM 585 HD22 ASN A 103 64.544 1.960 63.176 1.00 0.00 H ATOM 586 HD21 ASN A 103 66.022 1.519 62.244 1.00 0.00 H ATOM 587 H ASN A 103 62.603 -0.890 61.307 1.00 0.00 H ATOM 588 N TRP A 104 60.656 -1.512 63.914 1.00 8.27 N ATOM 589 CA TRP A 104 59.481 -1.854 64.711 1.00 8.19 C ATOM 590 C TRP A 104 59.183 -3.346 64.624 1.00 7.99 C ATOM 591 O TRP A 104 58.881 -3.994 65.634 1.00 8.08 O ATOM 592 CB TRP A 104 58.274 -1.033 64.245 1.00 8.68 C ATOM 593 CG TRP A 104 57.012 -1.320 65.020 1.00 9.06 C ATOM 594 CD1 TRP A 104 56.554 -0.648 66.121 1.00 10.61 C ATOM 595 CD2 TRP A 104 56.053 -2.355 64.756 1.00 9.30 C ATOM 596 NE1 TRP A 104 55.374 -1.199 66.553 1.00 11.22 N ATOM 597 CE2 TRP A 104 55.044 -2.250 65.738 1.00 10.24 C ATOM 598 CE3 TRP A 104 55.950 -3.362 63.790 1.00 9.74 C ATOM 599 CZ2 TRP A 104 53.945 -3.115 65.783 1.00 10.98 C ATOM 600 CZ3 TRP A 104 54.857 -4.221 63.839 1.00 10.82 C ATOM 601 CH2 TRP A 104 53.873 -4.091 64.828 1.00 11.57 C ATOM 602 HE1 TRP A 104 54.819 -0.871 67.369 1.00 0.00 H ATOM 603 H TRP A 104 60.575 -0.827 63.136 1.00 0.00 H ATOM 604 N ILE A 105 59.282 -3.916 63.421 1.00 7.50 N ATOM 605 CA ILE A 105 59.057 -5.350 63.262 1.00 7.54 C ATOM 606 C ILE A 105 60.046 -6.147 64.100 1.00 8.28 C ATOM 607 O ILE A 105 59.675 -7.124 64.766 1.00 8.13 O ATOM 608 CB ILE A 105 59.120 -5.746 61.776 1.00 7.56 C ATOM 609 CG1 ILE A 105 57.922 -5.162 61.026 1.00 7.47 C ATOM 610 CG2 ILE A 105 59.161 -7.267 61.617 1.00 7.80 C ATOM 611 CD1 ILE A 105 58.020 -5.295 59.507 1.00 7.19 C ATOM 612 H ILE A 105 59.521 -3.335 62.592 1.00 0.00 H ATOM 613 N LYS A 106 61.322 -5.753 64.069 1.00 8.23 N ATOM 614 CA LYS A 106 62.331 -6.433 64.872 1.00 9.37 C ATOM 615 C LYS A 106 61.960 -6.415 66.350 1.00 9.51 C ATOM 616 O LYS A 106 62.046 -7.443 67.033 1.00 9.68 O ATOM 617 CB LYS A 106 63.692 -5.776 64.646 1.00 10.72 C ATOM 618 CG LYS A 106 64.770 -6.232 65.611 1.00 12.60 C ATOM 619 CD LYS A 106 65.062 -7.705 65.437 1.00 14.83 C ATOM 620 CE LYS A 106 66.148 -8.165 66.394 1.00 16.27 C ATOM 621 NZ LYS A 106 66.512 -9.596 66.192 1.00 17.62 N ATOM 622 HZ1 LYS A 106 65.673 -10.191 66.346 1.00 0.00 H ATOM 623 HZ2 LYS A 106 66.860 -9.730 65.221 1.00 0.00 H ATOM 624 HZ3 LYS A 106 67.256 -9.862 66.868 1.00 0.00 H ATOM 625 H LYS A 106 61.599 -4.952 63.465 1.00 0.00 H ATOM 626 N GLN A 107 61.520 -5.262 66.854 1.00 9.92 N ATOM 627 CA GLN A 107 61.263 -5.118 68.282 1.00 11.27 C ATOM 628 C GLN A 107 59.934 -5.732 68.709 1.00 11.29 C ATOM 629 O GLN A 107 59.824 -6.218 69.841 1.00 12.52 O ATOM 630 CB GLN A 107 61.316 -3.640 68.670 1.00 12.39 C ATOM 631 CG GLN A 107 62.660 -2.974 68.386 1.00 13.31 C ATOM 632 CD GLN A 107 62.753 -1.571 68.963 1.00 14.94 C ATOM 633 OE1 GLN A 107 62.222 -1.292 70.036 1.00 16.43 O ATOM 634 NE2 GLN A 107 63.431 -0.681 68.250 1.00 15.45 N ATOM 635 HE22 GLN A 107 63.865 -0.960 67.347 1.00 0.00 H ATOM 636 HE21 GLN A 107 63.529 0.295 68.594 1.00 0.00 H ATOM 637 H GLN A 107 61.358 -4.454 66.220 1.00 0.00 H ATOM 638 N GLU A 108 58.917 -5.716 67.840 1.00 10.65 N ATOM 639 CA GLU A 108 57.578 -6.142 68.234 1.00 11.54 C ATOM 640 C GLU A 108 57.170 -7.510 67.711 1.00 11.25 C ATOM 641 O GLU A 108 56.205 -8.084 68.227 1.00 13.64 O ATOM 642 CB GLU A 108 56.540 -5.101 67.807 1.00 13.39 C ATOM 643 CG GLU A 108 56.763 -3.721 68.416 1.00 16.77 C ATOM 644 CD GLU A 108 56.366 -3.636 69.882 1.00 20.90 C ATOM 645 OE1 GLU A 108 55.812 -4.616 70.427 1.00 22.50 O ATOM 646 OE2 GLU A 108 56.597 -2.572 70.489 1.00 23.15 O ATOM 647 H GLU A 108 59.084 -5.394 66.865 1.00 0.00 H ATOM 648 N ILE A 109 57.862 -8.039 66.702 1.00 9.50 N ATOM 649 CA ILE A 109 57.594 -9.368 66.172 1.00 9.44 C ATOM 650 C ILE A 109 58.833 -10.251 66.207 1.00 9.64 C ATOM 651 O ILE A 109 58.754 -11.423 66.589 1.00 10.25 O ATOM 652 CB ILE A 109 56.984 -9.323 64.750 1.00 9.19 C ATOM 653 CG1 ILE A 109 55.744 -8.424 64.724 1.00 9.91 C ATOM 654 CG2 ILE A 109 56.648 -10.737 64.270 1.00 10.57 C ATOM 655 CD1 ILE A 109 55.205 -8.151 63.321 1.00 10.51 C ATOM 656 H ILE A 109 58.626 -7.478 66.275 1.00 0.00 H ATOM 657 N ASN A 110 59.988 -9.714 65.812 1.00 9.50 N ATOM 658 CA ASN A 110 61.264 -10.421 65.925 1.00 10.11 C ATOM 659 C ASN A 110 61.295 -11.706 65.096 1.00 9.59 C ATOM 660 O ASN A 110 61.737 -12.762 65.561 1.00 10.33 O ATOM 661 CB ASN A 110 61.638 -10.686 67.384 1.00 11.77 C ATOM 662 CG ASN A 110 63.074 -11.107 67.536 1.00 13.28 C ATOM 663 OD1 ASN A 110 63.928 -10.735 66.728 1.00 13.72 O ATOM 664 ND2 ASN A 110 63.357 -11.895 68.570 1.00 14.57 N ATOM 665 HD22 ASN A 110 62.603 -12.183 69.226 1.00 0.00 H ATOM 666 HD21 ASN A 110 64.332 -12.223 68.722 1.00 0.00 H ATOM 667 H ASN A 110 59.982 -8.756 65.408 1.00 0.00 H ATOM 668 N LEU A 111 60.831 -11.603 63.854 1.00 9.73 N ATOM 669 CA LEU A 111 60.906 -12.672 62.873 1.00 9.90 C ATOM 670 C LEU A 111 61.351 -12.061 61.552 1.00 9.82 C ATOM 671 O LEU A 111 61.137 -10.865 61.314 1.00 9.56 O ATOM 672 CB LEU A 111 59.534 -13.340 62.696 1.00 10.46 C ATOM 673 CG LEU A 111 59.041 -14.161 63.891 1.00 10.49 C ATOM 674 CD1 LEU A 111 57.589 -14.541 63.672 1.00 11.01 C ATOM 675 CD2 LEU A 111 59.889 -15.403 64.105 1.00 11.50 C ATOM 676 H LEU A 111 60.389 -10.706 63.569 1.00 0.00 H ATOM 677 N PRO A 112 61.972 -12.849 60.677 1.00 9.78 N ATOM 678 CA PRO A 112 62.455 -12.300 59.404 1.00 9.85 C ATOM 679 C PRO A 112 61.305 -11.848 58.519 1.00 8.30 C ATOM 680 O PRO A 112 60.231 -12.451 58.505 1.00 9.05 O ATOM 681 CB PRO A 112 63.195 -13.483 58.766 1.00 11.61 C ATOM 682 CG PRO A 112 62.640 -14.706 59.451 1.00 13.72 C ATOM 683 CD PRO A 112 62.321 -14.272 60.845 1.00 11.69 C ATOM 684 N VAL A 113 61.540 -10.775 57.768 1.00 8.06 N ATOM 685 CA VAL A 113 60.581 -10.299 56.777 1.00 7.73 C ATOM 686 C VAL A 113 60.878 -11.033 55.474 1.00 7.34 C ATOM 687 O VAL A 113 61.892 -10.777 54.815 1.00 9.04 O ATOM 688 CB VAL A 113 60.651 -8.777 56.601 1.00 8.14 C ATOM 689 CG1 VAL A 113 59.665 -8.320 55.528 1.00 8.57 C ATOM 690 CG2 VAL A 113 60.372 -8.080 57.928 1.00 8.93 C ATOM 691 H VAL A 113 62.435 -10.260 57.891 1.00 0.00 H ATOM 692 N ALA A 114 59.994 -11.960 55.105 1.00 6.91 N ATOM 693 CA ALA A 114 60.251 -12.819 53.957 1.00 7.33 C ATOM 694 C ALA A 114 60.056 -12.105 52.631 1.00 7.40 C ATOM 695 O ALA A 114 60.725 -12.456 51.655 1.00 9.12 O ATOM 696 CB ALA A 114 59.340 -14.043 53.997 1.00 8.21 C ATOM 697 H ALA A 114 59.111 -12.071 55.643 1.00 0.00 H ATOM 698 N LEU A 115 59.129 -11.155 52.559 1.00 6.01 N ATOM 699 CA LEU A 115 58.866 -10.473 51.299 1.00 6.38 C ATOM 700 C LEU A 115 58.039 -9.232 51.574 1.00 5.92 C ATOM 701 O LEU A 115 57.390 -9.103 52.618 1.00 5.87 O ATOM 702 CB LEU A 115 58.134 -11.375 50.301 1.00 7.77 C ATOM 703 CG LEU A 115 56.749 -11.886 50.711 1.00 9.69 C ATOM 704 CD1 LEU A 115 55.621 -10.972 50.229 1.00 10.56 C ATOM 705 CD2 LEU A 115 56.539 -13.297 50.190 1.00 12.16 C ATOM 706 H LEU A 115 58.588 -10.897 53.409 1.00 0.00 H ATOM 707 N ALA A 116 58.048 -8.340 50.591 1.00 5.56 N ATOM 708 CA ALA A 116 57.165 -7.190 50.553 1.00 5.41 C ATOM 709 C ALA A 116 56.536 -7.116 49.175 1.00 5.34 C ATOM 710 O ALA A 116 57.201 -7.383 48.167 1.00 6.46 O ATOM 711 CB ALA A 116 57.940 -5.901 50.818 1.00 6.76 C ATOM 712 H ALA A 116 58.721 -8.472 49.810 1.00 0.00 H ATOM 713 N VAL A 117 55.263 -6.737 49.133 1.00 5.40 N ATOM 714 CA VAL A 117 54.574 -6.430 47.887 1.00 5.28 C ATOM 715 C VAL A 117 54.106 -4.983 47.957 1.00 5.15 C ATOM 716 O VAL A 117 53.619 -4.530 48.997 1.00 5.82 O ATOM 717 CB VAL A 117 53.411 -7.411 47.616 1.00 6.80 C ATOM 718 CG1 VAL A 117 52.392 -7.431 48.760 1.00 7.27 C ATOM 719 CG2 VAL A 117 52.746 -7.102 46.286 1.00 7.86 C ATOM 720 H VAL A 117 54.737 -6.656 50.027 1.00 0.00 H ATOM 721 N VAL A 118 54.279 -4.251 46.864 1.00 4.83 N ATOM 722 CA VAL A 118 53.935 -2.836 46.812 1.00 5.32 C ATOM 723 C VAL A 118 52.865 -2.647 45.749 1.00 5.44 C ATOM 724 O VAL A 118 52.855 -3.353 44.734 1.00 6.28 O ATOM 725 CB VAL A 118 55.176 -1.949 46.571 1.00 7.32 C ATOM 726 CG1 VAL A 118 56.178 -2.123 47.703 1.00 8.82 C ATOM 727 CG2 VAL A 118 55.810 -2.272 45.244 1.00 9.11 C ATOM 728 H VAL A 118 54.674 -4.703 46.015 1.00 0.00 H ATOM 729 N THR A 119 51.953 -1.694 45.986 1.00 5.54 N ATOM 730 CA THR A 119 50.665 -1.738 45.302 1.00 5.53 C ATOM 731 C THR A 119 50.485 -0.740 44.160 1.00 5.52 C ATOM 732 O THR A 119 49.489 -0.850 43.441 1.00 6.94 O ATOM 733 CB THR A 119 49.482 -1.703 46.290 1.00 6.46 C ATOM 734 OG1 THR A 119 49.497 -0.486 47.037 1.00 6.59 O ATOM 735 CG2 THR A 119 49.525 -2.909 47.242 1.00 7.96 C ATOM 736 HG1 THR A 119 50.345 -0.422 47.544 1.00 0.00 H ATOM 737 H THR A 119 52.163 -0.926 46.655 1.00 0.00 H ATOM 738 N HIS A 120 51.412 0.199 43.958 1.00 5.28 N ATOM 739 CA HIS A 120 51.528 0.953 42.706 1.00 6.28 C ATOM 740 C HIS A 120 52.757 1.852 42.791 1.00 5.69 C ATOM 741 O HIS A 120 53.344 2.029 43.861 1.00 6.11 O ATOM 742 CB HIS A 120 50.276 1.753 42.283 1.00 6.67 C ATOM 743 CG HIS A 120 49.904 2.879 43.199 1.00 6.65 C ATOM 744 ND1 HIS A 120 49.142 2.698 44.334 1.00 7.69 N ATOM 745 CD2 HIS A 120 50.148 4.210 43.118 1.00 7.06 C ATOM 746 CE1 HIS A 120 48.945 3.868 44.919 1.00 7.64 C ATOM 747 NE2 HIS A 120 49.546 4.802 44.203 1.00 7.32 N ATOM 748 H HIS A 120 52.084 0.405 44.725 1.00 0.00 H ATOM 749 N ALA A 121 53.111 2.446 41.650 1.00 5.81 N ATOM 750 CA ALA A 121 54.356 3.205 41.500 1.00 6.86 C ATOM 751 C ALA A 121 54.188 4.687 41.853 1.00 6.10 C ATOM 752 O ALA A 121 54.478 5.578 41.056 1.00 7.27 O ATOM 753 CB ALA A 121 54.905 3.035 40.088 1.00 7.81 C ATOM 754 H ALA A 121 52.475 2.367 40.831 1.00 0.00 H ATOM 755 N HIS A 122 53.747 4.942 43.085 1.00 5.77 N ATOM 756 CA HIS A 122 53.809 6.269 43.687 1.00 5.74 C ATOM 757 C HIS A 122 54.619 6.183 44.976 1.00 5.18 C ATOM 758 O HIS A 122 54.785 5.102 45.554 1.00 5.78 O ATOM 759 CB HIS A 122 52.406 6.817 44.012 1.00 6.31 C ATOM 760 CG HIS A 122 51.663 7.388 42.838 1.00 7.83 C ATOM 761 ND1 HIS A 122 50.287 7.508 42.822 1.00 8.18 N ATOM 762 CD2 HIS A 122 52.096 7.908 41.666 1.00 8.67 C ATOM 763 CE1 HIS A 122 49.906 8.076 41.692 1.00 9.05 C ATOM 764 NE2 HIS A 122 50.983 8.323 40.968 1.00 9.62 N ATOM 765 H HIS A 122 53.342 4.162 43.640 1.00 0.00 H ATOM 766 N GLN A 123 55.098 7.346 45.439 1.00 5.41 N ATOM 767 CA GLN A 123 56.048 7.399 46.549 1.00 5.79 C ATOM 768 C GLN A 123 55.486 6.817 47.842 1.00 5.43 C ATOM 769 O GLN A 123 56.240 6.246 48.642 1.00 6.26 O ATOM 770 CB GLN A 123 56.499 8.840 46.781 1.00 7.15 C ATOM 771 CG GLN A 123 57.661 8.911 47.759 1.00 8.37 C ATOM 772 CD GLN A 123 58.031 10.306 48.154 1.00 10.93 C ATOM 773 OE1 GLN A 123 57.540 11.277 47.584 1.00 12.43 O ATOM 774 NE2 GLN A 123 58.901 10.421 49.149 1.00 12.52 N ATOM 775 HE22 GLN A 123 59.290 9.569 49.601 1.00 0.00 H ATOM 776 HE21 GLN A 123 59.194 11.363 49.477 1.00 0.00 H ATOM 777 H GLN A 123 54.786 8.234 44.997 1.00 0.00 H ATOM 778 N ASP A 124 54.219 7.009 48.106 1.00 5.27 N ATOM 779 CA ASP A 124 53.634 6.524 49.377 1.00 6.36 C ATOM 780 C ASP A 124 53.732 4.985 49.495 1.00 5.93 C ATOM 781 O ASP A 124 53.713 4.443 50.559 1.00 7.11 O ATOM 782 CB ASP A 124 52.191 7.023 49.656 1.00 7.80 C ATOM 783 CG ASP A 124 51.209 6.894 48.449 1.00 10.28 C ATOM 784 OD1 ASP A 124 51.588 6.746 47.378 1.00 10.04 O ATOM 785 OD2 ASP A 124 50.004 6.981 48.701 1.00 12.27 O ATOM 786 H ASP A 124 53.618 7.506 47.418 1.00 0.00 H ATOM 787 N LYS A 125 53.748 4.322 48.323 1.00 5.75 N ATOM 788 CA LYS A 125 53.752 2.822 48.307 1.00 6.11 C ATOM 789 C LYS A 125 55.111 2.177 47.921 1.00 5.28 C ATOM 790 O LYS A 125 55.402 1.034 48.358 1.00 5.82 O ATOM 791 CB LYS A 125 52.736 2.295 47.219 1.00 7.66 C ATOM 792 CG LYS A 125 51.397 3.042 47.155 1.00 8.99 C ATOM 793 CD LYS A 125 50.432 2.588 48.229 1.00 9.18 C ATOM 794 CE LYS A 125 50.725 3.158 49.617 1.00 9.06 C ATOM 795 NZ LYS A 125 49.798 2.584 50.641 1.00 9.79 N ATOM 796 HZ1 LYS A 125 48.816 2.815 50.386 1.00 0.00 H ATOM 797 HZ2 LYS A 125 49.916 1.551 50.673 1.00 0.00 H ATOM 798 HZ3 LYS A 125 50.020 2.989 51.573 1.00 0.00 H ATOM 799 H LYS A 125 53.758 4.851 47.428 1.00 0.00 H ATOM 800 N MET A 126 55.965 2.941 47.214 1.00 5.81 N ATOM 801 CA MET A 126 57.237 2.398 46.758 1.00 6.36 C ATOM 802 C MET A 126 58.441 3.238 47.157 1.00 6.02 C ATOM 803 O MET A 126 59.573 2.856 46.837 1.00 6.46 O ATOM 804 CB MET A 126 57.245 2.204 45.233 1.00 6.39 C ATOM 805 CG MET A 126 56.333 1.107 44.770 1.00 6.67 C ATOM 806 SD MET A 126 56.381 0.749 43.002 1.00 6.76 S ATOM 807 CE MET A 126 57.960 -0.093 42.820 1.00 6.68 C ATOM 808 H MET A 126 55.715 3.926 46.992 1.00 0.00 H ATOM 809 N GLY A 127 58.238 4.361 47.845 1.00 6.16 N ATOM 810 CA GLY A 127 59.339 5.264 48.128 1.00 6.78 C ATOM 811 C GLY A 127 60.461 4.661 48.946 1.00 6.56 C ATOM 812 O GLY A 127 61.577 5.188 48.920 1.00 7.76 O ATOM 813 H GLY A 127 57.282 4.593 48.182 1.00 0.00 H ATOM 814 N GLY A 128 60.199 3.572 49.667 1.00 5.87 N ATOM 815 CA GLY A 128 61.198 2.964 50.524 1.00 5.77 C ATOM 816 C GLY A 128 61.794 1.680 49.981 1.00 6.62 C ATOM 817 O GLY A 128 62.358 0.893 50.746 1.00 6.66 O ATOM 818 H GLY A 128 59.252 3.146 49.614 1.00 0.00 H ATOM 819 N MET A 129 61.701 1.464 48.661 1.00 6.12 N ATOM 820 CA MET A 129 62.199 0.223 48.073 1.00 6.42 C ATOM 821 C MET A 129 63.664 -0.033 48.423 1.00 6.56 C ATOM 822 O MET A 129 64.045 -1.168 48.738 1.00 7.60 O ATOM 823 CB MET A 129 62.011 0.270 46.558 1.00 6.66 C ATOM 824 CG MET A 129 62.272 -1.049 45.877 1.00 7.17 C ATOM 825 SD MET A 129 61.131 -2.340 46.371 1.00 7.48 S ATOM 826 CE MET A 129 59.632 -1.758 45.582 1.00 8.40 C ATOM 827 H MET A 129 61.270 2.187 48.050 1.00 0.00 H ATOM 828 N ASP A 130 64.508 1.002 48.357 1.00 6.57 N ATOM 829 CA ASP A 130 65.932 0.809 48.642 1.00 7.18 C ATOM 830 C ASP A 130 66.156 0.275 50.053 1.00 7.31 C ATOM 831 O ASP A 130 67.059 -0.537 50.273 1.00 7.40 O ATOM 832 CB ASP A 130 66.719 2.111 48.434 1.00 8.38 C ATOM 833 CG ASP A 130 67.233 2.296 46.995 1.00 9.55 C ATOM 834 OD1 ASP A 130 67.246 1.333 46.210 1.00 11.00 O ATOM 835 OD2 ASP A 130 67.636 3.430 46.647 1.00 11.12 O ATOM 836 H ASP A 130 64.153 1.946 48.103 1.00 0.00 H ATOM 837 N ALA A 131 65.355 0.725 51.026 1.00 7.30 N ATOM 838 CA ALA A 131 65.499 0.226 52.392 1.00 7.13 C ATOM 839 C ALA A 131 65.178 -1.260 52.480 1.00 6.52 C ATOM 840 O ALA A 131 65.841 -2.003 53.213 1.00 7.29 O ATOM 841 CB ALA A 131 64.621 1.025 53.352 1.00 7.34 C ATOM 842 H ALA A 131 64.626 1.434 50.809 1.00 0.00 H ATOM 843 N LEU A 132 64.160 -1.712 51.747 1.00 6.36 N ATOM 844 CA LEU A 132 63.864 -3.139 51.716 1.00 7.17 C ATOM 845 C LEU A 132 65.008 -3.922 51.091 1.00 7.00 C ATOM 846 O LEU A 132 65.396 -4.982 51.599 1.00 7.59 O ATOM 847 CB LEU A 132 62.570 -3.391 50.943 1.00 7.50 C ATOM 848 CG LEU A 132 61.298 -2.765 51.511 1.00 7.55 C ATOM 849 CD1 LEU A 132 60.117 -3.096 50.611 1.00 8.21 C ATOM 850 CD2 LEU A 132 61.035 -3.205 52.943 1.00 8.74 C ATOM 851 H LEU A 132 63.578 -1.047 51.198 1.00 0.00 H ATOM 852 N HIS A 133 65.573 -3.410 49.999 1.00 6.94 N ATOM 853 CA HIS A 133 66.677 -4.103 49.349 1.00 7.42 C ATOM 854 C HIS A 133 67.914 -4.126 50.230 1.00 7.58 C ATOM 855 O HIS A 133 68.602 -5.150 50.312 1.00 8.61 O ATOM 856 CB HIS A 133 66.953 -3.460 47.996 1.00 7.68 C ATOM 857 CG HIS A 133 65.822 -3.624 47.038 1.00 8.48 C ATOM 858 ND1 HIS A 133 65.728 -2.920 45.857 1.00 9.08 N ATOM 859 CD2 HIS A 133 64.728 -4.419 47.093 1.00 8.74 C ATOM 860 CE1 HIS A 133 64.630 -3.286 45.219 1.00 9.46 C ATOM 861 NE2 HIS A 133 64.002 -4.188 45.953 1.00 8.85 N ATOM 862 H HIS A 133 65.224 -2.511 49.609 1.00 0.00 H ATOM 863 N ALA A 134 68.203 -3.014 50.909 1.00 7.70 N ATOM 864 CA ALA A 134 69.339 -2.989 51.825 1.00 8.19 C ATOM 865 C ALA A 134 69.187 -4.020 52.934 1.00 8.32 C ATOM 866 O ALA A 134 70.186 -4.576 53.406 1.00 9.69 O ATOM 867 CB ALA A 134 69.490 -1.590 52.418 1.00 8.83 C ATOM 868 H ALA A 134 67.617 -2.163 50.785 1.00 0.00 H ATOM 869 N ALA A 135 67.949 -4.292 53.352 1.00 7.77 N ATOM 870 CA ALA A 135 67.653 -5.270 54.388 1.00 8.46 C ATOM 871 C ALA A 135 67.624 -6.703 53.874 1.00 8.27 C ATOM 872 O ALA A 135 67.420 -7.623 54.676 1.00 9.17 O ATOM 873 CB ALA A 135 66.312 -4.934 55.047 1.00 8.95 C ATOM 874 H ALA A 135 67.156 -3.779 52.916 1.00 0.00 H ATOM 875 N GLY A 136 67.800 -6.920 52.571 1.00 8.34 N ATOM 876 CA GLY A 136 67.780 -8.266 52.029 1.00 8.70 C ATOM 877 C GLY A 136 66.405 -8.853 51.812 1.00 8.20 C ATOM 878 O GLY A 136 66.272 -10.080 51.740 1.00 9.99 O ATOM 879 H GLY A 136 67.954 -6.113 51.933 1.00 0.00 H ATOM 880 N ILE A 137 65.373 -8.023 51.684 1.00 7.41 N ATOM 881 CA ILE A 137 63.994 -8.499 51.587 1.00 7.17 C ATOM 882 C ILE A 137 63.598 -8.622 50.120 1.00 7.30 C ATOM 883 O ILE A 137 63.793 -7.690 49.332 1.00 8.50 O ATOM 884 CB ILE A 137 63.042 -7.560 52.351 1.00 7.47 C ATOM 885 CG1 ILE A 137 63.388 -7.559 53.846 1.00 8.05 C ATOM 886 CG2 ILE A 137 61.581 -7.938 52.119 1.00 7.58 C ATOM 887 CD1 ILE A 137 62.813 -6.401 54.621 1.00 8.53 C ATOM 888 H ILE A 137 65.554 -6.999 51.652 1.00 0.00 H ATOM 889 N ALA A 138 63.030 -9.770 49.754 1.00 7.15 N ATOM 890 CA ALA A 138 62.525 -9.974 48.401 1.00 7.27 C ATOM 891 C ALA A 138 61.312 -9.085 48.157 1.00 6.96 C ATOM 892 O ALA A 138 60.385 -9.053 48.972 1.00 7.28 O ATOM 893 CB ALA A 138 62.108 -11.431 48.235 1.00 7.91 C ATOM 894 H ALA A 138 62.945 -10.539 50.449 1.00 0.00 H ATOM 895 N THR A 139 61.301 -8.381 47.025 1.00 6.30 N ATOM 896 CA THR A 139 60.265 -7.395 46.747 1.00 6.40 C ATOM 897 C THR A 139 59.533 -7.703 45.453 1.00 5.74 C ATOM 898 O THR A 139 60.132 -8.166 44.477 1.00 6.07 O ATOM 899 CB THR A 139 60.844 -5.983 46.689 1.00 7.18 C ATOM 900 OG1 THR A 139 61.901 -5.936 45.722 1.00 8.04 O ATOM 901 CG2 THR A 139 61.369 -5.580 48.059 1.00 8.49 C ATOM 902 HG1 THR A 139 62.274 -5.020 45.687 1.00 0.00 H ATOM 903 H THR A 139 62.051 -8.540 46.322 1.00 0.00 H ATOM 904 N TYR A 140 58.232 -7.418 45.460 1.00 5.12 N ATOM 905 CA TYR A 140 57.310 -7.746 44.382 1.00 5.47 C ATOM 906 C TYR A 140 56.427 -6.550 44.074 1.00 5.27 C ATOM 907 O TYR A 140 55.985 -5.840 44.983 1.00 5.87 O ATOM 908 CB TYR A 140 56.402 -8.907 44.799 1.00 5.89 C ATOM 909 CG TYR A 140 57.188 -10.173 45.048 1.00 5.79 C ATOM 910 CD1 TYR A 140 57.827 -10.384 46.263 1.00 6.21 C ATOM 911 CD2 TYR A 140 57.324 -11.141 44.059 1.00 6.29 C ATOM 912 CE1 TYR A 140 58.593 -11.519 46.486 1.00 6.71 C ATOM 913 CE2 TYR A 140 58.087 -12.281 44.270 1.00 6.60 C ATOM 914 CZ TYR A 140 58.717 -12.465 45.489 1.00 7.08 C ATOM 915 OH TYR A 140 59.479 -13.586 45.722 1.00 8.97 O ATOM 916 HH TYR A 140 60.221 -13.621 45.067 1.00 0.00 H ATOM 917 H TYR A 140 57.848 -6.927 46.293 1.00 0.00 H ATOM 918 N ALA A 141 56.138 -6.355 42.791 1.00 5.01 N ATOM 919 CA ALA A 141 55.190 -5.337 42.358 1.00 5.71 C ATOM 920 C ALA A 141 54.594 -5.805 41.042 1.00 5.65 C ATOM 921 O ALA A 141 55.190 -6.616 40.331 1.00 6.15 O ATOM 922 CB ALA A 141 55.873 -3.980 42.142 1.00 6.25 C ATOM 923 H ALA A 141 56.603 -6.948 42.074 1.00 0.00 H ATOM 924 N ASN A 142 53.421 -5.278 40.707 1.00 5.84 N ATOM 925 CA ASN A 142 52.892 -5.422 39.353 1.00 6.37 C ATOM 926 C ASN A 142 53.996 -5.111 38.340 1.00 6.15 C ATOM 927 O ASN A 142 54.717 -4.120 38.478 1.00 6.25 O ATOM 928 CB ASN A 142 51.734 -4.422 39.216 1.00 6.83 C ATOM 929 CG ASN A 142 50.964 -4.527 37.903 1.00 7.69 C ATOM 930 OD1 ASN A 142 51.358 -5.208 36.961 1.00 8.71 O ATOM 931 ND2 ASN A 142 49.846 -3.812 37.841 1.00 7.97 N ATOM 932 HD22 ASN A 142 49.544 -3.247 38.660 1.00 0.00 H ATOM 933 HD21 ASN A 142 49.273 -3.817 36.973 1.00 0.00 H ATOM 934 H ASN A 142 52.872 -4.756 41.419 1.00 0.00 H ATOM 935 N ALA A 143 54.127 -5.963 37.317 1.00 6.57 N ATOM 936 CA ALA A 143 55.065 -5.689 36.230 1.00 7.71 C ATOM 937 C ALA A 143 54.957 -4.250 35.736 1.00 6.90 C ATOM 938 O ALA A 143 55.977 -3.600 35.471 1.00 7.12 O ATOM 939 CB ALA A 143 54.823 -6.665 35.076 1.00 8.73 C ATOM 940 H ALA A 143 53.554 -6.831 37.295 1.00 0.00 H ATOM 941 N LEU A 144 53.728 -3.737 35.596 1.00 6.94 N ATOM 942 CA LEU A 144 53.549 -2.372 35.115 1.00 7.42 C ATOM 943 C LEU A 144 54.111 -1.361 36.107 1.00 7.05 C ATOM 944 O LEU A 144 54.665 -0.334 35.703 1.00 7.24 O ATOM 945 CB LEU A 144 52.071 -2.104 34.835 1.00 8.24 C ATOM 946 CG LEU A 144 51.749 -0.705 34.302 1.00 9.10 C ATOM 947 CD1 LEU A 144 52.560 -0.379 33.049 1.00 10.39 C ATOM 948 CD2 LEU A 144 50.260 -0.579 34.022 1.00 10.41 C ATOM 949 H LEU A 144 52.896 -4.315 35.832 1.00 0.00 H ATOM 950 N SER A 145 53.958 -1.621 37.411 1.00 6.35 N ATOM 951 CA SER A 145 54.569 -0.749 38.411 1.00 6.18 C ATOM 952 C SER A 145 56.083 -0.710 38.248 1.00 6.06 C ATOM 953 O SER A 145 56.700 0.357 38.349 1.00 6.59 O ATOM 954 CB SER A 145 54.225 -1.232 39.822 1.00 6.09 C ATOM 955 OG SER A 145 52.829 -1.298 40.050 1.00 6.35 O ATOM 956 HG SER A 145 52.434 -0.398 39.931 1.00 0.00 H ATOM 957 H SER A 145 53.402 -2.447 37.713 1.00 0.00 H ATOM 958 N ASN A 146 56.705 -1.873 38.026 1.00 6.15 N ATOM 959 CA ASN A 146 58.150 -1.898 37.850 1.00 6.45 C ATOM 960 C ASN A 146 58.562 -1.165 36.585 1.00 6.75 C ATOM 961 O ASN A 146 59.592 -0.481 36.562 1.00 7.39 O ATOM 962 CB ASN A 146 58.654 -3.335 37.851 1.00 7.08 C ATOM 963 CG ASN A 146 58.610 -3.944 39.225 1.00 6.83 C ATOM 964 OD1 ASN A 146 58.667 -3.225 40.228 1.00 7.01 O ATOM 965 ND2 ASN A 146 58.502 -5.259 39.288 1.00 7.28 N ATOM 966 HD22 ASN A 146 58.458 -5.820 38.413 1.00 0.00 H ATOM 967 HD21 ASN A 146 58.461 -5.734 40.212 1.00 0.00 H ATOM 968 H ASN A 146 56.158 -2.756 37.979 1.00 0.00 H ATOM 969 N GLN A 147 57.763 -1.284 35.524 1.00 7.57 N ATOM 970 CA GLN A 147 58.058 -0.557 34.294 1.00 8.41 C ATOM 971 C GLN A 147 57.970 0.953 34.504 1.00 7.75 C ATOM 972 O GLN A 147 58.791 1.710 33.976 1.00 8.84 O ATOM 973 CB GLN A 147 57.086 -1.009 33.206 1.00 10.09 C ATOM 974 CG GLN A 147 57.332 -0.402 31.841 1.00 14.08 C ATOM 975 CD GLN A 147 56.131 -0.572 30.924 1.00 18.46 C ATOM 976 OE1 GLN A 147 55.731 -1.690 30.613 1.00 21.24 O ATOM 977 NE2 GLN A 147 55.549 0.543 30.493 1.00 19.82 N ATOM 978 HE22 GLN A 147 55.922 1.470 30.782 1.00 0.00 H ATOM 979 HE21 GLN A 147 54.721 0.489 29.867 1.00 0.00 H ATOM 980 H GLN A 147 56.925 -1.898 35.574 1.00 0.00 H ATOM 981 N LEU A 148 56.967 1.405 35.254 1.00 7.14 N ATOM 982 CA LEU A 148 56.752 2.826 35.489 1.00 7.24 C ATOM 983 C LEU A 148 57.683 3.402 36.543 1.00 7.00 C ATOM 984 O LEU A 148 57.847 4.624 36.594 1.00 7.62 O ATOM 985 CB LEU A 148 55.315 3.044 35.968 1.00 8.18 C ATOM 986 CG LEU A 148 54.209 2.796 34.948 1.00 9.42 C ATOM 987 CD1 LEU A 148 52.852 2.835 35.634 1.00 10.35 C ATOM 988 CD2 LEU A 148 54.289 3.815 33.811 1.00 11.19 C ATOM 989 H LEU A 148 56.315 0.720 35.687 1.00 0.00 H ATOM 990 N ALA A 149 58.274 2.562 37.386 1.00 7.58 N ATOM 991 CA ALA A 149 59.016 3.064 38.540 1.00 7.63 C ATOM 992 C ALA A 149 60.062 4.114 38.184 1.00 7.43 C ATOM 993 O ALA A 149 60.038 5.203 38.783 1.00 7.67 O ATOM 994 CB ALA A 149 59.580 1.893 39.359 1.00 8.62 C ATOM 995 H ALA A 149 58.208 1.537 37.223 1.00 0.00 H ATOM 996 N PRO A 150 60.977 3.883 37.238 1.00 8.22 N ATOM 997 CA PRO A 150 62.006 4.907 36.981 1.00 9.31 C ATOM 998 C PRO A 150 61.443 6.274 36.624 1.00 8.95 C ATOM 999 O PRO A 150 61.896 7.284 37.181 1.00 9.21 O ATOM 1000 CB PRO A 150 62.845 4.283 35.858 1.00 10.35 C ATOM 1001 CG PRO A 150 62.663 2.809 36.049 1.00 11.04 C ATOM 1002 CD PRO A 150 61.233 2.654 36.464 1.00 9.54 C ATOM 1003 N GLN A 151 60.453 6.342 35.728 1.00 8.38 N ATOM 1004 CA GLN A 151 59.895 7.639 35.356 1.00 9.17 C ATOM 1005 C GLN A 151 59.150 8.309 36.499 1.00 8.24 C ATOM 1006 O GLN A 151 59.043 9.544 36.517 1.00 9.85 O ATOM 1007 CB GLN A 151 59.006 7.530 34.113 1.00 10.03 C ATOM 1008 CG GLN A 151 57.616 6.943 34.351 1.00 11.03 C ATOM 1009 CD GLN A 151 56.982 6.411 33.071 1.00 12.27 C ATOM 1010 OE1 GLN A 151 57.480 5.460 32.465 1.00 13.69 O ATOM 1011 NE2 GLN A 151 55.873 7.013 32.665 1.00 12.79 N ATOM 1012 HE22 GLN A 151 55.487 7.812 33.207 1.00 0.00 H ATOM 1013 HE21 GLN A 151 55.389 6.686 31.805 1.00 0.00 H ATOM 1014 H GLN A 151 60.081 5.472 35.296 1.00 0.00 H ATOM 1015 N GLU A 152 58.651 7.532 37.455 1.00 6.91 N ATOM 1016 CA GLU A 152 57.992 8.075 38.632 1.00 6.82 C ATOM 1017 C GLU A 152 58.972 8.443 39.735 1.00 7.79 C ATOM 1018 O GLU A 152 58.543 8.915 40.794 1.00 9.24 O ATOM 1019 CB GLU A 152 56.960 7.075 39.161 1.00 7.81 C ATOM 1020 CG GLU A 152 55.884 6.716 38.153 1.00 9.17 C ATOM 1021 CD GLU A 152 55.064 7.916 37.717 1.00 11.04 C ATOM 1022 OE1 GLU A 152 54.848 8.825 38.545 1.00 11.49 O ATOM 1023 OE2 GLU A 152 54.628 7.945 36.548 1.00 13.32 O ATOM 1024 H GLU A 152 58.735 6.500 37.358 1.00 0.00 H ATOM 1025 N GLY A 153 60.271 8.245 39.517 1.00 7.55 N ATOM 1026 CA GLY A 153 61.244 8.518 40.551 1.00 8.40 C ATOM 1027 C GLY A 153 61.368 7.426 41.580 1.00 8.27 C ATOM 1028 O GLY A 153 61.941 7.668 42.648 1.00 9.43 O ATOM 1029 H GLY A 153 60.589 7.890 38.593 1.00 0.00 H ATOM 1030 N MET A 154 60.846 6.234 41.289 1.00 8.23 N ATOM 1031 CA MET A 154 60.878 5.081 42.176 1.00 8.85 C ATOM 1032 C MET A 154 61.962 4.106 41.728 1.00 9.07 C ATOM 1033 O MET A 154 62.391 4.094 40.570 1.00 9.69 O ATOM 1034 CB MET A 154 59.525 4.350 42.169 1.00 9.06 C ATOM 1035 CG MET A 154 58.333 5.173 42.605 1.00 9.43 C ATOM 1036 SD MET A 154 58.399 5.716 44.314 1.00 9.11 S ATOM 1037 CE MET A 154 58.756 7.437 44.070 1.00 10.01 C ATOM 1038 H MET A 154 60.384 6.121 40.364 1.00 0.00 H ATOM 1039 N VAL A 155 62.389 3.272 42.666 1.00 7.93 N ATOM 1040 CA VAL A 155 63.214 2.103 42.370 1.00 7.87 C ATOM 1041 C VAL A 155 62.277 0.908 42.188 1.00 7.32 C ATOM 1042 O VAL A 155 61.375 0.685 43.004 1.00 8.16 O ATOM 1043 CB VAL A 155 64.231 1.859 43.501 1.00 10.04 C ATOM 1044 CG1 VAL A 155 65.031 0.582 43.249 1.00 11.43 C ATOM 1045 CG2 VAL A 155 65.154 3.078 43.659 1.00 10.64 C ATOM 1046 H VAL A 155 62.125 3.458 43.655 1.00 0.00 H ATOM 1047 N ALA A 156 62.469 0.149 41.109 1.00 7.23 N ATOM 1048 CA ALA A 156 61.618 -1.004 40.851 1.00 6.97 C ATOM 1049 C ALA A 156 61.816 -2.082 41.913 1.00 6.86 C ATOM 1050 O ALA A 156 62.896 -2.233 42.496 1.00 7.35 O ATOM 1051 CB ALA A 156 61.931 -1.599 39.475 1.00 8.34 C ATOM 1052 H ALA A 156 63.234 0.383 40.445 1.00 0.00 H ATOM 1053 N ALA A 157 60.755 -2.847 42.155 1.00 6.59 N ATOM 1054 CA ALA A 157 60.884 -4.076 42.922 1.00 6.86 C ATOM 1055 C ALA A 157 61.723 -5.090 42.148 1.00 6.99 C ATOM 1056 O ALA A 157 61.911 -4.990 40.931 1.00 8.22 O ATOM 1057 CB ALA A 157 59.511 -4.675 43.215 1.00 6.67 C ATOM 1058 H ALA A 157 59.823 -2.563 41.792 1.00 0.00 H ATOM 1059 N GLN A 158 62.246 -6.076 42.876 1.00 6.82 N ATOM 1060 CA GLN A 158 63.084 -7.086 42.242 1.00 8.06 C ATOM 1061 C GLN A 158 62.285 -7.994 41.320 1.00 7.72 C ATOM 1062 O GLN A 158 62.793 -8.413 40.275 1.00 8.92 O ATOM 1063 CB GLN A 158 63.791 -7.909 43.311 1.00 9.60 C ATOM 1064 CG GLN A 158 64.807 -7.113 44.102 1.00 11.03 C ATOM 1065 CD GLN A 158 65.164 -7.769 45.419 1.00 12.99 C ATOM 1066 OE1 GLN A 158 64.375 -8.531 45.980 1.00 13.23 O ATOM 1067 NE2 GLN A 158 66.348 -7.459 45.931 1.00 14.27 N ATOM 1068 HE22 GLN A 158 66.981 -6.811 45.421 1.00 0.00 H ATOM 1069 HE21 GLN A 158 66.643 -7.864 46.842 1.00 0.00 H ATOM 1070 H GLN A 158 62.056 -6.125 43.897 1.00 0.00 H ATOM 1071 N HIS A 159 61.045 -8.301 41.681 1.00 6.68 N ATOM 1072 CA HIS A 159 60.244 -9.289 40.985 1.00 6.40 C ATOM 1073 C HIS A 159 58.949 -8.653 40.501 1.00 6.47 C ATOM 1074 O HIS A 159 58.391 -7.762 41.156 1.00 6.59 O ATOM 1075 CB HIS A 159 59.908 -10.432 41.938 1.00 7.20 C ATOM 1076 CG HIS A 159 61.108 -11.058 42.573 1.00 8.56 C ATOM 1077 ND1 HIS A 159 62.016 -11.807 41.858 1.00 10.14 N ATOM 1078 CD2 HIS A 159 61.552 -11.049 43.853 1.00 9.25 C ATOM 1079 CE1 HIS A 159 62.969 -12.231 42.669 1.00 10.66 C ATOM 1080 NE2 HIS A 159 62.709 -11.790 43.886 1.00 10.52 N ATOM 1081 H HIS A 159 60.630 -7.811 42.499 1.00 0.00 H ATOM 1082 N SER A 160 58.463 -9.139 39.361 1.00 6.65 N ATOM 1083 CA SER A 160 57.251 -8.626 38.741 1.00 7.06 C ATOM 1084 C SER A 160 56.117 -9.631 38.861 1.00 6.59 C ATOM 1085 O SER A 160 56.274 -10.807 38.509 1.00 7.85 O ATOM 1086 CB SER A 160 57.481 -8.313 37.263 1.00 7.87 C ATOM 1087 OG SER A 160 58.341 -7.200 37.115 1.00 8.65 O ATOM 1088 HG SER A 160 59.213 -7.399 37.540 1.00 0.00 H ATOM 1089 H SER A 160 58.971 -9.918 38.894 1.00 0.00 H ATOM 1090 N LEU A 161 54.970 -9.151 39.314 1.00 6.05 N ATOM 1091 CA LEU A 161 53.738 -9.919 39.309 1.00 6.57 C ATOM 1092 C LEU A 161 53.045 -9.730 37.971 1.00 6.98 C ATOM 1093 O LEU A 161 53.022 -8.626 37.418 1.00 7.70 O ATOM 1094 CB LEU A 161 52.814 -9.405 40.412 1.00 6.78 C ATOM 1095 CG LEU A 161 53.392 -9.431 41.830 1.00 7.65 C ATOM 1096 CD1 LEU A 161 52.367 -8.905 42.814 1.00 9.54 C ATOM 1097 CD2 LEU A 161 53.806 -10.850 42.195 1.00 9.06 C ATOM 1098 H LEU A 161 54.950 -8.182 39.690 1.00 0.00 H ATOM 1099 N THR A 162 52.488 -10.812 37.448 1.00 7.34 N ATOM 1100 CA THR A 162 51.634 -10.716 36.279 1.00 8.61 C ATOM 1101 C THR A 162 50.265 -11.270 36.643 1.00 8.43 C ATOM 1102 O THR A 162 50.111 -11.984 37.644 1.00 8.74 O ATOM 1103 CB THR A 162 52.226 -11.420 35.051 1.00 10.27 C ATOM 1104 OG1 THR A 162 52.354 -12.820 35.313 1.00 10.55 O ATOM 1105 CG2 THR A 162 53.587 -10.840 34.708 1.00 12.08 C ATOM 1106 HG1 THR A 162 52.736 -13.270 34.518 1.00 0.00 H ATOM 1107 H THR A 162 52.665 -11.741 37.880 1.00 0.00 H ATOM 1108 N PHE A 163 49.269 -10.932 35.828 1.00 9.41 N ATOM 1109 CA PHE A 163 47.880 -11.148 36.204 1.00 10.39 C ATOM 1110 C PHE A 163 47.117 -11.800 35.067 1.00 12.08 C ATOM 1111 O PHE A 163 47.328 -11.480 33.895 1.00 13.19 O ATOM 1112 CB PHE A 163 47.212 -9.822 36.612 1.00 10.30 C ATOM 1113 CG PHE A 163 47.824 -9.229 37.841 1.00 8.98 C ATOM 1114 CD1 PHE A 163 48.943 -8.415 37.751 1.00 9.77 C ATOM 1115 CD2 PHE A 163 47.342 -9.563 39.095 1.00 9.03 C ATOM 1116 CE1 PHE A 163 49.543 -7.916 38.894 1.00 9.73 C ATOM 1117 CE2 PHE A 163 47.941 -9.072 40.241 1.00 9.33 C ATOM 1118 CZ PHE A 163 49.049 -8.251 40.142 1.00 8.97 C ATOM 1119 H PHE A 163 49.487 -10.505 34.905 1.00 0.00 H ATOM 1120 N ALA A 164 46.238 -12.726 35.427 1.00 12.84 N ATOM 1121 CA ALA A 164 45.319 -13.302 34.464 1.00 13.73 C ATOM 1122 C ALA A 164 44.303 -12.252 34.019 1.00 14.29 C ATOM 1123 O ALA A 164 44.149 -11.193 34.633 1.00 13.79 O ATOM 1124 CB ALA A 164 44.597 -14.493 35.086 1.00 14.34 C ATOM 1125 H ALA A 164 46.207 -13.044 36.417 1.00 0.00 H ATOM 1126 N ALA A 165 43.590 -12.562 32.934 1.00 15.93 N ATOM 1127 CA ALA A 165 42.606 -11.619 32.410 1.00 17.20 C ATOM 1128 C ALA A 165 41.518 -11.302 33.429 1.00 17.04 C ATOM 1129 O ALA A 165 40.974 -10.190 33.425 1.00 18.22 O ATOM 1130 CB ALA A 165 41.999 -12.142 31.105 1.00 18.38 C ATOM 1131 H ALA A 165 43.736 -13.477 32.461 1.00 0.00 H ATOM 1132 N ASN A 166 41.194 -12.245 34.315 1.00 16.00 N ATOM 1133 CA ASN A 166 40.180 -12.001 35.338 1.00 15.64 C ATOM 1134 C ASN A 166 40.708 -11.235 36.549 1.00 14.79 C ATOM 1135 O ASN A 166 39.946 -11.005 37.495 1.00 15.49 O ATOM 1136 CB ASN A 166 39.504 -13.308 35.772 1.00 16.29 C ATOM 1137 CG ASN A 166 40.458 -14.277 36.458 1.00 16.85 C ATOM 1138 OD1 ASN A 166 41.568 -13.917 36.859 1.00 16.15 O ATOM 1139 ND2 ASN A 166 40.015 -15.517 36.610 1.00 18.34 N ATOM 1140 HD22 ASN A 166 39.073 -15.779 36.257 1.00 0.00 H ATOM 1141 HD21 ASN A 166 40.610 -16.228 37.082 1.00 0.00 H ATOM 1142 H ASN A 166 41.671 -13.169 34.277 1.00 0.00 H ATOM 1143 N GLY A 167 41.980 -10.843 36.555 1.00 13.07 N ATOM 1144 CA GLY A 167 42.527 -10.008 37.599 1.00 11.74 C ATOM 1145 C GLY A 167 43.345 -10.733 38.652 1.00 10.54 C ATOM 1146 O GLY A 167 44.144 -10.090 39.342 1.00 9.49 O ATOM 1147 H GLY A 167 42.602 -11.149 35.780 1.00 0.00 H ATOM 1148 N TRP A 168 43.179 -12.042 38.809 1.00 10.41 N ATOM 1149 CA TRP A 168 43.937 -12.732 39.846 1.00 10.29 C ATOM 1150 C TRP A 168 45.395 -12.871 39.433 1.00 9.63 C ATOM 1151 O TRP A 168 45.706 -13.117 38.265 1.00 10.59 O ATOM 1152 CB TRP A 168 43.320 -14.098 40.154 1.00 12.15 C ATOM 1153 CG TRP A 168 42.056 -13.955 40.934 1.00 12.86 C ATOM 1154 CD1 TRP A 168 40.788 -14.199 40.494 1.00 14.80 C ATOM 1155 CD2 TRP A 168 41.930 -13.501 42.289 1.00 13.21 C ATOM 1156 NE1 TRP A 168 39.882 -13.933 41.492 1.00 15.34 N ATOM 1157 CE2 TRP A 168 40.557 -13.505 42.605 1.00 14.60 C ATOM 1158 CE3 TRP A 168 42.845 -13.097 43.267 1.00 13.76 C ATOM 1159 CZ2 TRP A 168 40.077 -13.117 43.855 1.00 15.33 C ATOM 1160 CZ3 TRP A 168 42.363 -12.713 44.511 1.00 14.60 C ATOM 1161 CH2 TRP A 168 40.991 -12.722 44.790 1.00 15.01 C ATOM 1162 HE1 TRP A 168 38.850 -14.039 41.415 1.00 0.00 H ATOM 1163 H TRP A 168 42.518 -12.567 38.201 1.00 0.00 H ATOM 1164 N VAL A 169 46.294 -12.710 40.406 1.00 8.88 N ATOM 1165 CA VAL A 169 47.716 -12.842 40.128 1.00 8.30 C ATOM 1166 C VAL A 169 48.000 -14.234 39.580 1.00 9.06 C ATOM 1167 O VAL A 169 47.369 -15.225 39.975 1.00 10.93 O ATOM 1168 CB VAL A 169 48.545 -12.541 41.394 1.00 8.29 C ATOM 1169 CG1 VAL A 169 48.391 -13.647 42.445 1.00 9.90 C ATOM 1170 CG2 VAL A 169 50.019 -12.325 41.053 1.00 8.53 C ATOM 1171 H VAL A 169 45.976 -12.488 41.371 1.00 0.00 H ATOM 1172 N GLU A 170 48.925 -14.306 38.629 1.00 9.37 N ATOM 1173 CA GLU A 170 49.426 -15.593 38.180 1.00 10.63 C ATOM 1174 C GLU A 170 50.254 -16.178 39.314 1.00 9.81 C ATOM 1175 O GLU A 170 51.268 -15.576 39.703 1.00 9.10 O ATOM 1176 CB GLU A 170 50.264 -15.387 36.926 1.00 13.52 C ATOM 1177 CG GLU A 170 49.495 -14.665 35.827 1.00 16.88 C ATOM 1178 CD GLU A 170 50.019 -14.957 34.441 1.00 18.78 C ATOM 1179 OE1 GLU A 170 49.767 -16.068 33.930 1.00 19.93 O ATOM 1180 OE2 GLU A 170 50.675 -14.070 33.859 1.00 19.03 O ATOM 1181 H GLU A 170 49.294 -13.432 38.202 1.00 0.00 H ATOM 1182 N PRO A 171 49.854 -17.318 39.889 1.00 11.44 N ATOM 1183 CA PRO A 171 50.474 -17.763 41.148 1.00 11.51 C ATOM 1184 C PRO A 171 51.970 -17.985 41.078 1.00 9.89 C ATOM 1185 O PRO A 171 52.653 -17.804 42.094 1.00 9.35 O ATOM 1186 CB PRO A 171 49.708 -19.050 41.492 1.00 14.27 C ATOM 1187 CG PRO A 171 49.008 -19.434 40.246 1.00 15.87 C ATOM 1188 CD PRO A 171 48.730 -18.181 39.492 1.00 13.31 C ATOM 1189 N ALA A 172 52.504 -18.380 39.922 1.00 9.00 N ATOM 1190 CA ALA A 172 53.938 -18.605 39.827 1.00 8.75 C ATOM 1191 C ALA A 172 54.740 -17.332 40.040 1.00 7.75 C ATOM 1192 O ALA A 172 55.935 -17.412 40.356 1.00 8.43 O ATOM 1193 CB ALA A 172 54.304 -19.172 38.458 1.00 10.20 C ATOM 1194 H ALA A 172 51.897 -18.527 39.090 1.00 0.00 H ATOM 1195 N THR A 173 54.130 -16.158 39.840 1.00 7.04 N ATOM 1196 CA THR A 173 54.843 -14.897 40.035 1.00 6.67 C ATOM 1197 C THR A 173 54.794 -14.399 41.468 1.00 6.98 C ATOM 1198 O THR A 173 55.513 -13.450 41.794 1.00 7.73 O ATOM 1199 CB THR A 173 54.357 -13.792 39.070 1.00 7.49 C ATOM 1200 OG1 THR A 173 53.036 -13.341 39.412 1.00 7.34 O ATOM 1201 CG2 THR A 173 54.399 -14.274 37.628 1.00 8.81 C ATOM 1202 HG1 THR A 173 52.405 -14.102 39.362 1.00 0.00 H ATOM 1203 H THR A 173 53.134 -16.142 39.541 1.00 0.00 H ATOM 1204 N ALA A 174 53.992 -15.032 42.322 1.00 6.95 N ATOM 1205 CA ALA A 174 53.837 -14.636 43.721 1.00 6.63 C ATOM 1206 C ALA A 174 54.134 -15.830 44.623 1.00 6.73 C ATOM 1207 O ALA A 174 53.290 -16.241 45.426 1.00 7.35 O ATOM 1208 CB ALA A 174 52.435 -14.088 43.984 1.00 7.95 C ATOM 1209 H ALA A 174 53.449 -15.849 41.977 1.00 0.00 H ATOM 1210 N PRO A 175 55.326 -16.416 44.510 1.00 6.84 N ATOM 1211 CA PRO A 175 55.635 -17.591 45.329 1.00 7.32 C ATOM 1212 C PRO A 175 55.740 -17.215 46.799 1.00 6.85 C ATOM 1213 O PRO A 175 56.211 -16.132 47.162 1.00 6.94 O ATOM 1214 CB PRO A 175 56.994 -18.042 44.785 1.00 8.50 C ATOM 1215 CG PRO A 175 57.633 -16.770 44.342 1.00 8.77 C ATOM 1216 CD PRO A 175 56.506 -15.979 43.737 1.00 7.84 C ATOM 1217 N ASN A 176 55.291 -18.131 47.653 1.00 7.21 N ATOM 1218 CA ASN A 176 55.481 -18.010 49.098 1.00 7.91 C ATOM 1219 C ASN A 176 54.743 -16.819 49.692 1.00 7.68 C ATOM 1220 O ASN A 176 55.165 -16.265 50.711 1.00 8.42 O ATOM 1221 CB ASN A 176 56.968 -17.999 49.473 1.00 10.31 C ATOM 1222 CG ASN A 176 57.670 -19.237 48.994 1.00 12.70 C ATOM 1223 OD1 ASN A 176 58.598 -19.187 48.177 1.00 16.87 O ATOM 1224 ND2 ASN A 176 57.192 -20.367 49.449 1.00 12.25 N ATOM 1225 HD22 ASN A 176 56.411 -20.362 50.135 1.00 0.00 H ATOM 1226 HD21 ASN A 176 57.593 -21.270 49.124 1.00 0.00 H ATOM 1227 H ASN A 176 54.788 -18.961 47.280 1.00 0.00 H ATOM 1228 N PHE A 177 53.636 -16.419 49.078 1.00 7.29 N ATOM 1229 CA PHE A 177 52.857 -15.297 49.580 1.00 6.95 C ATOM 1230 C PHE A 177 51.958 -15.671 50.754 1.00 7.32 C ATOM 1231 O PHE A 177 51.312 -14.789 51.314 1.00 7.36 O ATOM 1232 CB PHE A 177 52.047 -14.653 48.453 1.00 7.37 C ATOM 1233 CG PHE A 177 52.749 -13.498 47.766 1.00 6.46 C ATOM 1234 CD1 PHE A 177 54.070 -13.597 47.335 1.00 6.92 C ATOM 1235 CD2 PHE A 177 52.074 -12.298 47.539 1.00 6.86 C ATOM 1236 CE1 PHE A 177 54.697 -12.515 46.695 1.00 7.15 C ATOM 1237 CE2 PHE A 177 52.698 -11.229 46.903 1.00 7.29 C ATOM 1238 CZ PHE A 177 54.006 -11.337 46.481 1.00 7.01 C ATOM 1239 H PHE A 177 53.319 -16.917 48.222 1.00 0.00 H ATOM 1240 N GLY A 178 51.919 -16.936 51.174 1.00 9.06 N ATOM 1241 CA GLY A 178 51.148 -17.306 52.336 1.00 10.20 C ATOM 1242 C GLY A 178 49.693 -16.898 52.208 1.00 10.63 C ATOM 1243 O GLY A 178 49.024 -17.203 51.219 1.00 12.00 O ATOM 1244 H GLY A 178 52.451 -17.665 50.657 1.00 0.00 H ATOM 1245 N PRO A 179 49.171 -16.177 53.201 1.00 10.05 N ATOM 1246 CA PRO A 179 47.760 -15.782 53.159 1.00 10.56 C ATOM 1247 C PRO A 179 47.467 -14.597 52.249 1.00 9.78 C ATOM 1248 O PRO A 179 46.296 -14.234 52.104 1.00 10.91 O ATOM 1249 CB PRO A 179 47.479 -15.423 54.623 1.00 12.22 C ATOM 1250 CG PRO A 179 48.768 -14.839 55.080 1.00 11.95 C ATOM 1251 CD PRO A 179 49.843 -15.676 54.412 1.00 11.38 C ATOM 1252 N LEU A 180 48.473 -13.975 51.638 1.00 8.85 N ATOM 1253 CA LEU A 180 48.236 -12.789 50.819 1.00 8.79 C ATOM 1254 C LEU A 180 47.692 -13.205 49.459 1.00 8.95 C ATOM 1255 O LEU A 180 48.329 -13.978 48.737 1.00 11.05 O ATOM 1256 CB LEU A 180 49.521 -11.996 50.618 1.00 9.21 C ATOM 1257 CG LEU A 180 50.216 -11.474 51.867 1.00 10.13 C ATOM 1258 CD1 LEU A 180 51.349 -10.552 51.450 1.00 10.38 C ATOM 1259 CD2 LEU A 180 49.243 -10.760 52.792 1.00 11.56 C ATOM 1260 H LEU A 180 49.441 -14.339 51.745 1.00 0.00 H ATOM 1261 N LYS A 181 46.518 -12.692 49.110 1.00 8.87 N ATOM 1262 CA LYS A 181 45.882 -12.964 47.827 1.00 9.38 C ATOM 1263 C LYS A 181 45.854 -11.667 47.035 1.00 8.54 C ATOM 1264 O LYS A 181 45.197 -10.702 47.443 1.00 9.52 O ATOM 1265 CB LYS A 181 44.466 -13.498 48.027 1.00 11.53 C ATOM 1266 CG LYS A 181 44.426 -14.973 48.382 1.00 13.79 C ATOM 1267 CD LYS A 181 43.004 -15.476 48.553 1.00 15.72 C ATOM 1268 CE LYS A 181 42.205 -15.411 47.264 1.00 16.83 C ATOM 1269 NZ LYS A 181 40.826 -15.946 47.457 1.00 17.42 N ATOM 1270 HZ1 LYS A 181 40.880 -16.938 47.765 1.00 0.00 H ATOM 1271 HZ2 LYS A 181 40.335 -15.383 48.181 1.00 0.00 H ATOM 1272 HZ3 LYS A 181 40.304 -15.888 46.559 1.00 0.00 H ATOM 1273 H LYS A 181 46.030 -12.067 49.783 1.00 0.00 H ATOM 1274 N VAL A 182 46.556 -11.644 45.907 1.00 7.87 N ATOM 1275 CA VAL A 182 46.783 -10.411 45.154 1.00 7.21 C ATOM 1276 C VAL A 182 45.871 -10.356 43.939 1.00 7.01 C ATOM 1277 O VAL A 182 45.816 -11.304 43.144 1.00 7.91 O ATOM 1278 CB VAL A 182 48.258 -10.280 44.742 1.00 8.01 C ATOM 1279 CG1 VAL A 182 48.489 -8.929 44.088 1.00 8.52 C ATOM 1280 CG2 VAL A 182 49.176 -10.460 45.945 1.00 9.47 C ATOM 1281 H VAL A 182 46.958 -12.533 45.547 1.00 0.00 H ATOM 1282 N PHE A 183 45.191 -9.224 43.775 1.00 7.23 N ATOM 1283 CA PHE A 183 44.169 -9.058 42.752 1.00 7.26 C ATOM 1284 C PHE A 183 44.357 -7.711 42.071 1.00 6.84 C ATOM 1285 O PHE A 183 44.487 -6.681 42.741 1.00 7.03 O ATOM 1286 CB PHE A 183 42.781 -9.131 43.397 1.00 8.43 C ATOM 1287 CG PHE A 183 41.645 -8.969 42.428 1.00 9.55 C ATOM 1288 CD1 PHE A 183 41.318 -9.987 41.546 1.00 10.36 C ATOM 1289 CD2 PHE A 183 40.880 -7.817 42.418 1.00 10.23 C ATOM 1290 CE1 PHE A 183 40.265 -9.848 40.656 1.00 11.40 C ATOM 1291 CE2 PHE A 183 39.821 -7.673 41.538 1.00 10.95 C ATOM 1292 CZ PHE A 183 39.517 -8.684 40.656 1.00 11.60 C ATOM 1293 H PHE A 183 45.399 -8.423 44.405 1.00 0.00 H ATOM 1294 N TYR A 184 44.374 -7.725 40.737 1.00 7.19 N ATOM 1295 CA TYR A 184 44.374 -6.503 39.946 1.00 7.54 C ATOM 1296 C TYR A 184 42.929 -6.200 39.574 1.00 8.07 C ATOM 1297 O TYR A 184 42.333 -6.965 38.804 1.00 8.85 O ATOM 1298 CB TYR A 184 45.212 -6.684 38.689 1.00 8.09 C ATOM 1299 CG TYR A 184 45.103 -5.507 37.750 1.00 8.66 C ATOM 1300 CD1 TYR A 184 45.568 -4.256 38.129 1.00 9.06 C ATOM 1301 CD2 TYR A 184 44.515 -5.633 36.500 1.00 9.96 C ATOM 1302 CE1 TYR A 184 45.471 -3.164 37.291 1.00 10.15 C ATOM 1303 CE2 TYR A 184 44.408 -4.537 35.647 1.00 10.83 C ATOM 1304 CZ TYR A 184 44.891 -3.307 36.052 1.00 10.68 C ATOM 1305 OH TYR A 184 44.792 -2.227 35.212 1.00 12.14 O ATOM 1306 HH TYR A 184 45.183 -1.431 35.652 1.00 0.00 H ATOM 1307 H TYR A 184 44.388 -8.641 40.245 1.00 0.00 H ATOM 1308 N PRO A 185 42.326 -5.133 40.092 1.00 8.24 N ATOM 1309 CA PRO A 185 40.892 -4.900 39.880 1.00 9.03 C ATOM 1310 C PRO A 185 40.567 -4.126 38.617 1.00 9.29 C ATOM 1311 O PRO A 185 39.383 -3.912 38.334 1.00 10.39 O ATOM 1312 CB PRO A 185 40.526 -4.062 41.108 1.00 9.47 C ATOM 1313 CG PRO A 185 41.753 -3.243 41.351 1.00 9.24 C ATOM 1314 CD PRO A 185 42.908 -4.156 41.033 1.00 8.46 C ATOM 1315 N GLY A 186 41.581 -3.710 37.866 1.00 8.75 N ATOM 1316 CA GLY A 186 41.395 -2.809 36.759 1.00 10.03 C ATOM 1317 C GLY A 186 41.940 -1.438 37.093 1.00 9.71 C ATOM 1318 O GLY A 186 42.251 -1.125 38.244 1.00 9.78 O ATOM 1319 H GLY A 186 42.540 -4.046 38.085 1.00 0.00 H ATOM 1320 N PRO A 187 42.077 -0.594 36.081 1.00 10.33 N ATOM 1321 CA PRO A 187 42.644 0.736 36.315 1.00 10.53 C ATOM 1322 C PRO A 187 41.696 1.612 37.119 1.00 10.18 C ATOM 1323 O PRO A 187 40.479 1.588 36.923 1.00 10.25 O ATOM 1324 CB PRO A 187 42.855 1.283 34.898 1.00 12.27 C ATOM 1325 CG PRO A 187 41.931 0.495 34.030 1.00 13.86 C ATOM 1326 CD PRO A 187 41.783 -0.849 34.659 1.00 12.00 C ATOM 1327 N GLY A 188 42.266 2.396 38.029 1.00 9.81 N ATOM 1328 CA GLY A 188 41.463 3.264 38.865 1.00 9.39 C ATOM 1329 C GLY A 188 42.253 4.454 39.355 1.00 8.81 C ATOM 1330 O GLY A 188 42.463 5.417 38.613 1.00 9.66 O ATOM 1331 H GLY A 188 43.300 2.386 38.142 1.00 0.00 H ATOM 1332 N HIS A 189 42.706 4.393 40.608 1.00 8.28 N ATOM 1333 CA HIS A 189 43.599 5.433 41.108 1.00 8.25 C ATOM 1334 C HIS A 189 44.820 5.574 40.202 1.00 7.69 C ATOM 1335 O HIS A 189 45.282 6.691 39.924 1.00 8.70 O ATOM 1336 CB HIS A 189 44.014 5.102 42.542 1.00 8.56 C ATOM 1337 CG HIS A 189 45.166 5.920 43.043 1.00 7.78 C ATOM 1338 ND1 HIS A 189 45.041 7.250 43.378 1.00 7.99 N ATOM 1339 CD2 HIS A 189 46.471 5.606 43.237 1.00 7.71 C ATOM 1340 CE1 HIS A 189 46.211 7.714 43.781 1.00 7.80 C ATOM 1341 NE2 HIS A 189 47.098 6.737 43.709 1.00 7.36 N ATOM 1342 H HIS A 189 42.424 3.606 41.227 1.00 0.00 H ATOM 1343 N THR A 190 45.357 4.444 39.743 1.00 7.94 N ATOM 1344 CA THR A 190 46.356 4.395 38.686 1.00 7.79 C ATOM 1345 C THR A 190 46.046 3.190 37.811 1.00 8.48 C ATOM 1346 O THR A 190 45.227 2.336 38.161 1.00 9.62 O ATOM 1347 CB THR A 190 47.784 4.241 39.231 1.00 8.26 C ATOM 1348 OG1 THR A 190 47.878 3.027 39.987 1.00 8.64 O ATOM 1349 CG2 THR A 190 48.193 5.431 40.083 1.00 8.74 C ATOM 1350 HG1 THR A 190 48.798 2.929 40.338 1.00 0.00 H ATOM 1351 H THR A 190 45.044 3.546 40.164 1.00 0.00 H ATOM 1352 N SER A 191 46.727 3.111 36.670 1.00 9.22 N ATOM 1353 CA SER A 191 46.530 1.962 35.795 1.00 10.07 C ATOM 1354 C SER A 191 47.129 0.687 36.370 1.00 9.17 C ATOM 1355 O SER A 191 46.706 -0.408 35.983 1.00 10.18 O ATOM 1356 CB SER A 191 47.130 2.238 34.419 1.00 12.54 C ATOM 1357 OG SER A 191 46.349 3.206 33.744 1.00 15.34 O ATOM 1358 HG SER A 191 46.336 4.044 34.271 1.00 0.00 H ATOM 1359 H SER A 191 47.394 3.863 36.405 1.00 0.00 H ATOM 1360 N ASP A 192 48.108 0.808 37.268 1.00 7.90 N ATOM 1361 CA ASP A 192 48.829 -0.337 37.805 1.00 7.41 C ATOM 1362 C ASP A 192 48.376 -0.746 39.196 1.00 7.09 C ATOM 1363 O ASP A 192 48.932 -1.705 39.742 1.00 7.39 O ATOM 1364 CB ASP A 192 50.350 -0.089 37.811 1.00 7.73 C ATOM 1365 CG ASP A 192 50.764 1.106 38.680 1.00 7.56 C ATOM 1366 OD1 ASP A 192 50.045 2.125 38.672 1.00 8.36 O ATOM 1367 OD2 ASP A 192 51.822 1.039 39.351 1.00 6.76 O ATOM 1368 H ASP A 192 48.367 1.760 37.598 1.00 0.00 H ATOM 1369 N ASN A 193 47.377 -0.073 39.774 1.00 6.64 N ATOM 1370 CA ASN A 193 47.023 -0.338 41.167 1.00 6.40 C ATOM 1371 C ASN A 193 46.596 -1.785 41.393 1.00 6.45 C ATOM 1372 O ASN A 193 45.797 -2.339 40.634 1.00 7.11 O ATOM 1373 CB ASN A 193 45.995 0.669 41.737 1.00 7.07 C ATOM 1374 CG ASN A 193 44.700 0.843 40.914 1.00 7.54 C ATOM 1375 OD1 ASN A 193 44.061 1.900 41.042 1.00 8.60 O ATOM 1376 ND2 ASN A 193 44.283 -0.159 40.144 1.00 8.49 N ATOM 1377 HD22 ASN A 193 44.851 -1.027 40.067 1.00 0.00 H ATOM 1378 HD21 ASN A 193 43.389 -0.074 39.620 1.00 0.00 H ATOM 1379 H ASN A 193 46.850 0.641 39.232 1.00 0.00 H ATOM 1380 N ILE A 194 47.137 -2.397 42.445 1.00 6.04 N ATOM 1381 CA ILE A 194 46.761 -3.748 42.828 1.00 6.16 C ATOM 1382 C ILE A 194 46.270 -3.745 44.274 1.00 5.79 C ATOM 1383 O ILE A 194 46.442 -2.778 45.018 1.00 6.46 O ATOM 1384 CB ILE A 194 47.879 -4.786 42.591 1.00 6.32 C ATOM 1385 CG1 ILE A 194 49.136 -4.453 43.402 1.00 6.26 C ATOM 1386 CG2 ILE A 194 48.201 -4.887 41.110 1.00 6.79 C ATOM 1387 CD1 ILE A 194 50.189 -5.561 43.407 1.00 6.97 C ATOM 1388 H ILE A 194 47.850 -1.893 43.010 1.00 0.00 H ATOM 1389 N THR A 195 45.616 -4.838 44.655 1.00 5.79 N ATOM 1390 CA THR A 195 44.938 -4.956 45.938 1.00 6.38 C ATOM 1391 C THR A 195 45.281 -6.306 46.551 1.00 6.16 C ATOM 1392 O THR A 195 45.729 -7.226 45.859 1.00 6.61 O ATOM 1393 CB THR A 195 43.414 -4.794 45.788 1.00 6.68 C ATOM 1394 OG1 THR A 195 42.873 -5.882 45.023 1.00 7.64 O ATOM 1395 CG2 THR A 195 43.071 -3.472 45.098 1.00 7.37 C ATOM 1396 HG1 THR A 195 43.289 -5.891 44.125 1.00 0.00 H ATOM 1397 H THR A 195 45.587 -5.649 44.004 1.00 0.00 H ATOM 1398 N VAL A 196 45.098 -6.425 47.867 1.00 6.51 N ATOM 1399 CA VAL A 196 45.563 -7.613 48.584 1.00 7.18 C ATOM 1400 C VAL A 196 44.551 -8.014 49.649 1.00 7.64 C ATOM 1401 O VAL A 196 44.202 -7.207 50.512 1.00 8.77 O ATOM 1402 CB VAL A 196 46.935 -7.370 49.249 1.00 8.00 C ATOM 1403 CG1 VAL A 196 47.444 -8.654 49.887 1.00 8.72 C ATOM 1404 CG2 VAL A 196 47.959 -6.816 48.254 1.00 8.57 C ATOM 1405 H VAL A 196 44.619 -5.664 48.390 1.00 0.00 H ATOM 1406 N GLY A 197 44.105 -9.264 49.608 1.00 7.76 N ATOM 1407 CA GLY A 197 43.303 -9.835 50.672 1.00 8.46 C ATOM 1408 C GLY A 197 44.167 -10.686 51.584 1.00 8.47 C ATOM 1409 O GLY A 197 45.183 -11.225 51.162 1.00 8.92 O ATOM 1410 H GLY A 197 44.339 -9.854 48.784 1.00 0.00 H ATOM 1411 N ILE A 198 43.778 -10.785 52.849 1.00 8.58 N ATOM 1412 CA ILE A 198 44.503 -11.608 53.813 1.00 10.24 C ATOM 1413 C ILE A 198 43.622 -12.795 54.177 1.00 11.48 C ATOM 1414 O ILE A 198 42.673 -12.682 54.969 1.00 11.75 O ATOM 1415 CB ILE A 198 44.946 -10.825 55.050 1.00 11.76 C ATOM 1416 CG1 ILE A 198 45.691 -9.561 54.630 1.00 12.50 C ATOM 1417 CG2 ILE A 198 45.835 -11.700 55.916 1.00 12.96 C ATOM 1418 CD1 ILE A 198 46.046 -8.666 55.777 1.00 13.09 C ATOM 1419 H ILE A 198 42.935 -10.263 53.162 1.00 0.00 H ATOM 1420 N ASP A 199 43.937 -13.946 53.592 1.00 13.08 N ATOM 1421 CA ASP A 199 43.205 -15.163 53.907 1.00 16.85 C ATOM 1422 C ASP A 199 43.284 -15.459 55.398 1.00 18.29 C ATOM 1423 O ASP A 199 44.291 -15.188 56.059 1.00 18.67 O ATOM 1424 CB ASP A 199 43.790 -16.333 53.123 1.00 21.14 C ATOM 1425 CG ASP A 199 42.943 -16.707 51.942 1.00 26.10 C ATOM 1426 OD1 ASP A 199 42.223 -15.816 51.442 1.00 28.15 O ATOM 1427 OD2 ASP A 199 42.985 -17.888 51.528 1.00 27.84 O ATOM 1428 H ASP A 199 44.715 -13.977 52.902 1.00 0.00 H ATOM 1429 N GLY A 200 42.196 -16.010 55.931 1.00 19.80 N ATOM 1430 CA GLY A 200 42.108 -16.301 57.345 1.00 20.22 C ATOM 1431 C GLY A 200 41.751 -15.115 58.207 1.00 20.47 C ATOM 1432 O GLY A 200 41.718 -15.246 59.438 1.00 22.49 O ATOM 1433 H GLY A 200 41.389 -16.237 55.315 1.00 0.00 H ATOM 1434 N THR A 201 41.500 -13.960 57.605 1.00 17.99 N ATOM 1435 CA THR A 201 41.061 -12.771 58.310 1.00 16.15 C ATOM 1436 C THR A 201 39.874 -12.187 57.566 1.00 15.55 C ATOM 1437 O THR A 201 39.500 -12.642 56.480 1.00 15.97 O ATOM 1438 CB THR A 201 42.167 -11.713 58.389 1.00 15.32 C ATOM 1439 OG1 THR A 201 42.253 -11.033 57.131 1.00 14.13 O ATOM 1440 CG2 THR A 201 43.512 -12.335 58.744 1.00 15.84 C ATOM 1441 HG1 THR A 201 42.465 -11.686 56.418 1.00 0.00 H ATOM 1442 H THR A 201 41.624 -13.904 56.574 1.00 0.00 H ATOM 1443 N ASP A 202 39.292 -11.147 58.150 1.00 14.86 N ATOM 1444 CA ASP A 202 38.237 -10.398 57.490 1.00 14.00 C ATOM 1445 C ASP A 202 38.759 -9.147 56.792 1.00 11.38 C ATOM 1446 O ASP A 202 37.981 -8.229 56.531 1.00 10.74 O ATOM 1447 CB ASP A 202 37.107 -10.069 58.475 1.00 15.96 C ATOM 1448 CG ASP A 202 37.557 -9.182 59.633 1.00 17.98 C ATOM 1449 OD1 ASP A 202 38.730 -8.757 59.675 1.00 17.77 O ATOM 1450 OD2 ASP A 202 36.720 -8.910 60.523 1.00 20.31 O ATOM 1451 H ASP A 202 39.598 -10.862 59.102 1.00 0.00 H ATOM 1452 N ILE A 203 40.053 -9.104 56.468 1.00 10.41 N ATOM 1453 CA ILE A 203 40.722 -7.887 56.017 1.00 10.07 C ATOM 1454 C ILE A 203 41.039 -7.977 54.528 1.00 9.04 C ATOM 1455 O ILE A 203 41.575 -8.987 54.056 1.00 9.12 O ATOM 1456 CB ILE A 203 42.013 -7.641 56.819 1.00 10.47 C ATOM 1457 CG1 ILE A 203 41.703 -7.426 58.300 1.00 11.91 C ATOM 1458 CG2 ILE A 203 42.800 -6.466 56.238 1.00 11.34 C ATOM 1459 CD1 ILE A 203 42.929 -7.470 59.194 1.00 13.02 C ATOM 1460 H ILE A 203 40.611 -9.979 56.540 1.00 0.00 H ATOM 1461 N ALA A 204 40.747 -6.896 53.798 1.00 8.76 N ATOM 1462 CA ALA A 204 41.283 -6.672 52.463 1.00 9.17 C ATOM 1463 C ALA A 204 41.797 -5.243 52.351 1.00 8.50 C ATOM 1464 O ALA A 204 41.273 -4.317 52.982 1.00 9.69 O ATOM 1465 CB ALA A 204 40.263 -6.945 51.359 1.00 10.41 C ATOM 1466 H ALA A 204 40.108 -6.182 54.202 1.00 0.00 H ATOM 1467 N PHE A 205 42.833 -5.081 51.533 1.00 7.68 N ATOM 1468 CA PHE A 205 43.562 -3.824 51.401 1.00 7.49 C ATOM 1469 C PHE A 205 43.348 -3.271 49.997 1.00 6.96 C ATOM 1470 O PHE A 205 43.765 -3.894 49.008 1.00 7.17 O ATOM 1471 CB PHE A 205 45.051 -4.048 51.644 1.00 7.87 C ATOM 1472 CG PHE A 205 45.883 -2.796 51.560 1.00 7.72 C ATOM 1473 CD1 PHE A 205 45.806 -1.832 52.548 1.00 9.33 C ATOM 1474 CD2 PHE A 205 46.774 -2.609 50.513 1.00 8.03 C ATOM 1475 CE1 PHE A 205 46.583 -0.694 52.490 1.00 9.85 C ATOM 1476 CE2 PHE A 205 47.564 -1.475 50.447 1.00 8.38 C ATOM 1477 CZ PHE A 205 47.470 -0.513 51.441 1.00 8.75 C ATOM 1478 H PHE A 205 43.139 -5.892 50.958 1.00 0.00 H ATOM 1479 N GLY A 206 42.712 -2.103 49.914 1.00 7.59 N ATOM 1480 CA GLY A 206 42.473 -1.468 48.642 1.00 8.22 C ATOM 1481 C GLY A 206 43.512 -0.461 48.222 1.00 8.48 C ATOM 1482 O GLY A 206 43.446 0.054 47.103 1.00 9.35 O ATOM 1483 H GLY A 206 42.381 -1.640 50.785 1.00 0.00 H ATOM 1484 N GLY A 207 44.465 -0.143 49.093 1.00 8.52 N ATOM 1485 CA GLY A 207 45.477 0.831 48.719 1.00 8.64 C ATOM 1486 C GLY A 207 44.862 2.172 48.395 1.00 8.70 C ATOM 1487 O GLY A 207 43.924 2.635 49.057 1.00 10.26 O ATOM 1488 H GLY A 207 44.486 -0.587 50.033 1.00 0.00 H ATOM 1489 N CYS A 208 45.374 2.815 47.355 1.00 8.18 N ATOM 1490 CA CYS A 208 44.818 4.122 47.028 1.00 9.29 C ATOM 1491 C CYS A 208 43.590 4.058 46.137 1.00 8.86 C ATOM 1492 O CYS A 208 43.018 5.106 45.813 1.00 10.25 O ATOM 1493 CB CYS A 208 45.850 5.074 46.439 1.00 9.80 C ATOM 1494 SG CYS A 208 47.255 5.427 47.448 1.00 9.41 S ATOM 1495 H CYS A 208 46.145 2.402 46.792 1.00 0.00 H ATOM 1496 N LEU A 209 43.148 2.863 45.759 1.00 8.36 N ATOM 1497 CA LEU A 209 41.917 2.754 44.989 1.00 8.46 C ATOM 1498 C LEU A 209 40.702 3.153 45.825 1.00 8.28 C ATOM 1499 O LEU A 209 39.772 3.800 45.319 1.00 8.69 O ATOM 1500 CB LEU A 209 41.775 1.319 44.493 1.00 8.74 C ATOM 1501 CG LEU A 209 40.521 1.013 43.684 1.00 9.29 C ATOM 1502 CD1 LEU A 209 40.569 1.708 42.333 1.00 9.86 C ATOM 1503 CD2 LEU A 209 40.392 -0.486 43.524 1.00 10.22 C ATOM 1504 H LEU A 209 43.681 2.007 46.013 1.00 0.00 H ATOM 1505 N ILE A 210 40.680 2.768 47.099 1.00 8.43 N ATOM 1506 CA ILE A 210 39.495 2.893 47.946 1.00 8.74 C ATOM 1507 C ILE A 210 39.674 4.051 48.917 1.00 8.57 C ATOM 1508 O ILE A 210 40.748 4.221 49.508 1.00 8.72 O ATOM 1509 CB ILE A 210 39.222 1.575 48.697 1.00 9.96 C ATOM 1510 CG1 ILE A 210 39.037 0.418 47.703 1.00 10.44 C ATOM 1511 CG2 ILE A 210 38.038 1.728 49.639 1.00 11.41 C ATOM 1512 CD1 ILE A 210 37.887 0.616 46.719 1.00 11.02 C ATOM 1513 H ILE A 210 41.544 2.360 47.510 1.00 0.00 H ATOM 1514 N LYS A 211 38.626 4.861 49.060 1.00 9.11 N ATOM 1515 CA LYS A 211 38.536 5.918 50.057 1.00 10.35 C ATOM 1516 C LYS A 211 37.466 5.550 51.076 1.00 10.46 C ATOM 1517 O LYS A 211 36.606 4.705 50.818 1.00 10.69 O ATOM 1518 CB LYS A 211 38.156 7.256 49.413 1.00 12.12 C ATOM 1519 CG LYS A 211 38.795 7.501 48.068 1.00 14.24 C ATOM 1520 CD LYS A 211 40.302 7.558 48.185 1.00 15.70 C ATOM 1521 CE LYS A 211 40.951 7.447 46.825 1.00 17.36 C ATOM 1522 NZ LYS A 211 42.424 7.608 46.910 1.00 17.46 N ATOM 1523 HZ1 LYS A 211 42.647 8.543 47.306 1.00 0.00 H ATOM 1524 HZ2 LYS A 211 42.818 6.867 47.525 1.00 0.00 H ATOM 1525 HZ3 LYS A 211 42.836 7.526 45.959 1.00 0.00 H ATOM 1526 H LYS A 211 37.819 4.730 48.417 1.00 0.00 H ATOM 1527 N ASP A 212 37.503 6.209 52.233 1.00 11.17 N ATOM 1528 CA ASP A 212 36.588 5.819 53.298 1.00 12.78 C ATOM 1529 C ASP A 212 35.156 6.241 52.970 1.00 12.37 C ATOM 1530 O ASP A 212 34.901 7.037 52.059 1.00 12.30 O ATOM 1531 CB ASP A 212 37.046 6.366 54.650 1.00 15.97 C ATOM 1532 CG ASP A 212 36.899 7.872 54.749 1.00 18.59 C ATOM 1533 OD1 ASP A 212 35.767 8.351 54.960 1.00 19.80 O ATOM 1534 OD2 ASP A 212 37.915 8.584 54.631 1.00 21.90 O ATOM 1535 H ASP A 212 38.175 6.990 52.374 1.00 0.00 H ATOM 1536 N SER A 213 34.215 5.691 53.741 1.00 12.15 N ATOM 1537 CA SER A 213 32.791 5.836 53.451 1.00 13.82 C ATOM 1538 C SER A 213 32.279 7.264 53.589 1.00 15.02 C ATOM 1539 O SER A 213 31.163 7.541 53.138 1.00 15.47 O ATOM 1540 CB SER A 213 31.964 4.903 54.339 1.00 15.47 C ATOM 1541 OG SER A 213 32.132 5.218 55.711 1.00 17.77 O ATOM 1542 HG SER A 213 33.087 5.123 55.956 1.00 0.00 H ATOM 1543 H SER A 213 34.505 5.142 54.575 1.00 0.00 H ATOM 1544 N LYS A 214 33.040 8.165 54.209 1.00 15.73 N ATOM 1545 CA LYS A 214 32.652 9.565 54.328 1.00 17.91 C ATOM 1546 C LYS A 214 33.555 10.489 53.523 1.00 16.49 C ATOM 1547 O LYS A 214 33.459 11.715 53.663 1.00 17.78 O ATOM 1548 CB LYS A 214 32.629 9.997 55.797 1.00 21.84 C ATOM 1549 CG LYS A 214 31.708 9.174 56.676 1.00 25.65 C ATOM 1550 CD LYS A 214 30.283 9.216 56.159 1.00 28.79 C ATOM 1551 CE LYS A 214 29.284 8.898 57.259 1.00 30.87 C ATOM 1552 NZ LYS A 214 28.096 8.171 56.727 1.00 31.87 N ATOM 1553 HZ1 LYS A 214 27.622 8.760 56.012 1.00 0.00 H ATOM 1554 HZ2 LYS A 214 28.404 7.277 56.293 1.00 0.00 H ATOM 1555 HZ3 LYS A 214 27.436 7.971 57.506 1.00 0.00 H ATOM 1556 H LYS A 214 33.943 7.858 54.623 1.00 0.00 H ATOM 1557 N ALA A 215 34.424 9.935 52.681 1.00 15.19 N ATOM 1558 CA ALA A 215 35.393 10.752 51.964 1.00 14.42 C ATOM 1559 C ALA A 215 34.681 11.726 51.037 1.00 14.22 C ATOM 1560 O ALA A 215 33.660 11.397 50.425 1.00 13.46 O ATOM 1561 CB ALA A 215 36.332 9.856 51.153 1.00 15.13 C ATOM 1562 H ALA A 215 34.411 8.906 52.533 1.00 0.00 H ATOM 1563 N LYS A 216 35.224 12.934 50.932 1.00 15.85 N ATOM 1564 CA LYS A 216 34.627 13.947 50.079 1.00 18.11 C ATOM 1565 C LYS A 216 35.146 13.908 48.650 1.00 18.19 C ATOM 1566 O LYS A 216 34.537 14.517 47.768 1.00 19.72 O ATOM 1567 CB LYS A 216 34.835 15.340 50.679 1.00 22.02 C ATOM 1568 CG LYS A 216 33.852 15.662 51.786 1.00 25.46 C ATOM 1569 CD LYS A 216 34.162 16.997 52.442 1.00 28.37 C ATOM 1570 CE LYS A 216 34.402 18.081 51.406 1.00 30.58 C ATOM 1571 NZ LYS A 216 34.256 19.441 51.991 1.00 31.83 N ATOM 1572 HZ1 LYS A 216 33.293 19.554 52.367 1.00 0.00 H ATOM 1573 HZ2 LYS A 216 34.946 19.562 52.759 1.00 0.00 H ATOM 1574 HZ3 LYS A 216 34.427 20.154 51.254 1.00 0.00 H ATOM 1575 H LYS A 216 36.087 13.157 51.467 1.00 0.00 H ATOM 1576 N SER A 217 36.240 13.203 48.386 1.00 17.65 N ATOM 1577 CA SER A 217 36.757 13.141 47.029 1.00 18.10 C ATOM 1578 C SER A 217 37.546 11.858 46.845 1.00 16.80 C ATOM 1579 O SER A 217 37.777 11.097 47.790 1.00 16.82 O ATOM 1580 CB SER A 217 37.641 14.347 46.702 1.00 19.62 C ATOM 1581 OG SER A 217 38.958 14.162 47.186 1.00 20.63 O ATOM 1582 HG SER A 217 39.506 14.955 46.961 1.00 0.00 H ATOM 1583 H SER A 217 36.727 12.695 49.151 1.00 0.00 H ATOM 1584 N LEU A 218 37.960 11.632 45.603 1.00 15.32 N ATOM 1585 CA LEU A 218 38.809 10.504 45.255 1.00 14.48 C ATOM 1586 C LEU A 218 40.294 10.839 45.318 1.00 14.31 C ATOM 1587 O LEU A 218 41.113 10.059 44.827 1.00 15.19 O ATOM 1588 CB LEU A 218 38.423 9.959 43.879 1.00 14.73 C ATOM 1589 CG LEU A 218 37.019 9.353 43.834 1.00 15.88 C ATOM 1590 CD1 LEU A 218 36.569 9.157 42.397 1.00 17.23 C ATOM 1591 CD2 LEU A 218 36.955 8.041 44.611 1.00 15.75 C ATOM 1592 H LEU A 218 37.666 12.287 44.851 1.00 0.00 H ATOM 1593 N GLY A 219 40.655 11.978 45.907 1.00 14.11 N ATOM 1594 CA GLY A 219 42.061 12.275 46.140 1.00 14.42 C ATOM 1595 C GLY A 219 42.807 12.621 44.864 1.00 13.74 C ATOM 1596 O GLY A 219 42.303 13.325 43.982 1.00 14.29 O ATOM 1597 H GLY A 219 39.927 12.660 46.202 1.00 0.00 H ATOM 1598 N ASN A 220 44.037 12.128 44.763 1.00 13.15 N ATOM 1599 CA ASN A 220 44.906 12.469 43.642 1.00 12.39 C ATOM 1600 C ASN A 220 44.516 11.645 42.422 1.00 12.13 C ATOM 1601 O ASN A 220 44.779 10.438 42.367 1.00 12.69 O ATOM 1602 CB ASN A 220 46.366 12.212 43.996 1.00 12.36 C ATOM 1603 CG ASN A 220 47.272 12.307 42.782 1.00 12.66 C ATOM 1604 OD1 ASN A 220 47.050 13.144 41.903 1.00 13.50 O ATOM 1605 ND2 ASN A 220 48.290 11.453 42.720 1.00 12.14 N ATOM 1606 HD22 ASN A 220 48.438 10.764 43.485 1.00 0.00 H ATOM 1607 HD21 ASN A 220 48.938 11.474 41.907 1.00 0.00 H ATOM 1608 H ASN A 220 44.388 11.484 45.500 1.00 0.00 H ATOM 1609 N LEU A 221 43.920 12.304 41.431 1.00 12.41 N ATOM 1610 CA LEU A 221 43.531 11.673 40.178 1.00 13.19 C ATOM 1611 C LEU A 221 44.535 11.929 39.055 1.00 12.39 C ATOM 1612 O LEU A 221 44.232 11.649 37.891 1.00 13.26 O ATOM 1613 CB LEU A 221 42.116 12.107 39.771 1.00 14.72 C ATOM 1614 CG LEU A 221 40.971 11.689 40.711 1.00 15.80 C ATOM 1615 CD1 LEU A 221 39.632 12.259 40.246 1.00 16.77 C ATOM 1616 CD2 LEU A 221 40.889 10.171 40.839 1.00 16.00 C ATOM 1617 H LEU A 221 43.723 13.317 41.558 1.00 0.00 H ATOM 1618 N GLY A 222 45.729 12.434 39.381 1.00 12.01 N ATOM 1619 CA GLY A 222 46.680 12.808 38.343 1.00 12.03 C ATOM 1620 C GLY A 222 47.054 11.677 37.403 1.00 12.11 C ATOM 1621 O GLY A 222 47.293 11.907 36.212 1.00 13.65 O ATOM 1622 H GLY A 222 45.981 12.561 40.382 1.00 0.00 H ATOM 1623 N ASP A 223 47.119 10.448 37.914 1.00 10.39 N ATOM 1624 CA ASP A 223 47.449 9.283 37.104 1.00 10.07 C ATOM 1625 C ASP A 223 46.280 8.313 36.986 1.00 10.00 C ATOM 1626 O ASP A 223 46.474 7.151 36.614 1.00 9.56 O ATOM 1627 CB ASP A 223 48.693 8.581 37.655 1.00 10.62 C ATOM 1628 CG ASP A 223 49.950 9.412 37.489 1.00 11.39 C ATOM 1629 OD1 ASP A 223 50.190 9.903 36.370 1.00 13.75 O ATOM 1630 OD2 ASP A 223 50.691 9.598 38.474 1.00 11.39 O ATOM 1631 H ASP A 223 46.927 10.316 38.928 1.00 0.00 H ATOM 1632 N ALA A 224 45.068 8.774 37.275 1.00 10.27 N ATOM 1633 CA ALA A 224 43.913 7.902 37.364 1.00 11.14 C ATOM 1634 C ALA A 224 43.304 7.627 35.994 1.00 11.65 C ATOM 1635 O ALA A 224 43.484 8.380 35.030 1.00 12.72 O ATOM 1636 CB ALA A 224 42.853 8.526 38.271 1.00 11.22 C ATOM 1637 H ALA A 224 44.944 9.793 37.443 1.00 0.00 H ATOM 1638 N ASP A 225 42.564 6.522 35.930 1.00 11.88 N ATOM 1639 CA ASP A 225 41.707 6.176 34.799 1.00 12.54 C ATOM 1640 C ASP A 225 40.276 6.457 35.248 1.00 12.72 C ATOM 1641 O ASP A 225 39.648 5.631 35.919 1.00 12.77 O ATOM 1642 CB ASP A 225 41.905 4.706 34.446 1.00 13.69 C ATOM 1643 CG ASP A 225 41.124 4.283 33.211 1.00 15.26 C ATOM 1644 OD1 ASP A 225 40.011 4.799 32.984 1.00 15.35 O ATOM 1645 OD2 ASP A 225 41.621 3.412 32.470 1.00 17.15 O ATOM 1646 H ASP A 225 42.598 5.865 36.735 1.00 0.00 H ATOM 1647 N THR A 226 39.766 7.638 34.890 1.00 14.40 N ATOM 1648 CA THR A 226 38.479 8.075 35.423 1.00 16.36 C ATOM 1649 C THR A 226 37.315 7.290 34.831 1.00 15.68 C ATOM 1650 O THR A 226 36.290 7.107 35.500 1.00 17.23 O ATOM 1651 CB THR A 226 38.300 9.574 35.196 1.00 19.12 C ATOM 1652 OG1 THR A 226 38.429 9.865 33.798 1.00 20.06 O ATOM 1653 CG2 THR A 226 39.354 10.355 35.976 1.00 20.24 C ATOM 1654 HG1 THR A 226 37.736 9.369 33.294 1.00 0.00 H ATOM 1655 H THR A 226 40.287 8.249 34.229 1.00 0.00 H ATOM 1656 N GLU A 227 37.458 6.815 33.591 1.00 15.26 N ATOM 1657 CA GLU A 227 36.389 6.058 32.947 1.00 15.75 C ATOM 1658 C GLU A 227 36.165 4.715 33.631 1.00 14.42 C ATOM 1659 O GLU A 227 35.022 4.264 33.767 1.00 14.53 O ATOM 1660 CB GLU A 227 36.724 5.857 31.467 1.00 17.76 C ATOM 1661 CG GLU A 227 35.869 4.816 30.755 1.00 19.82 C ATOM 1662 CD GLU A 227 36.296 4.588 29.314 1.00 21.30 C ATOM 1663 OE1 GLU A 227 35.599 3.838 28.597 1.00 21.82 O ATOM 1664 OE2 GLU A 227 37.327 5.156 28.897 1.00 22.12 O ATOM 1665 H GLU A 227 38.345 6.987 33.076 1.00 0.00 H ATOM 1666 N HIS A 228 37.239 4.065 34.075 1.00 13.30 N ATOM 1667 CA HIS A 228 37.170 2.705 34.598 1.00 12.90 C ATOM 1668 C HIS A 228 37.176 2.623 36.118 1.00 10.68 C ATOM 1669 O HIS A 228 37.008 1.525 36.659 1.00 10.11 O ATOM 1670 CB HIS A 228 38.301 1.847 34.019 1.00 15.32 C ATOM 1671 CG HIS A 228 38.229 1.686 32.534 1.00 18.10 C ATOM 1672 ND1 HIS A 228 39.127 2.283 31.675 1.00 19.13 N ATOM 1673 CD2 HIS A 228 37.355 1.010 31.752 1.00 19.75 C ATOM 1674 CE1 HIS A 228 38.814 1.977 30.429 1.00 20.14 C ATOM 1675 NE2 HIS A 228 37.743 1.203 30.448 1.00 20.51 N ATOM 1676 H HIS A 228 38.161 4.545 34.048 1.00 0.00 H ATOM 1677 N TYR A 229 37.336 3.754 36.811 1.00 10.30 N ATOM 1678 CA TYR A 229 37.519 3.747 38.259 1.00 9.63 C ATOM 1679 C TYR A 229 36.380 3.027 38.974 1.00 9.35 C ATOM 1680 O TYR A 229 36.622 2.158 39.819 1.00 9.39 O ATOM 1681 CB TYR A 229 37.661 5.189 38.755 1.00 10.03 C ATOM 1682 CG TYR A 229 38.371 5.368 40.083 1.00 9.40 C ATOM 1683 CD1 TYR A 229 37.961 4.683 41.218 1.00 9.74 C ATOM 1684 CD2 TYR A 229 39.425 6.263 40.209 1.00 9.65 C ATOM 1685 CE1 TYR A 229 38.599 4.857 42.436 1.00 9.82 C ATOM 1686 CE2 TYR A 229 40.069 6.450 41.418 1.00 9.53 C ATOM 1687 CZ TYR A 229 39.655 5.743 42.529 1.00 9.41 C ATOM 1688 OH TYR A 229 40.307 5.933 43.728 1.00 9.67 O ATOM 1689 HH TYR A 229 39.895 5.359 44.421 1.00 0.00 H ATOM 1690 H TYR A 229 37.330 4.663 36.306 1.00 0.00 H ATOM 1691 N ALA A 230 35.129 3.385 38.662 1.00 9.46 N ATOM 1692 CA ALA A 230 34.002 2.813 39.396 1.00 9.76 C ATOM 1693 C ALA A 230 33.972 1.296 39.271 1.00 9.13 C ATOM 1694 O ALA A 230 33.773 0.579 40.262 1.00 10.00 O ATOM 1695 CB ALA A 230 32.687 3.419 38.905 1.00 10.47 C ATOM 1696 H ALA A 230 34.959 4.070 37.898 1.00 0.00 H ATOM 1697 N ALA A 231 34.147 0.787 38.049 1.00 9.87 N ATOM 1698 CA ALA A 231 34.122 -0.656 37.843 1.00 10.27 C ATOM 1699 C ALA A 231 35.268 -1.331 38.581 1.00 9.43 C ATOM 1700 O ALA A 231 35.102 -2.425 39.132 1.00 9.98 O ATOM 1701 CB ALA A 231 34.187 -0.984 36.353 1.00 11.54 C ATOM 1702 H ALA A 231 34.302 1.423 37.241 1.00 0.00 H ATOM 1703 N SER A 232 36.436 -0.685 38.621 1.00 9.11 N ATOM 1704 CA SER A 232 37.578 -1.277 39.309 1.00 9.03 C ATOM 1705 C SER A 232 37.348 -1.330 40.815 1.00 8.71 C ATOM 1706 O SER A 232 37.666 -2.335 41.461 1.00 8.73 O ATOM 1707 CB SER A 232 38.845 -0.504 38.967 1.00 9.63 C ATOM 1708 OG SER A 232 39.089 -0.599 37.576 1.00 10.66 O ATOM 1709 HG SER A 232 39.912 -0.097 37.352 1.00 0.00 H ATOM 1710 H SER A 232 36.532 0.243 38.160 1.00 0.00 H ATOM 1711 N ALA A 233 36.781 -0.264 41.392 1.00 8.49 N ATOM 1712 CA ALA A 233 36.436 -0.306 42.808 1.00 9.18 C ATOM 1713 C ALA A 233 35.459 -1.440 43.104 1.00 8.68 C ATOM 1714 O ALA A 233 35.620 -2.170 44.089 1.00 9.07 O ATOM 1715 CB ALA A 233 35.867 1.045 43.241 1.00 9.98 C ATOM 1716 H ALA A 233 36.587 0.591 40.833 1.00 0.00 H ATOM 1717 N ARG A 234 34.433 -1.604 42.261 1.00 9.10 N ATOM 1718 CA ARG A 234 33.471 -2.681 42.475 1.00 9.61 C ATOM 1719 C ARG A 234 34.101 -4.052 42.288 1.00 9.36 C ATOM 1720 O ARG A 234 33.756 -4.991 43.016 1.00 10.47 O ATOM 1721 CB ARG A 234 32.253 -2.495 41.570 1.00 10.33 C ATOM 1722 CG ARG A 234 31.455 -1.257 41.947 1.00 11.13 C ATOM 1723 CD ARG A 234 30.142 -1.092 41.190 1.00 11.73 C ATOM 1724 NE ARG A 234 29.400 0.015 41.786 1.00 11.55 N ATOM 1725 CZ ARG A 234 29.206 1.205 41.220 1.00 10.98 C ATOM 1726 NH1 ARG A 234 29.652 1.456 39.995 1.00 11.59 N ATOM 1727 NH2 ARG A 234 28.556 2.147 41.885 1.00 11.72 N ATOM 1728 HE ARG A 234 28.989 -0.138 42.729 1.00 0.00 H ATOM 1729 HH12 ARG A 234 29.494 2.390 39.565 1.00 0.00 H ATOM 1730 HH11 ARG A 234 30.160 0.719 39.465 1.00 0.00 H ATOM 1731 HH22 ARG A 234 28.401 3.078 41.449 1.00 0.00 H ATOM 1732 HH21 ARG A 234 28.200 1.956 42.843 1.00 0.00 H ATOM 1733 H ARG A 234 34.320 -0.962 41.451 1.00 0.00 H ATOM 1734 N ALA A 235 35.055 -4.177 41.356 1.00 9.93 N ATOM 1735 CA ALA A 235 35.722 -5.460 41.153 1.00 10.16 C ATOM 1736 C ALA A 235 36.543 -5.855 42.374 1.00 8.86 C ATOM 1737 O ALA A 235 36.603 -7.036 42.728 1.00 9.41 O ATOM 1738 CB ALA A 235 36.594 -5.408 39.899 1.00 10.43 C ATOM 1739 H ALA A 235 35.322 -3.357 40.775 1.00 0.00 H ATOM 1740 N PHE A 236 37.178 -4.877 43.032 1.00 8.55 N ATOM 1741 CA PHE A 236 37.866 -5.149 44.292 1.00 8.55 C ATOM 1742 C PHE A 236 36.909 -5.740 45.323 1.00 8.35 C ATOM 1743 O PHE A 236 37.212 -6.760 45.957 1.00 9.07 O ATOM 1744 CB PHE A 236 38.533 -3.873 44.813 1.00 8.47 C ATOM 1745 CG PHE A 236 38.951 -3.949 46.258 1.00 8.00 C ATOM 1746 CD1 PHE A 236 40.033 -4.727 46.652 1.00 7.92 C ATOM 1747 CD2 PHE A 236 38.253 -3.236 47.223 1.00 8.54 C ATOM 1748 CE1 PHE A 236 40.417 -4.783 47.987 1.00 7.76 C ATOM 1749 CE2 PHE A 236 38.625 -3.290 48.556 1.00 9.31 C ATOM 1750 CZ PHE A 236 39.714 -4.056 48.937 1.00 8.19 C ATOM 1751 H PHE A 236 37.182 -3.913 42.642 1.00 0.00 H ATOM 1752 N GLY A 237 35.730 -5.120 45.490 1.00 9.13 N ATOM 1753 CA GLY A 237 34.753 -5.662 46.425 1.00 9.75 C ATOM 1754 C GLY A 237 34.332 -7.078 46.078 1.00 9.17 C ATOM 1755 O GLY A 237 34.208 -7.933 46.958 1.00 10.96 O ATOM 1756 H GLY A 237 35.515 -4.255 44.954 1.00 0.00 H ATOM 1757 N ALA A 238 34.132 -7.349 44.787 1.00 9.81 N ATOM 1758 CA ALA A 238 33.672 -8.670 44.370 1.00 10.58 C ATOM 1759 C ALA A 238 34.752 -9.732 44.536 1.00 11.13 C ATOM 1760 O ALA A 238 34.433 -10.920 44.691 1.00 12.31 O ATOM 1761 CB ALA A 238 33.204 -8.631 42.915 1.00 11.93 C ATOM 1762 H ALA A 238 34.305 -6.613 44.072 1.00 0.00 H ATOM 1763 N ALA A 239 36.026 -9.331 44.485 1.00 10.88 N ATOM 1764 CA ALA A 239 37.118 -10.285 44.623 1.00 10.43 C ATOM 1765 C ALA A 239 37.274 -10.763 46.058 1.00 10.06 C ATOM 1766 O ALA A 239 37.744 -11.885 46.289 1.00 11.20 O ATOM 1767 CB ALA A 239 38.423 -9.658 44.138 1.00 10.50 C ATOM 1768 H ALA A 239 36.241 -8.323 44.345 1.00 0.00 H ATOM 1769 N PHE A 240 36.885 -9.934 47.025 1.00 9.51 N ATOM 1770 CA PHE A 240 37.062 -10.226 48.448 1.00 9.94 C ATOM 1771 C PHE A 240 35.729 -10.081 49.173 1.00 10.52 C ATOM 1772 O PHE A 240 35.568 -9.226 50.048 1.00 10.60 O ATOM 1773 CB PHE A 240 38.129 -9.308 49.041 1.00 9.80 C ATOM 1774 CG PHE A 240 39.454 -9.396 48.331 1.00 9.53 C ATOM 1775 CD1 PHE A 240 40.226 -10.535 48.433 1.00 10.45 C ATOM 1776 CD2 PHE A 240 39.916 -8.346 47.559 1.00 9.48 C ATOM 1777 CE1 PHE A 240 41.446 -10.626 47.784 1.00 10.29 C ATOM 1778 CE2 PHE A 240 41.137 -8.423 46.901 1.00 9.74 C ATOM 1779 CZ PHE A 240 41.902 -9.569 47.014 1.00 10.26 C ATOM 1780 H PHE A 240 36.434 -9.036 46.756 1.00 0.00 H ATOM 1781 N PRO A 241 34.744 -10.916 48.835 1.00 11.70 N ATOM 1782 CA PRO A 241 33.405 -10.736 49.423 1.00 14.27 C ATOM 1783 C PRO A 241 33.363 -10.945 50.925 1.00 17.28 C ATOM 1784 O PRO A 241 32.462 -10.409 51.583 1.00 19.64 O ATOM 1785 CB PRO A 241 32.551 -11.777 48.683 1.00 15.34 C ATOM 1786 CG PRO A 241 33.532 -12.825 48.258 1.00 14.32 C ATOM 1787 CD PRO A 241 34.793 -12.070 47.919 1.00 12.60 C ATOM 1788 N LYS A 242 34.303 -11.702 51.492 1.00 18.66 N ATOM 1789 CA LYS A 242 34.305 -11.966 52.927 1.00 20.99 C ATOM 1790 C LYS A 242 34.956 -10.856 53.734 1.00 19.73 C ATOM 1791 O LYS A 242 34.881 -10.882 54.967 1.00 21.87 O ATOM 1792 CB LYS A 242 35.039 -13.277 53.233 1.00 24.78 C ATOM 1793 CG LYS A 242 34.362 -14.534 52.722 1.00 28.12 C ATOM 1794 CD LYS A 242 35.128 -15.775 53.172 1.00 30.74 C ATOM 1795 CE LYS A 242 34.709 -17.013 52.399 1.00 32.72 C ATOM 1796 NZ LYS A 242 35.649 -18.145 52.627 1.00 33.84 N ATOM 1797 HZ1 LYS A 242 36.603 -17.870 52.316 1.00 0.00 H ATOM 1798 HZ2 LYS A 242 35.667 -18.380 53.640 1.00 0.00 H ATOM 1799 HZ3 LYS A 242 35.331 -18.973 52.084 1.00 0.00 H ATOM 1800 H LYS A 242 35.051 -12.113 50.898 1.00 0.00 H ATOM 1801 N ALA A 243 35.595 -9.892 53.083 1.00 15.69 N ATOM 1802 CA ALA A 243 36.351 -8.868 53.793 1.00 13.62 C ATOM 1803 C ALA A 243 35.393 -7.824 54.352 1.00 13.15 C ATOM 1804 O ALA A 243 34.826 -7.021 53.602 1.00 15.36 O ATOM 1805 CB ALA A 243 37.373 -8.224 52.865 1.00 13.27 C ATOM 1806 H ALA A 243 35.555 -9.867 52.044 1.00 0.00 H ATOM 1807 N SER A 244 35.217 -7.827 55.671 1.00 12.15 N ATOM 1808 CA SER A 244 34.390 -6.826 56.325 1.00 13.01 C ATOM 1809 C SER A 244 35.191 -5.630 56.814 1.00 12.18 C ATOM 1810 O SER A 244 34.601 -4.579 57.095 1.00 14.18 O ATOM 1811 CB SER A 244 33.628 -7.447 57.498 1.00 14.70 C ATOM 1812 OG SER A 244 34.515 -8.037 58.430 1.00 16.26 O ATOM 1813 HG SER A 244 33.995 -8.429 59.176 1.00 0.00 H ATOM 1814 H SER A 244 35.680 -8.560 56.245 1.00 0.00 H ATOM 1815 N MET A 245 36.513 -5.763 56.919 1.00 10.99 N ATOM 1816 CA MET A 245 37.394 -4.666 57.294 1.00 11.02 C ATOM 1817 C MET A 245 38.208 -4.284 56.067 1.00 9.78 C ATOM 1818 O MET A 245 39.034 -5.073 55.590 1.00 10.82 O ATOM 1819 CB MET A 245 38.312 -5.041 58.450 1.00 12.17 C ATOM 1820 CG MET A 245 39.161 -3.859 58.877 1.00 13.59 C ATOM 1821 SD MET A 245 40.489 -4.228 60.022 1.00 16.14 S ATOM 1822 CE MET A 245 39.661 -5.261 61.221 1.00 17.75 C ATOM 1823 H MET A 245 36.935 -6.693 56.724 1.00 0.00 H ATOM 1824 N ILE A 246 37.959 -3.085 55.557 1.00 9.17 N ATOM 1825 CA ILE A 246 38.639 -2.570 54.377 1.00 9.00 C ATOM 1826 C ILE A 246 39.705 -1.584 54.830 1.00 8.54 C ATOM 1827 O ILE A 246 39.400 -0.544 55.428 1.00 9.14 O ATOM 1828 CB ILE A 246 37.650 -1.933 53.389 1.00 9.67 C ATOM 1829 CG1 ILE A 246 36.522 -2.914 53.039 1.00 10.50 C ATOM 1830 CG2 ILE A 246 38.375 -1.476 52.130 1.00 10.21 C ATOM 1831 CD1 ILE A 246 37.009 -4.234 52.475 1.00 10.85 C ATOM 1832 H ILE A 246 37.246 -2.486 56.021 1.00 0.00 H ATOM 1833 N VAL A 247 40.950 -1.929 54.564 1.00 8.03 N ATOM 1834 CA VAL A 247 42.105 -1.089 54.853 1.00 8.26 C ATOM 1835 C VAL A 247 42.466 -0.338 53.578 1.00 8.23 C ATOM 1836 O VAL A 247 42.354 -0.879 52.468 1.00 9.17 O ATOM 1837 CB VAL A 247 43.276 -1.960 55.355 1.00 8.74 C ATOM 1838 CG1 VAL A 247 44.481 -1.102 55.740 1.00 9.49 C ATOM 1839 CG2 VAL A 247 42.830 -2.803 56.538 1.00 9.87 C ATOM 1840 H VAL A 247 41.117 -2.855 54.122 1.00 0.00 H ATOM 1841 N MET A 248 42.905 0.909 53.729 1.00 8.88 N ATOM 1842 CA MET A 248 43.168 1.753 52.575 1.00 9.22 C ATOM 1843 C MET A 248 44.305 2.706 52.913 1.00 9.00 C ATOM 1844 O MET A 248 44.740 2.803 54.062 1.00 9.14 O ATOM 1845 CB MET A 248 41.906 2.495 52.128 1.00 11.23 C ATOM 1846 CG MET A 248 41.392 3.507 53.135 1.00 12.87 C ATOM 1847 SD MET A 248 39.599 3.732 53.054 1.00 13.68 S ATOM 1848 CE MET A 248 39.043 2.408 54.111 1.00 14.05 C ATOM 1849 H MET A 248 43.062 1.285 54.686 1.00 0.00 H ATOM 1850 N SER A 249 44.775 3.429 51.894 1.00 9.36 N ATOM 1851 CA SER A 249 46.024 4.167 52.049 1.00 9.29 C ATOM 1852 C SER A 249 45.902 5.392 52.944 1.00 9.61 C ATOM 1853 O SER A 249 46.879 5.737 53.611 1.00 10.28 O ATOM 1854 CB SER A 249 46.583 4.601 50.699 1.00 9.00 C ATOM 1855 OG SER A 249 47.119 3.496 50.003 1.00 9.23 O ATOM 1856 HG SER A 249 47.476 3.799 49.131 1.00 0.00 H ATOM 1857 H SER A 249 44.254 3.466 50.995 1.00 0.00 H ATOM 1858 N HIS A 250 44.761 6.090 52.952 1.00 11.39 N ATOM 1859 CA HIS A 250 44.723 7.416 53.561 1.00 13.74 C ATOM 1860 C HIS A 250 43.616 7.617 54.588 1.00 15.55 C ATOM 1861 O HIS A 250 43.337 8.762 54.965 1.00 17.98 O ATOM 1862 CB HIS A 250 44.635 8.499 52.486 1.00 13.77 C ATOM 1863 CG HIS A 250 45.726 8.409 51.470 1.00 12.18 C ATOM 1864 ND1 HIS A 250 47.063 8.482 51.801 1.00 11.26 N ATOM 1865 CD2 HIS A 250 45.678 8.228 50.132 1.00 12.59 C ATOM 1866 CE1 HIS A 250 47.790 8.363 50.706 1.00 11.08 C ATOM 1867 NE2 HIS A 250 46.973 8.203 49.682 1.00 12.03 N ATOM 1868 H HIS A 250 43.902 5.688 52.525 1.00 0.00 H ATOM 1869 N SER A 251 42.970 6.555 55.041 1.00 15.49 N ATOM 1870 CA SER A 251 41.991 6.661 56.105 1.00 15.16 C ATOM 1871 C SER A 251 42.110 5.426 56.971 1.00 13.82 C ATOM 1872 O SER A 251 42.682 4.414 56.559 1.00 13.35 O ATOM 1873 CB SER A 251 40.568 6.775 55.559 1.00 15.84 C ATOM 1874 OG SER A 251 40.432 7.943 54.771 1.00 17.76 O ATOM 1875 HG SER A 251 39.506 8.001 54.426 1.00 0.00 H ATOM 1876 H SER A 251 43.169 5.623 54.624 1.00 0.00 H ATOM 1877 N ALA A 252 41.563 5.524 58.181 1.00 13.96 N ATOM 1878 CA ALA A 252 41.512 4.380 59.065 1.00 13.86 C ATOM 1879 C ALA A 252 40.669 3.276 58.431 1.00 11.99 C ATOM 1880 O ALA A 252 39.834 3.540 57.560 1.00 12.52 O ATOM 1881 CB ALA A 252 40.902 4.789 60.403 1.00 15.29 C ATOM 1882 H ALA A 252 41.168 6.434 58.494 1.00 0.00 H ATOM 1883 N PRO A 253 40.880 2.030 58.848 1.00 11.67 N ATOM 1884 CA PRO A 253 40.066 0.929 58.322 1.00 11.70 C ATOM 1885 C PRO A 253 38.580 1.213 58.486 1.00 11.66 C ATOM 1886 O PRO A 253 38.143 1.823 59.463 1.00 12.61 O ATOM 1887 CB PRO A 253 40.514 -0.270 59.163 1.00 12.35 C ATOM 1888 CG PRO A 253 41.917 0.061 59.530 1.00 12.66 C ATOM 1889 CD PRO A 253 41.955 1.546 59.730 1.00 12.20 C ATOM 1890 N ASP A 254 37.802 0.768 57.508 1.00 10.56 N ATOM 1891 CA ASP A 254 36.386 1.071 57.449 1.00 10.71 C ATOM 1892 C ASP A 254 35.627 -0.190 57.072 1.00 10.29 C ATOM 1893 O ASP A 254 36.211 -1.232 56.768 1.00 11.39 O ATOM 1894 CB ASP A 254 36.137 2.169 56.409 1.00 12.04 C ATOM 1895 CG ASP A 254 34.840 2.930 56.640 1.00 14.06 C ATOM 1896 OD1 ASP A 254 34.085 2.613 57.585 1.00 14.29 O ATOM 1897 OD2 ASP A 254 34.578 3.859 55.854 1.00 16.14 O ATOM 1898 H ASP A 254 38.222 0.182 56.759 1.00 0.00 H ATOM 1899 N SER A 255 34.304 -0.083 57.094 1.00 10.40 N ATOM 1900 CA SER A 255 33.442 -1.147 56.611 1.00 10.36 C ATOM 1901 C SER A 255 33.416 -1.152 55.084 1.00 9.46 C ATOM 1902 O SER A 255 34.035 -0.317 54.413 1.00 9.38 O ATOM 1903 CB SER A 255 32.024 -0.940 57.125 1.00 11.13 C ATOM 1904 OG SER A 255 31.375 0.045 56.338 1.00 11.90 O ATOM 1905 HG SER A 255 31.876 0.897 56.398 1.00 0.00 H ATOM 1906 H SER A 255 33.873 0.787 57.467 1.00 0.00 H ATOM 1907 N ARG A 256 32.660 -2.097 54.519 1.00 9.39 N ATOM 1908 CA ARG A 256 32.543 -2.181 53.070 1.00 9.52 C ATOM 1909 C ARG A 256 31.826 -0.985 52.466 1.00 9.11 C ATOM 1910 O ARG A 256 31.840 -0.833 51.239 1.00 9.00 O ATOM 1911 CB ARG A 256 31.848 -3.485 52.671 1.00 9.80 C ATOM 1912 CG ARG A 256 32.669 -4.733 52.984 1.00 10.69 C ATOM 1913 CD ARG A 256 31.932 -6.003 52.594 1.00 11.17 C ATOM 1914 NE ARG A 256 31.861 -6.194 51.147 1.00 10.60 N ATOM 1915 CZ ARG A 256 32.838 -6.719 50.409 1.00 11.02 C ATOM 1916 NH1 ARG A 256 33.985 -7.075 50.974 1.00 11.26 N ATOM 1917 NH2 ARG A 256 32.672 -6.878 49.100 1.00 11.90 N ATOM 1918 HE ARG A 256 30.990 -5.901 50.661 1.00 0.00 H ATOM 1919 HH12 ARG A 256 34.745 -7.484 50.394 1.00 0.00 H ATOM 1920 HH11 ARG A 256 34.124 -6.944 51.996 1.00 0.00 H ATOM 1921 HH22 ARG A 256 33.435 -7.288 48.525 1.00 0.00 H ATOM 1922 HH21 ARG A 256 31.779 -6.592 48.651 1.00 0.00 H ATOM 1923 H ARG A 256 32.151 -2.778 55.118 1.00 0.00 H ATOM 1924 N ALA A 257 31.216 -0.125 53.286 1.00 9.05 N ATOM 1925 CA ALA A 257 30.688 1.128 52.763 1.00 9.01 C ATOM 1926 C ALA A 257 31.777 1.983 52.123 1.00 8.82 C ATOM 1927 O ALA A 257 31.469 2.830 51.280 1.00 9.34 O ATOM 1928 CB ALA A 257 29.943 1.913 53.849 1.00 9.91 C ATOM 1929 H ALA A 257 31.118 -0.350 54.297 1.00 0.00 H ATOM 1930 N ALA A 258 33.044 1.781 52.492 1.00 8.87 N ATOM 1931 CA ALA A 258 34.123 2.452 51.773 1.00 9.20 C ATOM 1932 C ALA A 258 34.106 2.084 50.292 1.00 8.97 C ATOM 1933 O ALA A 258 34.333 2.943 49.428 1.00 8.59 O ATOM 1934 CB ALA A 258 35.471 2.095 52.393 1.00 9.69 C ATOM 1935 H ALA A 258 33.261 1.148 53.288 1.00 0.00 H ATOM 1936 N ILE A 259 33.827 0.814 49.978 1.00 8.61 N ATOM 1937 CA ILE A 259 33.830 0.369 48.586 1.00 8.39 C ATOM 1938 C ILE A 259 32.648 0.959 47.834 1.00 8.50 C ATOM 1939 O ILE A 259 32.797 1.510 46.737 1.00 8.57 O ATOM 1940 CB ILE A 259 33.831 -1.167 48.500 1.00 9.32 C ATOM 1941 CG1 ILE A 259 35.021 -1.760 49.259 1.00 10.35 C ATOM 1942 CG2 ILE A 259 33.877 -1.605 47.047 1.00 10.10 C ATOM 1943 CD1 ILE A 259 34.900 -3.255 49.472 1.00 11.01 C ATOM 1944 H ILE A 259 33.605 0.135 50.734 1.00 0.00 H ATOM 1945 N THR A 260 31.443 0.821 48.396 1.00 8.92 N ATOM 1946 CA THR A 260 30.262 1.340 47.715 1.00 9.32 C ATOM 1947 C THR A 260 30.349 2.849 47.548 1.00 8.77 C ATOM 1948 O THR A 260 30.000 3.385 46.489 1.00 9.46 O ATOM 1949 CB THR A 260 28.980 0.953 48.462 1.00 9.33 C ATOM 1950 OG1 THR A 260 29.105 1.276 49.851 1.00 9.91 O ATOM 1951 CG2 THR A 260 28.669 -0.535 48.313 1.00 10.42 C ATOM 1952 HG1 THR A 260 29.259 2.249 49.950 1.00 0.00 H ATOM 1953 H THR A 260 31.348 0.345 49.316 1.00 0.00 H ATOM 1954 N HIS A 261 30.829 3.555 48.578 1.00 9.33 N ATOM 1955 CA HIS A 261 30.919 5.007 48.490 1.00 9.75 C ATOM 1956 C HIS A 261 31.968 5.435 47.474 1.00 9.79 C ATOM 1957 O HIS A 261 31.744 6.376 46.706 1.00 10.63 O ATOM 1958 CB HIS A 261 31.208 5.594 49.869 1.00 11.01 C ATOM 1959 CG HIS A 261 31.411 7.078 49.869 1.00 12.00 C ATOM 1960 ND1 HIS A 261 30.413 7.972 49.536 1.00 13.72 N ATOM 1961 CD2 HIS A 261 32.499 7.826 50.170 1.00 12.57 C ATOM 1962 CE1 HIS A 261 30.880 9.204 49.635 1.00 13.84 C ATOM 1963 NE2 HIS A 261 32.142 9.143 50.016 1.00 13.67 N ATOM 1964 H HIS A 261 31.138 3.067 49.443 1.00 0.00 H ATOM 1965 N THR A 262 33.122 4.757 47.458 1.00 9.05 N ATOM 1966 CA THR A 262 34.146 5.076 46.467 1.00 9.65 C ATOM 1967 C THR A 262 33.612 4.872 45.055 1.00 9.32 C ATOM 1968 O THR A 262 33.786 5.728 44.177 1.00 9.58 O ATOM 1969 CB THR A 262 35.396 4.217 46.688 1.00 9.52 C ATOM 1970 OG1 THR A 262 36.022 4.562 47.930 1.00 9.52 O ATOM 1971 CG2 THR A 262 36.398 4.451 45.573 1.00 9.93 C ATOM 1972 HG1 THR A 262 35.386 4.407 48.673 1.00 0.00 H ATOM 1973 H THR A 262 33.290 4.001 48.153 1.00 0.00 H ATOM 1974 N ALA A 263 32.960 3.734 44.817 1.00 9.21 N ATOM 1975 CA ALA A 263 32.427 3.457 43.487 1.00 9.47 C ATOM 1976 C ALA A 263 31.360 4.472 43.100 1.00 9.76 C ATOM 1977 O ALA A 263 31.302 4.917 41.947 1.00 10.03 O ATOM 1978 CB ALA A 263 31.864 2.036 43.432 1.00 10.08 C ATOM 1979 H ALA A 263 32.831 3.041 45.582 1.00 0.00 H ATOM 1980 N ARG A 264 30.507 4.854 44.056 1.00 10.27 N ATOM 1981 CA ARG A 264 29.443 5.806 43.755 1.00 10.48 C ATOM 1982 C ARG A 264 30.015 7.174 43.403 1.00 11.20 C ATOM 1983 O ARG A 264 29.511 7.846 42.496 1.00 12.81 O ATOM 1984 CB ARG A 264 28.460 5.887 44.923 1.00 10.90 C ATOM 1985 CG ARG A 264 27.149 6.558 44.566 1.00 11.03 C ATOM 1986 CD ARG A 264 26.335 5.704 43.602 1.00 11.96 C ATOM 1987 NE ARG A 264 25.058 6.322 43.264 1.00 12.40 N ATOM 1988 CZ ARG A 264 24.616 6.514 42.025 1.00 13.99 C ATOM 1989 NH1 ARG A 264 25.353 6.137 40.985 1.00 15.00 N ATOM 1990 NH2 ARG A 264 23.431 7.083 41.825 1.00 14.68 N ATOM 1991 HE ARG A 264 24.450 6.635 44.048 1.00 0.00 H ATOM 1992 HH12 ARG A 264 25.003 6.289 40.017 1.00 0.00 H ATOM 1993 HH11 ARG A 264 26.279 5.690 41.139 1.00 0.00 H ATOM 1994 HH22 ARG A 264 23.084 7.234 40.856 1.00 0.00 H ATOM 1995 HH21 ARG A 264 22.852 7.377 42.637 1.00 0.00 H ATOM 1996 H ARG A 264 30.602 4.471 45.018 1.00 0.00 H ATOM 1997 N MET A 265 31.075 7.601 44.100 1.00 11.60 N ATOM 1998 CA MET A 265 31.745 8.844 43.723 1.00 12.25 C ATOM 1999 C MET A 265 32.367 8.719 42.342 1.00 12.28 C ATOM 2000 O MET A 265 32.322 9.660 41.541 1.00 13.49 O ATOM 2001 CB MET A 265 32.819 9.210 44.748 1.00 14.63 C ATOM 2002 CG MET A 265 32.278 9.813 46.029 1.00 16.58 C ATOM 2003 SD MET A 265 33.555 10.662 46.980 1.00 19.59 S ATOM 2004 CE MET A 265 34.591 9.278 47.443 1.00 19.67 C ATOM 2005 H MET A 265 31.422 7.048 44.910 1.00 0.00 H ATOM 2006 N ALA A 266 32.953 7.558 42.046 1.00 12.49 N ATOM 2007 CA ALA A 266 33.593 7.353 40.753 1.00 12.61 C ATOM 2008 C ALA A 266 32.573 7.283 39.624 1.00 12.96 C ATOM 2009 O ALA A 266 32.912 7.580 38.472 1.00 14.09 O ATOM 2010 CB ALA A 266 34.461 6.095 40.787 1.00 12.48 C ATOM 2011 H ALA A 266 32.953 6.789 42.747 1.00 0.00 H ATOM 2012 N ASP A 267 31.330 6.889 39.922 1.00 13.87 N ATOM 2013 CA ASP A 267 30.283 6.949 38.906 1.00 15.94 C ATOM 2014 C ASP A 267 30.195 8.352 38.318 1.00 20.32 C ATOM 2015 O ASP A 267 29.973 8.515 37.116 1.00 20.45 O ATOM 2016 CB ASP A 267 28.923 6.555 39.498 1.00 14.87 C ATOM 2017 CG ASP A 267 28.777 5.059 39.745 1.00 13.81 C ATOM 2018 OD1 ASP A 267 29.479 4.250 39.100 1.00 14.04 O ATOM 2019 OD2 ASP A 267 27.927 4.696 40.592 1.00 12.65 O ATOM 2020 H ASP A 267 31.109 6.540 40.877 1.00 0.00 H ATOM 2021 N LYS A 268 30.400 9.378 39.155 1.00 24.62 N ATOM 2022 CA LYS A 268 30.271 10.766 38.720 1.00 29.25 C ATOM 2023 C LYS A 268 31.385 11.194 37.774 1.00 30.78 C ATOM 2024 O LYS A 268 31.224 12.190 37.062 1.00 31.26 O ATOM 2025 CB LYS A 268 30.257 11.707 39.929 1.00 32.10 C ATOM 2026 CG LYS A 268 29.249 11.354 41.012 1.00 34.53 C ATOM 2027 CD LYS A 268 29.329 12.347 42.166 1.00 36.47 C ATOM 2028 CE LYS A 268 28.746 11.777 43.451 1.00 37.85 C ATOM 2029 NZ LYS A 268 29.196 12.544 44.652 1.00 38.54 N ATOM 2030 HZ1 LYS A 268 30.233 12.505 44.718 1.00 0.00 H ATOM 2031 HZ2 LYS A 268 28.890 13.534 44.564 1.00 0.00 H ATOM 2032 HZ3 LYS A 268 28.777 12.125 45.507 1.00 0.00 H ATOM 2033 H LYS A 268 30.658 9.180 40.143 1.00 0.00 H ATOM 2034 N LEU A 269 32.512 10.480 37.760 1.00 32.18 N ATOM 2035 CA LEU A 269 33.607 10.823 36.860 1.00 33.86 C ATOM 2036 C LEU A 269 33.320 10.443 35.416 1.00 36.04 C ATOM 2037 O LEU A 269 34.055 10.877 34.521 1.00 35.95 O ATOM 2038 CB LEU A 269 34.893 10.121 37.296 1.00 33.30 C ATOM 2039 CG LEU A 269 35.641 10.614 38.535 1.00 33.43 C ATOM 2040 CD1 LEU A 269 36.787 9.668 38.849 1.00 33.62 C ATOM 2041 CD2 LEU A 269 36.154 12.033 38.331 1.00 33.70 C ATOM 2042 H LEU A 269 32.611 9.667 38.401 1.00 0.00 H ATOM 2043 N ARG A 270 32.288 9.645 35.170 1.00 38.25 N ATOM 2044 CA ARG A 270 31.993 9.160 33.830 1.00 40.59 C ATOM 2045 C ARG A 270 30.994 10.068 33.127 1.00 41.88 C ATOM 2046 O ARG A 270 30.502 11.035 33.710 1.00 42.13 O ATOM 2047 CB ARG A 270 31.454 7.733 33.901 1.00 41.66 C ATOM 2048 CG ARG A 270 32.203 6.850 34.886 1.00 42.69 C ATOM 2049 CD ARG A 270 31.731 5.413 34.809 1.00 43.92 C ATOM 2050 NE ARG A 270 31.770 4.908 33.440 1.00 45.14 N ATOM 2051 CZ ARG A 270 30.746 4.318 32.834 1.00 46.04 C ATOM 2052 NH1 ARG A 270 29.597 4.155 33.477 1.00 46.44 N ATOM 2053 NH2 ARG A 270 30.871 3.889 31.585 1.00 46.29 N ATOM 2054 OXT ARG A 270 30.660 9.859 31.961 1.00 42.57 O ATOM 2055 HE ARG A 270 32.655 5.017 32.905 1.00 0.00 H ATOM 2056 HH12 ARG A 270 28.796 3.693 33.001 1.00 0.00 H ATOM 2057 HH11 ARG A 270 29.497 4.489 34.457 1.00 0.00 H ATOM 2058 HH22 ARG A 270 30.069 3.427 31.111 1.00 0.00 H ATOM 2059 HH21 ARG A 270 31.771 4.015 31.080 1.00 0.00 H ATOM 2060 H ARG A 270 31.673 9.358 35.958 1.00 0.00 H TER 2061 ARG A 270 HETATM 2062 ZN ZN A 1 49.053 6.781 44.249 1.00 7.32 ZN HETATM 2063 ZN ZN A 2 47.116 7.551 47.923 1.00 10.58 ZN HETATM 2064 O HOH 3 65.965 -1.153 60.148 1.00 14.76 O HETATM 2065 O HOH 4 66.022 -3.236 62.290 1.00 20.31 O HETATM 2066 O HOH 5 46.966 15.463 57.080 1.00 18.50 O HETATM 2067 O HOH 6 46.696 10.867 60.501 1.00 35.71 O HETATM 2068 O HOH 7 60.853 9.061 49.001 1.00 45.82 O HETATM 2069 O HOH 8 47.693 -1.482 68.187 1.00 30.81 O HETATM 2070 O HOH 9 45.148 -16.136 58.181 1.00 46.14 O HETATM 2071 O HOH 10 66.369 -2.844 65.180 1.00 52.48 O HETATM 2072 O HOH 11 37.201 10.847 55.508 1.00 40.62 O HETATM 2073 O HOH 12 67.527 -1.085 45.192 1.00 17.20 O HETATM 2074 O HOH 13 67.543 4.943 54.766 1.00 32.21 O HETATM 2075 O HOH 14 51.137 -20.107 55.953 1.00 45.72 O HETATM 2076 O HOH 15 33.613 -10.228 59.463 1.00 35.79 O HETATM 2077 O HOH 16 31.322 2.320 57.568 1.00 27.02 O HETATM 2078 O HOH 17 34.593 -12.554 56.934 1.00 40.50 O HETATM 2079 O HOH 18 60.596 -14.659 43.633 1.00 14.37 O HETATM 2080 O HOH 19 48.784 -15.326 58.517 1.00 28.68 O HETATM 2081 O HOH 20 56.832 4.612 30.087 1.00 61.46 O HETATM 2082 O HOH 21 40.451 7.742 52.168 1.00 20.36 O HETATM 2083 O HOH 22 59.034 10.767 59.032 1.00 22.51 O HETATM 2084 O HOH 23 61.431 -17.993 61.477 1.00 33.42 O HETATM 2085 O HOH 24 67.183 -9.512 63.658 1.00 30.07 O HETATM 2086 O HOH 25 56.356 2.895 70.677 1.00 32.62 O HETATM 2087 O HOH 26 64.062 -12.854 45.908 1.00 38.04 O HETATM 2088 O HOH 27 53.101 10.797 38.210 1.00 13.06 O HETATM 2089 O HOH 28 45.219 10.241 34.265 1.00 39.59 O HETATM 2090 O HOH 29 49.304 9.878 33.864 1.00 48.96 O HETATM 2091 O HOH 30 29.300 3.579 36.533 1.00 23.06 O HETATM 2092 O HOH 31 49.234 -16.767 48.604 1.00 21.94 O HETATM 2093 O HOH 32 56.058 22.882 53.368 1.00 48.60 O HETATM 2094 O HOH 33 42.947 1.765 56.513 1.00 9.90 O HETATM 2095 O HOH 34 63.836 -7.992 69.113 1.00 26.83 O HETATM 2096 O HOH 35 65.860 5.311 47.325 1.00 13.28 O HETATM 2097 O HOH 36 66.651 -7.755 48.570 1.00 36.90 O HETATM 2098 O HOH 37 64.299 -11.654 54.049 1.00 12.91 O HETATM 2099 O HOH 38 42.343 8.001 43.639 1.00 16.39 O HETATM 2100 O HOH 39 48.358 5.256 35.798 1.00 13.99 O HETATM 2101 O HOH 40 56.993 2.753 30.951 1.00 32.62 O HETATM 2102 O HOH 41 60.169 -17.416 46.917 1.00 25.87 O HETATM 2103 O HOH 42 52.242 3.438 52.813 1.00 7.77 O HETATM 2104 O HOH 43 61.959 -0.652 35.309 1.00 17.20 O HETATM 2105 O HOH 44 58.757 -15.168 47.766 1.00 11.25 O HETATM 2106 O HOH 45 61.766 3.974 45.424 1.00 9.28 O HETATM 2107 O HOH 46 48.491 2.638 61.675 1.00 10.02 O HETATM 2108 O HOH 47 65.300 -2.760 41.387 1.00 21.96 O HETATM 2109 O HOH 48 38.488 11.049 53.688 1.00 45.27 O HETATM 2110 O HOH 49 37.614 -4.226 36.317 1.00 22.34 O HETATM 2111 O HOH 50 27.899 3.516 50.764 1.00 17.35 O HETATM 2112 O HOH 51 71.325 -5.972 55.424 1.00 25.82 O HETATM 2113 O HOH 52 40.013 14.657 43.427 1.00 28.05 O HETATM 2114 O HOH 53 38.999 2.074 62.022 1.00 27.57 O HETATM 2115 O HOH 54 45.435 21.052 53.258 1.00 38.91 O HETATM 2116 O HOH 55 45.926 -16.286 42.017 1.00 27.06 O HETATM 2117 O HOH 56 53.621 19.656 56.723 1.00 26.01 O HETATM 2118 O HOH 57 42.613 12.581 35.916 1.00 32.40 O HETATM 2119 O HOH 58 33.843 1.542 30.699 1.00 47.25 O HETATM 2120 O HOH 59 58.433 5.668 29.927 1.00 35.15 O HETATM 2121 O HOH 60 60.891 -8.126 36.928 1.00 33.08 O HETATM 2122 O HOH 61 50.900 -6.271 34.498 1.00 21.79 O HETATM 2123 O HOH 62 37.904 5.441 57.842 1.00 19.75 O HETATM 2124 O HOH 63 31.872 -11.853 44.698 1.00 28.73 O HETATM 2125 O HOH 64 26.078 2.927 39.653 1.00 19.74 O HETATM 2126 O HOH 65 27.946 7.452 48.495 1.00 22.21 O HETATM 2127 O HOH 66 62.240 6.726 45.192 1.00 12.61 O HETATM 2128 O HOH 67 51.063 -1.780 67.741 1.00 41.75 O HETATM 2129 O HOH 68 52.209 -3.142 42.090 1.00 6.06 O HETATM 2130 O HOH 69 62.063 10.331 56.062 1.00 12.84 O HETATM 2131 O HOH 70 31.287 -4.951 44.186 1.00 28.91 O HETATM 2132 O HOH 71 53.196 3.859 55.550 1.00 7.33 O HETATM 2133 O HOH 72 44.238 2.632 32.106 1.00 30.24 O HETATM 2134 O HOH 73 62.065 -5.398 38.231 1.00 28.23 O HETATM 2135 O HOH 74 35.923 10.029 32.711 1.00 33.81 O HETATM 2136 O HOH 75 48.024 -16.215 65.843 1.00 24.20 O HETATM 2137 O HOH 76 57.653 -12.545 40.345 1.00 12.46 O HETATM 2138 O HOH 77 48.807 5.881 71.819 1.00 28.81 O HETATM 2139 O HOH 78 44.357 -8.465 34.482 1.00 24.59 O HETATM 2140 O HOH 79 59.659 4.299 33.713 1.00 11.06 O HETATM 2141 O HOH 80 56.296 9.173 59.198 1.00 10.95 O HETATM 2142 O HOH 81 47.561 1.184 46.036 1.00 8.69 O HETATM 2143 O HOH 82 45.799 12.484 49.713 1.00 49.70 O HETATM 2144 O HOH 83 62.538 -8.754 62.379 1.00 11.16 O HETATM 2145 O HOH 84 54.232 -14.434 34.117 1.00 22.37 O HETATM 2146 O HOH 85 33.202 -4.203 38.242 1.00 14.06 O HETATM 2147 O HOH 86 34.486 5.641 36.970 1.00 15.68 O HETATM 2148 O HOH 87 45.573 5.807 34.249 1.00 30.12 O HETATM 2149 O HOH 88 55.227 -8.077 70.814 1.00 21.48 O HETATM 2150 O HOH 89 58.477 19.441 52.090 1.00 35.64 O HETATM 2151 O HOH 90 58.271 12.320 65.607 1.00 16.59 O HETATM 2152 O HOH 91 56.351 10.379 41.644 1.00 10.76 O HETATM 2153 O HOH 92 54.794 9.610 43.870 1.00 11.22 O HETATM 2154 O HOH 93 37.647 -7.582 62.776 1.00 37.89 O HETATM 2155 O HOH 94 63.469 -12.071 51.480 1.00 13.20 O HETATM 2156 O HOH 95 69.169 4.806 48.509 1.00 19.26 O HETATM 2157 O HOH 96 67.784 7.187 50.888 1.00 42.93 O HETATM 2158 O HOH 97 56.749 13.917 47.240 1.00 29.40 O HETATM 2159 O HOH 98 44.546 -1.827 67.830 1.00 38.41 O HETATM 2160 O HOH 99 45.415 -0.190 45.029 1.00 8.97 O HETATM 2161 O HOH 100 68.117 -12.014 52.541 1.00 26.88 O HETATM 2162 O HOH 101 63.040 -6.469 60.903 1.00 10.26 O HETATM 2163 O HOH 102 61.634 -12.436 39.164 1.00 24.24 O HETATM 2164 O HOH 103 31.925 -4.190 56.397 1.00 14.15 O HETATM 2165 O HOH 104 29.950 -9.284 51.068 1.00 32.35 O HETATM 2166 O HOH 105 29.673 -5.555 49.514 1.00 27.54 O HETATM 2167 O HOH 106 28.859 -1.066 55.789 1.00 15.93 O HETATM 2168 O HOH 107 64.755 3.460 39.199 1.00 13.72 O HETATM 2169 O HOH 108 58.212 13.154 56.545 1.00 14.88 O HETATM 2170 O HOH 109 27.028 8.954 41.786 1.00 33.72 O HETATM 2171 O HOH 110 61.477 -5.585 72.024 1.00 34.89 O HETATM 2172 O HOH 111 65.616 5.088 59.720 1.00 18.18 O HETATM 2173 O HOH 112 37.175 -10.923 37.026 1.00 44.57 O HETATM 2174 O HOH 113 65.017 -7.297 38.963 1.00 41.98 O HETATM 2175 O HOH 114 65.967 -9.898 55.468 1.00 12.66 O HETATM 2176 O HOH 115 63.701 7.855 50.540 1.00 21.13 O HETATM 2177 O HOH 116 36.764 -14.423 45.539 1.00 45.07 O HETATM 2178 O HOH 117 66.392 -0.975 55.783 1.00 11.10 O HETATM 2179 O HOH 118 28.192 2.002 44.818 1.00 12.07 O HETATM 2180 O HOH 119 54.388 8.857 65.655 1.00 13.30 O HETATM 2181 O HOH 120 37.660 13.559 52.227 1.00 39.38 O HETATM 2182 O HOH 121 44.289 -14.838 31.405 1.00 28.70 O HETATM 2183 O HOH 122 55.647 6.533 71.744 1.00 28.21 O HETATM 2184 O HOH 123 40.466 -4.634 64.563 1.00 47.74 O HETATM 2185 O HOH 124 46.588 9.151 40.461 1.00 10.42 O HETATM 2186 O HOH 125 33.771 2.329 35.522 1.00 13.45 O HETATM 2187 O HOH 126 46.222 -14.845 58.367 1.00 31.86 O HETATM 2188 O HOH 127 36.118 -9.108 40.826 1.00 20.63 O HETATM 2189 O HOH 128 67.892 -7.140 57.450 1.00 13.43 O HETATM 2190 O HOH 129 55.808 -19.693 58.636 1.00 13.45 O HETATM 2191 O HOH 130 23.484 7.179 45.488 1.00 28.86 O HETATM 2192 O HOH 131 57.829 -12.207 36.563 1.00 21.59 O HETATM 2193 O HOH 132 36.804 -12.701 50.512 1.00 24.55 O HETATM 2194 O HOH 133 49.813 -8.865 33.918 1.00 18.03 O HETATM 2195 O HOH 134 52.890 -19.508 50.360 1.00 19.26 O HETATM 2196 O HOH 135 37.770 -1.687 35.273 1.00 24.73 O HETATM 2197 O HOH 136 58.160 16.829 51.263 1.00 24.13 O HETATM 2198 O HOH 137 48.361 -14.025 45.867 1.00 23.82 O HETATM 2199 O HOH 138 60.829 -20.989 47.933 1.00 42.28 O HETATM 2200 O HOH 139 50.411 -16.283 45.398 1.00 29.17 O HETATM 2201 O HOH 140 59.958 -10.973 37.720 1.00 14.44 O HETATM 2202 O HOH 141 40.000 5.280 30.143 1.00 53.37 O HETATM 2203 O HOH 142 40.214 11.688 32.454 1.00 43.40 O HETATM 2204 O HOH 143 30.450 -0.225 37.791 1.00 15.21 O HETATM 2205 O HOH 144 40.272 -8.487 62.874 1.00 31.11 O HETATM 2206 O HOH 145 30.950 12.496 52.469 1.00 38.08 O HETATM 2207 O HOH 146 43.055 9.777 48.712 1.00 48.49 O HETATM 2208 O HOH 147 31.180 12.513 49.448 1.00 30.72 O HETATM 2209 O HOH 148 28.946 -0.639 44.564 1.00 18.64 O HETATM 2210 O HOH 149 64.969 8.443 53.517 1.00 13.47 O HETATM 2211 O HOH 150 48.771 -10.852 68.658 1.00 48.67 O HETATM 2212 O HOH 151 48.383 -3.428 35.370 1.00 21.81 O HETATM 2213 O HOH 152 48.813 8.292 69.215 1.00 47.41 O HETATM 2214 O HOH 153 47.743 16.764 46.372 1.00 47.48 O HETATM 2215 O HOH 154 40.473 8.119 58.899 1.00 27.03 O HETATM 2216 O HOH 155 40.929 0.214 63.076 1.00 28.17 O HETATM 2217 O HOH 156 37.279 13.292 43.318 1.00 38.22 O HETATM 2218 O HOH 157 51.134 -18.906 37.408 1.00 17.92 O HETATM 2219 O HOH 158 38.768 -13.960 48.057 1.00 50.74 O HETATM 2220 O HOH 159 43.185 5.853 49.106 1.00 35.73 O HETATM 2221 O HOH 160 31.143 7.195 30.310 1.00 52.38 O HETATM 2222 O HOH 161 63.706 3.634 47.383 1.00 7.88 O HETATM 2223 O HOH 162 64.272 -14.129 65.085 1.00 45.16 O HETATM 2224 O HOH 163 46.557 4.199 63.012 1.00 23.75 O HETATM 2225 O HOH 164 49.798 11.787 40.197 1.00 17.50 O HETATM 2226 O HOH 165 52.565 -19.994 54.139 1.00 29.80 O HETATM 2227 O HOH 166 44.298 4.297 61.274 1.00 25.28 O HETATM 2228 O HOH 167 42.382 6.001 51.185 1.00 19.28 O HETATM 2229 O HOH 168 64.213 -9.548 57.704 1.00 11.19 O HETATM 2230 O HOH 169 43.747 15.228 41.157 1.00 22.99 O HETATM 2231 O HOH 170 47.015 17.256 54.321 1.00 20.53 O HETATM 2232 O HOH 171 41.402 -15.057 33.472 1.00 22.52 O HETATM 2233 O HOH 172 46.357 12.175 55.405 1.00 25.87 O HETATM 2234 O HOH 173 58.741 6.651 69.846 1.00 32.55 O HETATM 2235 O HOH 174 22.505 7.368 39.041 1.00 30.68 O HETATM 2236 O HOH 175 60.917 7.858 62.882 1.00 23.40 O HETATM 2237 O HOH 176 64.682 0.692 39.235 1.00 10.96 O HETATM 2238 O HOH 177 40.867 10.033 56.810 1.00 44.04 O HETATM 2239 O HOH 178 40.271 -10.836 61.099 1.00 23.12 O HETATM 2240 O HOH 179 45.626 6.508 58.614 1.00 31.53 O HETATM 2241 O HOH 180 51.203 -4.631 68.635 1.00 39.05 O HETATM 2242 O HOH 181 44.332 -2.908 32.362 1.00 40.27 O HETATM 2243 O HOH 182 60.581 12.674 50.104 1.00 26.77 O HETATM 2244 O HOH 183 42.124 -1.974 64.914 1.00 43.76 O HETATM 2245 O HOH 184 59.597 -17.616 53.708 1.00 24.11 O HETATM 2246 O HOH 185 35.505 -0.031 28.923 1.00 50.09 O HETATM 2247 O HOH 186 58.395 -4.702 34.122 1.00 26.81 O HETATM 2248 O HOH 187 57.812 15.573 55.460 1.00 16.74 O HETATM 2249 O HOH 188 54.987 -2.403 73.010 1.00 41.28 O HETATM 2250 O HOH 189 26.363 13.481 44.976 1.00 20.72 O HETATM 2251 O HOH 190 29.345 12.032 47.607 1.00 35.01 O HETATM 2252 O HOH 191 51.868 -18.341 47.582 1.00 22.46 O HETATM 2253 O HOH 192 36.446 4.297 59.828 1.00 39.88 O HETATM 2254 O HOH 193 36.901 -13.946 42.006 1.00 39.37 O HETATM 2255 O HOH 194 54.807 -4.188 32.057 1.00 41.87 O HETATM 2256 O HOH 195 39.541 7.569 31.520 1.00 37.72 O HETATM 2257 O HOH 196 29.405 4.406 56.765 1.00 53.77 O HETATM 2258 O HOH 197 39.729 -11.370 53.696 1.00 28.90 O HETATM 2259 O HOH 198 28.812 5.750 52.378 1.00 37.67 O HETATM 2260 O HOH 199 27.143 7.788 36.235 1.00 49.00 O HETATM 2261 O HOH 200 35.031 -5.959 60.623 1.00 37.07 O HETATM 2262 O HOH 201 59.618 13.461 48.145 1.00 30.55 O HETATM 2263 O HOH 202 41.496 -12.872 50.939 1.00 33.34 O HETATM 2264 O HOH 203 60.060 -15.099 50.224 1.00 22.45 O HETATM 2265 O HOH 204 64.380 -10.208 63.720 1.00 33.37 O HETATM 2266 O HOH 205 54.924 11.584 45.914 1.00 29.84 O HETATM 2267 O HOH 206 41.450 8.901 32.585 1.00 30.17 O HETATM 2268 O HOH 207 47.377 16.787 49.417 1.00 50.62 O HETATM 2269 O HOH 208 51.697 -18.920 44.981 1.00 32.23 O HETATM 2270 O HOH 209 56.264 16.135 48.438 1.00 26.54 O HETATM 2271 O HOH 210 66.484 -12.245 69.071 1.00 51.68 O HETATM 2272 O HOH 211 45.390 -18.490 45.595 1.00 46.48 O HETATM 2273 O HOH 212 45.890 -19.095 52.138 1.00 43.20 O HETATM 2274 O HOH 213 64.359 10.874 54.952 1.00 30.76 O HETATM 2275 O HOH 214 44.636 5.358 69.711 1.00 50.11 O HETATM 2276 O HOH 215 60.143 2.030 31.065 1.00 41.79 O HETATM 2277 O HOH 216 64.607 -12.013 62.345 1.00 36.58 O HETATM 2278 O HOH 217 37.417 -12.233 39.154 1.00 51.81 O HETATM 2279 O HOH 218 44.730 -15.794 60.586 1.00 47.65 O HETATM 2280 O HOH 219 42.596 11.396 53.147 1.00 42.26 O HETATM 2281 O HOH 220 59.741 -17.222 51.532 1.00 43.63 O HETATM 2282 O HOH 221 44.068 6.747 32.187 1.00 43.72 O HETATM 2283 O HOH 222 34.902 -2.721 59.874 1.00 41.55 O HETATM 2284 O HOH 223 45.962 15.592 45.810 1.00 42.89 O HETATM 2285 O HOH 224 59.793 -19.820 51.503 1.00 44.42 O HETATM 2286 O HOH 225 58.169 -3.949 31.214 1.00 42.13 O HETATM 2287 O HOH 226 68.746 -9.964 45.709 1.00 47.41 O HETATM 2288 O HOH 227 67.716 8.175 52.897 1.00 42.77 O HETATM 2289 O HOH 228 37.252 -14.060 58.681 1.00 43.43 O HETATM 2290 O HOH 229 47.166 -8.147 33.005 1.00 38.32 O HETATM 2291 O HOH 230 69.646 -5.949 62.355 1.00 49.84 O HETATM 2292 O HOH 231 39.207 -15.083 54.030 1.00 49.31 O HETATM 2293 O HOH 232 48.143 15.642 39.731 1.00 31.29 O HETATM 2294 O HOH 233 61.932 0.668 32.834 1.00 34.45 O HETATM 2295 O HOH 234 60.635 -5.071 35.524 1.00 39.27 O HETATM 2296 O HOH 235 42.488 4.700 67.954 1.00 50.22 O HETATM 2297 O HOH 236 67.801 4.587 58.417 1.00 38.39 O HETATM 2298 O HOH 237 32.507 -6.250 39.922 1.00 19.30 O HETATM 2299 O HOH 238 63.246 7.187 33.675 1.00 37.40 O HETATM 2300 O HOH 239 26.281 9.080 39.149 1.00 33.31 O HETATM 2301 O HOH 240 42.197 -12.774 62.021 1.00 32.35 O HETATM 2302 O HOH 241 43.573 -7.950 67.214 1.00 37.66 O HETATM 2303 O HOH 242 67.747 -10.048 48.421 1.00 52.26 O HETATM 2304 O HOH 243 53.756 11.369 40.924 1.00 15.62 O HETATM 2305 O HOH 244 41.638 13.880 49.660 1.00 51.09 O HETATM 2306 O HOH 245 34.219 0.717 33.281 1.00 21.36 O HETATM 2307 O HOH 246 36.639 -1.360 60.547 1.00 39.25 O HETATM 2308 O HOH 247 61.003 8.728 46.640 1.00 19.14 O HETATM 2309 O HOH 248 61.802 7.722 60.060 1.00 34.12 O HETATM 2310 O HOH 249 64.749 7.526 60.959 1.00 44.99 O HETATM 2311 O HOH 250 25.883 0.280 40.104 1.00 15.96 O HETATM 2312 O HOH 251 45.679 -12.646 29.861 1.00 49.65 O HETATM 2313 O HOH 252 59.493 -14.424 41.036 1.00 38.70 O HETATM 2314 O HOH 253 36.269 8.738 29.116 1.00 45.19 O HETATM 2315 O HOH 254 31.134 1.629 35.811 1.00 17.95 O HETATM 2316 O HOH 255 27.454 -0.758 37.866 1.00 33.79 O HETATM 2317 O HOH 256 51.843 6.930 34.203 1.00 43.98 O HETATM 2318 O HOH 257 28.312 9.327 46.440 1.00 30.83 O HETATM 2319 O HOH 258 27.023 2.377 36.848 1.00 46.52 O HETATM 2320 O HOH 259 52.013 -4.861 32.367 1.00 41.88 O HETATM 2321 O HOH 260 68.103 0.803 60.142 1.00 37.43 O HETATM 2322 O HOH 261 61.844 5.046 32.374 1.00 25.80 O HETATM 2323 O HOH 262 36.628 -11.833 41.284 1.00 42.78 O HETATM 2324 O HOH 263 40.576 10.259 51.649 1.00 38.28 O HETATM 2325 O HOH 264 45.832 -0.030 31.638 1.00 53.82 O HETATM 2326 O HOH 265 62.222 9.572 64.299 1.00 40.53 O HETATM 2327 O HOH 266 60.660 12.578 55.224 1.00 15.09 O HETATM 2328 O HOH 267 65.695 -5.721 61.216 1.00 12.75 O HETATM 2329 O HOH 268 46.037 16.947 51.441 1.00 62.90 O HETATM 2330 O HOH 269 30.315 -7.841 45.677 1.00 36.56 O HETATM 2331 O HOH 270 35.044 -5.162 36.272 1.00 24.81 O HETATM 2332 O HOH 271 61.975 -17.372 57.725 1.00 46.96 O HETATM 2333 O HOH 272 58.346 -20.052 58.124 1.00 30.50 O HETATM 2334 O HOH 273 46.351 12.521 58.082 1.00 46.84 O HETATM 2335 O HOH 274 68.145 -11.319 56.186 1.00 43.31 O HETATM 2336 O HOH 275 30.098 -3.912 47.977 1.00 44.88 O HETATM 2337 O HOH 276 61.641 10.149 58.764 1.00 25.11 O HETATM 2338 O HOH 277 65.122 -5.439 69.258 1.00 40.70 O HETATM 2339 O HOH 278 30.344 -6.509 41.220 1.00 43.96 O HETATM 2340 O HOH 279 41.139 -4.796 33.862 1.00 40.55 O HETATM 2341 O HOH 280 39.443 -12.720 51.822 1.00 42.42 O HETATM 2342 O HOH 281 60.595 11.227 66.718 1.00 42.45 O HETATM 2343 O HOH 282 62.256 -3.679 36.060 1.00 45.03 O HETATM 2344 O HOH 283 30.436 0.052 33.726 1.00 50.38 O HETATM 2345 O HOH 284 69.460 -3.467 41.879 1.00 43.07 O HETATM 2346 O HOH 285 25.835 10.041 45.067 1.00 35.90 O HETATM 2347 O HOH 286 31.160 -11.662 42.125 1.00 43.38 O HETATM 2348 O HOH 287 45.498 15.732 36.274 1.00 44.06 O HETATM 2349 O HOH 288 65.067 -13.490 49.545 1.00 44.01 O HETATM 2350 O HOH 289 30.550 -2.648 46.106 1.00 39.15 O HETATM 2351 O HOH 290 55.512 13.910 44.928 1.00 29.85 O HETATM 2352 O HOH 291 62.139 -15.578 55.790 1.00 41.77 O HETATM 2353 O HOH 292 67.605 -1.401 42.232 1.00 19.49 O HETATM 2354 O HOH 293 29.357 -8.609 53.919 1.00 33.52 O HETATM 2355 O HOH 294 54.898 18.018 57.900 1.00 25.68 O HETATM 2356 O HOH 295 64.505 -14.226 55.039 1.00 30.55 O HETATM 2357 O HOH 296 69.214 -3.136 61.662 1.00 53.11 O HETATM 2358 O HOH 297 40.510 -10.133 65.080 1.00 37.64 O HETATM 2359 O HOH 298 58.463 23.627 51.839 1.00 51.33 O HETATM 2360 O HOH 299 63.799 -14.815 46.926 1.00 39.06 O HETATM 2361 O HOH 300 67.561 -7.614 61.808 1.00 28.02 O HETATM 2362 O HOH 301 30.976 -2.831 37.463 1.00 18.74 O HETATM 2363 O HOH 302 44.974 8.616 59.123 1.00 36.33 O HETATM 2364 O HOH 303 35.756 -1.572 33.353 1.00 30.51 O HETATM 2365 O HOH 304 59.564 -14.433 39.169 1.00 36.03 O HETATM 2366 O HOH 305 26.334 2.671 53.097 1.00 22.35 O HETATM 2367 O HOH 306 39.721 14.152 33.384 1.00 37.74 O HETATM 2368 O HOH 307 65.816 -10.788 59.554 1.00 18.45 O HETATM 2369 O HOH 308 70.133 -5.648 57.825 1.00 27.22 O HETATM 2370 O HOH 309 59.688 16.050 53.372 1.00 36.91 O HETATM 2371 O HOH 310 63.786 -6.831 58.235 1.00 10.46 O HETATM 2372 O HOH 311 50.253 14.263 38.847 1.00 24.48 O HETATM 2373 O HOH 312 59.922 21.618 51.148 1.00 43.77 O HETATM 2374 O HOH 313 51.099 -9.911 31.736 1.00 45.13 O HETATM 2375 O HOH 314 28.065 -2.812 57.781 1.00 25.63 O HETATM 2376 O HOH 315 47.432 18.359 48.215 1.00 48.77 O HETATM 2377 O HOH 316 34.012 -8.483 39.172 1.00 24.30 O HETATM 2378 O HOH 317 66.141 -5.302 58.512 1.00 12.08 O HETATM 2379 O HOH 318 45.105 12.665 53.102 1.00 52.71 O HETATM 2380 O HOH 319 39.499 -3.363 33.339 1.00 49.78 O HETATM 2381 O HOH 320 57.370 17.027 57.923 1.00 31.25 O HETATM 2382 O HOH 321 65.648 -14.427 63.110 1.00 46.33 O HETATM 2383 O HOH 322 60.280 -21.002 59.645 1.00 41.62 O HETATM 2384 O HOH 323 50.224 6.922 32.683 1.00 42.57 O HETATM 2385 O HOH 324 48.375 -16.531 44.673 1.00 41.49 O HETATM 2386 O HOH 325 64.350 -0.447 36.745 1.00 15.91 O HETATM 2387 O HOH 326 26.776 0.901 55.335 1.00 15.17 O HETATM 2388 O HOH 327 48.123 -5.305 33.420 1.00 44.08 O HETATM 2389 O HOH 328 66.059 4.913 37.449 1.00 37.18 O HETATM 2390 O HOH 329 45.067 -16.277 44.117 1.00 57.33 O HETATM 2391 O HOH 330 66.849 -2.647 57.990 1.00 11.44 O HETATM 2392 O HOH 331 40.459 14.125 36.091 1.00 37.90 O HETATM 2393 O HOH 332 28.607 -3.589 38.602 1.00 41.79 O HETATM 2394 O HOH 333 62.893 -16.986 46.480 1.00 32.74 O HETATM 2395 O HOH 334 27.265 2.517 57.491 1.00 33.44 O HETATM 2396 O HOH 335 40.757 -13.121 65.047 1.00 41.75 O HETATM 2397 O HOH 336 26.846 11.739 48.949 1.00 35.76 O HETATM 2398 O HOH 337 30.416 -13.548 46.218 1.00 40.17 O HETATM 2399 O HOH 338 67.958 -9.060 59.483 1.00 24.66 O HETATM 2400 O HOH 339 61.189 13.476 52.643 1.00 22.26 O HETATM 2401 O HOH 340 29.099 -13.014 48.498 1.00 39.85 O HETATM 2402 O HOH 341 63.621 3.108 32.440 1.00 38.64 O HETATM 2403 O HOH 342 66.922 -13.144 58.701 1.00 38.71 O HETATM 2404 O HOH 343 44.789 15.010 52.988 1.00 44.67 O HETATM 2405 O HOH 344 32.120 -10.611 39.596 1.00 41.27 O HETATM 2406 O HOH 345 34.259 -3.789 33.702 1.00 39.34 O HETATM 2407 O HOH 346 73.732 -4.553 63.272 1.00 57.15 O HETATM 2408 O HOH 347 65.119 -17.094 58.167 1.00 41.29 O HETATM 2409 O HOH 348 31.083 -2.954 34.653 1.00 41.95 O HETATM 2410 O HOH 349 65.996 1.264 35.249 1.00 38.68 O HETATM 2411 O HOH 350 61.862 14.551 56.617 1.00 29.08 O HETATM 2412 O HOH 351 65.767 -2.779 36.871 1.00 49.78 O HETATM 2413 O HOH 352 70.116 -10.528 59.228 1.00 51.43 O HETATM 2414 O HOH 353 54.606 13.367 42.561 1.00 46.04 O HETATM 2415 O HOH 354 35.560 11.342 27.737 1.00 41.14 O HETATM 2416 O HOH 355 71.712 -6.346 59.983 1.00 44.93 O HETATM 2417 O HOH 356 62.012 16.983 54.977 1.00 48.21 O HETATM 2418 O HOH 357 63.741 15.522 55.462 1.00 48.54 O HETATM 2419 O HOH 358 64.597 2.766 29.731 1.00 45.32 O HETATM 2420 O HOH 359 70.708 -13.099 59.183 1.00 41.01 O HETATM 2421 C01 MOL A 360 50.688 15.043 42.276 1.00 -0.03 C HETATM 2422 C02 MOL A 360 50.483 14.102 43.452 1.00 -0.06 C HETATM 2423 C03 MOL A 360 51.056 12.852 43.431 1.00 -0.07 C HETATM 2424 C04 MOL A 360 50.876 11.974 44.508 1.00 -0.05 C HETATM 2425 C05 MOL A 360 51.544 10.624 44.327 1.00 -0.03 C HETATM 2426 H5 MOL A 360 52.074 10.603 43.363 1.00 0.04 H HETATM 2427 H6 MOL A 360 50.781 9.832 44.343 1.00 0.04 H HETATM 2428 H7 MOL A 360 52.262 10.458 45.144 1.00 0.04 H HETATM 2429 C06 MOL A 360 50.088 12.410 45.625 1.00 0.02 C HETATM 2430 C07 MOL A 360 49.817 11.567 46.784 1.00 -0.02 C HETATM 2431 C08 MOL A 360 50.295 10.083 46.857 1.00 0.06 C HETATM 2432 P09 MOL A 360 48.901 9.072 46.129 1.00 0.07 P HETATM 2433 O10 MOL A 360 49.492 7.619 45.906 1.00 -0.56 O HETATM 2434 O11 MOL A 360 47.765 9.048 47.181 1.00 -0.56 O HETATM 2435 O12 MOL A 360 48.434 9.580 44.762 1.00 -0.56 O HETATM 2436 H8 MOL A 360 50.478 9.789 47.901 1.00 0.07 H HETATM 2437 H9 MOL A 360 51.216 9.947 46.271 1.00 0.07 H HETATM 2438 C13 MOL A 360 49.036 12.091 47.829 1.00 -0.01 C HETATM 2439 C14 MOL A 360 48.584 13.412 47.755 1.00 0.19 C HETATM 2440 N16 MOL A 360 48.843 14.100 46.676 1.00 -0.24 N HETATM 2441 C17 MOL A 360 49.574 13.679 45.640 1.00 0.08 C HETATM 2442 C18 MOL A 360 49.773 14.497 44.540 1.00 -0.04 C HETATM 2443 H11 MOL A 360 49.345 15.493 44.548 1.00 0.04 H HETATM 2444 H12 MOL A 360 48.461 15.022 46.620 1.00 0.24 H HETATM 2445 O15 MOL A 360 47.968 13.796 48.655 1.00 -0.42 O HETATM 2446 H10 MOL A 360 48.785 11.473 48.690 1.00 0.04 H HETATM 2447 H4 MOL A 360 51.650 12.545 42.578 1.00 0.04 H HETATM 2448 H1 MOL A 360 51.285 14.538 41.502 1.00 0.04 H HETATM 2449 H2 MOL A 360 51.217 15.945 42.616 1.00 0.04 H HETATM 2450 H3 MOL A 360 49.711 15.326 41.858 1.00 0.04 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 747 745 746 2062 CONECT 761 760 763 2062 CONECT 1341 1339 1340 2062 CONECT 1494 1493 2063 CONECT 1867 1865 1866 2063 CONECT 2062 747 761 1341 CONECT 2063 1494 1867 CONECT 2421 2422 2448 2449 2450 CONECT 2422 2421 2423 2442 CONECT 2423 2422 2424 2447 CONECT 2424 2423 2425 2429 CONECT 2425 2424 2426 2427 2428 CONECT 2426 2425 CONECT 2427 2425 CONECT 2428 2425 CONECT 2429 2424 2430 2441 CONECT 2430 2429 2431 2438 CONECT 2431 2430 2432 2436 2437 CONECT 2432 2431 2433 2434 2435 CONECT 2433 2432 CONECT 2434 2432 CONECT 2435 2432 CONECT 2436 2431 CONECT 2437 2431 CONECT 2438 2430 2439 2446 CONECT 2439 2438 2440 2445 CONECT 2440 2439 2441 2444 CONECT 2441 2429 2440 2442 CONECT 2442 2422 2441 2443 CONECT 2443 2442 CONECT 2444 2440 CONECT 2445 2439 CONECT 2446 2438 CONECT 2447 2423 CONECT 2448 2421 CONECT 2449 2421 CONECT 2450 2421 MASTER 0 0 0 0 0 0 0 0 2449 1 41 18 END
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RCSB PDB
PDBbind
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6d1g
RCSB PDB
PDBbind
233aa, >6D1G_1|Chain... at 98%
6d1d
RCSB PDB
PDBbind
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6d1j
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Metallo-beta-lactamase type 2
Ligand Name
7SX
EC.Number
E.C.3.5.2.6
Resolution
1.15(Å)
Affinity (Kd/Ki/IC50)
Ki=56.2uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 8480-8496
Ligand Properties
Formula
C
1
2
H
1
5
NO
4
P
Molecular Weight
268.226
Exact Mass
268.074
No. of atoms
33
No. of bonds
34
Polar Surface Area
107.14
LOGP Value
-0.58 (
Computed with XLOGP3
)
1.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
Cc1cc(C)c2c(c1)[nH]c(=O)cc2CP(O)(O)O
InChI String
InChI=1S/C12H16NO4P/c1-7-3-8(2)12-9(6-18(15,16)17)5-11(14)13-10(12)4-7/h3-5,15-18H,6H2,1-2H3,(H,13,14)
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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