Browse entries in the PDBbind-CN Database
HEADER 6HY7_COMPLEX COMPND 6HY7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 100 ASP GLY LYS TYR ALA GLN LYS LEU PHE ASN ASP LEU PHE SEQRES 2 A 100 GLU ASP TYR SER ASN ALA LEU ARG PRO VAL GLU ASP THR SEQRES 3 A 100 ASP LYS VAL LEU ASN VAL THR LEU GLN ILE THR LEU SER SEQRES 4 A 100 GLN ILE LYS ASP MET ASP GLU ARG ASN GLN ILE LEU THR SEQRES 5 A 100 ALA TYR LEU TRP ILE ARG GLN ILE TRP HIS ASP ALA TYR SEQRES 6 A 100 LEU THR TRP ASP ARG ASP GLN TYR ASP GLY LEU ASP SER SEQRES 7 A 100 ILE ARG ILE PRO SER ASP LEU VAL TRP ARG PRO ASP ILE SEQRES 8 A 100 VAL LEU TYR ASN LYS ALA ASP ASP GLU SEQRES 1 A 110 GLU PRO VAL ASN THR ASN VAL VAL LEU ARG TYR ASP GLY SEQRES 2 A 110 LEU ILE THR TRP ASP ALA PRO ALA ILE THR LYS SER SER SEQRES 3 A 110 CYS VAL VAL ASP VAL THR TYR PHE PRO PHE ASP ASN GLN SEQRES 4 A 110 GLN CYS ASN LEU THR PHE GLY SER TRP THR TYR ASN GLY SEQRES 5 A 110 ASN GLN VAL ASP ILE PHE ASN ALA LEU ASP SER GLY ASP SEQRES 6 A 110 LEU SER ASP PHE ILE GLU ASP VAL GLU TRP GLU VAL HIS SEQRES 7 A 110 GLY MET PRO ALA VAL LYS ASN VAL ILE SER TYR GLY CYS SEQRES 8 A 110 CYS SER GLU PRO TYR PRO ASP VAL THR PHE THR LEU LEU SEQRES 9 A 110 LEU LYS ARG ARG SER HIS HET GLY A 261 206 SSBOND 1 CYS A 130 CYS A 144 SSBOND 2 CYS A 194 CYS A 195 ATOM 1 N ASP A 2 84.498 4.766 76.238 1.00104.62 N ATOM 2 CA ASP A 2 84.690 4.234 74.887 1.00107.44 C ATOM 3 C ASP A 2 83.377 3.758 74.260 1.00101.75 C ATOM 4 O ASP A 2 82.291 4.137 74.719 1.00 91.15 O ATOM 5 CB ASP A 2 85.704 3.089 74.906 1.00113.27 C ATOM 6 CG ASP A 2 87.046 3.515 75.465 1.00115.43 C ATOM 7 OD1 ASP A 2 87.328 4.736 75.451 1.00117.28 O ATOM 8 OD2 ASP A 2 87.812 2.636 75.916 1.00111.78 O ATOM 9 HN3 ASP A 2 84.099 4.024 76.848 1.00 0.00 H ATOM 10 HN2 ASP A 2 83.845 5.575 76.201 1.00 0.00 H ATOM 11 HN1 ASP A 2 85.414 5.075 76.621 1.00 0.00 H ATOM 12 N GLY A 3 83.487 2.934 73.209 1.00101.64 N ATOM 13 CA GLY A 3 82.300 2.432 72.528 1.00105.01 C ATOM 14 C GLY A 3 81.300 1.813 73.480 1.00106.39 C ATOM 15 O GLY A 3 80.089 1.843 73.231 1.00103.43 O ATOM 16 H GLY A 3 84.430 2.649 72.875 1.00 0.00 H ATOM 17 N LYS A 4 81.792 1.247 74.582 1.00108.08 N ATOM 18 CA LYS A 4 80.918 0.775 75.648 1.00101.40 C ATOM 19 C LYS A 4 79.884 1.835 76.030 1.00 91.18 C ATOM 20 O LYS A 4 78.686 1.549 76.124 1.00 85.06 O ATOM 21 CB LYS A 4 81.776 0.389 76.853 1.00 97.57 C ATOM 22 CG LYS A 4 83.210 0.002 76.478 1.00 99.77 C ATOM 23 CD LYS A 4 84.018 -0.426 77.700 1.00 99.33 C ATOM 24 CE LYS A 4 84.527 0.761 78.495 1.00 92.66 C ATOM 25 NZ LYS A 4 85.628 1.436 77.766 1.00 90.34 N ATOM 26 HZ1 LYS A 4 86.409 0.764 77.621 1.00 0.00 H ATOM 27 HZ2 LYS A 4 85.279 1.769 76.844 1.00 0.00 H ATOM 28 HZ3 LYS A 4 85.966 2.247 78.323 1.00 0.00 H ATOM 29 H LYS A 4 82.822 1.140 74.683 1.00 0.00 H ATOM 30 N TYR A 5 80.336 3.069 76.255 1.00 79.15 N ATOM 31 CA TYR A 5 79.459 4.118 76.759 1.00 79.44 C ATOM 32 C TYR A 5 78.693 4.822 75.648 1.00 81.32 C ATOM 33 O TYR A 5 77.613 5.366 75.900 1.00 78.00 O ATOM 34 CB TYR A 5 80.261 5.148 77.565 1.00 75.48 C ATOM 35 CG TYR A 5 80.599 4.715 78.978 1.00 82.66 C ATOM 36 CD1 TYR A 5 81.833 4.147 79.279 1.00 87.18 C ATOM 37 CD2 TYR A 5 79.681 4.870 80.011 1.00 86.21 C ATOM 38 CE1 TYR A 5 82.146 3.748 80.575 1.00 93.28 C ATOM 39 CE2 TYR A 5 79.979 4.472 81.308 1.00 90.51 C ATOM 40 CZ TYR A 5 81.214 3.912 81.587 1.00 95.03 C ATOM 41 OH TYR A 5 81.515 3.523 82.879 1.00 96.02 O ATOM 42 HH TYR A 5 82.430 3.146 82.904 1.00 0.00 H ATOM 43 H TYR A 5 81.335 3.287 76.067 1.00 0.00 H ATOM 44 N ALA A 6 79.222 4.823 74.422 1.00 74.04 N ATOM 45 CA ALA A 6 78.498 5.436 73.315 1.00 70.36 C ATOM 46 C ALA A 6 77.148 4.760 73.099 1.00 71.57 C ATOM 47 O ALA A 6 76.164 5.419 72.738 1.00 73.74 O ATOM 48 CB ALA A 6 79.345 5.389 72.045 1.00 69.82 C ATOM 49 H ALA A 6 80.151 4.386 74.257 1.00 0.00 H ATOM 50 N GLN A 7 77.078 3.445 73.315 1.00 66.34 N ATOM 51 CA GLN A 7 75.801 2.753 73.195 1.00 63.59 C ATOM 52 C GLN A 7 74.868 3.139 74.329 1.00 63.52 C ATOM 53 O GLN A 7 73.667 3.342 74.119 1.00 62.99 O ATOM 54 CB GLN A 7 76.019 1.243 73.192 1.00 69.28 C ATOM 55 CG GLN A 7 77.268 0.796 72.481 1.00 76.50 C ATOM 56 CD GLN A 7 77.510 -0.683 72.646 1.00 90.43 C ATOM 57 OE1 GLN A 7 76.596 -1.435 72.989 1.00 93.65 O ATOM 58 NE2 GLN A 7 78.749 -1.114 72.415 1.00 96.42 N ATOM 59 HE22 GLN A 7 79.488 -0.442 72.127 1.00 0.00 H ATOM 60 HE21 GLN A 7 78.977 -2.123 72.522 1.00 0.00 H ATOM 61 H GLN A 7 77.935 2.914 73.569 1.00 0.00 H ATOM 62 N LYS A 8 75.405 3.222 75.546 1.00 63.74 N ATOM 63 CA LYS A 8 74.588 3.592 76.695 1.00 60.70 C ATOM 64 C LYS A 8 73.998 4.986 76.516 1.00 65.95 C ATOM 65 O LYS A 8 72.802 5.200 76.750 1.00 66.87 O ATOM 66 CB LYS A 8 75.433 3.510 77.964 1.00 60.75 C ATOM 67 CG LYS A 8 74.703 3.836 79.257 1.00 72.89 C ATOM 68 CD LYS A 8 73.551 2.880 79.506 1.00 72.98 C ATOM 69 CE LYS A 8 73.138 2.931 80.960 1.00 74.10 C ATOM 70 NZ LYS A 8 73.193 4.323 81.509 1.00 72.41 N ATOM 71 HZ1 LYS A 8 74.165 4.686 81.433 1.00 0.00 H ATOM 72 HZ2 LYS A 8 72.550 4.934 80.966 1.00 0.00 H ATOM 73 HZ3 LYS A 8 72.902 4.312 82.508 1.00 0.00 H ATOM 74 H LYS A 8 76.417 3.021 75.677 1.00 0.00 H ATOM 75 N LEU A 9 74.825 5.946 76.097 1.00 58.04 N ATOM 76 CA LEU A 9 74.344 7.307 75.902 1.00 53.81 C ATOM 77 C LEU A 9 73.254 7.340 74.835 1.00 52.60 C ATOM 78 O LEU A 9 72.167 7.881 75.058 1.00 53.25 O ATOM 79 CB LEU A 9 75.515 8.221 75.527 1.00 55.55 C ATOM 80 CG LEU A 9 75.196 9.676 75.187 1.00 45.35 C ATOM 81 CD1 LEU A 9 74.813 10.437 76.434 1.00 55.31 C ATOM 82 CD2 LEU A 9 76.370 10.333 74.511 1.00 45.34 C ATOM 83 H LEU A 9 75.822 5.720 75.908 1.00 0.00 H ATOM 84 N PHE A 10 73.520 6.736 73.677 1.00 50.22 N ATOM 85 CA PHE A 10 72.521 6.686 72.620 1.00 63.02 C ATOM 86 C PHE A 10 71.195 6.149 73.145 1.00 60.25 C ATOM 87 O PHE A 10 70.146 6.782 72.989 1.00 60.04 O ATOM 88 CB PHE A 10 73.018 5.834 71.450 1.00 67.03 C ATOM 89 CG PHE A 10 72.063 5.802 70.293 1.00 66.25 C ATOM 90 CD1 PHE A 10 71.012 4.897 70.267 1.00 73.87 C ATOM 91 CD2 PHE A 10 72.205 6.686 69.235 1.00 65.43 C ATOM 92 CE1 PHE A 10 70.121 4.872 69.204 1.00 76.36 C ATOM 93 CE2 PHE A 10 71.312 6.673 68.166 1.00 59.48 C ATOM 94 CZ PHE A 10 70.269 5.768 68.152 1.00 68.28 C ATOM 95 H PHE A 10 74.450 6.296 73.527 1.00 0.00 H ATOM 96 N ASN A 11 71.217 4.970 73.759 1.00 60.82 N ATOM 97 CA ASN A 11 69.986 4.433 74.318 1.00 60.05 C ATOM 98 C ASN A 11 69.334 5.417 75.285 1.00 59.44 C ATOM 99 O ASN A 11 68.132 5.680 75.191 1.00 58.04 O ATOM 100 CB ASN A 11 70.266 3.097 74.996 1.00 65.23 C ATOM 101 CG ASN A 11 70.490 2.002 73.997 1.00 73.85 C ATOM 102 OD1 ASN A 11 69.970 2.067 72.881 1.00 69.14 O ATOM 103 ND2 ASN A 11 71.266 0.991 74.373 1.00 82.39 N ATOM 104 HD22 ASN A 11 71.682 0.981 75.326 1.00 0.00 H ATOM 105 HD21 ASN A 11 71.457 0.209 73.714 1.00 0.00 H ATOM 106 H ASN A 11 72.106 4.436 73.839 1.00 0.00 H ATOM 107 N ASP A 12 70.111 5.983 76.211 1.00 48.06 N ATOM 108 CA ASP A 12 69.540 6.938 77.157 1.00 57.38 C ATOM 109 C ASP A 12 68.957 8.162 76.448 1.00 67.41 C ATOM 110 O ASP A 12 67.882 8.646 76.822 1.00 74.04 O ATOM 111 CB ASP A 12 70.597 7.360 78.174 1.00 62.12 C ATOM 112 CG ASP A 12 70.937 6.253 79.168 1.00 69.90 C ATOM 113 OD1 ASP A 12 70.209 5.234 79.209 1.00 66.31 O ATOM 114 OD2 ASP A 12 71.942 6.404 79.899 1.00 68.24 O ATOM 115 H ASP A 12 71.122 5.744 76.259 1.00 0.00 H ATOM 116 N LEU A 13 69.648 8.677 75.421 1.00 59.10 N ATOM 117 CA LEU A 13 69.188 9.889 74.737 1.00 58.97 C ATOM 118 C LEU A 13 67.858 9.670 74.026 1.00 57.05 C ATOM 119 O LEU A 13 66.960 10.517 74.098 1.00 56.14 O ATOM 120 CB LEU A 13 70.233 10.366 73.726 1.00 52.27 C ATOM 121 CG LEU A 13 71.559 10.963 74.201 1.00 51.07 C ATOM 122 CD1 LEU A 13 72.439 11.245 73.004 1.00 51.06 C ATOM 123 CD2 LEU A 13 71.325 12.218 74.996 1.00 44.55 C ATOM 124 H LEU A 13 70.522 8.210 75.105 1.00 0.00 H ATOM 125 N PHE A 14 67.712 8.545 73.329 1.00 53.07 N ATOM 126 CA PHE A 14 66.589 8.325 72.435 1.00 64.34 C ATOM 127 C PHE A 14 65.510 7.424 73.033 1.00 74.62 C ATOM 128 O PHE A 14 64.620 6.968 72.308 1.00 80.94 O ATOM 129 CB PHE A 14 67.107 7.769 71.112 1.00 56.62 C ATOM 130 CG PHE A 14 67.972 8.741 70.367 1.00 55.55 C ATOM 131 CD1 PHE A 14 67.409 9.662 69.495 1.00 48.11 C ATOM 132 CD2 PHE A 14 69.340 8.758 70.553 1.00 56.74 C ATOM 133 CE1 PHE A 14 68.200 10.577 68.809 1.00 42.41 C ATOM 134 CE2 PHE A 14 70.131 9.676 69.871 1.00 57.53 C ATOM 135 CZ PHE A 14 69.554 10.591 69.002 1.00 39.52 C ATOM 136 H PHE A 14 68.428 7.797 73.428 1.00 0.00 H ATOM 137 N GLU A 15 65.557 7.176 74.344 1.00 74.16 N ATOM 138 CA GLU A 15 64.511 6.383 74.979 1.00 85.12 C ATOM 139 C GLU A 15 63.161 7.088 74.915 1.00 88.59 C ATOM 140 O GLU A 15 62.125 6.429 74.787 1.00 93.25 O ATOM 141 CB GLU A 15 64.897 6.074 76.431 1.00 92.01 C ATOM 142 CG GLU A 15 64.095 4.953 77.091 1.00 99.33 C ATOM 143 CD GLU A 15 64.982 3.906 77.753 1.00109.08 C ATOM 144 OE1 GLU A 15 65.814 4.277 78.614 1.00108.66 O ATOM 145 OE2 GLU A 15 64.856 2.712 77.398 1.00114.98 O ATOM 146 H GLU A 15 66.342 7.550 74.914 1.00 0.00 H ATOM 147 N ASP A 16 63.152 8.423 75.001 1.00 89.00 N ATOM 148 CA ASP A 16 61.936 9.234 74.887 1.00 94.25 C ATOM 149 C ASP A 16 62.300 10.474 74.061 1.00 91.40 C ATOM 150 O ASP A 16 62.502 11.571 74.587 1.00100.62 O ATOM 151 CB ASP A 16 61.371 9.596 76.263 1.00102.26 C ATOM 152 CG ASP A 16 60.316 10.695 76.201 1.00114.27 C ATOM 153 OD1 ASP A 16 60.233 11.497 77.154 1.00118.51 O ATOM 154 OD2 ASP A 16 59.581 10.772 75.194 1.00120.05 O ATOM 155 H ASP A 16 64.057 8.912 75.157 1.00 0.00 H ATOM 156 N TYR A 17 62.400 10.293 72.746 1.00 73.32 N ATOM 157 CA TYR A 17 62.793 11.381 71.863 1.00 66.25 C ATOM 158 C TYR A 17 62.084 11.238 70.525 1.00 58.88 C ATOM 159 O TYR A 17 62.140 10.178 69.897 1.00 61.87 O ATOM 160 CB TYR A 17 64.309 11.411 71.646 1.00 68.45 C ATOM 161 CG TYR A 17 64.736 12.528 70.710 1.00 63.42 C ATOM 162 CD1 TYR A 17 64.929 13.819 71.180 1.00 51.69 C ATOM 163 CD2 TYR A 17 64.925 12.292 69.355 1.00 61.16 C ATOM 164 CE1 TYR A 17 65.301 14.844 70.328 1.00 55.17 C ATOM 165 CE2 TYR A 17 65.302 13.308 68.495 1.00 57.67 C ATOM 166 CZ TYR A 17 65.490 14.580 68.983 1.00 52.42 C ATOM 167 OH TYR A 17 65.860 15.578 68.114 1.00 46.86 O ATOM 168 HH TYR A 17 65.955 16.429 68.611 1.00 0.00 H ATOM 169 H TYR A 17 62.194 9.357 72.342 1.00 0.00 H ATOM 170 N SER A 18 61.444 12.312 70.089 1.00 45.58 N ATOM 171 CA SER A 18 60.720 12.357 68.827 1.00 43.04 C ATOM 172 C SER A 18 61.453 13.287 67.866 1.00 49.41 C ATOM 173 O SER A 18 61.633 14.474 68.170 1.00 54.81 O ATOM 174 CB SER A 18 59.290 12.838 69.061 1.00 38.78 C ATOM 175 OG SER A 18 58.578 12.932 67.847 1.00 51.77 O ATOM 176 HG SER A 18 57.657 13.245 68.029 1.00 0.00 H ATOM 177 H SER A 18 61.459 13.168 70.679 1.00 0.00 H ATOM 178 N ASN A 19 61.875 12.756 66.714 1.00 41.25 N ATOM 179 CA ASN A 19 62.521 13.595 65.705 1.00 45.12 C ATOM 180 C ASN A 19 61.516 14.415 64.893 1.00 48.18 C ATOM 181 O ASN A 19 61.904 15.065 63.917 1.00 50.37 O ATOM 182 CB ASN A 19 63.411 12.757 64.769 1.00 42.86 C ATOM 183 CG ASN A 19 62.617 11.788 63.894 1.00 56.31 C ATOM 184 OD1 ASN A 19 61.384 11.751 63.939 1.00 60.22 O ATOM 185 ND2 ASN A 19 63.330 11.002 63.088 1.00 49.14 N ATOM 186 HD22 ASN A 19 64.368 11.067 63.083 1.00 0.00 H ATOM 187 HD21 ASN A 19 62.849 10.323 62.464 1.00 0.00 H ATOM 188 H ASN A 19 61.743 11.740 66.534 1.00 0.00 H ATOM 189 N ALA A 20 60.243 14.412 65.282 1.00 50.51 N ATOM 190 CA ALA A 20 59.236 15.260 64.658 1.00 42.95 C ATOM 191 C ALA A 20 58.895 16.479 65.493 1.00 39.59 C ATOM 192 O ALA A 20 58.123 17.318 65.030 1.00 45.27 O ATOM 193 CB ALA A 20 57.950 14.466 64.389 1.00 40.96 C ATOM 194 H ALA A 20 59.957 13.782 66.059 1.00 0.00 H ATOM 195 N LEU A 21 59.439 16.586 66.707 1.00 37.30 N ATOM 196 CA LEU A 21 59.137 17.678 67.631 1.00 44.39 C ATOM 197 C LEU A 21 60.295 18.671 67.625 1.00 40.25 C ATOM 198 O LEU A 21 61.441 18.293 67.896 1.00 38.36 O ATOM 199 CB LEU A 21 58.894 17.143 69.046 1.00 44.70 C ATOM 200 CG LEU A 21 58.415 18.122 70.114 1.00 41.84 C ATOM 201 CD1 LEU A 21 56.971 18.462 69.843 1.00 46.58 C ATOM 202 CD2 LEU A 21 58.575 17.567 71.500 1.00 40.11 C ATOM 203 H LEU A 21 60.113 15.855 67.012 1.00 0.00 H ATOM 204 N ARG A 22 59.996 19.923 67.295 1.00 37.90 N ATOM 205 CA ARG A 22 60.984 21.002 67.346 1.00 37.79 C ATOM 206 C ARG A 22 61.586 21.021 68.742 1.00 37.64 C ATOM 207 O ARG A 22 60.851 21.221 69.714 1.00 38.94 O ATOM 208 CB ARG A 22 60.344 22.352 67.011 1.00 28.29 C ATOM 209 CG ARG A 22 61.340 23.484 66.768 1.00 36.91 C ATOM 210 CD ARG A 22 60.637 24.744 66.265 1.00 43.94 C ATOM 211 NE ARG A 22 59.522 25.052 67.142 1.00 39.19 N ATOM 212 CZ ARG A 22 59.546 25.974 68.091 1.00 38.84 C ATOM 213 NH1 ARG A 22 60.630 26.729 68.278 1.00 28.04 N ATOM 214 NH2 ARG A 22 58.466 26.144 68.844 1.00 38.57 N ATOM 215 HE ARG A 22 58.643 24.510 67.016 1.00 0.00 H ATOM 216 HH12 ARG A 22 60.638 27.451 69.027 1.00 0.00 H ATOM 217 HH11 ARG A 22 61.467 26.596 67.675 1.00 0.00 H ATOM 218 HH22 ARG A 22 58.464 26.863 69.595 1.00 0.00 H ATOM 219 HH21 ARG A 22 57.622 25.558 68.683 1.00 0.00 H ATOM 220 H ARG A 22 59.027 20.144 66.990 1.00 0.00 H ATOM 221 N PRO A 23 62.888 20.788 68.891 1.00 36.08 N ATOM 222 CA PRO A 23 63.487 20.526 70.220 1.00 42.83 C ATOM 223 C PRO A 23 63.706 21.753 71.099 1.00 41.07 C ATOM 224 O PRO A 23 64.825 22.102 71.483 1.00 36.39 O ATOM 225 CB PRO A 23 64.816 19.843 69.852 1.00 36.29 C ATOM 226 CG PRO A 23 65.138 20.346 68.486 1.00 34.13 C ATOM 227 CD PRO A 23 63.827 20.558 67.786 1.00 34.93 C ATOM 228 N VAL A 24 62.627 22.418 71.496 1.00 40.58 N ATOM 229 CA VAL A 24 62.715 23.519 72.452 1.00 45.60 C ATOM 230 C VAL A 24 61.990 23.117 73.733 1.00 58.03 C ATOM 231 O VAL A 24 61.006 22.366 73.706 1.00 60.11 O ATOM 232 CB VAL A 24 62.149 24.828 71.855 1.00 38.38 C ATOM 233 CG1 VAL A 24 63.083 25.346 70.748 1.00 29.13 C ATOM 234 CG2 VAL A 24 60.737 24.609 71.293 1.00 35.75 C ATOM 235 H VAL A 24 61.697 22.148 71.117 1.00 0.00 H ATOM 236 N GLU A 25 62.504 23.589 74.872 1.00 63.89 N ATOM 237 CA GLU A 25 61.860 23.271 76.144 1.00 67.09 C ATOM 238 C GLU A 25 60.476 23.899 76.207 1.00 68.93 C ATOM 239 O GLU A 25 59.489 23.227 76.526 1.00 64.48 O ATOM 240 CB GLU A 25 62.713 23.745 77.327 1.00 62.60 C ATOM 241 CG GLU A 25 64.188 23.359 77.292 1.00 67.35 C ATOM 242 CD GLU A 25 65.018 24.269 76.386 1.00 81.93 C ATOM 243 OE1 GLU A 25 64.433 25.146 75.701 1.00 81.90 O ATOM 244 OE2 GLU A 25 66.259 24.105 76.363 1.00 82.75 O ATOM 245 H GLU A 25 63.359 24.180 74.853 1.00 0.00 H ATOM 246 N ASP A 26 60.389 25.182 75.871 1.00 70.22 N ATOM 247 CA ASP A 26 59.144 25.941 75.846 1.00 75.64 C ATOM 248 C ASP A 26 58.731 26.171 74.390 1.00 72.10 C ATOM 249 O ASP A 26 59.553 26.593 73.569 1.00 75.23 O ATOM 250 CB ASP A 26 59.343 27.264 76.594 1.00 82.79 C ATOM 251 CG ASP A 26 58.056 28.003 76.832 1.00 98.19 C ATOM 252 OD1 ASP A 26 57.287 27.602 77.733 1.00108.32 O ATOM 253 OD2 ASP A 26 57.819 28.995 76.119 1.00102.23 O ATOM 254 H ASP A 26 61.266 25.677 75.609 1.00 0.00 H ATOM 255 N THR A 27 57.463 25.884 74.060 1.00 60.65 N ATOM 256 CA THR A 27 57.040 25.890 72.654 1.00 59.67 C ATOM 257 C THR A 27 57.071 27.275 72.011 1.00 56.53 C ATOM 258 O THR A 27 57.111 27.374 70.777 1.00 50.79 O ATOM 259 CB THR A 27 55.630 25.323 72.484 1.00 68.12 C ATOM 260 OG1 THR A 27 54.802 25.769 73.566 1.00 77.90 O ATOM 261 CG2 THR A 27 55.653 23.781 72.409 1.00 63.30 C ATOM 262 HG1 THR A 27 53.890 25.401 73.455 1.00 0.00 H ATOM 263 H THR A 27 56.775 25.656 74.805 1.00 0.00 H ATOM 264 N ASP A 28 57.023 28.349 72.789 1.00 54.71 N ATOM 265 CA ASP A 28 57.098 29.676 72.198 1.00 62.87 C ATOM 266 C ASP A 28 58.497 30.259 72.294 1.00 54.70 C ATOM 267 O ASP A 28 58.671 31.464 72.132 1.00 51.27 O ATOM 268 CB ASP A 28 56.070 30.618 72.829 1.00 62.47 C ATOM 269 CG ASP A 28 56.287 30.803 74.292 1.00 66.74 C ATOM 270 OD1 ASP A 28 57.448 30.996 74.697 1.00 72.71 O ATOM 271 OD2 ASP A 28 55.297 30.766 75.042 1.00 78.90 O ATOM 272 H ASP A 28 56.932 28.242 73.819 1.00 0.00 H ATOM 273 N LYS A 29 59.491 29.431 72.586 1.00 53.87 N ATOM 274 CA LYS A 29 60.878 29.804 72.377 1.00 55.94 C ATOM 275 C LYS A 29 61.265 29.478 70.939 1.00 55.33 C ATOM 276 O LYS A 29 60.809 28.478 70.366 1.00 45.68 O ATOM 277 CB LYS A 29 61.804 29.073 73.354 1.00 65.68 C ATOM 278 CG LYS A 29 62.067 29.812 74.660 1.00 76.03 C ATOM 279 CD LYS A 29 63.252 29.191 75.405 1.00 86.64 C ATOM 280 CE LYS A 29 64.326 30.239 75.695 1.00 89.80 C ATOM 281 NZ LYS A 29 65.700 29.655 75.759 1.00 88.62 N ATOM 282 HZ1 LYS A 29 65.737 28.942 76.515 1.00 0.00 H ATOM 283 HZ2 LYS A 29 65.928 29.208 74.848 1.00 0.00 H ATOM 284 HZ3 LYS A 29 66.387 30.410 75.958 1.00 0.00 H ATOM 285 H LYS A 29 59.271 28.492 72.974 1.00 0.00 H ATOM 286 N VAL A 30 62.091 30.347 70.356 1.00 41.78 N ATOM 287 CA VAL A 30 62.554 30.160 68.992 1.00 39.66 C ATOM 288 C VAL A 30 63.701 29.149 68.971 1.00 40.14 C ATOM 289 O VAL A 30 64.391 28.922 69.965 1.00 49.10 O ATOM 290 CB VAL A 30 62.984 31.511 68.386 1.00 37.31 C ATOM 291 CG1 VAL A 30 64.303 31.962 68.999 1.00 25.63 C ATOM 292 CG2 VAL A 30 63.079 31.416 66.869 1.00 38.65 C ATOM 293 H VAL A 30 62.412 31.179 70.891 1.00 0.00 H ATOM 294 N LEU A 31 63.907 28.522 67.821 1.00 35.21 N ATOM 295 CA LEU A 31 65.077 27.670 67.622 1.00 36.41 C ATOM 296 C LEU A 31 65.917 28.285 66.508 1.00 37.19 C ATOM 297 O LEU A 31 65.487 28.336 65.347 1.00 34.84 O ATOM 298 CB LEU A 31 64.692 26.217 67.316 1.00 39.71 C ATOM 299 CG LEU A 31 65.861 25.211 67.310 1.00 38.93 C ATOM 300 CD1 LEU A 31 65.410 23.838 67.710 1.00 30.80 C ATOM 301 CD2 LEU A 31 66.524 25.164 65.923 1.00 40.35 C ATOM 302 H LEU A 31 63.223 28.639 67.046 1.00 0.00 H ATOM 303 N ASN A 32 67.109 28.748 66.892 1.00 34.28 N ATOM 304 CA ASN A 32 68.058 29.426 66.018 1.00 29.49 C ATOM 305 C ASN A 32 68.901 28.417 65.239 1.00 38.97 C ATOM 306 O ASN A 32 69.340 27.402 65.783 1.00 39.69 O ATOM 307 CB ASN A 32 68.989 30.305 66.858 1.00 25.33 C ATOM 308 CG ASN A 32 68.308 31.559 67.419 1.00 31.71 C ATOM 309 OD1 ASN A 32 67.347 32.071 66.854 1.00 37.14 O ATOM 310 ND2 ASN A 32 68.828 32.056 68.539 1.00 42.37 N ATOM 311 HD22 ASN A 32 69.644 31.590 68.985 1.00 0.00 H ATOM 312 HD21 ASN A 32 68.419 32.910 68.968 1.00 0.00 H ATOM 313 H ASN A 32 67.380 28.615 67.887 1.00 0.00 H ATOM 314 N VAL A 33 69.162 28.725 63.970 1.00 38.13 N ATOM 315 CA VAL A 33 69.966 27.889 63.081 1.00 34.10 C ATOM 316 C VAL A 33 70.936 28.811 62.358 1.00 35.39 C ATOM 317 O VAL A 33 70.506 29.744 61.673 1.00 39.60 O ATOM 318 CB VAL A 33 69.114 27.119 62.039 1.00 33.11 C ATOM 319 CG1 VAL A 33 69.995 26.240 61.161 1.00 28.54 C ATOM 320 CG2 VAL A 33 68.012 26.286 62.686 1.00 27.75 C ATOM 321 H VAL A 33 68.771 29.611 63.590 1.00 0.00 H ATOM 322 N THR A 34 72.225 28.477 62.437 1.00 28.94 N ATOM 323 CA THR A 34 73.273 29.203 61.678 1.00 30.94 C ATOM 324 C THR A 34 73.581 28.340 60.450 1.00 40.56 C ATOM 325 O THR A 34 73.845 27.143 60.621 1.00 43.07 O ATOM 326 CB THR A 34 74.504 29.509 62.536 1.00 35.40 C ATOM 327 OG1 THR A 34 75.390 28.394 62.463 1.00 60.59 O ATOM 328 CG2 THR A 34 74.158 29.826 63.973 1.00 26.54 C ATOM 329 HG1 THR A 34 75.660 28.249 61.521 1.00 0.00 H ATOM 330 H THR A 34 72.504 27.684 63.049 1.00 0.00 H ATOM 331 N LEU A 35 73.535 28.943 59.265 1.00 35.77 N ATOM 332 CA LEU A 35 73.708 28.245 58.007 1.00 35.81 C ATOM 333 C LEU A 35 74.934 28.777 57.282 1.00 40.42 C ATOM 334 O LEU A 35 75.186 29.992 57.264 1.00 42.71 O ATOM 335 CB LEU A 35 72.477 28.407 57.136 1.00 31.96 C ATOM 336 CG LEU A 35 72.650 27.497 55.933 1.00 43.40 C ATOM 337 CD1 LEU A 35 71.439 26.614 55.718 1.00 50.76 C ATOM 338 CD2 LEU A 35 72.933 28.333 54.733 1.00 53.54 C ATOM 339 H LEU A 35 73.366 29.969 59.240 1.00 0.00 H ATOM 340 N GLN A 36 75.700 27.855 56.704 1.00 39.68 N ATOM 341 CA GLN A 36 76.910 28.159 55.946 1.00 46.19 C ATOM 342 C GLN A 36 76.897 27.352 54.653 1.00 51.33 C ATOM 343 O GLN A 36 76.680 26.134 54.680 1.00 45.02 O ATOM 344 CB GLN A 36 78.172 27.836 56.762 1.00 50.77 C ATOM 345 CG GLN A 36 79.484 28.002 56.003 1.00 57.41 C ATOM 346 CD GLN A 36 80.715 27.794 56.893 1.00 67.02 C ATOM 347 OE1 GLN A 36 80.652 27.961 58.120 1.00 68.39 O ATOM 348 NE2 GLN A 36 81.844 27.431 56.272 1.00 69.80 N ATOM 349 HE22 GLN A 36 81.852 27.302 55.240 1.00 0.00 H ATOM 350 HE21 GLN A 36 82.714 27.278 56.821 1.00 0.00 H ATOM 351 H GLN A 36 75.420 26.858 56.798 1.00 0.00 H ATOM 352 N ILE A 37 77.126 28.029 53.528 1.00 48.08 N ATOM 353 CA ILE A 37 77.152 27.404 52.206 1.00 39.39 C ATOM 354 C ILE A 37 78.592 27.378 51.717 1.00 40.42 C ATOM 355 O ILE A 37 79.261 28.417 51.699 1.00 38.98 O ATOM 356 CB ILE A 37 76.257 28.152 51.200 1.00 47.09 C ATOM 357 CG1 ILE A 37 74.804 28.197 51.681 1.00 53.71 C ATOM 358 CG2 ILE A 37 76.315 27.506 49.846 1.00 46.39 C ATOM 359 CD1 ILE A 37 74.023 26.946 51.456 1.00 37.71 C ATOM 360 H ILE A 37 77.295 29.053 53.594 1.00 0.00 H ATOM 361 N THR A 38 79.069 26.190 51.328 1.00 40.74 N ATOM 362 CA THR A 38 80.362 26.011 50.678 1.00 37.64 C ATOM 363 C THR A 38 80.131 25.698 49.204 1.00 50.89 C ATOM 364 O THR A 38 79.433 24.734 48.871 1.00 59.21 O ATOM 365 CB THR A 38 81.158 24.882 51.335 1.00 52.96 C ATOM 366 OG1 THR A 38 81.672 25.312 52.601 1.00 54.28 O ATOM 367 CG2 THR A 38 82.308 24.435 50.419 1.00 51.69 C ATOM 368 HG1 THR A 38 80.920 25.566 53.192 1.00 0.00 H ATOM 369 H THR A 38 78.485 25.347 51.499 1.00 0.00 H ATOM 370 N LEU A 39 80.716 26.499 48.322 1.00 42.68 N ATOM 371 CA LEU A 39 80.593 26.262 46.893 1.00 36.30 C ATOM 372 C LEU A 39 81.680 25.273 46.481 1.00 53.78 C ATOM 373 O LEU A 39 82.864 25.619 46.447 1.00 55.63 O ATOM 374 CB LEU A 39 80.702 27.568 46.112 1.00 46.62 C ATOM 375 CG LEU A 39 80.622 27.403 44.591 1.00 53.77 C ATOM 376 CD1 LEU A 39 79.272 26.808 44.203 1.00 52.76 C ATOM 377 CD2 LEU A 39 80.919 28.709 43.820 1.00 43.31 C ATOM 378 H LEU A 39 81.272 27.311 48.659 1.00 0.00 H ATOM 379 N SER A 40 81.297 24.008 46.274 1.00 54.97 N ATOM 380 CA SER A 40 82.294 22.993 45.840 1.00 61.49 C ATOM 381 C SER A 40 82.760 23.246 44.402 1.00 67.46 C ATOM 382 O SER A 40 83.982 23.334 44.194 1.00 69.35 O ATOM 383 CB SER A 40 81.740 21.603 45.983 1.00 56.52 C ATOM 384 OG SER A 40 81.913 21.132 47.307 1.00 61.99 O ATOM 385 HG SER A 40 81.543 20.217 47.382 1.00 0.00 H ATOM 386 H SER A 40 80.304 23.735 46.416 1.00 0.00 H ATOM 387 N GLN A 41 81.815 23.416 43.469 1.00 62.63 N ATOM 388 CA GLN A 41 82.144 23.681 42.042 1.00 68.58 C ATOM 389 C GLN A 41 80.882 24.095 41.280 1.00 63.99 C ATOM 390 O GLN A 41 79.780 23.859 41.797 1.00 59.67 O ATOM 391 CB GLN A 41 82.750 22.450 41.362 1.00 70.08 C ATOM 392 CG GLN A 41 81.717 21.512 40.756 1.00 65.75 C ATOM 393 CD GLN A 41 82.358 20.328 40.074 1.00 78.01 C ATOM 394 OE1 GLN A 41 81.686 19.489 39.482 1.00 82.98 O ATOM 395 NE2 GLN A 41 83.675 20.253 40.152 1.00 77.00 N ATOM 396 HE22 GLN A 41 84.208 20.985 40.663 1.00 0.00 H ATOM 397 HE21 GLN A 41 84.178 19.462 39.702 1.00 0.00 H ATOM 398 H GLN A 41 80.816 23.361 43.751 1.00 0.00 H ATOM 399 N ILE A 42 81.055 24.668 40.087 1.00 53.68 N ATOM 400 CA ILE A 42 79.900 25.035 39.218 1.00 49.80 C ATOM 401 C ILE A 42 79.746 23.894 38.209 1.00 57.66 C ATOM 402 O ILE A 42 80.588 23.802 37.306 1.00 65.17 O ATOM 403 CB ILE A 42 80.184 26.375 38.516 1.00 58.67 C ATOM 404 CG1 ILE A 42 80.285 27.527 39.517 1.00 51.88 C ATOM 405 CG2 ILE A 42 79.154 26.653 37.435 1.00 60.07 C ATOM 406 CD1 ILE A 42 80.671 28.843 38.896 1.00 62.76 C ATOM 407 H ILE A 42 82.021 24.864 39.755 1.00 0.00 H ATOM 408 N LYS A 43 78.743 23.032 38.395 1.00 63.16 N ATOM 409 CA LYS A 43 78.552 21.870 37.487 1.00 62.60 C ATOM 410 C LYS A 43 78.173 22.326 36.073 1.00 61.21 C ATOM 411 O LYS A 43 78.819 21.860 35.122 1.00 71.45 O ATOM 412 CB LYS A 43 77.501 20.915 38.060 1.00 56.63 C ATOM 413 CG LYS A 43 77.451 19.546 37.398 1.00 56.81 C ATOM 414 CD LYS A 43 78.797 18.854 37.386 1.00 68.19 C ATOM 415 CE LYS A 43 78.769 17.493 36.723 1.00 75.80 C ATOM 416 NZ LYS A 43 78.508 17.592 35.268 1.00 76.63 N ATOM 417 HZ1 LYS A 43 77.587 18.049 35.113 1.00 0.00 H ATOM 418 HZ2 LYS A 43 79.257 18.157 34.820 1.00 0.00 H ATOM 419 HZ3 LYS A 43 78.497 16.638 34.853 1.00 0.00 H ATOM 420 H LYS A 43 78.085 23.176 39.188 1.00 0.00 H ATOM 421 N ASP A 44 77.227 23.259 35.950 1.00 58.77 N ATOM 422 CA ASP A 44 76.797 23.725 34.632 1.00 54.66 C ATOM 423 C ASP A 44 76.094 25.070 34.758 1.00 60.38 C ATOM 424 O ASP A 44 75.090 25.188 35.468 1.00 68.62 O ATOM 425 CB ASP A 44 75.878 22.694 33.962 1.00 58.73 C ATOM 426 CG ASP A 44 75.287 23.187 32.639 1.00 68.63 C ATOM 427 OD1 ASP A 44 76.048 23.452 31.676 1.00 68.09 O ATOM 428 OD2 ASP A 44 74.045 23.286 32.556 1.00 73.45 O ATOM 429 H ASP A 44 76.789 23.661 36.804 1.00 0.00 H ATOM 430 N MET A 45 76.611 26.077 34.058 1.00 56.51 N ATOM 431 CA MET A 45 75.934 27.361 33.899 1.00 48.21 C ATOM 432 C MET A 45 75.275 27.391 32.526 1.00 56.34 C ATOM 433 O MET A 45 75.943 27.595 31.504 1.00 54.21 O ATOM 434 CB MET A 45 76.901 28.531 34.063 1.00 46.69 C ATOM 435 CG MET A 45 76.254 29.876 33.742 1.00 51.89 C ATOM 436 SD MET A 45 75.041 30.343 35.011 1.00 59.94 S ATOM 437 CE MET A 45 73.563 30.572 34.015 1.00 52.72 C ATOM 438 H MET A 45 77.537 25.944 33.605 1.00 0.00 H ATOM 439 N ASP A 46 73.966 27.216 32.506 1.00 66.46 N ATOM 440 CA ASP A 46 73.213 27.078 31.269 1.00 67.22 C ATOM 441 C ASP A 46 72.692 28.447 30.846 1.00 65.08 C ATOM 442 O ASP A 46 71.736 28.963 31.434 1.00 67.00 O ATOM 443 CB ASP A 46 72.079 26.079 31.465 1.00 69.01 C ATOM 444 CG ASP A 46 71.402 25.714 30.177 1.00 79.15 C ATOM 445 OD1 ASP A 46 71.102 26.615 29.364 1.00 85.56 O ATOM 446 OD2 ASP A 46 71.175 24.510 29.976 1.00 91.15 O ATOM 447 H ASP A 46 73.454 27.175 33.410 1.00 0.00 H ATOM 448 N GLU A 47 73.394 29.070 29.896 1.00 60.25 N ATOM 449 CA GLU A 47 73.053 30.421 29.374 1.00 54.61 C ATOM 450 C GLU A 47 71.719 30.411 28.622 1.00 60.92 C ATOM 451 O GLU A 47 70.954 31.371 28.777 1.00 73.32 O ATOM 452 CB GLU A 47 74.186 30.947 28.496 1.00 49.88 C ATOM 453 CG GLU A 47 75.502 31.054 29.237 1.00 52.62 C ATOM 454 CD GLU A 47 76.573 31.855 28.524 1.00 70.38 C ATOM 455 OE1 GLU A 47 76.277 32.987 28.104 1.00 76.18 O ATOM 456 OE2 GLU A 47 77.697 31.342 28.391 1.00 69.06 O ATOM 457 H GLU A 47 74.224 28.585 29.500 1.00 0.00 H ATOM 458 N ARG A 48 71.454 29.370 27.836 1.00 68.30 N ATOM 459 CA ARG A 48 70.197 29.332 27.045 1.00 83.03 C ATOM 460 C ARG A 48 68.977 29.320 27.969 1.00 92.18 C ATOM 461 O ARG A 48 68.035 30.091 27.706 1.00 98.16 O ATOM 462 CB ARG A 48 70.180 28.087 26.156 1.00 89.05 C ATOM 463 CG ARG A 48 68.954 27.981 25.262 1.00102.83 C ATOM 464 CD ARG A 48 69.268 27.172 24.019 1.00112.50 C ATOM 465 NE ARG A 48 70.349 27.785 23.262 1.00115.29 N ATOM 466 CZ ARG A 48 71.638 27.628 23.533 1.00113.78 C ATOM 467 NH1 ARG A 48 72.014 26.869 24.547 1.00109.43 N ATOM 468 NH2 ARG A 48 72.547 28.229 22.787 1.00114.92 N ATOM 469 HE ARG A 48 70.094 28.387 22.453 1.00 0.00 H ATOM 470 HH12 ARG A 48 73.025 26.747 24.758 1.00 0.00 H ATOM 471 HH11 ARG A 48 71.299 26.394 25.134 1.00 0.00 H ATOM 472 HH22 ARG A 48 73.558 28.106 22.999 1.00 0.00 H ATOM 473 HH21 ARG A 48 72.252 28.825 21.987 1.00 0.00 H ATOM 474 H ARG A 48 72.129 28.581 27.775 1.00 0.00 H ATOM 475 N ASN A 49 69.008 28.507 29.027 1.00 80.78 N ATOM 476 CA ASN A 49 67.841 28.423 29.943 1.00 71.88 C ATOM 477 C ASN A 49 68.070 29.297 31.181 1.00 60.16 C ATOM 478 O ASN A 49 67.167 29.343 32.030 1.00 60.94 O ATOM 479 CB ASN A 49 67.502 26.974 30.297 1.00 71.78 C ATOM 480 CG ASN A 49 66.022 26.685 30.178 1.00 95.81 C ATOM 481 OD1 ASN A 49 65.266 27.500 29.654 1.00107.18 O ATOM 482 ND2 ASN A 49 65.598 25.527 30.653 1.00100.50 N ATOM 483 HD22 ASN A 49 66.272 24.866 31.089 1.00 0.00 H ATOM 484 HD21 ASN A 49 64.590 25.277 30.591 1.00 0.00 H ATOM 485 H ASN A 49 69.853 27.929 29.211 1.00 0.00 H ATOM 486 N GLN A 50 69.231 29.955 31.265 1.00 59.51 N ATOM 487 CA GLN A 50 69.580 30.824 32.424 1.00 58.05 C ATOM 488 C GLN A 50 69.450 30.033 33.732 1.00 49.00 C ATOM 489 O GLN A 50 68.833 30.550 34.675 1.00 48.19 O ATOM 490 CB GLN A 50 68.751 32.111 32.427 1.00 59.56 C ATOM 491 CG GLN A 50 69.311 33.190 31.516 1.00 60.28 C ATOM 492 CD GLN A 50 70.757 33.472 31.835 1.00 59.18 C ATOM 493 OE1 GLN A 50 71.636 33.339 30.991 1.00 63.89 O ATOM 494 NE2 GLN A 50 71.016 33.847 33.074 1.00 59.95 N ATOM 495 HE22 GLN A 50 70.241 33.948 33.760 1.00 0.00 H ATOM 496 HE21 GLN A 50 71.995 34.042 33.364 1.00 0.00 H ATOM 497 H GLN A 50 69.918 29.856 30.490 1.00 0.00 H ATOM 498 N ILE A 51 69.973 28.806 33.760 1.00 51.62 N ATOM 499 CA ILE A 51 69.890 27.954 34.980 1.00 55.10 C ATOM 500 C ILE A 51 71.296 27.545 35.420 1.00 46.75 C ATOM 501 O ILE A 51 72.063 27.061 34.577 1.00 46.71 O ATOM 502 CB ILE A 51 68.996 26.724 34.737 1.00 53.83 C ATOM 503 CG1 ILE A 51 67.523 27.117 34.618 1.00 60.62 C ATOM 504 CG2 ILE A 51 69.210 25.682 35.820 1.00 43.38 C ATOM 505 CD1 ILE A 51 66.578 25.945 34.648 1.00 71.33 C ATOM 506 H ILE A 51 70.449 28.436 32.912 1.00 0.00 H ATOM 507 N LEU A 52 71.598 27.737 36.703 1.00 44.46 N ATOM 508 CA LEU A 52 72.867 27.337 37.272 1.00 48.38 C ATOM 509 C LEU A 52 72.654 26.029 38.021 1.00 49.27 C ATOM 510 O LEU A 52 71.673 25.884 38.759 1.00 43.39 O ATOM 511 CB LEU A 52 73.412 28.419 38.203 1.00 47.84 C ATOM 512 CG LEU A 52 74.509 28.028 39.193 1.00 50.57 C ATOM 513 CD1 LEU A 52 75.866 27.782 38.517 1.00 41.70 C ATOM 514 CD2 LEU A 52 74.605 29.107 40.258 1.00 47.44 C ATOM 515 H LEU A 52 70.895 28.192 37.320 1.00 0.00 H ATOM 516 N THR A 53 73.550 25.073 37.785 1.00 45.73 N ATOM 517 CA THR A 53 73.604 23.803 38.497 1.00 45.19 C ATOM 518 C THR A 53 74.897 23.791 39.296 1.00 47.01 C ATOM 519 O THR A 53 75.985 23.867 38.716 1.00 53.49 O ATOM 520 CB THR A 53 73.562 22.623 37.519 1.00 51.67 C ATOM 521 OG1 THR A 53 72.398 22.725 36.684 1.00 51.72 O ATOM 522 CG2 THR A 53 73.523 21.321 38.276 1.00 52.43 C ATOM 523 HG1 THR A 53 72.432 23.573 36.174 1.00 0.00 H ATOM 524 H THR A 53 74.258 25.244 37.043 1.00 0.00 H ATOM 525 N ALA A 54 74.785 23.707 40.619 1.00 51.58 N ATOM 526 CA ALA A 54 75.951 23.820 41.485 1.00 58.65 C ATOM 527 C ALA A 54 76.017 22.659 42.468 1.00 51.33 C ATOM 528 O ALA A 54 74.991 22.107 42.865 1.00 48.99 O ATOM 529 CB ALA A 54 75.953 25.159 42.270 1.00 38.71 C ATOM 530 H ALA A 54 73.847 23.558 41.043 1.00 0.00 H ATOM 531 N TYR A 55 77.247 22.303 42.848 1.00 49.08 N ATOM 532 CA TYR A 55 77.516 21.401 43.959 1.00 49.53 C ATOM 533 C TYR A 55 77.850 22.234 45.184 1.00 50.99 C ATOM 534 O TYR A 55 78.804 23.024 45.153 1.00 58.10 O ATOM 535 CB TYR A 55 78.683 20.462 43.664 1.00 56.01 C ATOM 536 CG TYR A 55 78.434 19.469 42.560 1.00 66.19 C ATOM 537 CD1 TYR A 55 77.152 19.214 42.113 1.00 65.09 C ATOM 538 CD2 TYR A 55 79.493 18.782 41.961 1.00 71.18 C ATOM 539 CE1 TYR A 55 76.927 18.303 41.098 1.00 72.07 C ATOM 540 CE2 TYR A 55 79.276 17.878 40.946 1.00 64.89 C ATOM 541 CZ TYR A 55 77.990 17.642 40.520 1.00 68.86 C ATOM 542 OH TYR A 55 77.756 16.743 39.511 1.00 77.99 O ATOM 543 HH TYR A 55 76.784 16.696 39.332 1.00 0.00 H ATOM 544 H TYR A 55 78.056 22.691 42.322 1.00 0.00 H ATOM 545 N LEU A 56 77.099 22.022 46.268 1.00 39.31 N ATOM 546 CA LEU A 56 77.263 22.772 47.506 1.00 50.17 C ATOM 547 C LEU A 56 77.387 21.822 48.684 1.00 45.86 C ATOM 548 O LEU A 56 76.835 20.720 48.667 1.00 36.97 O ATOM 549 CB LEU A 56 76.058 23.719 47.796 1.00 44.09 C ATOM 550 CG LEU A 56 75.351 24.492 46.694 1.00 46.18 C ATOM 551 CD1 LEU A 56 74.000 24.956 47.194 1.00 45.66 C ATOM 552 CD2 LEU A 56 76.196 25.673 46.295 1.00 43.47 C ATOM 553 H LEU A 56 76.364 21.288 46.226 1.00 0.00 H ATOM 554 N TRP A 57 78.059 22.292 49.735 1.00 50.86 N ATOM 555 CA TRP A 57 77.931 21.729 51.076 1.00 47.99 C ATOM 556 C TRP A 57 77.181 22.726 51.954 1.00 52.59 C ATOM 557 O TRP A 57 77.559 23.902 52.043 1.00 50.91 O ATOM 558 CB TRP A 57 79.296 21.375 51.674 1.00 49.15 C ATOM 559 CG TRP A 57 79.790 20.053 51.154 1.00 60.98 C ATOM 560 CD1 TRP A 57 80.530 19.838 50.031 1.00 60.16 C ATOM 561 CD2 TRP A 57 79.536 18.763 51.717 1.00 59.51 C ATOM 562 NE1 TRP A 57 80.763 18.493 49.863 1.00 59.72 N ATOM 563 CE2 TRP A 57 80.165 17.814 50.890 1.00 60.29 C ATOM 564 CE3 TRP A 57 78.845 18.321 52.844 1.00 60.63 C ATOM 565 CZ2 TRP A 57 80.127 16.453 51.158 1.00 58.36 C ATOM 566 CZ3 TRP A 57 78.806 16.976 53.106 1.00 63.11 C ATOM 567 CH2 TRP A 57 79.448 16.053 52.268 1.00 60.33 C ATOM 568 HE1 TRP A 57 81.304 18.063 49.085 1.00 0.00 H ATOM 569 H TRP A 57 78.703 23.096 49.593 1.00 0.00 H ATOM 570 N ILE A 58 76.109 22.261 52.581 1.00 54.95 N ATOM 571 CA ILE A 58 75.322 23.078 53.492 1.00 48.09 C ATOM 572 C ILE A 58 75.621 22.634 54.912 1.00 48.92 C ATOM 573 O ILE A 58 75.312 21.495 55.298 1.00 47.92 O ATOM 574 CB ILE A 58 73.824 22.968 53.196 1.00 44.91 C ATOM 575 CG1 ILE A 58 73.556 23.214 51.715 1.00 42.83 C ATOM 576 CG2 ILE A 58 73.100 23.982 54.026 1.00 39.91 C ATOM 577 CD1 ILE A 58 72.123 23.003 51.316 1.00 48.98 C ATOM 578 H ILE A 58 75.820 21.276 52.415 1.00 0.00 H ATOM 579 N ARG A 59 76.216 23.532 55.689 1.00 40.38 N ATOM 580 CA ARG A 59 76.456 23.300 57.102 1.00 34.71 C ATOM 581 C ARG A 59 75.429 24.059 57.933 1.00 42.55 C ATOM 582 O ARG A 59 75.349 25.296 57.865 1.00 43.57 O ATOM 583 CB ARG A 59 77.858 23.716 57.512 1.00 31.93 C ATOM 584 CG ARG A 59 77.977 23.746 59.007 1.00 42.71 C ATOM 585 CD ARG A 59 79.405 23.762 59.429 1.00 55.80 C ATOM 586 NE ARG A 59 80.027 22.477 59.143 1.00 59.79 N ATOM 587 CZ ARG A 59 81.018 21.971 59.863 1.00 59.93 C ATOM 588 NH1 ARG A 59 81.484 22.644 60.906 1.00 55.85 N ATOM 589 NH2 ARG A 59 81.534 20.792 59.550 1.00 63.04 N ATOM 590 HE ARG A 59 79.676 21.928 58.332 1.00 0.00 H ATOM 591 HH12 ARG A 59 82.262 22.250 61.474 1.00 0.00 H ATOM 592 HH11 ARG A 59 81.072 23.565 61.157 1.00 0.00 H ATOM 593 HH22 ARG A 59 82.312 20.398 60.117 1.00 0.00 H ATOM 594 HH21 ARG A 59 81.162 20.261 58.737 1.00 0.00 H ATOM 595 H ARG A 59 76.521 24.434 55.270 1.00 0.00 H ATOM 596 N GLN A 60 74.653 23.308 58.712 1.00 39.25 N ATOM 597 CA GLN A 60 73.628 23.837 59.595 1.00 31.62 C ATOM 598 C GLN A 60 73.997 23.517 61.034 1.00 39.66 C ATOM 599 O GLN A 60 74.460 22.412 61.337 1.00 35.58 O ATOM 600 CB GLN A 60 72.255 23.251 59.270 1.00 37.57 C ATOM 601 CG GLN A 60 71.738 23.565 57.870 1.00 43.30 C ATOM 602 CD GLN A 60 70.442 22.844 57.556 1.00 52.59 C ATOM 603 OE1 GLN A 60 69.437 23.023 58.238 1.00 55.76 O ATOM 604 NE2 GLN A 60 70.468 22.003 56.535 1.00 51.81 N ATOM 605 HE22 GLN A 60 71.341 21.882 55.983 1.00 0.00 H ATOM 606 HE21 GLN A 60 69.615 21.463 56.284 1.00 0.00 H ATOM 607 H GLN A 60 74.789 22.277 58.687 1.00 0.00 H ATOM 608 N ILE A 61 73.783 24.486 61.918 1.00 36.67 N ATOM 609 CA ILE A 61 74.136 24.356 63.322 1.00 25.38 C ATOM 610 C ILE A 61 72.973 24.854 64.153 1.00 26.72 C ATOM 611 O ILE A 61 72.401 25.914 63.865 1.00 30.96 O ATOM 612 CB ILE A 61 75.407 25.150 63.660 1.00 33.03 C ATOM 613 CG1 ILE A 61 76.560 24.734 62.754 1.00 42.31 C ATOM 614 CG2 ILE A 61 75.726 25.022 65.134 1.00 32.31 C ATOM 615 CD1 ILE A 61 77.796 25.609 62.948 1.00 45.10 C ATOM 616 H ILE A 61 73.346 25.372 61.593 1.00 0.00 H ATOM 617 N TRP A 62 72.633 24.105 65.197 1.00 29.82 N ATOM 618 CA TRP A 62 71.548 24.503 66.085 1.00 30.24 C ATOM 619 C TRP A 62 71.675 23.736 67.393 1.00 39.84 C ATOM 620 O TRP A 62 72.518 22.841 67.535 1.00 35.46 O ATOM 621 CB TRP A 62 70.186 24.277 65.425 1.00 31.38 C ATOM 622 CG TRP A 62 69.795 22.826 65.225 1.00 31.86 C ATOM 623 CD1 TRP A 62 68.997 22.092 66.033 1.00 31.68 C ATOM 624 CD2 TRP A 62 70.168 21.964 64.141 1.00 25.23 C ATOM 625 NE1 TRP A 62 68.842 20.827 65.527 1.00 26.72 N ATOM 626 CE2 TRP A 62 69.547 20.719 64.365 1.00 32.34 C ATOM 627 CE3 TRP A 62 70.965 22.121 63.009 1.00 31.01 C ATOM 628 CZ2 TRP A 62 69.704 19.618 63.498 1.00 34.46 C ATOM 629 CZ3 TRP A 62 71.119 21.048 62.141 1.00 35.08 C ATOM 630 CH2 TRP A 62 70.489 19.797 62.398 1.00 41.87 C ATOM 631 HE1 TRP A 62 68.276 20.070 65.961 1.00 0.00 H ATOM 632 H TRP A 62 73.149 23.221 65.383 1.00 0.00 H ATOM 633 N HIS A 63 70.837 24.113 68.356 1.00 31.66 N ATOM 634 CA HIS A 63 70.776 23.438 69.645 1.00 40.37 C ATOM 635 C HIS A 63 69.513 22.597 69.738 1.00 44.97 C ATOM 636 O HIS A 63 68.423 23.063 69.389 1.00 37.36 O ATOM 637 CB HIS A 63 70.812 24.427 70.814 1.00 41.10 C ATOM 638 CG HIS A 63 72.192 24.886 71.165 1.00 61.69 C ATOM 639 ND1 HIS A 63 73.062 24.115 71.905 1.00 64.26 N ATOM 640 CD2 HIS A 63 72.863 26.025 70.857 1.00 64.67 C ATOM 641 CE1 HIS A 63 74.205 24.764 72.052 1.00 67.51 C ATOM 642 NE2 HIS A 63 74.108 25.928 71.431 1.00 66.47 N ATOM 643 H HIS A 63 70.203 24.919 68.182 1.00 0.00 H ATOM 644 N ASP A 64 69.664 21.369 70.223 1.00 31.29 N ATOM 645 CA ASP A 64 68.548 20.492 70.520 1.00 32.30 C ATOM 646 C ASP A 64 68.446 20.418 72.033 1.00 38.94 C ATOM 647 O ASP A 64 69.387 19.978 72.697 1.00 46.03 O ATOM 648 CB ASP A 64 68.765 19.112 69.897 1.00 38.96 C ATOM 649 CG ASP A 64 67.596 18.164 70.128 1.00 39.48 C ATOM 650 OD1 ASP A 64 67.072 18.103 71.265 1.00 44.00 O ATOM 651 OD2 ASP A 64 67.203 17.482 69.162 1.00 41.79 O ATOM 652 H ASP A 64 70.628 21.020 70.398 1.00 0.00 H ATOM 653 N ALA A 65 67.320 20.864 72.580 1.00 36.78 N ATOM 654 CA ALA A 65 67.202 20.975 74.026 1.00 39.94 C ATOM 655 C ALA A 65 67.079 19.622 74.723 1.00 43.35 C ATOM 656 O ALA A 65 67.276 19.563 75.944 1.00 46.02 O ATOM 657 CB ALA A 65 66.013 21.874 74.391 1.00 28.97 C ATOM 658 H ALA A 65 66.520 21.135 71.972 1.00 0.00 H ATOM 659 N TYR A 66 66.803 18.544 73.976 1.00 42.17 N ATOM 660 CA TYR A 66 66.569 17.215 74.537 1.00 37.47 C ATOM 661 C TYR A 66 67.741 16.275 74.353 1.00 40.67 C ATOM 662 O TYR A 66 67.709 15.158 74.871 1.00 49.98 O ATOM 663 CB TYR A 66 65.328 16.572 73.889 1.00 38.47 C ATOM 664 CG TYR A 66 64.053 17.353 74.118 1.00 50.38 C ATOM 665 CD1 TYR A 66 63.408 17.318 75.345 1.00 58.90 C ATOM 666 CD2 TYR A 66 63.507 18.139 73.116 1.00 52.92 C ATOM 667 CE1 TYR A 66 62.254 18.035 75.570 1.00 65.14 C ATOM 668 CE2 TYR A 66 62.348 18.867 73.331 1.00 61.64 C ATOM 669 CZ TYR A 66 61.727 18.814 74.563 1.00 63.33 C ATOM 670 OH TYR A 66 60.569 19.526 74.801 1.00 57.92 O ATOM 671 HH TYR A 66 60.744 20.492 74.669 1.00 0.00 H ATOM 672 H TYR A 66 66.753 18.659 72.944 1.00 0.00 H ATOM 673 N LEU A 67 68.749 16.672 73.598 1.00 39.59 N ATOM 674 CA LEU A 67 69.848 15.773 73.308 1.00 33.40 C ATOM 675 C LEU A 67 71.103 16.180 74.073 1.00 38.29 C ATOM 676 O LEU A 67 72.193 16.236 73.501 1.00 49.31 O ATOM 677 CB LEU A 67 70.084 15.742 71.801 1.00 34.96 C ATOM 678 CG LEU A 67 68.925 15.056 71.052 1.00 48.33 C ATOM 679 CD1 LEU A 67 69.229 14.906 69.566 1.00 39.07 C ATOM 680 CD2 LEU A 67 68.584 13.689 71.680 1.00 35.68 C ATOM 681 H LEU A 67 68.754 17.636 73.209 1.00 0.00 H ATOM 682 N THR A 68 70.966 16.474 75.363 1.00 49.78 N ATOM 683 CA THR A 68 72.094 16.854 76.201 1.00 50.81 C ATOM 684 C THR A 68 72.435 15.719 77.165 1.00 53.23 C ATOM 685 O THR A 68 71.612 14.841 77.445 1.00 41.17 O ATOM 686 CB THR A 68 71.794 18.146 76.978 1.00 41.76 C ATOM 687 OG1 THR A 68 70.801 17.895 77.978 1.00 41.03 O ATOM 688 CG2 THR A 68 71.263 19.236 76.031 1.00 35.79 C ATOM 689 HG1 THR A 68 70.614 18.732 78.473 1.00 0.00 H ATOM 690 H THR A 68 70.018 16.431 75.789 1.00 0.00 H ATOM 691 N TRP A 69 73.664 15.737 77.677 1.00 56.36 N ATOM 692 CA TRP A 69 74.038 14.737 78.668 1.00 55.30 C ATOM 693 C TRP A 69 75.153 15.277 79.558 1.00 54.36 C ATOM 694 O TRP A 69 75.873 16.207 79.196 1.00 47.26 O ATOM 695 CB TRP A 69 74.438 13.405 78.001 1.00 46.80 C ATOM 696 CG TRP A 69 75.712 13.441 77.196 1.00 48.48 C ATOM 697 CD1 TRP A 69 76.970 13.251 77.664 1.00 52.26 C ATOM 698 CD2 TRP A 69 75.843 13.669 75.782 1.00 44.89 C ATOM 699 NE1 TRP A 69 77.883 13.346 76.639 1.00 54.60 N ATOM 700 CE2 TRP A 69 77.216 13.611 75.474 1.00 49.35 C ATOM 701 CE3 TRP A 69 74.938 13.934 74.755 1.00 44.01 C ATOM 702 CZ2 TRP A 69 77.707 13.808 74.181 1.00 46.26 C ATOM 703 CZ3 TRP A 69 75.423 14.114 73.473 1.00 44.17 C ATOM 704 CH2 TRP A 69 76.794 14.053 73.195 1.00 41.00 C ATOM 705 HE1 TRP A 69 78.913 13.235 76.734 1.00 0.00 H ATOM 706 H TRP A 69 74.350 16.457 77.373 1.00 0.00 H ATOM 707 N ASP A 70 75.255 14.685 80.747 1.00 62.47 N ATOM 708 CA ASP A 70 76.326 14.968 81.698 1.00 62.27 C ATOM 709 C ASP A 70 77.546 14.110 81.360 1.00 64.34 C ATOM 710 O ASP A 70 77.494 12.879 81.469 1.00 59.41 O ATOM 711 CB ASP A 70 75.824 14.690 83.117 1.00 67.05 C ATOM 712 CG ASP A 70 76.919 14.772 84.178 1.00 69.22 C ATOM 713 OD1 ASP A 70 78.079 15.139 83.872 1.00 62.58 O ATOM 714 OD2 ASP A 70 76.601 14.456 85.344 1.00 75.14 O ATOM 715 H ASP A 70 74.534 13.984 81.012 1.00 0.00 H ATOM 716 N ARG A 71 78.644 14.762 80.962 1.00 64.78 N ATOM 717 CA ARG A 71 79.817 14.049 80.454 1.00 60.19 C ATOM 718 C ARG A 71 80.411 13.093 81.484 1.00 73.13 C ATOM 719 O ARG A 71 80.912 12.019 81.127 1.00 79.24 O ATOM 720 CB ARG A 71 80.869 15.048 80.001 1.00 48.32 C ATOM 721 CG ARG A 71 80.532 15.716 78.703 1.00 53.02 C ATOM 722 CD ARG A 71 81.474 16.868 78.430 1.00 60.91 C ATOM 723 NE ARG A 71 81.302 17.930 79.417 1.00 57.69 N ATOM 724 CZ ARG A 71 82.018 19.048 79.436 1.00 55.15 C ATOM 725 NH1 ARG A 71 82.956 19.249 78.522 1.00 56.08 N ATOM 726 NH2 ARG A 71 81.802 19.957 80.371 1.00 54.84 N ATOM 727 HE ARG A 71 80.575 17.803 80.149 1.00 0.00 H ATOM 728 HH12 ARG A 71 83.517 20.125 78.537 1.00 0.00 H ATOM 729 HH11 ARG A 71 83.131 18.531 77.790 1.00 0.00 H ATOM 730 HH22 ARG A 71 82.363 20.832 80.385 1.00 0.00 H ATOM 731 HH21 ARG A 71 81.071 19.797 81.093 1.00 0.00 H ATOM 732 H ARG A 71 78.665 15.800 81.015 1.00 0.00 H ATOM 733 N ASP A 72 80.386 13.467 82.764 1.00 82.04 N ATOM 734 CA ASP A 72 80.932 12.600 83.807 1.00 83.89 C ATOM 735 C ASP A 72 80.081 11.363 84.056 1.00 75.50 C ATOM 736 O ASP A 72 80.517 10.479 84.795 1.00 78.00 O ATOM 737 CB ASP A 72 81.088 13.370 85.123 1.00 85.42 C ATOM 738 CG ASP A 72 81.879 14.662 84.967 1.00 85.36 C ATOM 739 OD1 ASP A 72 82.753 14.738 84.069 1.00 81.72 O ATOM 740 OD2 ASP A 72 81.621 15.601 85.755 1.00 86.35 O ATOM 741 H ASP A 72 79.973 14.386 83.023 1.00 0.00 H ATOM 742 N GLN A 73 78.880 11.288 83.487 1.00 63.90 N ATOM 743 CA GLN A 73 78.033 10.110 83.601 1.00 64.02 C ATOM 744 C GLN A 73 78.254 9.121 82.459 1.00 65.91 C ATOM 745 O GLN A 73 77.587 8.083 82.427 1.00 64.07 O ATOM 746 CB GLN A 73 76.543 10.507 83.643 1.00 61.10 C ATOM 747 CG GLN A 73 76.102 11.399 84.810 1.00 72.04 C ATOM 748 CD GLN A 73 76.249 10.724 86.177 1.00 92.59 C ATOM 749 OE1 GLN A 73 76.517 9.521 86.266 1.00104.06 O ATOM 750 NE2 GLN A 73 76.081 11.503 87.247 1.00 92.70 N ATOM 751 HE22 GLN A 73 75.856 12.511 87.126 1.00 0.00 H ATOM 752 HE21 GLN A 73 76.175 11.102 88.202 1.00 0.00 H ATOM 753 H GLN A 73 78.534 12.102 82.940 1.00 0.00 H ATOM 754 N TYR A 74 79.164 9.420 81.528 1.00 60.42 N ATOM 755 CA TYR A 74 79.377 8.620 80.321 1.00 65.46 C ATOM 756 C TYR A 74 80.862 8.549 79.995 1.00 73.93 C ATOM 757 O TYR A 74 81.279 8.749 78.852 1.00 61.23 O ATOM 758 CB TYR A 74 78.592 9.188 79.136 1.00 62.34 C ATOM 759 CG TYR A 74 77.114 9.102 79.353 1.00 55.91 C ATOM 760 CD1 TYR A 74 76.410 10.155 79.920 1.00 49.87 C ATOM 761 CD2 TYR A 74 76.431 7.946 79.046 1.00 54.11 C ATOM 762 CE1 TYR A 74 75.052 10.056 80.147 1.00 51.80 C ATOM 763 CE2 TYR A 74 75.086 7.839 79.263 1.00 46.99 C ATOM 764 CZ TYR A 74 74.400 8.884 79.817 1.00 45.35 C ATOM 765 OH TYR A 74 73.049 8.746 80.018 1.00 52.19 O ATOM 766 HH TYR A 74 72.883 7.983 80.626 1.00 0.00 H ATOM 767 H TYR A 74 79.752 10.266 81.668 1.00 0.00 H ATOM 768 N ASP A 75 81.674 8.275 81.022 1.00 82.66 N ATOM 769 CA ASP A 75 83.125 8.157 80.880 1.00 82.01 C ATOM 770 C ASP A 75 83.694 9.325 80.079 1.00 77.49 C ATOM 771 O ASP A 75 84.598 9.167 79.259 1.00 80.45 O ATOM 772 CB ASP A 75 83.501 6.812 80.255 1.00 99.06 C ATOM 773 CG ASP A 75 85.004 6.602 80.161 1.00110.55 C ATOM 774 OD1 ASP A 75 85.487 6.271 79.052 1.00116.17 O ATOM 775 OD2 ASP A 75 85.700 6.782 81.187 1.00107.22 O ATOM 776 H ASP A 75 81.255 8.140 81.964 1.00 0.00 H ATOM 777 N GLY A 76 83.144 10.514 80.315 1.00 79.89 N ATOM 778 CA GLY A 76 83.671 11.717 79.700 1.00 78.12 C ATOM 779 C GLY A 76 83.396 11.865 78.222 1.00 72.41 C ATOM 780 O GLY A 76 84.082 12.636 77.546 1.00 68.35 O ATOM 781 H GLY A 76 82.323 10.581 80.950 1.00 0.00 H ATOM 782 N LEU A 77 82.411 11.145 77.696 1.00 73.44 N ATOM 783 CA LEU A 77 82.064 11.257 76.286 1.00 74.38 C ATOM 784 C LEU A 77 81.335 12.573 76.034 1.00 65.79 C ATOM 785 O LEU A 77 80.369 12.902 76.730 1.00 61.58 O ATOM 786 CB LEU A 77 81.199 10.070 75.874 1.00 79.30 C ATOM 787 CG LEU A 77 80.988 9.866 74.380 1.00 78.76 C ATOM 788 CD1 LEU A 77 82.329 9.644 73.687 1.00 67.94 C ATOM 789 CD2 LEU A 77 80.039 8.694 74.166 1.00 80.31 C ATOM 790 H LEU A 77 81.878 10.489 78.302 1.00 0.00 H ATOM 791 N ASP A 78 81.799 13.330 75.039 1.00 59.62 N ATOM 792 CA ASP A 78 81.334 14.697 74.831 1.00 64.26 C ATOM 793 C ASP A 78 80.784 14.937 73.432 1.00 58.92 C ATOM 794 O ASP A 78 80.518 16.090 73.071 1.00 63.63 O ATOM 795 CB ASP A 78 82.479 15.680 75.090 1.00 72.20 C ATOM 796 CG ASP A 78 83.532 15.626 74.005 1.00 75.69 C ATOM 797 OD1 ASP A 78 83.632 14.572 73.340 1.00 80.02 O ATOM 798 OD2 ASP A 78 84.257 16.626 73.816 1.00 73.90 O ATOM 799 H ASP A 78 82.512 12.935 74.393 1.00 0.00 H ATOM 800 N SER A 79 80.607 13.889 72.639 1.00 53.86 N ATOM 801 CA SER A 79 80.369 14.015 71.208 1.00 55.48 C ATOM 802 C SER A 79 80.119 12.637 70.592 1.00 56.22 C ATOM 803 O SER A 79 80.820 11.678 70.940 1.00 56.43 O ATOM 804 CB SER A 79 81.571 14.707 70.549 1.00 43.98 C ATOM 805 OG SER A 79 81.585 14.529 69.145 1.00 51.27 O ATOM 806 HG SER A 79 82.374 14.990 68.763 1.00 0.00 H ATOM 807 H SER A 79 80.640 12.937 73.057 1.00 0.00 H ATOM 808 N ILE A 80 79.125 12.520 69.699 1.00 50.38 N ATOM 809 CA ILE A 80 78.827 11.263 69.007 1.00 56.61 C ATOM 810 C ILE A 80 78.269 11.562 67.621 1.00 55.94 C ATOM 811 O ILE A 80 77.465 12.480 67.441 1.00 54.35 O ATOM 812 CB ILE A 80 77.828 10.365 69.780 1.00 46.48 C ATOM 813 CG1 ILE A 80 76.435 10.986 69.761 1.00 53.33 C ATOM 814 CG2 ILE A 80 78.281 10.133 71.216 1.00 53.69 C ATOM 815 CD1 ILE A 80 75.404 10.170 70.471 1.00 61.21 C ATOM 816 H ILE A 80 78.542 13.355 69.489 1.00 0.00 H ATOM 817 N ARG A 81 78.686 10.758 66.644 1.00 47.89 N ATOM 818 CA ARG A 81 78.123 10.785 65.301 1.00 52.87 C ATOM 819 C ARG A 81 76.813 10.012 65.252 1.00 60.59 C ATOM 820 O ARG A 81 76.682 8.935 65.835 1.00 62.17 O ATOM 821 CB ARG A 81 79.089 10.188 64.285 1.00 61.38 C ATOM 822 CG ARG A 81 80.419 10.864 64.265 1.00 72.03 C ATOM 823 CD ARG A 81 80.883 11.103 62.847 1.00 77.95 C ATOM 824 NE ARG A 81 81.644 12.347 62.756 1.00 75.95 N ATOM 825 CZ ARG A 81 81.823 13.020 61.627 1.00 80.45 C ATOM 826 NH1 ARG A 81 81.293 12.555 60.497 1.00 85.71 N ATOM 827 NH2 ARG A 81 82.522 14.152 61.628 1.00 76.70 N ATOM 828 HE ARG A 81 82.070 12.726 63.626 1.00 0.00 H ATOM 829 HH12 ARG A 81 81.428 13.075 59.607 1.00 0.00 H ATOM 830 HH11 ARG A 81 80.744 11.671 60.505 1.00 0.00 H ATOM 831 HH22 ARG A 81 82.661 14.678 60.742 1.00 0.00 H ATOM 832 HH21 ARG A 81 82.929 14.511 62.515 1.00 0.00 H ATOM 833 H ARG A 81 79.448 10.081 66.850 1.00 0.00 H ATOM 834 N ILE A 82 75.853 10.564 64.527 1.00 57.06 N ATOM 835 CA ILE A 82 74.482 10.074 64.519 1.00 59.93 C ATOM 836 C ILE A 82 73.957 10.268 63.102 1.00 62.90 C ATOM 837 O ILE A 82 74.169 11.338 62.510 1.00 68.86 O ATOM 838 CB ILE A 82 73.628 10.822 65.560 1.00 68.39 C ATOM 839 CG1 ILE A 82 74.134 10.515 66.964 1.00 70.91 C ATOM 840 CG2 ILE A 82 72.168 10.423 65.478 1.00 76.08 C ATOM 841 CD1 ILE A 82 74.283 9.022 67.213 1.00 52.79 C ATOM 842 H ILE A 82 76.089 11.386 63.935 1.00 0.00 H ATOM 843 N PRO A 83 73.305 9.273 62.506 1.00 62.12 N ATOM 844 CA PRO A 83 72.602 9.519 61.243 1.00 56.87 C ATOM 845 C PRO A 83 71.631 10.679 61.410 1.00 54.10 C ATOM 846 O PRO A 83 70.797 10.684 62.319 1.00 55.67 O ATOM 847 CB PRO A 83 71.880 8.194 60.973 1.00 56.15 C ATOM 848 CG PRO A 83 72.707 7.182 61.667 1.00 60.45 C ATOM 849 CD PRO A 83 73.243 7.858 62.905 1.00 64.69 C ATOM 850 N SER A 84 71.760 11.678 60.530 1.00 52.15 N ATOM 851 CA SER A 84 70.970 12.902 60.660 1.00 50.06 C ATOM 852 C SER A 84 69.476 12.621 60.796 1.00 48.47 C ATOM 853 O SER A 84 68.765 13.383 61.451 1.00 47.80 O ATOM 854 CB SER A 84 71.228 13.833 59.467 1.00 46.78 C ATOM 855 OG SER A 84 71.003 13.174 58.224 1.00 52.11 O ATOM 856 HG SER A 84 71.611 12.396 58.149 1.00 0.00 H ATOM 857 H SER A 84 72.432 11.583 59.742 1.00 0.00 H ATOM 858 N ASP A 85 68.971 11.550 60.194 1.00 54.28 N ATOM 859 CA ASP A 85 67.530 11.359 60.249 1.00 58.86 C ATOM 860 C ASP A 85 67.044 10.904 61.624 1.00 52.45 C ATOM 861 O ASP A 85 65.829 10.833 61.840 1.00 51.90 O ATOM 862 CB ASP A 85 67.067 10.376 59.160 1.00 61.73 C ATOM 863 CG ASP A 85 67.466 8.939 59.449 1.00 67.38 C ATOM 864 OD1 ASP A 85 68.526 8.510 58.941 1.00 67.76 O ATOM 865 OD2 ASP A 85 66.724 8.248 60.190 1.00 63.72 O ATOM 866 H ASP A 85 69.585 10.871 59.700 1.00 0.00 H ATOM 867 N LEU A 86 67.945 10.622 62.569 1.00 37.84 N ATOM 868 CA LEU A 86 67.489 10.274 63.915 1.00 40.57 C ATOM 869 C LEU A 86 67.081 11.500 64.743 1.00 42.67 C ATOM 870 O LEU A 86 66.291 11.368 65.682 1.00 49.81 O ATOM 871 CB LEU A 86 68.571 9.485 64.662 1.00 42.81 C ATOM 872 CG LEU A 86 68.992 8.131 64.089 1.00 49.24 C ATOM 873 CD1 LEU A 86 69.940 7.452 65.030 1.00 51.34 C ATOM 874 CD2 LEU A 86 67.797 7.253 63.835 1.00 51.02 C ATOM 875 H LEU A 86 68.961 10.650 62.350 1.00 0.00 H ATOM 876 N VAL A 87 67.611 12.686 64.438 1.00 33.66 N ATOM 877 CA VAL A 87 67.345 13.878 65.240 1.00 37.07 C ATOM 878 C VAL A 87 66.399 14.787 64.473 1.00 39.66 C ATOM 879 O VAL A 87 66.317 14.735 63.245 1.00 37.57 O ATOM 880 CB VAL A 87 68.641 14.628 65.595 1.00 32.94 C ATOM 881 CG1 VAL A 87 69.588 13.717 66.322 1.00 30.65 C ATOM 882 CG2 VAL A 87 69.290 15.180 64.335 1.00 33.12 C ATOM 883 H VAL A 87 68.231 12.764 63.606 1.00 0.00 H ATOM 884 N TRP A 88 65.656 15.614 65.201 1.00 40.80 N ATOM 885 CA TRP A 88 64.871 16.639 64.531 1.00 36.81 C ATOM 886 C TRP A 88 65.821 17.505 63.718 1.00 45.59 C ATOM 887 O TRP A 88 66.956 17.775 64.127 1.00 52.15 O ATOM 888 CB TRP A 88 64.076 17.482 65.536 1.00 37.16 C ATOM 889 CG TRP A 88 63.361 18.676 64.912 1.00 51.62 C ATOM 890 CD1 TRP A 88 62.045 18.745 64.518 1.00 49.08 C ATOM 891 CD2 TRP A 88 63.929 19.956 64.617 1.00 47.01 C ATOM 892 NE1 TRP A 88 61.772 19.981 64.002 1.00 50.32 N ATOM 893 CE2 TRP A 88 62.907 20.747 64.052 1.00 48.33 C ATOM 894 CE3 TRP A 88 65.202 20.515 64.784 1.00 32.79 C ATOM 895 CZ2 TRP A 88 63.118 22.070 63.650 1.00 40.72 C ATOM 896 CZ3 TRP A 88 65.403 21.835 64.396 1.00 37.05 C ATOM 897 CH2 TRP A 88 64.368 22.590 63.824 1.00 36.06 C ATOM 898 HE1 TRP A 88 60.851 20.290 63.631 1.00 0.00 H ATOM 899 H TRP A 88 65.636 15.529 66.237 1.00 0.00 H ATOM 900 N ARG A 89 65.374 17.902 62.540 1.00 39.81 N ATOM 901 CA ARG A 89 66.210 18.669 61.636 1.00 44.58 C ATOM 902 C ARG A 89 65.437 19.874 61.116 1.00 49.27 C ATOM 903 O ARG A 89 64.220 19.802 60.911 1.00 52.35 O ATOM 904 CB ARG A 89 66.689 17.797 60.468 1.00 39.08 C ATOM 905 CG ARG A 89 67.797 16.835 60.826 1.00 43.79 C ATOM 906 CD ARG A 89 68.089 15.952 59.651 1.00 48.63 C ATOM 907 NE ARG A 89 66.886 15.240 59.244 1.00 56.69 N ATOM 908 CZ ARG A 89 66.833 14.400 58.212 1.00 63.85 C ATOM 909 NH1 ARG A 89 67.919 14.165 57.477 1.00 60.01 N ATOM 910 NH2 ARG A 89 65.694 13.788 57.920 1.00 54.00 N ATOM 911 HE ARG A 89 66.016 15.397 59.792 1.00 0.00 H ATOM 912 HH12 ARG A 89 67.870 13.508 56.672 1.00 0.00 H ATOM 913 HH11 ARG A 89 68.816 14.639 57.708 1.00 0.00 H ATOM 914 HH22 ARG A 89 65.648 13.131 57.115 1.00 0.00 H ATOM 915 HH21 ARG A 89 64.846 13.965 58.496 1.00 0.00 H ATOM 916 H ARG A 89 64.404 17.660 62.255 1.00 0.00 H ATOM 917 N PRO A 90 66.124 20.995 60.889 1.00 50.67 N ATOM 918 CA PRO A 90 65.413 22.276 60.737 1.00 56.99 C ATOM 919 C PRO A 90 64.670 22.459 59.419 1.00 60.76 C ATOM 920 O PRO A 90 63.920 23.441 59.314 1.00 81.28 O ATOM 921 CB PRO A 90 66.522 23.323 60.895 1.00 48.89 C ATOM 922 CG PRO A 90 67.793 22.591 60.742 1.00 53.27 C ATOM 923 CD PRO A 90 67.569 21.170 61.096 1.00 50.26 C ATOM 924 N ASP A 91 64.840 21.592 58.414 1.00 39.71 N ATOM 925 CA ASP A 91 63.882 21.603 57.312 1.00 35.40 C ATOM 926 C ASP A 91 64.131 22.723 56.281 1.00 44.46 C ATOM 927 O ASP A 91 63.225 23.172 55.574 1.00 44.02 O ATOM 928 CB ASP A 91 62.497 21.668 57.954 1.00 55.82 C ATOM 929 CG ASP A 91 61.414 22.009 57.001 1.00 65.51 C ATOM 930 OD1 ASP A 91 61.225 21.224 56.051 1.00 65.83 O ATOM 931 OD2 ASP A 91 60.745 23.053 57.232 1.00 55.61 O ATOM 932 H ASP A 91 65.638 20.924 58.418 1.00 0.00 H ATOM 933 N ILE A 92 65.373 23.127 56.124 1.00 38.20 N ATOM 934 CA ILE A 92 65.718 24.251 55.276 1.00 40.81 C ATOM 935 C ILE A 92 65.955 23.766 53.855 1.00 45.26 C ATOM 936 O ILE A 92 66.678 22.794 53.632 1.00 51.56 O ATOM 937 CB ILE A 92 66.940 24.979 55.848 1.00 46.43 C ATOM 938 CG1 ILE A 92 66.548 25.566 57.216 1.00 38.02 C ATOM 939 CG2 ILE A 92 67.477 26.014 54.851 1.00 51.99 C ATOM 940 CD1 ILE A 92 67.654 26.201 57.956 1.00 34.18 C ATOM 941 H ILE A 92 66.133 22.623 56.625 1.00 0.00 H ATOM 942 N VAL A 93 65.338 24.451 52.895 1.00 37.99 N ATOM 943 CA VAL A 93 65.370 24.097 51.488 1.00 32.80 C ATOM 944 C VAL A 93 65.692 25.336 50.654 1.00 49.26 C ATOM 945 O VAL A 93 65.577 26.482 51.112 1.00 40.92 O ATOM 946 CB VAL A 93 64.030 23.512 51.024 1.00 39.49 C ATOM 947 CG1 VAL A 93 63.688 22.266 51.827 1.00 41.72 C ATOM 948 CG2 VAL A 93 62.921 24.585 51.148 1.00 42.11 C ATOM 949 H VAL A 93 64.797 25.295 53.171 1.00 0.00 H ATOM 950 N LEU A 94 66.065 25.081 49.398 1.00 32.61 N ATOM 951 CA LEU A 94 66.301 26.136 48.426 1.00 30.60 C ATOM 952 C LEU A 94 64.965 26.627 47.878 1.00 43.90 C ATOM 953 O LEU A 94 64.218 25.863 47.267 1.00 49.87 O ATOM 954 CB LEU A 94 67.198 25.642 47.292 1.00 35.12 C ATOM 955 CG LEU A 94 67.418 26.687 46.188 1.00 44.86 C ATOM 956 CD1 LEU A 94 68.417 27.764 46.633 1.00 36.51 C ATOM 957 CD2 LEU A 94 67.842 26.063 44.857 1.00 40.81 C ATOM 958 H LEU A 94 66.191 24.091 49.104 1.00 0.00 H ATOM 959 N TYR A 95 64.662 27.906 48.094 1.00 42.22 N ATOM 960 CA TYR A 95 63.392 28.462 47.641 1.00 41.37 C ATOM 961 C TYR A 95 63.361 28.678 46.141 1.00 46.92 C ATOM 962 O TYR A 95 62.320 28.481 45.504 1.00 49.79 O ATOM 963 CB TYR A 95 63.130 29.806 48.309 1.00 44.35 C ATOM 964 CG TYR A 95 62.696 29.730 49.736 1.00 48.57 C ATOM 965 CD1 TYR A 95 62.363 28.511 50.330 1.00 42.20 C ATOM 966 CD2 TYR A 95 62.591 30.892 50.492 1.00 47.00 C ATOM 967 CE1 TYR A 95 61.949 28.453 51.642 1.00 46.13 C ATOM 968 CE2 TYR A 95 62.185 30.846 51.808 1.00 51.50 C ATOM 969 CZ TYR A 95 61.866 29.628 52.378 1.00 47.72 C ATOM 970 OH TYR A 95 61.459 29.602 53.678 1.00 46.28 O ATOM 971 HH TYR A 95 61.268 28.668 53.944 1.00 0.00 H ATOM 972 H TYR A 95 65.340 28.517 48.593 1.00 0.00 H ATOM 973 N ASN A 96 64.501 29.068 45.573 1.00 43.71 N ATOM 974 CA ASN A 96 64.659 29.495 44.192 1.00 47.17 C ATOM 975 C ASN A 96 64.795 28.322 43.221 1.00 52.46 C ATOM 976 O ASN A 96 65.343 28.507 42.132 1.00 56.54 O ATOM 977 CB ASN A 96 65.887 30.414 44.090 1.00 46.60 C ATOM 978 CG ASN A 96 65.782 31.434 42.959 1.00 49.80 C ATOM 979 OD1 ASN A 96 64.688 31.788 42.528 1.00 54.37 O ATOM 980 ND2 ASN A 96 66.929 31.913 42.480 1.00 48.56 N ATOM 981 HD22 ASN A 96 67.834 31.586 42.874 1.00 0.00 H ATOM 982 HD21 ASN A 96 66.919 32.614 41.712 1.00 0.00 H ATOM 983 H ASN A 96 65.353 29.067 46.170 1.00 0.00 H ATOM 984 N LYS A 97 64.297 27.138 43.577 1.00 54.35 N ATOM 985 CA LYS A 97 64.579 25.936 42.790 1.00 60.07 C ATOM 986 C LYS A 97 63.910 26.039 41.431 1.00 63.57 C ATOM 987 O LYS A 97 62.682 25.983 41.331 1.00 72.35 O ATOM 988 CB LYS A 97 64.096 24.684 43.515 1.00 54.36 C ATOM 989 CG LYS A 97 65.200 23.780 44.046 1.00 70.58 C ATOM 990 CD LYS A 97 65.872 22.954 42.927 1.00 80.26 C ATOM 991 CE LYS A 97 67.124 22.204 43.422 1.00 68.86 C ATOM 992 NZ LYS A 97 67.685 21.323 42.365 1.00 73.52 N ATOM 993 HZ1 LYS A 97 66.970 20.622 42.084 1.00 0.00 H ATOM 994 HZ2 LYS A 97 67.950 21.899 41.540 1.00 0.00 H ATOM 995 HZ3 LYS A 97 68.526 20.834 42.733 1.00 0.00 H ATOM 996 H LYS A 97 63.700 27.067 44.426 1.00 0.00 H ATOM 997 N ALA A 98 64.705 26.192 40.376 1.00 59.91 N ATOM 998 CA ALA A 98 64.127 26.016 39.054 1.00 62.26 C ATOM 999 C ALA A 98 63.825 24.545 38.805 1.00 71.03 C ATOM 1000 O ALA A 98 62.853 24.224 38.114 1.00 75.17 O ATOM 1001 CB ALA A 98 65.054 26.584 37.978 1.00 51.03 C ATOM 1002 H ALA A 98 65.710 26.431 40.493 1.00 0.00 H ATOM 1003 N ASP A 99 64.611 23.648 39.404 1.00 82.91 N ATOM 1004 CA ASP A 99 64.399 22.211 39.255 1.00 84.39 C ATOM 1005 C ASP A 99 62.972 21.834 39.631 1.00 85.50 C ATOM 1006 O ASP A 99 62.414 22.331 40.615 1.00 78.15 O ATOM 1007 H ASP A 99 65.399 23.983 39.995 1.00 0.00 H ATOM 1008 N ASP A 100 62.380 20.949 38.825 1.00 92.31 N ATOM 1009 CA ASP A 100 61.021 20.487 39.083 1.00 99.00 C ATOM 1010 C ASP A 100 60.994 19.399 40.149 1.00102.49 C ATOM 1011 O ASP A 100 60.150 19.434 41.052 1.00111.18 O ATOM 1012 H ASP A 100 62.897 20.583 38.000 1.00 0.00 H ATOM 1013 N GLU A 101 61.900 18.430 40.062 1.00 89.78 N ATOM 1014 CA GLU A 101 62.026 17.417 41.095 1.00 79.50 C ATOM 1015 C GLU A 101 62.595 18.053 42.353 1.00 83.70 C ATOM 1016 O GLU A 101 62.661 17.413 43.401 1.00 93.54 O ATOM 1017 H GLU A 101 62.532 18.397 39.237 1.00 0.00 H TER 1018 GLU A 101 ATOM 1019 N GLU A 104 67.718 11.337 44.073 1.00122.19 N ATOM 1020 CA GLU A 104 67.666 10.317 45.112 1.00125.28 C ATOM 1021 C GLU A 104 68.198 10.889 46.421 1.00131.42 C ATOM 1022 O GLU A 104 69.310 11.418 46.455 1.00132.12 O ATOM 1023 HN3 GLU A 104 68.702 11.645 43.940 1.00 0.00 H ATOM 1024 HN2 GLU A 104 67.134 12.150 44.357 1.00 0.00 H ATOM 1025 HN1 GLU A 104 67.354 10.942 43.182 1.00 0.00 H ATOM 1026 N PRO A 105 67.404 10.793 47.491 1.00133.36 N ATOM 1027 CA PRO A 105 67.851 11.310 48.791 1.00130.41 C ATOM 1028 C PRO A 105 69.090 10.568 49.275 1.00123.12 C ATOM 1029 O PRO A 105 69.386 9.452 48.839 1.00127.22 O ATOM 1030 CB PRO A 105 66.646 11.061 49.711 1.00128.21 C ATOM 1031 CG PRO A 105 65.478 10.894 48.780 1.00128.77 C ATOM 1032 CD PRO A 105 66.042 10.238 47.557 1.00132.46 C ATOM 1033 N VAL A 106 69.885 11.232 50.122 1.00109.32 N ATOM 1034 CA VAL A 106 71.169 10.625 50.588 1.00 98.10 C ATOM 1035 C VAL A 106 71.265 10.627 52.117 1.00 98.93 C ATOM 1036 O VAL A 106 70.971 11.668 52.736 1.00103.99 O ATOM 1037 CB VAL A 106 72.380 11.346 49.970 1.00 93.09 C ATOM 1038 CG1 VAL A 106 72.441 11.155 48.464 1.00 87.82 C ATOM 1039 CG2 VAL A 106 72.404 12.822 50.332 1.00102.08 C ATOM 1040 H VAL A 106 69.608 12.176 50.458 1.00 0.00 H ATOM 1041 N ASN A 107 71.716 9.504 52.680 1.00 88.34 N ATOM 1042 CA ASN A 107 71.914 9.364 54.145 1.00 85.71 C ATOM 1043 C ASN A 107 73.059 10.292 54.566 1.00 78.90 C ATOM 1044 O ASN A 107 74.103 10.279 53.889 1.00 71.78 O ATOM 1045 CB ASN A 107 72.244 7.916 54.509 1.00 87.61 C ATOM 1046 CG ASN A 107 71.462 6.908 53.694 1.00 89.96 C ATOM 1047 OD1 ASN A 107 71.865 5.755 53.575 1.00 94.92 O ATOM 1048 ND2 ASN A 107 70.348 7.334 53.123 1.00 92.11 N ATOM 1049 HD22 ASN A 107 70.043 8.320 53.250 1.00 0.00 H ATOM 1050 HD21 ASN A 107 69.777 6.683 52.547 1.00 0.00 H ATOM 1051 H ASN A 107 71.938 8.693 52.067 1.00 0.00 H ATOM 1052 N THR A 108 72.884 11.021 55.672 1.00 72.76 N ATOM 1053 CA THR A 108 73.917 11.968 56.175 1.00 63.14 C ATOM 1054 C THR A 108 74.100 11.764 57.681 1.00 52.70 C ATOM 1055 O THR A 108 73.244 11.108 58.287 1.00 71.01 O ATOM 1056 CB THR A 108 73.572 13.428 55.857 1.00 74.87 C ATOM 1057 OG1 THR A 108 73.489 13.614 54.444 1.00 80.96 O ATOM 1058 CG2 THR A 108 74.572 14.396 56.448 1.00 72.83 C ATOM 1059 HG1 THR A 108 73.266 14.559 54.249 1.00 0.00 H ATOM 1060 H THR A 108 71.994 10.923 56.201 1.00 0.00 H ATOM 1061 N ASN A 109 75.203 12.265 58.237 1.00 43.97 N ATOM 1062 CA ASN A 109 75.490 12.109 59.687 1.00 49.07 C ATOM 1063 C ASN A 109 75.684 13.472 60.363 1.00 56.83 C ATOM 1064 O ASN A 109 76.365 14.333 59.780 1.00 48.60 O ATOM 1065 CB ASN A 109 76.778 11.315 59.913 1.00 47.41 C ATOM 1066 CG ASN A 109 76.584 9.814 59.937 1.00 65.19 C ATOM 1067 OD1 ASN A 109 75.495 9.324 60.220 1.00 69.58 O ATOM 1068 ND2 ASN A 109 77.645 9.078 59.655 1.00 60.27 N ATOM 1069 HD22 ASN A 109 78.549 9.537 59.420 1.00 0.00 H ATOM 1070 HD21 ASN A 109 77.576 8.040 59.668 1.00 0.00 H ATOM 1071 H ASN A 109 75.882 12.779 57.640 1.00 0.00 H ATOM 1072 N VAL A 110 75.088 13.656 61.543 1.00 40.00 N ATOM 1073 CA VAL A 110 75.336 14.845 62.345 1.00 48.84 C ATOM 1074 C VAL A 110 76.342 14.494 63.436 1.00 49.08 C ATOM 1075 O VAL A 110 76.564 13.326 63.778 1.00 43.77 O ATOM 1076 CB VAL A 110 74.062 15.434 62.990 1.00 48.95 C ATOM 1077 CG1 VAL A 110 72.929 15.561 61.997 1.00 44.54 C ATOM 1078 CG2 VAL A 110 73.652 14.602 64.207 1.00 39.02 C ATOM 1079 H VAL A 110 74.431 12.932 61.898 1.00 0.00 H ATOM 1080 N VAL A 111 76.957 15.531 63.988 1.00 33.21 N ATOM 1081 CA VAL A 111 77.753 15.430 65.201 1.00 36.73 C ATOM 1082 C VAL A 111 76.974 16.132 66.299 1.00 46.69 C ATOM 1083 O VAL A 111 76.660 17.326 66.182 1.00 54.71 O ATOM 1084 CB VAL A 111 79.150 16.043 65.012 1.00 47.02 C ATOM 1085 CG1 VAL A 111 79.892 16.139 66.339 1.00 50.58 C ATOM 1086 CG2 VAL A 111 79.946 15.227 63.998 1.00 46.15 C ATOM 1087 H VAL A 111 76.866 16.461 63.532 1.00 0.00 H ATOM 1088 N LEU A 112 76.632 15.388 67.343 1.00 39.58 N ATOM 1089 CA LEU A 112 75.869 15.895 68.477 1.00 31.84 C ATOM 1090 C LEU A 112 76.807 16.036 69.668 1.00 48.08 C ATOM 1091 O LEU A 112 77.426 15.055 70.096 1.00 55.41 O ATOM 1092 CB LEU A 112 74.715 14.955 68.811 1.00 33.55 C ATOM 1093 CG LEU A 112 74.051 15.026 70.185 1.00 42.87 C ATOM 1094 CD1 LEU A 112 73.290 16.357 70.411 1.00 38.91 C ATOM 1095 CD2 LEU A 112 73.117 13.840 70.317 1.00 38.82 C ATOM 1096 H LEU A 112 76.924 14.390 67.353 1.00 0.00 H ATOM 1097 N ARG A 113 76.905 17.244 70.201 1.00 38.44 N ATOM 1098 CA ARG A 113 77.802 17.560 71.299 1.00 31.30 C ATOM 1099 C ARG A 113 77.034 17.516 72.610 1.00 39.96 C ATOM 1100 O ARG A 113 75.808 17.655 72.642 1.00 41.95 O ATOM 1101 CB ARG A 113 78.454 18.933 71.080 1.00 41.88 C ATOM 1102 CG ARG A 113 79.568 19.306 72.033 1.00 49.48 C ATOM 1103 CD ARG A 113 80.163 20.692 71.682 1.00 59.42 C ATOM 1104 NE ARG A 113 79.286 21.810 72.056 1.00 65.63 N ATOM 1105 CZ ARG A 113 79.573 23.096 71.861 1.00 70.21 C ATOM 1106 NH1 ARG A 113 80.718 23.455 71.283 1.00 69.32 N ATOM 1107 NH2 ARG A 113 78.713 24.030 72.247 1.00 71.82 N ATOM 1108 HE ARG A 113 78.376 21.581 72.505 1.00 0.00 H ATOM 1109 HH12 ARG A 113 80.933 24.462 71.135 1.00 0.00 H ATOM 1110 HH11 ARG A 113 81.397 22.728 70.979 1.00 0.00 H ATOM 1111 HH22 ARG A 113 78.934 25.035 72.096 1.00 0.00 H ATOM 1112 HH21 ARG A 113 77.818 23.757 72.700 1.00 0.00 H ATOM 1113 H ARG A 113 76.310 18.004 69.814 1.00 0.00 H ATOM 1114 N TYR A 114 77.778 17.292 73.700 1.00 50.12 N ATOM 1115 CA TYR A 114 77.156 17.027 74.995 1.00 48.10 C ATOM 1116 C TYR A 114 76.195 18.134 75.402 1.00 41.75 C ATOM 1117 O TYR A 114 75.225 17.879 76.120 1.00 52.07 O ATOM 1118 CB TYR A 114 78.230 16.855 76.074 1.00 54.24 C ATOM 1119 CG TYR A 114 78.907 18.156 76.429 1.00 54.75 C ATOM 1120 CD1 TYR A 114 80.014 18.597 75.717 1.00 56.74 C ATOM 1121 CD2 TYR A 114 78.415 18.965 77.449 1.00 61.79 C ATOM 1122 CE1 TYR A 114 80.627 19.804 76.014 1.00 64.15 C ATOM 1123 CE2 TYR A 114 79.026 20.176 77.762 1.00 70.91 C ATOM 1124 CZ TYR A 114 80.134 20.589 77.037 1.00 67.08 C ATOM 1125 OH TYR A 114 80.752 21.786 77.329 1.00 58.70 O ATOM 1126 HH TYR A 114 81.519 21.918 76.717 1.00 0.00 H ATOM 1127 H TYR A 114 78.815 17.307 73.624 1.00 0.00 H ATOM 1128 N ASP A 115 76.449 19.369 74.979 1.00 44.52 N ATOM 1129 CA ASP A 115 75.582 20.482 75.350 1.00 53.32 C ATOM 1130 C ASP A 115 74.397 20.659 74.400 1.00 52.24 C ATOM 1131 O ASP A 115 73.795 21.733 74.382 1.00 49.82 O ATOM 1132 CB ASP A 115 76.387 21.785 75.430 1.00 46.90 C ATOM 1133 CG ASP A 115 76.896 22.250 74.073 1.00 55.03 C ATOM 1134 OD1 ASP A 115 76.938 21.442 73.126 1.00 61.83 O ATOM 1135 OD2 ASP A 115 77.267 23.432 73.955 1.00 67.38 O ATOM 1136 H ASP A 115 77.277 19.544 74.375 1.00 0.00 H ATOM 1137 N GLY A 116 74.055 19.641 73.609 1.00 52.59 N ATOM 1138 CA GLY A 116 72.921 19.725 72.714 1.00 46.23 C ATOM 1139 C GLY A 116 73.199 20.360 71.370 1.00 46.29 C ATOM 1140 O GLY A 116 72.276 20.464 70.552 1.00 44.91 O ATOM 1141 H GLY A 116 74.617 18.766 73.636 1.00 0.00 H ATOM 1142 N LEU A 117 74.428 20.796 71.114 1.00 47.86 N ATOM 1143 CA LEU A 117 74.764 21.425 69.848 1.00 36.26 C ATOM 1144 C LEU A 117 74.900 20.374 68.757 1.00 38.32 C ATOM 1145 O LEU A 117 75.654 19.401 68.907 1.00 42.70 O ATOM 1146 CB LEU A 117 76.058 22.223 69.972 1.00 41.36 C ATOM 1147 CG LEU A 117 76.283 23.043 68.704 1.00 45.48 C ATOM 1148 CD1 LEU A 117 75.605 24.397 68.855 1.00 43.44 C ATOM 1149 CD2 LEU A 117 77.752 23.174 68.378 1.00 42.67 C ATOM 1150 H LEU A 117 75.167 20.684 71.837 1.00 0.00 H ATOM 1151 N ILE A 118 74.182 20.576 67.653 1.00 39.61 N ATOM 1152 CA ILE A 118 74.213 19.670 66.508 1.00 29.98 C ATOM 1153 C ILE A 118 74.797 20.403 65.313 1.00 36.53 C ATOM 1154 O ILE A 118 74.284 21.458 64.922 1.00 49.39 O ATOM 1155 CB ILE A 118 72.819 19.134 66.158 1.00 40.13 C ATOM 1156 CG1 ILE A 118 72.240 18.320 67.313 1.00 35.26 C ATOM 1157 CG2 ILE A 118 72.862 18.343 64.824 1.00 28.34 C ATOM 1158 CD1 ILE A 118 71.002 17.606 66.934 1.00 38.40 C ATOM 1159 H ILE A 118 73.572 21.417 67.604 1.00 0.00 H ATOM 1160 N THR A 119 75.861 19.844 64.740 1.00 34.15 N ATOM 1161 CA THR A 119 76.425 20.260 63.459 1.00 34.28 C ATOM 1162 C THR A 119 76.060 19.237 62.392 1.00 43.09 C ATOM 1163 O THR A 119 76.189 18.025 62.617 1.00 46.16 O ATOM 1164 CB THR A 119 77.944 20.401 63.554 1.00 40.94 C ATOM 1165 OG1 THR A 119 78.270 21.173 64.716 1.00 48.11 O ATOM 1166 CG2 THR A 119 78.490 21.112 62.340 1.00 45.76 C ATOM 1167 HG1 THR A 119 79.253 21.268 64.783 1.00 0.00 H ATOM 1168 H THR A 119 76.322 19.057 65.239 1.00 0.00 H ATOM 1169 N TRP A 120 75.581 19.721 61.246 1.00 42.22 N ATOM 1170 CA TRP A 120 75.083 18.860 60.172 1.00 43.61 C ATOM 1171 C TRP A 120 75.637 19.374 58.841 1.00 50.49 C ATOM 1172 O TRP A 120 75.186 20.403 58.321 1.00 45.10 O ATOM 1173 CB TRP A 120 73.556 18.805 60.178 1.00 41.82 C ATOM 1174 CG TRP A 120 72.960 17.946 59.057 1.00 46.69 C ATOM 1175 CD1 TRP A 120 73.537 16.865 58.454 1.00 49.67 C ATOM 1176 CD2 TRP A 120 71.691 18.133 58.404 1.00 50.49 C ATOM 1177 NE1 TRP A 120 72.704 16.362 57.477 1.00 47.87 N ATOM 1178 CE2 TRP A 120 71.567 17.120 57.430 1.00 49.21 C ATOM 1179 CE3 TRP A 120 70.644 19.050 58.559 1.00 51.67 C ATOM 1180 CZ2 TRP A 120 70.442 17.002 56.614 1.00 45.18 C ATOM 1181 CZ3 TRP A 120 69.526 18.930 57.742 1.00 49.12 C ATOM 1182 CH2 TRP A 120 69.437 17.916 56.783 1.00 45.26 C ATOM 1183 HE1 TRP A 120 72.908 15.540 56.874 1.00 0.00 H ATOM 1184 H TRP A 120 75.560 20.752 61.109 1.00 0.00 H ATOM 1185 N ASP A 121 76.648 18.682 58.318 1.00 54.02 N ATOM 1186 CA ASP A 121 77.139 18.923 56.969 1.00 55.45 C ATOM 1187 C ASP A 121 76.405 17.991 56.023 1.00 51.70 C ATOM 1188 O ASP A 121 76.297 16.791 56.288 1.00 60.01 O ATOM 1189 CB ASP A 121 78.642 18.681 56.869 1.00 58.06 C ATOM 1190 CG ASP A 121 79.440 19.616 57.734 1.00 59.39 C ATOM 1191 OD1 ASP A 121 79.391 20.845 57.515 1.00 62.65 O ATOM 1192 OD2 ASP A 121 80.117 19.118 58.649 1.00 63.14 O ATOM 1193 H ASP A 121 77.102 17.944 58.893 1.00 0.00 H ATOM 1194 N ALA A 122 75.878 18.544 54.934 1.00 41.40 N ATOM 1195 CA ALA A 122 75.167 17.712 53.992 1.00 49.26 C ATOM 1196 C ALA A 122 75.405 18.264 52.596 1.00 53.66 C ATOM 1197 O ALA A 122 75.423 19.489 52.418 1.00 45.29 O ATOM 1198 CB ALA A 122 73.664 17.650 54.282 1.00 46.04 C ATOM 1199 H ALA A 122 75.977 19.565 54.763 1.00 0.00 H ATOM 1200 N PRO A 123 75.616 17.399 51.609 1.00 55.34 N ATOM 1201 CA PRO A 123 75.827 17.866 50.234 1.00 46.98 C ATOM 1202 C PRO A 123 74.505 18.132 49.538 1.00 46.99 C ATOM 1203 O PRO A 123 73.469 17.560 49.884 1.00 41.45 O ATOM 1204 CB PRO A 123 76.550 16.685 49.578 1.00 48.96 C ATOM 1205 CG PRO A 123 75.959 15.492 50.305 1.00 52.40 C ATOM 1206 CD PRO A 123 75.849 15.950 51.747 1.00 43.76 C ATOM 1207 N ALA A 124 74.566 19.000 48.525 1.00 44.26 N ATOM 1208 CA ALA A 124 73.395 19.320 47.723 1.00 45.79 C ATOM 1209 C ALA A 124 73.808 19.728 46.320 1.00 49.73 C ATOM 1210 O ALA A 124 74.850 20.349 46.113 1.00 59.49 O ATOM 1211 CB ALA A 124 72.557 20.446 48.331 1.00 45.29 C ATOM 1212 H ALA A 124 75.473 19.459 48.304 1.00 0.00 H ATOM 1213 N ILE A 125 72.945 19.400 45.370 1.00 41.88 N ATOM 1214 CA ILE A 125 73.099 19.733 43.962 1.00 47.75 C ATOM 1215 C ILE A 125 71.868 20.556 43.606 1.00 57.02 C ATOM 1216 O ILE A 125 70.770 20.008 43.443 1.00 59.53 O ATOM 1217 CB ILE A 125 73.209 18.483 43.083 1.00 57.82 C ATOM 1218 CG1 ILE A 125 74.346 17.585 43.593 1.00 69.63 C ATOM 1219 CG2 ILE A 125 73.388 18.859 41.626 1.00 50.99 C ATOM 1220 CD1 ILE A 125 74.531 16.319 42.804 1.00 72.57 C ATOM 1221 H ILE A 125 72.097 18.867 45.650 1.00 0.00 H ATOM 1222 N THR A 126 72.045 21.867 43.484 1.00 52.01 N ATOM 1223 CA THR A 126 70.948 22.805 43.303 1.00 52.22 C ATOM 1224 C THR A 126 70.879 23.295 41.864 1.00 43.23 C ATOM 1225 O THR A 126 71.902 23.452 41.195 1.00 53.46 O ATOM 1226 CB THR A 126 71.114 24.008 44.239 1.00 49.15 C ATOM 1227 OG1 THR A 126 72.296 24.730 43.869 1.00 42.40 O ATOM 1228 CG2 THR A 126 71.242 23.542 45.676 1.00 42.27 C ATOM 1229 HG1 THR A 126 72.210 25.044 42.934 1.00 0.00 H ATOM 1230 H THR A 126 73.015 22.241 43.520 1.00 0.00 H ATOM 1231 N LYS A 127 69.658 23.553 41.396 1.00 47.46 N ATOM 1232 CA LYS A 127 69.425 24.206 40.110 1.00 51.98 C ATOM 1233 C LYS A 127 68.523 25.404 40.327 1.00 49.57 C ATOM 1234 O LYS A 127 67.432 25.265 40.888 1.00 46.31 O ATOM 1235 CB LYS A 127 68.781 23.268 39.088 1.00 58.88 C ATOM 1236 CG LYS A 127 69.675 22.144 38.619 1.00 66.59 C ATOM 1237 CD LYS A 127 68.834 20.930 38.290 1.00 71.71 C ATOM 1238 CE LYS A 127 68.579 20.819 36.805 1.00 81.57 C ATOM 1239 NZ LYS A 127 69.620 19.997 36.127 1.00 86.18 N ATOM 1240 HZ1 LYS A 127 70.552 20.436 36.268 1.00 0.00 H ATOM 1241 HZ2 LYS A 127 69.622 19.039 36.532 1.00 0.00 H ATOM 1242 HZ3 LYS A 127 69.410 19.944 35.110 1.00 0.00 H ATOM 1243 H LYS A 127 68.836 23.278 41.971 1.00 0.00 H ATOM 1244 N SER A 128 68.963 26.570 39.852 1.00 54.53 N ATOM 1245 CA SER A 128 68.334 27.839 40.204 1.00 41.55 C ATOM 1246 C SER A 128 68.566 28.845 39.090 1.00 40.22 C ATOM 1247 O SER A 128 69.576 28.786 38.388 1.00 45.39 O ATOM 1248 CB SER A 128 68.897 28.369 41.529 1.00 35.97 C ATOM 1249 OG SER A 128 70.311 28.459 41.472 1.00 40.06 O ATOM 1250 HG SER A 128 70.691 27.561 41.298 1.00 0.00 H ATOM 1251 H SER A 128 69.781 26.575 39.210 1.00 0.00 H ATOM 1252 N SER A 129 67.630 29.781 38.944 1.00 47.86 N ATOM 1253 CA SER A 129 67.685 30.735 37.846 1.00 50.46 C ATOM 1254 C SER A 129 68.722 31.828 38.095 1.00 46.86 C ATOM 1255 O SER A 129 69.031 32.193 39.233 1.00 43.05 O ATOM 1256 CB SER A 129 66.319 31.386 37.616 1.00 65.61 C ATOM 1257 OG SER A 129 65.374 30.449 37.143 1.00 78.46 O ATOM 1258 HG SER A 129 65.689 30.068 36.285 1.00 0.00 H ATOM 1259 H SER A 129 66.846 29.831 39.626 1.00 0.00 H ATOM 1260 N CYS A 130 69.242 32.364 37.002 1.00 44.63 N ATOM 1261 CA CYS A 130 70.203 33.446 37.043 1.00 49.14 C ATOM 1262 C CYS A 130 69.732 34.535 36.102 1.00 48.26 C ATOM 1263 O CYS A 130 68.934 34.299 35.189 1.00 49.12 O ATOM 1264 CB CYS A 130 71.612 32.983 36.640 1.00 47.92 C ATOM 1265 SG CYS A 130 72.276 31.643 37.637 1.00 50.68 S ATOM 1266 H CYS A 130 68.948 31.993 36.076 1.00 0.00 H ATOM 1267 N VAL A 131 70.250 35.731 36.342 1.00 43.90 N ATOM 1268 CA VAL A 131 69.960 36.909 35.540 1.00 47.48 C ATOM 1269 C VAL A 131 71.276 37.401 34.960 1.00 48.46 C ATOM 1270 O VAL A 131 72.296 37.440 35.661 1.00 44.72 O ATOM 1271 CB VAL A 131 69.271 38.010 36.383 1.00 51.48 C ATOM 1272 CG1 VAL A 131 68.916 39.201 35.524 1.00 56.80 C ATOM 1273 CG2 VAL A 131 68.023 37.453 37.061 1.00 50.84 C ATOM 1274 H VAL A 131 70.899 35.833 37.148 1.00 0.00 H ATOM 1275 N VAL A 132 71.254 37.758 33.677 1.00 50.19 N ATOM 1276 CA VAL A 132 72.444 38.282 33.021 1.00 56.21 C ATOM 1277 C VAL A 132 72.655 39.727 33.443 1.00 63.58 C ATOM 1278 O VAL A 132 71.704 40.460 33.733 1.00 57.53 O ATOM 1279 CB VAL A 132 72.327 38.163 31.489 1.00 56.98 C ATOM 1280 CG1 VAL A 132 73.412 38.996 30.806 1.00 51.20 C ATOM 1281 CG2 VAL A 132 72.419 36.715 31.055 1.00 43.84 C ATOM 1282 H VAL A 132 70.372 37.661 33.134 1.00 0.00 H ATOM 1283 N ASP A 133 73.917 40.140 33.497 1.00 74.03 N ATOM 1284 CA ASP A 133 74.256 41.549 33.621 1.00 70.78 C ATOM 1285 C ASP A 133 75.316 41.891 32.588 1.00 71.03 C ATOM 1286 O ASP A 133 76.392 41.284 32.570 1.00 65.61 O ATOM 1287 CB ASP A 133 74.743 41.910 35.022 1.00 70.36 C ATOM 1288 CG ASP A 133 75.078 43.394 35.142 1.00 76.50 C ATOM 1289 OD1 ASP A 133 76.276 43.756 35.108 1.00 72.28 O ATOM 1290 OD2 ASP A 133 74.129 44.202 35.217 1.00 77.37 O ATOM 1291 H ASP A 133 74.682 39.437 33.449 1.00 0.00 H ATOM 1292 N VAL A 134 75.008 42.865 31.735 1.00 69.44 N ATOM 1293 CA VAL A 134 75.922 43.334 30.704 1.00 68.81 C ATOM 1294 C VAL A 134 76.407 44.748 30.965 1.00 73.06 C ATOM 1295 O VAL A 134 77.247 45.248 30.206 1.00 71.11 O ATOM 1296 CB VAL A 134 75.281 43.232 29.306 1.00 69.03 C ATOM 1297 CG1 VAL A 134 75.094 41.765 28.914 1.00 70.28 C ATOM 1298 CG2 VAL A 134 73.935 43.962 29.266 1.00 69.72 C ATOM 1299 H VAL A 134 74.072 43.311 31.808 1.00 0.00 H ATOM 1300 N THR A 135 75.923 45.403 32.029 1.00 74.96 N ATOM 1301 CA THR A 135 76.254 46.796 32.336 1.00 80.86 C ATOM 1302 C THR A 135 77.558 46.949 33.119 1.00 81.06 C ATOM 1303 O THR A 135 78.351 47.855 32.832 1.00 79.29 O ATOM 1304 CB THR A 135 75.117 47.454 33.126 1.00 69.34 C ATOM 1305 OG1 THR A 135 75.168 47.014 34.489 1.00 64.35 O ATOM 1306 CG2 THR A 135 73.761 47.085 32.531 1.00 68.92 C ATOM 1307 HG1 THR A 135 75.067 46.030 34.521 1.00 0.00 H ATOM 1308 H THR A 135 75.279 44.896 32.670 1.00 0.00 H ATOM 1309 N TYR A 136 77.805 46.092 34.104 1.00 76.67 N ATOM 1310 CA TYR A 136 78.998 46.205 34.925 1.00 75.80 C ATOM 1311 C TYR A 136 80.171 45.490 34.277 1.00 73.75 C ATOM 1312 O TYR A 136 80.015 44.432 33.661 1.00 77.71 O ATOM 1313 CB TYR A 136 78.743 45.649 36.325 1.00 88.35 C ATOM 1314 CG TYR A 136 77.960 46.608 37.200 1.00 94.46 C ATOM 1315 CD1 TYR A 136 78.614 47.504 38.046 1.00 95.47 C ATOM 1316 CD2 TYR A 136 76.568 46.631 37.166 1.00 94.60 C ATOM 1317 CE1 TYR A 136 77.903 48.388 38.842 1.00 96.80 C ATOM 1318 CE2 TYR A 136 75.846 47.508 37.957 1.00 96.16 C ATOM 1319 CZ TYR A 136 76.518 48.385 38.794 1.00 98.77 C ATOM 1320 OH TYR A 136 75.801 49.257 39.583 1.00 94.02 O ATOM 1321 HH TYR A 136 76.427 49.809 40.116 1.00 0.00 H ATOM 1322 H TYR A 136 77.130 45.324 34.291 1.00 0.00 H ATOM 1323 N PHE A 137 81.344 46.090 34.409 1.00 81.75 N ATOM 1324 CA PHE A 137 82.558 45.474 33.898 1.00 85.36 C ATOM 1325 C PHE A 137 82.699 44.063 34.472 1.00 75.57 C ATOM 1326 O PHE A 137 82.385 43.840 35.645 1.00 77.00 O ATOM 1327 CB PHE A 137 83.765 46.355 34.260 1.00 77.14 C ATOM 1328 CG PHE A 137 85.102 45.708 34.014 1.00 77.15 C ATOM 1329 CD1 PHE A 137 85.561 45.493 32.721 1.00 83.24 C ATOM 1330 CD2 PHE A 137 85.909 45.330 35.079 1.00 69.28 C ATOM 1331 CE1 PHE A 137 86.796 44.895 32.494 1.00 82.57 C ATOM 1332 CE2 PHE A 137 87.144 44.735 34.862 1.00 72.32 C ATOM 1333 CZ PHE A 137 87.589 44.514 33.568 1.00 77.63 C ATOM 1334 H PHE A 137 81.398 47.014 34.884 1.00 0.00 H ATOM 1335 N PRO A 138 83.132 43.072 33.671 1.00 69.47 N ATOM 1336 CA PRO A 138 83.435 43.058 32.234 1.00 68.20 C ATOM 1337 C PRO A 138 82.237 42.797 31.306 1.00 62.03 C ATOM 1338 O PRO A 138 82.432 42.235 30.224 1.00 64.02 O ATOM 1339 CB PRO A 138 84.444 41.908 32.110 1.00 71.18 C ATOM 1340 CG PRO A 138 84.032 40.966 33.173 1.00 70.78 C ATOM 1341 CD PRO A 138 83.572 41.825 34.324 1.00 71.51 C ATOM 1342 N PHE A 139 81.029 43.188 31.714 1.00 55.81 N ATOM 1343 CA PHE A 139 79.877 43.222 30.814 1.00 64.28 C ATOM 1344 C PHE A 139 79.577 41.862 30.199 1.00 74.34 C ATOM 1345 O PHE A 139 79.095 41.782 29.067 1.00 87.72 O ATOM 1346 CB PHE A 139 80.085 44.255 29.709 1.00 63.04 C ATOM 1347 CG PHE A 139 80.903 45.432 30.144 1.00 66.78 C ATOM 1348 CD1 PHE A 139 80.362 46.392 30.985 1.00 68.00 C ATOM 1349 CD2 PHE A 139 82.215 45.572 29.727 1.00 67.28 C ATOM 1350 CE1 PHE A 139 81.106 47.475 31.398 1.00 62.47 C ATOM 1351 CE2 PHE A 139 82.966 46.649 30.131 1.00 74.17 C ATOM 1352 CZ PHE A 139 82.408 47.604 30.972 1.00 70.28 C ATOM 1353 H PHE A 139 80.902 43.478 32.705 1.00 0.00 H ATOM 1354 N ASP A 140 79.862 40.784 30.938 1.00 66.04 N ATOM 1355 CA ASP A 140 79.508 39.410 30.582 1.00 62.74 C ATOM 1356 C ASP A 140 79.341 38.704 31.924 1.00 59.70 C ATOM 1357 O ASP A 140 80.188 37.942 32.389 1.00 57.71 O ATOM 1358 CB ASP A 140 80.569 38.740 29.704 1.00 67.07 C ATOM 1359 CG ASP A 140 80.011 37.612 28.827 1.00 66.43 C ATOM 1360 OD1 ASP A 140 78.827 37.232 28.966 1.00 66.42 O ATOM 1361 OD2 ASP A 140 80.781 37.109 27.976 1.00 63.29 O ATOM 1362 H ASP A 140 80.373 40.934 31.831 1.00 0.00 H ATOM 1363 N ASN A 141 78.232 38.991 32.585 1.00 60.13 N ATOM 1364 CA ASN A 141 78.062 38.641 33.983 1.00 63.90 C ATOM 1365 C ASN A 141 76.830 37.768 34.176 1.00 59.58 C ATOM 1366 O ASN A 141 75.840 37.879 33.450 1.00 52.73 O ATOM 1367 CB ASN A 141 77.967 39.913 34.828 1.00 54.77 C ATOM 1368 CG ASN A 141 79.120 40.868 34.550 1.00 64.34 C ATOM 1369 OD1 ASN A 141 80.267 40.443 34.375 1.00 67.92 O ATOM 1370 ND2 ASN A 141 78.818 42.160 34.484 1.00 56.58 N ATOM 1371 HD22 ASN A 141 77.838 42.474 34.638 1.00 0.00 H ATOM 1372 HD21 ASN A 141 79.561 42.858 34.278 1.00 0.00 H ATOM 1373 H ASN A 141 77.460 39.481 32.089 1.00 0.00 H ATOM 1374 N GLN A 142 76.920 36.885 35.168 1.00 57.74 N ATOM 1375 CA GLN A 142 75.769 36.044 35.570 1.00 42.88 C ATOM 1376 C GLN A 142 75.565 36.274 37.067 1.00 52.85 C ATOM 1377 O GLN A 142 76.526 36.091 37.826 1.00 64.42 O ATOM 1378 CB GLN A 142 76.026 34.570 35.260 1.00 36.26 C ATOM 1379 CG GLN A 142 75.784 34.201 33.805 1.00 45.01 C ATOM 1380 CD GLN A 142 74.338 34.321 33.391 1.00 52.95 C ATOM 1381 OE1 GLN A 142 73.506 34.862 34.110 1.00 52.94 O ATOM 1382 NE2 GLN A 142 74.027 33.813 32.212 1.00 43.22 N ATOM 1383 HE22 GLN A 142 74.761 33.361 31.630 1.00 0.00 H ATOM 1384 HE21 GLN A 142 73.048 33.865 31.865 1.00 0.00 H ATOM 1385 H GLN A 142 77.823 36.783 35.674 1.00 0.00 H ATOM 1386 N GLN A 143 74.365 36.684 37.467 1.00 48.95 N ATOM 1387 CA GLN A 143 74.088 36.885 38.909 1.00 55.47 C ATOM 1388 C GLN A 143 73.162 35.748 39.335 1.00 45.25 C ATOM 1389 O GLN A 143 72.031 35.692 38.835 1.00 41.47 O ATOM 1390 CB GLN A 143 73.484 38.272 39.126 1.00 49.08 C ATOM 1391 CG GLN A 143 72.745 38.432 40.443 1.00 53.57 C ATOM 1392 CD GLN A 143 72.158 39.815 40.554 1.00 67.91 C ATOM 1393 OE1 GLN A 143 72.661 40.767 39.964 1.00 76.82 O ATOM 1394 NE2 GLN A 143 71.081 39.936 41.311 1.00 60.01 N ATOM 1395 HE22 GLN A 143 70.688 39.103 41.793 1.00 0.00 H ATOM 1396 HE21 GLN A 143 70.627 40.865 41.424 1.00 0.00 H ATOM 1397 H GLN A 143 73.618 36.864 36.766 1.00 0.00 H ATOM 1398 N CYS A 144 73.634 34.874 40.222 1.00 46.59 N ATOM 1399 CA CYS A 144 72.788 33.722 40.619 1.00 37.22 C ATOM 1400 C CYS A 144 72.491 33.770 42.119 1.00 34.41 C ATOM 1401 O CYS A 144 73.424 33.617 42.916 1.00 40.40 O ATOM 1402 CB CYS A 144 73.467 32.416 40.223 1.00 36.72 C ATOM 1403 SG CYS A 144 73.646 32.216 38.431 1.00 47.14 S ATOM 1404 H CYS A 144 74.582 34.997 40.631 1.00 0.00 H ATOM 1405 N ASN A 145 71.214 33.930 42.463 1.00 29.11 N ATOM 1406 CA ASN A 145 70.767 33.974 43.848 1.00 34.03 C ATOM 1407 C ASN A 145 70.430 32.576 44.349 1.00 40.70 C ATOM 1408 O ASN A 145 69.692 31.831 43.695 1.00 40.88 O ATOM 1409 CB ASN A 145 69.547 34.889 43.967 1.00 42.21 C ATOM 1410 CG ASN A 145 69.929 36.346 44.243 1.00 42.95 C ATOM 1411 OD1 ASN A 145 71.113 36.686 44.354 1.00 40.43 O ATOM 1412 ND2 ASN A 145 68.929 37.206 44.344 1.00 48.84 N ATOM 1413 HD22 ASN A 145 67.948 36.877 44.244 1.00 0.00 H ATOM 1414 HD21 ASN A 145 69.124 38.212 44.524 1.00 0.00 H ATOM 1415 H ASN A 145 70.505 34.028 41.709 1.00 0.00 H ATOM 1416 N LEU A 146 70.975 32.216 45.507 1.00 42.37 N ATOM 1417 CA LEU A 146 70.580 31.004 46.222 1.00 41.77 C ATOM 1418 C LEU A 146 69.954 31.431 47.540 1.00 35.32 C ATOM 1419 O LEU A 146 70.662 31.874 48.449 1.00 38.70 O ATOM 1420 CB LEU A 146 71.769 30.078 46.451 1.00 34.68 C ATOM 1421 CG LEU A 146 72.536 29.830 45.151 1.00 33.42 C ATOM 1422 CD1 LEU A 146 73.799 29.132 45.445 1.00 31.76 C ATOM 1423 CD2 LEU A 146 71.707 29.057 44.188 1.00 34.20 C ATOM 1424 H LEU A 146 71.712 32.821 45.921 1.00 0.00 H ATOM 1425 N THR A 147 68.631 31.302 47.625 1.00 41.95 N ATOM 1426 CA THR A 147 67.820 31.702 48.770 1.00 36.55 C ATOM 1427 C THR A 147 67.378 30.455 49.521 1.00 35.95 C ATOM 1428 O THR A 147 66.743 29.571 48.932 1.00 39.37 O ATOM 1429 CB THR A 147 66.601 32.484 48.296 1.00 35.45 C ATOM 1430 OG1 THR A 147 67.044 33.653 47.603 1.00 37.94 O ATOM 1431 CG2 THR A 147 65.681 32.863 49.471 1.00 31.43 C ATOM 1432 HG1 THR A 147 67.585 34.213 48.215 1.00 0.00 H ATOM 1433 H THR A 147 68.137 30.883 46.811 1.00 0.00 H ATOM 1434 N PHE A 148 67.705 30.393 50.811 1.00 30.93 N ATOM 1435 CA PHE A 148 67.398 29.260 51.669 1.00 33.91 C ATOM 1436 C PHE A 148 66.483 29.693 52.800 1.00 38.08 C ATOM 1437 O PHE A 148 66.614 30.793 53.328 1.00 34.05 O ATOM 1438 CB PHE A 148 68.673 28.638 52.263 1.00 32.40 C ATOM 1439 CG PHE A 148 69.586 28.086 51.240 1.00 32.41 C ATOM 1440 CD1 PHE A 148 69.441 26.783 50.808 1.00 29.48 C ATOM 1441 CD2 PHE A 148 70.571 28.879 50.676 1.00 48.75 C ATOM 1442 CE1 PHE A 148 70.284 26.268 49.840 1.00 44.00 C ATOM 1443 CE2 PHE A 148 71.418 28.375 49.708 1.00 51.23 C ATOM 1444 CZ PHE A 148 71.271 27.067 49.287 1.00 48.20 C ATOM 1445 H PHE A 148 68.209 31.201 51.228 1.00 0.00 H ATOM 1446 N GLY A 149 65.590 28.792 53.188 1.00 41.25 N ATOM 1447 CA GLY A 149 64.620 29.077 54.228 1.00 38.02 C ATOM 1448 C GLY A 149 63.849 27.817 54.568 1.00 42.48 C ATOM 1449 O GLY A 149 63.921 26.806 53.862 1.00 34.24 O ATOM 1450 H GLY A 149 65.585 27.856 52.734 1.00 0.00 H ATOM 1451 N SER A 150 63.090 27.909 55.660 1.00 38.67 N ATOM 1452 CA SER A 150 62.367 26.757 56.178 1.00 28.17 C ATOM 1453 C SER A 150 61.141 26.458 55.321 1.00 40.38 C ATOM 1454 O SER A 150 60.480 27.357 54.805 1.00 38.76 O ATOM 1455 CB SER A 150 61.965 27.004 57.627 1.00 28.02 C ATOM 1456 OG SER A 150 60.990 26.064 58.057 1.00 46.87 O ATOM 1457 HG SER A 150 61.360 25.149 57.983 1.00 0.00 H ATOM 1458 H SER A 150 63.013 28.822 56.152 1.00 0.00 H ATOM 1459 N TRP A 151 60.839 25.179 55.145 1.00 44.27 N ATOM 1460 CA TRP A 151 59.656 24.858 54.356 1.00 39.83 C ATOM 1461 C TRP A 151 58.365 25.103 55.137 1.00 44.73 C ATOM 1462 O TRP A 151 57.322 25.402 54.542 1.00 40.23 O ATOM 1463 CB TRP A 151 59.714 23.408 53.881 1.00 47.85 C ATOM 1464 CG TRP A 151 58.614 23.119 52.930 1.00 50.41 C ATOM 1465 CD1 TRP A 151 57.519 22.338 53.146 1.00 48.97 C ATOM 1466 CD2 TRP A 151 58.466 23.663 51.616 1.00 54.30 C ATOM 1467 NE1 TRP A 151 56.708 22.339 52.032 1.00 51.03 N ATOM 1468 CE2 TRP A 151 57.269 23.146 51.079 1.00 46.65 C ATOM 1469 CE3 TRP A 151 59.234 24.533 50.836 1.00 61.23 C ATOM 1470 CZ2 TRP A 151 56.821 23.470 49.803 1.00 51.59 C ATOM 1471 CZ3 TRP A 151 58.786 24.852 49.563 1.00 61.44 C ATOM 1472 CH2 TRP A 151 57.591 24.320 49.061 1.00 55.10 C ATOM 1473 HE1 TRP A 151 55.816 21.813 51.932 1.00 0.00 H ATOM 1474 H TRP A 151 61.428 24.428 55.557 1.00 0.00 H ATOM 1475 N THR A 152 58.412 25.005 56.461 1.00 43.15 N ATOM 1476 CA THR A 152 57.173 24.960 57.219 1.00 49.20 C ATOM 1477 C THR A 152 57.136 25.963 58.366 1.00 42.49 C ATOM 1478 O THR A 152 56.071 26.497 58.695 1.00 41.80 O ATOM 1479 CB THR A 152 56.954 23.542 57.752 1.00 60.97 C ATOM 1480 OG1 THR A 152 55.802 23.526 58.595 1.00 74.71 O ATOM 1481 CG2 THR A 152 58.166 23.065 58.557 1.00 51.96 C ATOM 1482 HG1 THR A 152 55.941 24.147 59.353 1.00 0.00 H ATOM 1483 H THR A 152 59.328 24.961 56.951 1.00 0.00 H ATOM 1484 N TYR A 153 58.283 26.239 58.969 1.00 36.48 N ATOM 1485 CA TYR A 153 58.327 27.032 60.190 1.00 33.56 C ATOM 1486 C TYR A 153 58.458 28.523 59.898 1.00 41.50 C ATOM 1487 O TYR A 153 59.185 28.937 58.990 1.00 46.37 O ATOM 1488 CB TYR A 153 59.488 26.578 61.067 1.00 34.21 C ATOM 1489 CG TYR A 153 59.388 25.150 61.570 1.00 43.09 C ATOM 1490 CD1 TYR A 153 58.586 24.823 62.658 1.00 46.69 C ATOM 1491 CD2 TYR A 153 60.129 24.141 60.982 1.00 47.64 C ATOM 1492 CE1 TYR A 153 58.512 23.521 63.133 1.00 42.96 C ATOM 1493 CE2 TYR A 153 60.065 22.835 61.442 1.00 51.15 C ATOM 1494 CZ TYR A 153 59.257 22.521 62.518 1.00 46.80 C ATOM 1495 OH TYR A 153 59.203 21.211 62.977 1.00 53.43 O ATOM 1496 HH TYR A 153 58.583 21.158 63.747 1.00 0.00 H ATOM 1497 H TYR A 153 59.171 25.882 58.562 1.00 0.00 H ATOM 1498 N ASN A 154 57.754 29.328 60.680 1.00 33.65 N ATOM 1499 CA ASN A 154 57.949 30.761 60.636 1.00 32.57 C ATOM 1500 C ASN A 154 59.099 31.136 61.557 1.00 39.19 C ATOM 1501 O ASN A 154 59.650 30.298 62.279 1.00 36.02 O ATOM 1502 CB ASN A 154 56.661 31.505 61.001 1.00 26.25 C ATOM 1503 CG ASN A 154 56.298 31.411 62.479 1.00 33.01 C ATOM 1504 OD1 ASN A 154 57.126 31.640 63.383 1.00 33.97 O ATOM 1505 ND2 ASN A 154 55.038 31.084 62.732 1.00 28.40 N ATOM 1506 HD22 ASN A 154 54.381 30.901 61.947 1.00 0.00 H ATOM 1507 HD21 ASN A 154 54.707 31.010 63.715 1.00 0.00 H ATOM 1508 H ASN A 154 57.053 28.925 61.334 1.00 0.00 H ATOM 1509 N GLY A 155 59.452 32.424 61.526 1.00 34.08 N ATOM 1510 CA GLY A 155 60.633 32.928 62.206 1.00 25.24 C ATOM 1511 C GLY A 155 60.527 32.950 63.716 1.00 35.49 C ATOM 1512 O GLY A 155 61.553 33.041 64.396 1.00 34.56 O ATOM 1513 H GLY A 155 58.858 33.092 60.994 1.00 0.00 H ATOM 1514 N ASN A 156 59.316 32.881 64.261 1.00 25.69 N ATOM 1515 CA ASN A 156 59.180 32.721 65.702 1.00 29.61 C ATOM 1516 C ASN A 156 59.477 31.300 66.152 1.00 36.45 C ATOM 1517 O ASN A 156 59.763 31.088 67.331 1.00 41.63 O ATOM 1518 CB ASN A 156 57.776 33.129 66.157 1.00 32.10 C ATOM 1519 CG ASN A 156 57.545 34.630 66.018 1.00 38.68 C ATOM 1520 OD1 ASN A 156 58.502 35.405 66.009 1.00 37.63 O ATOM 1521 ND2 ASN A 156 56.289 35.040 65.887 1.00 32.11 N ATOM 1522 HD22 ASN A 156 55.512 34.349 65.901 1.00 0.00 H ATOM 1523 HD21 ASN A 156 56.082 36.053 65.771 1.00 0.00 H ATOM 1524 H ASN A 156 58.469 32.941 63.660 1.00 0.00 H ATOM 1525 N GLN A 157 59.441 30.337 65.235 1.00 34.27 N ATOM 1526 CA GLN A 157 59.713 28.935 65.525 1.00 37.37 C ATOM 1527 C GLN A 157 61.139 28.535 65.169 1.00 35.48 C ATOM 1528 O GLN A 157 61.866 28.018 66.017 1.00 44.76 O ATOM 1529 CB GLN A 157 58.708 28.057 64.766 1.00 34.87 C ATOM 1530 CG GLN A 157 57.275 28.230 65.251 1.00 26.83 C ATOM 1531 CD GLN A 157 56.245 27.874 64.189 1.00 41.87 C ATOM 1532 OE1 GLN A 157 56.515 27.906 62.980 1.00 33.82 O ATOM 1533 NE2 GLN A 157 55.056 27.528 64.639 1.00 44.76 N ATOM 1534 HE22 GLN A 157 54.871 27.514 65.662 1.00 0.00 H ATOM 1535 HE21 GLN A 157 54.302 27.269 63.971 1.00 0.00 H ATOM 1536 H GLN A 157 59.206 30.599 64.257 1.00 0.00 H ATOM 1537 N VAL A 158 61.544 28.771 63.919 1.00 32.52 N ATOM 1538 CA VAL A 158 62.902 28.548 63.435 1.00 29.97 C ATOM 1539 C VAL A 158 63.378 29.842 62.782 1.00 38.77 C ATOM 1540 O VAL A 158 62.792 30.285 61.783 1.00 33.79 O ATOM 1541 CB VAL A 158 62.970 27.381 62.428 1.00 34.37 C ATOM 1542 CG1 VAL A 158 64.362 27.275 61.809 1.00 25.47 C ATOM 1543 CG2 VAL A 158 62.576 26.069 63.085 1.00 32.76 C ATOM 1544 H VAL A 158 60.843 29.139 63.244 1.00 0.00 H ATOM 1545 N ASP A 159 64.448 30.415 63.338 1.00 30.99 N ATOM 1546 CA ASP A 159 65.076 31.661 62.823 1.00 34.97 C ATOM 1547 C ASP A 159 66.433 31.275 62.223 1.00 36.23 C ATOM 1548 O ASP A 159 67.185 30.561 62.896 1.00 40.08 O ATOM 1549 CB ASP A 159 65.178 32.723 63.921 1.00 27.00 C ATOM 1550 CG ASP A 159 65.411 34.130 63.399 1.00 41.12 C ATOM 1551 OD1 ASP A 159 65.448 34.299 62.174 1.00 35.21 O ATOM 1552 OD2 ASP A 159 65.545 35.044 64.225 1.00 30.69 O ATOM 1553 H ASP A 159 64.865 29.965 64.178 1.00 0.00 H ATOM 1554 N ILE A 160 66.729 31.747 61.011 1.00 32.91 N ATOM 1555 CA ILE A 160 67.987 31.369 60.301 1.00 30.09 C ATOM 1556 C ILE A 160 68.967 32.548 60.264 1.00 37.35 C ATOM 1557 O ILE A 160 68.538 33.671 59.975 1.00 38.27 O ATOM 1558 CB ILE A 160 67.681 30.810 58.898 1.00 39.53 C ATOM 1559 CG1 ILE A 160 68.955 30.604 58.076 1.00 45.49 C ATOM 1560 CG2 ILE A 160 66.679 31.690 58.172 1.00 48.49 C ATOM 1561 CD1 ILE A 160 68.717 29.970 56.733 1.00 47.54 C ATOM 1562 H ILE A 160 66.064 32.398 60.547 1.00 0.00 H ATOM 1563 N PHE A 161 70.241 32.269 60.549 1.00 30.52 N ATOM 1564 CA PHE A 161 71.313 33.295 60.566 1.00 27.30 C ATOM 1565 C PHE A 161 72.487 32.845 59.694 1.00 35.38 C ATOM 1566 O PHE A 161 72.799 31.648 59.653 1.00 40.91 O ATOM 1567 CB PHE A 161 71.795 33.519 62.000 1.00 25.38 C ATOM 1568 CG PHE A 161 70.736 34.038 62.935 1.00 31.12 C ATOM 1569 CD1 PHE A 161 69.816 33.181 63.509 1.00 28.09 C ATOM 1570 CD2 PHE A 161 70.649 35.387 63.223 1.00 24.93 C ATOM 1571 CE1 PHE A 161 68.835 33.660 64.359 1.00 35.99 C ATOM 1572 CE2 PHE A 161 69.670 35.864 64.077 1.00 38.76 C ATOM 1573 CZ PHE A 161 68.765 35.001 64.642 1.00 35.54 C ATOM 1574 H PHE A 161 70.495 31.285 60.770 1.00 0.00 H ATOM 1575 N ASN A 162 73.130 33.803 59.032 1.00 32.73 N ATOM 1576 CA ASN A 162 74.316 33.508 58.193 1.00 35.23 C ATOM 1577 C ASN A 162 75.525 33.283 59.101 1.00 37.87 C ATOM 1578 O ASN A 162 75.754 34.123 59.981 1.00 49.34 O ATOM 1579 CB ASN A 162 74.667 34.702 57.307 1.00 45.29 C ATOM 1580 CG ASN A 162 73.808 34.790 56.069 1.00 51.29 C ATOM 1581 OD1 ASN A 162 73.830 33.892 55.237 1.00 58.98 O ATOM 1582 ND2 ASN A 162 73.058 35.869 55.938 1.00 49.26 N ATOM 1583 HD22 ASN A 162 73.073 36.605 56.672 1.00 0.00 H ATOM 1584 HD21 ASN A 162 72.452 35.982 55.100 1.00 0.00 H ATOM 1585 H ASN A 162 72.792 34.784 59.105 1.00 0.00 H ATOM 1586 N ALA A 163 76.233 32.170 58.907 1.00 33.91 N ATOM 1587 CA ALA A 163 77.463 31.868 59.674 1.00 35.50 C ATOM 1588 C ALA A 163 78.568 32.868 59.309 1.00 41.40 C ATOM 1589 O ALA A 163 79.256 33.350 60.219 1.00 40.43 O ATOM 1590 CB ALA A 163 77.898 30.454 59.389 1.00 37.71 C ATOM 1591 H ALA A 163 75.909 31.489 58.191 1.00 0.00 H ATOM 1592 N LEU A 164 78.683 33.195 58.020 1.00 45.20 N ATOM 1593 CA LEU A 164 79.756 34.088 57.509 1.00 42.28 C ATOM 1594 C LEU A 164 79.154 35.176 56.616 1.00 45.96 C ATOM 1595 O LEU A 164 77.967 35.082 56.282 1.00 46.55 O ATOM 1596 CB LEU A 164 80.770 33.265 56.710 1.00 45.25 C ATOM 1597 CG LEU A 164 81.250 31.961 57.345 1.00 54.59 C ATOM 1598 CD1 LEU A 164 81.679 30.973 56.273 1.00 53.28 C ATOM 1599 CD2 LEU A 164 82.389 32.212 58.317 1.00 44.23 C ATOM 1600 H LEU A 164 77.993 32.809 57.345 1.00 0.00 H ATOM 1601 N ASP A 165 79.960 36.185 56.290 1.00 41.55 N ATOM 1602 CA ASP A 165 79.548 37.318 55.424 1.00 45.33 C ATOM 1603 C ASP A 165 79.227 36.807 54.019 1.00 46.74 C ATOM 1604 O ASP A 165 78.538 37.527 53.282 1.00 42.95 O ATOM 1605 CB ASP A 165 80.662 38.357 55.287 1.00 52.08 C ATOM 1606 CG ASP A 165 80.931 39.157 56.545 1.00 55.62 C ATOM 1607 OD1 ASP A 165 80.025 39.250 57.384 1.00 47.21 O ATOM 1608 OD2 ASP A 165 82.051 39.677 56.667 1.00 68.73 O ATOM 1609 H ASP A 165 80.931 36.179 56.663 1.00 0.00 H ATOM 1610 N SER A 166 79.778 35.652 53.643 1.00 36.76 N ATOM 1611 CA SER A 166 79.594 35.163 52.286 1.00 48.99 C ATOM 1612 C SER A 166 79.743 33.656 52.298 1.00 42.55 C ATOM 1613 O SER A 166 80.171 33.059 53.288 1.00 39.53 O ATOM 1614 CB SER A 166 80.595 35.798 51.312 1.00 54.30 C ATOM 1615 OG SER A 166 81.918 35.644 51.779 1.00 57.24 O ATOM 1616 HG SER A 166 82.544 36.061 51.136 1.00 0.00 H ATOM 1617 H SER A 166 80.340 35.100 54.322 1.00 0.00 H ATOM 1618 N GLY A 167 79.367 33.047 51.181 1.00 47.65 N ATOM 1619 CA GLY A 167 79.648 31.643 50.999 1.00 52.77 C ATOM 1620 C GLY A 167 81.128 31.347 51.129 1.00 45.22 C ATOM 1621 O GLY A 167 81.985 32.216 51.006 1.00 44.02 O ATOM 1622 H GLY A 167 78.871 33.580 50.438 1.00 0.00 H ATOM 1623 N ASP A 168 81.413 30.081 51.390 1.00 52.31 N ATOM 1624 CA ASP A 168 82.770 29.586 51.558 1.00 47.93 C ATOM 1625 C ASP A 168 83.310 29.137 50.198 1.00 47.90 C ATOM 1626 O ASP A 168 82.787 28.191 49.600 1.00 42.70 O ATOM 1627 CB ASP A 168 82.737 28.436 52.563 1.00 55.25 C ATOM 1628 CG ASP A 168 84.110 27.913 52.919 1.00 60.34 C ATOM 1629 OD1 ASP A 168 85.117 28.473 52.438 1.00 55.64 O ATOM 1630 OD2 ASP A 168 84.168 26.933 53.696 1.00 72.69 O ATOM 1631 H ASP A 168 80.627 29.406 51.479 1.00 0.00 H ATOM 1632 N LEU A 169 84.330 29.834 49.694 1.00 49.77 N ATOM 1633 CA LEU A 169 84.931 29.506 48.404 1.00 51.18 C ATOM 1634 C LEU A 169 86.363 29.005 48.563 1.00 58.03 C ATOM 1635 O LEU A 169 87.143 29.048 47.609 1.00 59.77 O ATOM 1636 CB LEU A 169 84.886 30.710 47.454 1.00 45.26 C ATOM 1637 CG LEU A 169 83.604 31.569 47.407 1.00 51.43 C ATOM 1638 CD1 LEU A 169 83.855 32.959 46.792 1.00 41.63 C ATOM 1639 CD2 LEU A 169 82.455 30.880 46.663 1.00 46.34 C ATOM 1640 H LEU A 169 84.709 30.636 50.237 1.00 0.00 H ATOM 1641 N SER A 170 86.724 28.510 49.749 1.00 65.17 N ATOM 1642 CA SER A 170 88.082 28.014 49.964 1.00 73.79 C ATOM 1643 C SER A 170 88.331 26.653 49.310 1.00 68.07 C ATOM 1644 O SER A 170 89.493 26.280 49.109 1.00 74.01 O ATOM 1645 CB SER A 170 88.376 27.930 51.463 1.00 74.18 C ATOM 1646 OG SER A 170 87.697 26.830 52.045 1.00 77.17 O ATOM 1647 HG SER A 170 87.997 25.992 51.612 1.00 0.00 H ATOM 1648 H SER A 170 86.034 28.477 50.526 1.00 0.00 H ATOM 1649 N ASP A 171 87.278 25.903 48.973 1.00 64.80 N ATOM 1650 CA ASP A 171 87.409 24.580 48.362 1.00 69.35 C ATOM 1651 C ASP A 171 86.798 24.526 46.964 1.00 65.44 C ATOM 1652 O ASP A 171 86.384 23.461 46.502 1.00 64.48 O ATOM 1653 CB ASP A 171 86.780 23.521 49.265 1.00 74.66 C ATOM 1654 CG ASP A 171 87.413 23.493 50.648 1.00 90.38 C ATOM 1655 OD1 ASP A 171 88.483 22.866 50.809 1.00 98.84 O ATOM 1656 OD2 ASP A 171 86.858 24.130 51.570 1.00 99.00 O ATOM 1657 H ASP A 171 86.324 26.276 49.153 1.00 0.00 H ATOM 1658 N PHE A 172 86.643 25.704 46.357 1.00 67.88 N ATOM 1659 CA PHE A 172 86.003 25.830 45.023 1.00 59.29 C ATOM 1660 C PHE A 172 86.913 25.297 43.914 1.00 63.17 C ATOM 1661 O PHE A 172 88.125 25.577 43.926 1.00 62.21 O ATOM 1662 CB PHE A 172 85.632 27.290 44.756 1.00 50.77 C ATOM 1663 CG PHE A 172 84.986 27.534 43.417 1.00 53.65 C ATOM 1664 CD1 PHE A 172 83.814 26.885 43.067 1.00 59.75 C ATOM 1665 CD2 PHE A 172 85.545 28.415 42.508 1.00 53.12 C ATOM 1666 CE1 PHE A 172 83.218 27.109 41.837 1.00 59.91 C ATOM 1667 CE2 PHE A 172 84.949 28.639 41.278 1.00 61.42 C ATOM 1668 CZ PHE A 172 83.786 27.986 40.945 1.00 63.77 C ATOM 1669 H PHE A 172 86.982 26.563 46.835 1.00 0.00 H ATOM 1670 N ILE A 173 86.310 24.593 42.953 1.00 74.08 N ATOM 1671 CA ILE A 173 87.041 24.084 41.757 1.00 79.83 C ATOM 1672 C ILE A 173 86.771 25.114 40.659 1.00 80.85 C ATOM 1673 O ILE A 173 85.591 25.326 40.336 1.00101.09 O ATOM 1674 CB ILE A 173 86.535 22.684 41.359 1.00 84.49 C ATOM 1675 CG1 ILE A 173 86.657 21.687 42.514 1.00 90.51 C ATOM 1676 CG2 ILE A 173 87.246 22.189 40.110 1.00 84.76 C ATOM 1677 CD1 ILE A 173 88.052 21.571 43.081 1.00 91.07 C ATOM 1678 H ILE A 173 85.293 24.392 43.042 1.00 0.00 H ATOM 1679 N GLU A 174 87.823 25.712 40.099 1.00 67.40 N ATOM 1680 CA GLU A 174 87.629 26.790 39.096 1.00 65.30 C ATOM 1681 C GLU A 174 86.883 26.245 37.876 1.00 59.54 C ATOM 1682 O GLU A 174 87.264 25.173 37.378 1.00 49.71 O ATOM 1683 CB GLU A 174 88.987 27.364 38.690 1.00 65.13 C ATOM 1684 CG GLU A 174 88.963 28.866 38.487 1.00 70.12 C ATOM 1685 CD GLU A 174 88.790 29.651 39.774 1.00 71.80 C ATOM 1686 OE1 GLU A 174 89.364 29.234 40.795 1.00 76.45 O ATOM 1687 OE2 GLU A 174 88.078 30.671 39.752 1.00 67.32 O ATOM 1688 H GLU A 174 88.785 25.422 40.366 1.00 0.00 H ATOM 1689 N ASP A 175 85.860 26.975 37.421 1.00 57.74 N ATOM 1690 CA ASP A 175 85.092 26.590 36.208 1.00 59.22 C ATOM 1691 C ASP A 175 85.894 27.031 34.981 1.00 66.18 C ATOM 1692 O ASP A 175 86.707 27.962 35.124 1.00 66.20 O ATOM 1693 CB ASP A 175 83.681 27.181 36.206 1.00 53.17 C ATOM 1694 CG ASP A 175 82.833 26.693 35.045 1.00 61.57 C ATOM 1695 OD1 ASP A 175 82.519 25.489 35.018 1.00 74.62 O ATOM 1696 OD2 ASP A 175 82.505 27.518 34.174 1.00 58.90 O ATOM 1697 H ASP A 175 85.593 27.840 37.932 1.00 0.00 H ATOM 1698 N VAL A 176 85.688 26.384 33.831 1.00 60.33 N ATOM 1699 CA VAL A 176 86.442 26.767 32.638 1.00 59.33 C ATOM 1700 C VAL A 176 86.029 28.149 32.153 1.00 61.91 C ATOM 1701 O VAL A 176 86.876 29.013 31.901 1.00 66.85 O ATOM 1702 CB VAL A 176 86.268 25.726 31.519 1.00 62.33 C ATOM 1703 CG1 VAL A 176 87.011 26.204 30.278 1.00 64.94 C ATOM 1704 CG2 VAL A 176 86.741 24.329 31.973 1.00 59.78 C ATOM 1705 H VAL A 176 84.994 25.611 33.784 1.00 0.00 H ATOM 1706 N GLU A 177 84.723 28.371 31.977 1.00 58.58 N ATOM 1707 CA GLU A 177 84.254 29.591 31.323 1.00 56.77 C ATOM 1708 C GLU A 177 83.911 30.719 32.285 1.00 53.16 C ATOM 1709 O GLU A 177 83.905 31.877 31.867 1.00 55.75 O ATOM 1710 CB GLU A 177 83.020 29.311 30.462 1.00 57.76 C ATOM 1711 CG GLU A 177 83.322 29.257 28.970 1.00 75.31 C ATOM 1712 CD GLU A 177 82.102 29.564 28.135 1.00 87.96 C ATOM 1713 OE1 GLU A 177 80.978 29.300 28.619 1.00 90.72 O ATOM 1714 OE2 GLU A 177 82.267 30.079 27.006 1.00 92.93 O ATOM 1715 H GLU A 177 84.033 27.668 32.309 1.00 0.00 H ATOM 1716 N TRP A 178 83.650 30.417 33.554 1.00 53.83 N ATOM 1717 CA TRP A 178 83.097 31.375 34.500 1.00 44.61 C ATOM 1718 C TRP A 178 84.057 31.611 35.657 1.00 48.80 C ATOM 1719 O TRP A 178 84.569 30.658 36.256 1.00 50.95 O ATOM 1720 CB TRP A 178 81.739 30.873 35.011 1.00 34.91 C ATOM 1721 CG TRP A 178 80.699 30.968 33.952 1.00 42.53 C ATOM 1722 CD1 TRP A 178 80.142 29.936 33.244 1.00 40.82 C ATOM 1723 CD2 TRP A 178 80.118 32.178 33.427 1.00 45.40 C ATOM 1724 NE1 TRP A 178 79.238 30.429 32.325 1.00 52.96 N ATOM 1725 CE2 TRP A 178 79.206 31.800 32.420 1.00 53.15 C ATOM 1726 CE3 TRP A 178 80.283 33.537 33.714 1.00 41.79 C ATOM 1727 CZ2 TRP A 178 78.457 32.734 31.707 1.00 42.60 C ATOM 1728 CZ3 TRP A 178 79.534 34.463 33.009 1.00 42.16 C ATOM 1729 CH2 TRP A 178 78.639 34.059 32.017 1.00 45.63 C ATOM 1730 HE1 TRP A 178 78.672 29.856 31.667 1.00 0.00 H ATOM 1731 H TRP A 178 83.850 29.452 33.885 1.00 0.00 H ATOM 1732 N GLU A 179 84.292 32.879 35.970 1.00 49.64 N ATOM 1733 CA GLU A 179 85.019 33.262 37.172 1.00 56.77 C ATOM 1734 C GLU A 179 84.039 33.685 38.256 1.00 54.55 C ATOM 1735 O GLU A 179 83.042 34.366 37.975 1.00 48.28 O ATOM 1736 CB GLU A 179 85.980 34.409 36.887 1.00 75.60 C ATOM 1737 CG GLU A 179 87.426 34.003 36.750 1.00 90.67 C ATOM 1738 CD GLU A 179 88.324 35.205 36.542 1.00 95.30 C ATOM 1739 OE1 GLU A 179 87.853 36.193 35.932 1.00 96.39 O ATOM 1740 OE2 GLU A 179 89.487 35.171 37.001 1.00 95.13 O ATOM 1741 H GLU A 179 83.945 33.625 35.334 1.00 0.00 H ATOM 1742 N VAL A 180 84.336 33.294 39.494 1.00 43.78 N ATOM 1743 CA VAL A 180 83.513 33.648 40.646 1.00 44.56 C ATOM 1744 C VAL A 180 84.045 34.951 41.231 1.00 53.93 C ATOM 1745 O VAL A 180 85.155 34.997 41.765 1.00 55.33 O ATOM 1746 CB VAL A 180 83.492 32.532 41.699 1.00 47.30 C ATOM 1747 CG1 VAL A 180 82.870 33.046 42.975 1.00 45.29 C ATOM 1748 CG2 VAL A 180 82.720 31.316 41.190 1.00 43.93 C ATOM 1749 H VAL A 180 85.186 32.715 39.645 1.00 0.00 H ATOM 1750 N HIS A 181 83.237 36.007 41.133 1.00 59.99 N ATOM 1751 CA HIS A 181 83.601 37.350 41.579 1.00 66.98 C ATOM 1752 C HIS A 181 83.289 37.551 43.060 1.00 60.61 C ATOM 1753 O HIS A 181 83.943 38.352 43.732 1.00 56.66 O ATOM 1754 CB HIS A 181 82.859 38.364 40.695 1.00 74.00 C ATOM 1755 CG HIS A 181 83.156 39.801 40.986 1.00 83.60 C ATOM 1756 ND1 HIS A 181 84.354 40.394 40.657 1.00 91.33 N ATOM 1757 CD2 HIS A 181 82.386 40.779 41.522 1.00 86.36 C ATOM 1758 CE1 HIS A 181 84.322 41.670 41.004 1.00 92.57 C ATOM 1759 NE2 HIS A 181 83.138 41.929 41.532 1.00 88.07 N ATOM 1760 H HIS A 181 82.295 35.867 40.716 1.00 0.00 H ATOM 1761 N GLY A 182 82.305 36.835 43.579 1.00 58.62 N ATOM 1762 CA GLY A 182 82.049 36.828 45.008 1.00 46.30 C ATOM 1763 C GLY A 182 80.806 36.020 45.293 1.00 46.33 C ATOM 1764 O GLY A 182 80.071 35.613 44.384 1.00 45.09 O ATOM 1765 H GLY A 182 81.703 36.266 42.951 1.00 0.00 H ATOM 1766 N MET A 183 80.557 35.801 46.576 1.00 48.57 N ATOM 1767 CA MET A 183 79.318 35.152 47.000 1.00 43.91 C ATOM 1768 C MET A 183 78.808 35.787 48.296 1.00 45.14 C ATOM 1769 O MET A 183 78.628 35.111 49.316 1.00 43.45 O ATOM 1770 CB MET A 183 79.550 33.651 47.154 1.00 43.02 C ATOM 1771 CG MET A 183 78.303 32.811 47.135 1.00 45.33 C ATOM 1772 SD MET A 183 78.697 31.059 47.310 1.00 52.38 S ATOM 1773 CE MET A 183 77.075 30.311 47.183 1.00 28.67 C ATOM 1774 H MET A 183 81.253 36.095 47.291 1.00 0.00 H ATOM 1775 N PRO A 184 78.527 37.092 48.283 1.00 45.36 N ATOM 1776 CA PRO A 184 78.065 37.731 49.520 1.00 38.21 C ATOM 1777 C PRO A 184 76.726 37.153 49.941 1.00 41.61 C ATOM 1778 O PRO A 184 75.873 36.839 49.105 1.00 40.51 O ATOM 1779 CB PRO A 184 77.938 39.205 49.133 1.00 29.98 C ATOM 1780 CG PRO A 184 77.605 39.171 47.655 1.00 35.68 C ATOM 1781 CD PRO A 184 78.442 38.009 47.128 1.00 38.68 C ATOM 1782 N ALA A 185 76.529 37.052 51.254 1.00 38.86 N ATOM 1783 CA ALA A 185 75.271 36.566 51.805 1.00 38.22 C ATOM 1784 C ALA A 185 74.538 37.686 52.521 1.00 34.58 C ATOM 1785 O ALA A 185 75.155 38.605 53.055 1.00 35.80 O ATOM 1786 CB ALA A 185 75.491 35.410 52.787 1.00 37.08 C ATOM 1787 H ALA A 185 77.293 37.327 51.903 1.00 0.00 H ATOM 1788 N VAL A 186 73.208 37.603 52.522 1.00 36.13 N ATOM 1789 CA VAL A 186 72.364 38.502 53.298 1.00 34.79 C ATOM 1790 C VAL A 186 71.227 37.694 53.911 1.00 38.34 C ATOM 1791 O VAL A 186 70.882 36.605 53.449 1.00 38.02 O ATOM 1792 CB VAL A 186 71.771 39.671 52.467 1.00 36.90 C ATOM 1793 CG1 VAL A 186 72.843 40.398 51.701 1.00 33.24 C ATOM 1794 CG2 VAL A 186 70.698 39.169 51.527 1.00 43.72 C ATOM 1795 H VAL A 186 72.754 36.866 51.945 1.00 0.00 H ATOM 1796 N LYS A 187 70.633 38.258 54.951 1.00 29.05 N ATOM 1797 CA LYS A 187 69.433 37.730 55.564 1.00 34.51 C ATOM 1798 C LYS A 187 68.275 38.686 55.300 1.00 38.24 C ATOM 1799 O LYS A 187 68.416 39.900 55.474 1.00 39.80 O ATOM 1800 CB LYS A 187 69.627 37.531 57.066 1.00 27.65 C ATOM 1801 CG LYS A 187 68.395 36.912 57.720 1.00 34.66 C ATOM 1802 CD LYS A 187 68.483 36.953 59.232 1.00 33.90 C ATOM 1803 CE LYS A 187 67.270 36.297 59.860 1.00 28.88 C ATOM 1804 NZ LYS A 187 67.507 36.162 61.308 1.00 34.79 N ATOM 1805 HZ1 LYS A 187 68.350 35.575 61.467 1.00 0.00 H ATOM 1806 HZ2 LYS A 187 67.656 37.104 61.723 1.00 0.00 H ATOM 1807 HZ3 LYS A 187 66.681 35.713 61.753 1.00 0.00 H ATOM 1808 H LYS A 187 71.050 39.124 55.348 1.00 0.00 H ATOM 1809 N ASN A 188 67.139 38.137 54.871 1.00 31.48 N ATOM 1810 CA ASN A 188 65.901 38.881 54.686 1.00 30.18 C ATOM 1811 C ASN A 188 64.837 38.324 55.624 1.00 33.74 C ATOM 1812 O ASN A 188 64.653 37.108 55.708 1.00 34.61 O ATOM 1813 CB ASN A 188 65.409 38.792 53.238 1.00 35.80 C ATOM 1814 CG ASN A 188 66.499 39.112 52.213 1.00 54.18 C ATOM 1815 OD1 ASN A 188 66.772 40.286 51.923 1.00 53.90 O ATOM 1816 ND2 ASN A 188 67.105 38.067 51.636 1.00 39.98 N ATOM 1817 HD22 ASN A 188 66.844 37.098 51.910 1.00 0.00 H ATOM 1818 HD21 ASN A 188 67.837 38.224 50.914 1.00 0.00 H ATOM 1819 H ASN A 188 67.137 37.119 54.656 1.00 0.00 H ATOM 1820 N VAL A 189 64.149 39.227 56.320 1.00 31.49 N ATOM 1821 CA VAL A 189 62.997 38.837 57.178 1.00 23.80 C ATOM 1822 C VAL A 189 61.783 39.543 56.573 1.00 35.86 C ATOM 1823 O VAL A 189 61.811 40.774 56.473 1.00 42.76 O ATOM 1824 CB VAL A 189 63.216 39.208 58.653 1.00 24.02 C ATOM 1825 CG1 VAL A 189 62.018 38.825 59.504 1.00 24.33 C ATOM 1826 CG2 VAL A 189 64.481 38.570 59.201 1.00 28.95 C ATOM 1827 H VAL A 189 64.423 40.229 56.263 1.00 0.00 H ATOM 1828 N ILE A 190 60.754 38.784 56.207 1.00 34.50 N ATOM 1829 CA ILE A 190 59.565 39.370 55.529 1.00 24.66 C ATOM 1830 C ILE A 190 58.337 39.222 56.424 1.00 31.24 C ATOM 1831 O ILE A 190 58.130 38.131 56.964 1.00 36.66 O ATOM 1832 CB ILE A 190 59.341 38.676 54.173 1.00 37.33 C ATOM 1833 CG1 ILE A 190 60.631 38.608 53.353 1.00 46.35 C ATOM 1834 CG2 ILE A 190 58.211 39.340 53.404 1.00 47.52 C ATOM 1835 CD1 ILE A 190 60.592 37.611 52.222 1.00 48.63 C ATOM 1836 H ILE A 190 60.780 37.762 56.398 1.00 0.00 H ATOM 1837 N SER A 191 57.586 40.310 56.590 1.00 27.89 N ATOM 1838 CA SER A 191 56.310 40.290 57.347 1.00 28.05 C ATOM 1839 C SER A 191 55.216 40.831 56.421 1.00 31.82 C ATOM 1840 O SER A 191 55.428 41.889 55.819 1.00 34.44 O ATOM 1841 CB SER A 191 56.409 41.033 58.652 1.00 32.38 C ATOM 1842 OG SER A 191 56.978 42.315 58.472 1.00 55.04 O ATOM 1843 HG SER A 191 57.888 42.221 58.093 1.00 0.00 H ATOM 1844 H SER A 191 57.906 41.207 56.173 1.00 0.00 H ATOM 1845 N TYR A 192 54.093 40.120 56.324 1.00 29.81 N ATOM 1846 CA TYR A 192 53.008 40.485 55.429 1.00 31.77 C ATOM 1847 C TYR A 192 51.972 41.281 56.195 1.00 32.80 C ATOM 1848 O TYR A 192 51.648 40.948 57.334 1.00 36.55 O ATOM 1849 CB TYR A 192 52.366 39.237 54.826 1.00 31.11 C ATOM 1850 CG TYR A 192 53.350 38.333 54.101 1.00 27.80 C ATOM 1851 CD1 TYR A 192 53.846 37.186 54.698 1.00 32.48 C ATOM 1852 CD2 TYR A 192 53.803 38.651 52.825 1.00 31.99 C ATOM 1853 CE1 TYR A 192 54.749 36.376 54.036 1.00 33.42 C ATOM 1854 CE2 TYR A 192 54.710 37.858 52.166 1.00 31.85 C ATOM 1855 CZ TYR A 192 55.160 36.707 52.773 1.00 37.31 C ATOM 1856 OH TYR A 192 56.045 35.904 52.114 1.00 41.07 O ATOM 1857 HH TYR A 192 56.267 35.124 52.682 1.00 0.00 H ATOM 1858 H TYR A 192 53.989 39.269 56.913 1.00 0.00 H ATOM 1859 N GLY A 193 51.483 42.355 55.576 1.00 38.37 N ATOM 1860 CA GLY A 193 50.485 43.206 56.181 1.00 36.27 C ATOM 1861 C GLY A 193 50.952 43.837 57.481 1.00 49.05 C ATOM 1862 O GLY A 193 52.149 44.037 57.727 1.00 57.27 O ATOM 1863 H GLY A 193 51.832 42.588 54.625 1.00 0.00 H ATOM 1864 N CYS A 194 49.981 44.157 58.339 1.00 62.57 N ATOM 1865 CA CYS A 194 50.301 44.837 59.592 1.00 73.35 C ATOM 1866 C CYS A 194 51.053 43.918 60.546 1.00 82.38 C ATOM 1867 O CYS A 194 52.061 44.318 61.140 1.00 87.25 O ATOM 1868 CB CYS A 194 49.025 45.363 60.271 1.00 74.14 C ATOM 1869 SG CYS A 194 47.871 44.093 60.956 1.00 94.04 S ATOM 1870 H CYS A 194 48.993 43.921 58.115 1.00 0.00 H ATOM 1871 N CYS A 195 50.590 42.666 60.677 1.00 85.17 N ATOM 1872 CA CYS A 195 50.737 41.902 61.909 1.00 80.14 C ATOM 1873 C CYS A 195 51.281 40.487 61.719 1.00 64.59 C ATOM 1874 O CYS A 195 51.479 39.774 62.713 1.00 58.18 O ATOM 1875 CB CYS A 195 49.373 41.851 62.623 1.00 83.57 C ATOM 1876 SG CYS A 195 48.544 43.488 62.814 1.00 93.31 S ATOM 1877 H CYS A 195 50.108 42.224 59.869 1.00 0.00 H ATOM 1878 N SER A 196 51.541 40.063 60.487 1.00 54.07 N ATOM 1879 CA SER A 196 52.091 38.739 60.271 1.00 62.44 C ATOM 1880 C SER A 196 53.341 38.522 61.128 1.00 69.40 C ATOM 1881 O SER A 196 54.097 39.454 61.420 1.00 78.07 O ATOM 1882 CB SER A 196 52.400 38.541 58.780 1.00 52.53 C ATOM 1883 OG SER A 196 53.764 38.216 58.534 1.00 42.97 O ATOM 1884 HG SER A 196 53.991 37.375 59.004 1.00 0.00 H ATOM 1885 H SER A 196 51.349 40.683 59.674 1.00 0.00 H ATOM 1886 N GLU A 197 53.522 37.241 61.438 1.00 47.16 N ATOM 1887 CA GLU A 197 54.729 36.707 62.100 1.00 39.90 C ATOM 1888 C GLU A 197 55.868 36.826 61.078 1.00 26.85 C ATOM 1889 O GLU A 197 55.596 36.977 59.872 1.00 27.73 O ATOM 1890 CB GLU A 197 54.478 35.254 62.506 1.00 51.54 C ATOM 1891 CG GLU A 197 53.791 34.431 61.427 1.00 60.78 C ATOM 1892 CD GLU A 197 52.352 34.803 61.100 1.00 66.47 C ATOM 1893 OE1 GLU A 197 51.703 35.450 61.940 1.00 69.25 O ATOM 1894 OE2 GLU A 197 51.884 34.449 60.003 1.00 55.09 O ATOM 1895 H GLU A 197 52.763 36.571 61.198 1.00 0.00 H ATOM 1896 N PRO A 198 57.146 36.820 61.491 1.00 30.59 N ATOM 1897 CA PRO A 198 58.260 37.008 60.546 1.00 25.37 C ATOM 1898 C PRO A 198 58.577 35.766 59.711 1.00 41.28 C ATOM 1899 O PRO A 198 58.405 34.627 60.157 1.00 45.66 O ATOM 1900 CB PRO A 198 59.432 37.338 61.479 1.00 25.18 C ATOM 1901 CG PRO A 198 59.129 36.550 62.721 1.00 25.36 C ATOM 1902 CD PRO A 198 57.624 36.578 62.869 1.00 26.25 C ATOM 1903 N TYR A 199 59.069 35.994 58.492 1.00 30.14 N ATOM 1904 CA TYR A 199 59.477 34.903 57.599 1.00 24.04 C ATOM 1905 C TYR A 199 60.887 35.127 57.067 1.00 33.18 C ATOM 1906 O TYR A 199 61.088 35.885 56.101 1.00 32.54 O ATOM 1907 CB TYR A 199 58.486 34.708 56.457 1.00 24.23 C ATOM 1908 CG TYR A 199 57.152 34.239 56.969 1.00 38.23 C ATOM 1909 CD1 TYR A 199 56.902 32.880 57.159 1.00 24.78 C ATOM 1910 CD2 TYR A 199 56.153 35.156 57.319 1.00 27.44 C ATOM 1911 CE1 TYR A 199 55.683 32.441 57.645 1.00 27.41 C ATOM 1912 CE2 TYR A 199 54.925 34.720 57.809 1.00 34.03 C ATOM 1913 CZ TYR A 199 54.708 33.361 57.972 1.00 36.50 C ATOM 1914 OH TYR A 199 53.518 32.914 58.460 1.00 37.18 O ATOM 1915 HH TYR A 199 53.371 33.290 59.364 1.00 0.00 H ATOM 1916 H TYR A 199 59.167 36.976 58.164 1.00 0.00 H ATOM 1917 N PRO A 200 61.886 34.497 57.676 1.00 26.14 N ATOM 1918 CA PRO A 200 63.279 34.757 57.315 1.00 22.97 C ATOM 1919 C PRO A 200 63.788 33.823 56.226 1.00 34.00 C ATOM 1920 O PRO A 200 63.327 32.695 56.067 1.00 43.12 O ATOM 1921 CB PRO A 200 64.019 34.471 58.628 1.00 27.28 C ATOM 1922 CG PRO A 200 63.205 33.316 59.217 1.00 23.75 C ATOM 1923 CD PRO A 200 61.760 33.617 58.858 1.00 23.34 C ATOM 1924 N ASP A 201 64.777 34.317 55.489 1.00 26.30 N ATOM 1925 CA ASP A 201 65.572 33.515 54.574 1.00 22.46 C ATOM 1926 C ASP A 201 66.972 34.106 54.535 1.00 35.08 C ATOM 1927 O ASP A 201 67.187 35.249 54.944 1.00 37.34 O ATOM 1928 CB ASP A 201 64.981 33.455 53.161 1.00 27.68 C ATOM 1929 CG ASP A 201 65.033 34.796 52.439 1.00 51.54 C ATOM 1930 OD1 ASP A 201 66.151 35.278 52.130 1.00 53.96 O ATOM 1931 OD2 ASP A 201 63.953 35.360 52.166 1.00 47.40 O ATOM 1932 H ASP A 201 64.994 35.331 55.571 1.00 0.00 H ATOM 1933 N VAL A 202 67.932 33.310 54.058 1.00 24.09 N ATOM 1934 CA VAL A 202 69.276 33.787 53.780 1.00 29.93 C ATOM 1935 C VAL A 202 69.559 33.587 52.296 1.00 40.08 C ATOM 1936 O VAL A 202 69.265 32.522 51.738 1.00 45.56 O ATOM 1937 CB VAL A 202 70.331 33.096 54.653 1.00 35.04 C ATOM 1938 CG1 VAL A 202 70.067 33.401 56.098 1.00 38.27 C ATOM 1939 CG2 VAL A 202 70.337 31.629 54.396 1.00 48.77 C ATOM 1940 H VAL A 202 67.709 32.310 53.879 1.00 0.00 H ATOM 1941 N THR A 203 70.093 34.621 51.653 1.00 34.74 N ATOM 1942 CA THR A 203 70.307 34.608 50.214 1.00 33.90 C ATOM 1943 C THR A 203 71.781 34.785 49.928 1.00 37.10 C ATOM 1944 O THR A 203 72.428 35.683 50.474 1.00 35.65 O ATOM 1945 CB THR A 203 69.495 35.694 49.503 1.00 35.57 C ATOM 1946 OG1 THR A 203 68.106 35.324 49.521 1.00 35.99 O ATOM 1947 CG2 THR A 203 69.973 35.857 48.049 1.00 32.84 C ATOM 1948 HG1 THR A 203 67.990 34.459 49.054 1.00 0.00 H ATOM 1949 H THR A 203 70.366 35.465 52.195 1.00 0.00 H ATOM 1950 N PHE A 204 72.312 33.897 49.110 1.00 39.97 N ATOM 1951 CA PHE A 204 73.673 33.996 48.633 1.00 42.22 C ATOM 1952 C PHE A 204 73.598 34.476 47.202 1.00 39.45 C ATOM 1953 O PHE A 204 72.764 34.002 46.429 1.00 51.35 O ATOM 1954 CB PHE A 204 74.390 32.651 48.760 1.00 37.95 C ATOM 1955 CG PHE A 204 74.551 32.215 50.179 1.00 38.64 C ATOM 1956 CD1 PHE A 204 73.495 31.614 50.864 1.00 38.55 C ATOM 1957 CD2 PHE A 204 75.737 32.457 50.855 1.00 37.07 C ATOM 1958 CE1 PHE A 204 73.641 31.227 52.189 1.00 40.70 C ATOM 1959 CE2 PHE A 204 75.879 32.082 52.179 1.00 41.72 C ATOM 1960 CZ PHE A 204 74.827 31.464 52.849 1.00 41.21 C ATOM 1961 H PHE A 204 71.729 33.095 48.796 1.00 0.00 H ATOM 1962 N THR A 205 74.409 35.456 46.874 1.00 37.32 N ATOM 1963 CA THR A 205 74.415 36.006 45.531 1.00 36.58 C ATOM 1964 C THR A 205 75.734 35.585 44.902 1.00 35.73 C ATOM 1965 O THR A 205 76.790 36.145 45.206 1.00 37.96 O ATOM 1966 CB THR A 205 74.232 37.517 45.533 1.00 41.22 C ATOM 1967 OG1 THR A 205 72.948 37.825 46.072 1.00 39.13 O ATOM 1968 CG2 THR A 205 74.280 38.025 44.111 1.00 47.59 C ATOM 1969 HG1 THR A 205 72.247 37.403 45.514 1.00 0.00 H ATOM 1970 H THR A 205 75.057 35.844 47.589 1.00 0.00 H ATOM 1971 N LEU A 206 75.665 34.569 44.059 1.00 33.18 N ATOM 1972 CA LEU A 206 76.829 34.139 43.304 1.00 47.46 C ATOM 1973 C LEU A 206 76.986 35.066 42.105 1.00 42.23 C ATOM 1974 O LEU A 206 76.093 35.156 41.256 1.00 44.85 O ATOM 1975 CB LEU A 206 76.686 32.680 42.872 1.00 43.27 C ATOM 1976 CG LEU A 206 78.003 32.097 42.388 1.00 45.82 C ATOM 1977 CD1 LEU A 206 79.103 32.388 43.390 1.00 47.08 C ATOM 1978 CD2 LEU A 206 77.826 30.596 42.203 1.00 56.75 C ATOM 1979 H LEU A 206 74.762 34.069 43.934 1.00 0.00 H ATOM 1980 N LEU A 207 78.102 35.771 42.055 1.00 42.36 N ATOM 1981 CA LEU A 207 78.410 36.706 40.983 1.00 42.89 C ATOM 1982 C LEU A 207 79.472 36.071 40.095 1.00 39.00 C ATOM 1983 O LEU A 207 80.611 35.871 40.529 1.00 48.82 O ATOM 1984 CB LEU A 207 78.888 38.036 41.558 1.00 49.37 C ATOM 1985 CG LEU A 207 77.907 38.631 42.567 1.00 56.23 C ATOM 1986 CD1 LEU A 207 78.586 39.687 43.454 1.00 51.23 C ATOM 1987 CD2 LEU A 207 76.690 39.207 41.829 1.00 56.82 C ATOM 1988 H LEU A 207 78.796 35.652 42.821 1.00 0.00 H ATOM 1989 N LEU A 208 79.100 35.753 38.859 1.00 37.96 N ATOM 1990 CA LEU A 208 80.010 35.157 37.893 1.00 41.40 C ATOM 1991 C LEU A 208 80.302 36.149 36.779 1.00 45.26 C ATOM 1992 O LEU A 208 79.378 36.764 36.234 1.00 52.31 O ATOM 1993 CB LEU A 208 79.416 33.871 37.308 1.00 44.66 C ATOM 1994 CG LEU A 208 78.823 32.857 38.287 1.00 39.18 C ATOM 1995 CD1 LEU A 208 78.245 31.685 37.499 1.00 41.42 C ATOM 1996 CD2 LEU A 208 79.916 32.387 39.212 1.00 42.18 C ATOM 1997 H LEU A 208 78.118 35.938 38.571 1.00 0.00 H ATOM 1998 N LYS A 209 81.580 36.288 36.434 1.00 53.21 N ATOM 1999 CA LYS A 209 82.016 37.017 35.249 1.00 60.80 C ATOM 2000 C LYS A 209 82.720 36.049 34.301 1.00 58.51 C ATOM 2001 O LYS A 209 83.432 35.137 34.743 1.00 49.14 O ATOM 2002 CB LYS A 209 82.944 38.179 35.634 1.00 55.99 C ATOM 2003 CG LYS A 209 84.174 37.727 36.404 1.00 67.74 C ATOM 2004 CD LYS A 209 84.778 38.826 37.266 1.00 70.25 C ATOM 2005 CE LYS A 209 85.879 38.252 38.162 1.00 73.53 C ATOM 2006 NZ LYS A 209 86.347 39.208 39.206 1.00 72.47 N ATOM 2007 HZ1 LYS A 209 86.727 40.061 38.748 1.00 0.00 H ATOM 2008 HZ2 LYS A 209 85.548 39.469 39.818 1.00 0.00 H ATOM 2009 HZ3 LYS A 209 87.091 38.759 39.777 1.00 0.00 H ATOM 2010 H LYS A 209 82.305 35.854 37.041 1.00 0.00 H ATOM 2011 N ARG A 210 82.509 36.222 32.998 1.00 59.04 N ATOM 2012 CA ARG A 210 83.063 35.251 32.066 1.00 61.22 C ATOM 2013 C ARG A 210 84.580 35.310 32.079 1.00 61.76 C ATOM 2014 O ARG A 210 85.178 36.386 32.060 1.00 56.98 O ATOM 2015 CB ARG A 210 82.562 35.452 30.639 1.00 64.40 C ATOM 2016 CG ARG A 210 82.816 34.180 29.801 1.00 60.11 C ATOM 2017 CD ARG A 210 82.280 34.245 28.400 1.00 49.73 C ATOM 2018 NE ARG A 210 80.888 34.679 28.328 1.00 51.49 N ATOM 2019 CZ ARG A 210 79.826 33.877 28.367 1.00 54.77 C ATOM 2020 NH1 ARG A 210 79.986 32.565 28.502 1.00 68.07 N ATOM 2021 NH2 ARG A 210 78.598 34.394 28.266 1.00 44.19 N ATOM 2022 HE ARG A 210 80.711 35.700 28.239 1.00 0.00 H ATOM 2023 HH12 ARG A 210 79.155 31.940 28.532 1.00 0.00 H ATOM 2024 HH11 ARG A 210 80.942 32.163 28.577 1.00 0.00 H ATOM 2025 HH22 ARG A 210 77.767 33.770 28.296 1.00 0.00 H ATOM 2026 HH21 ARG A 210 78.473 35.421 28.157 1.00 0.00 H ATOM 2027 H ARG A 210 81.959 37.035 32.653 1.00 0.00 H ATOM 2028 N ARG A 211 85.198 34.135 32.108 1.00 67.66 N ATOM 2029 CA ARG A 211 86.644 34.059 32.225 1.00 74.47 C ATOM 2030 C ARG A 211 87.319 34.746 31.038 1.00 80.47 C ATOM 2031 O ARG A 211 86.839 34.691 29.900 1.00 65.13 O ATOM 2032 CB ARG A 211 87.076 32.596 32.328 1.00 67.37 C ATOM 2033 CG ARG A 211 88.368 32.383 33.069 1.00 67.92 C ATOM 2034 CD ARG A 211 88.725 30.900 33.155 1.00 75.48 C ATOM 2035 NE ARG A 211 88.062 30.248 34.280 1.00 72.21 N ATOM 2036 CZ ARG A 211 88.458 30.360 35.545 1.00 72.35 C ATOM 2037 NH1 ARG A 211 89.516 31.097 35.849 1.00 70.65 N ATOM 2038 NH2 ARG A 211 87.795 29.740 36.512 1.00 71.54 N ATOM 2039 HE ARG A 211 87.228 29.659 34.080 1.00 0.00 H ATOM 2040 HH12 ARG A 211 89.823 31.183 36.839 1.00 0.00 H ATOM 2041 HH11 ARG A 211 90.040 31.590 35.098 1.00 0.00 H ATOM 2042 HH22 ARG A 211 88.109 29.831 37.499 1.00 0.00 H ATOM 2043 HH21 ARG A 211 86.961 29.163 36.283 1.00 0.00 H ATOM 2044 H ARG A 211 84.640 33.259 32.046 1.00 0.00 H ATOM 2045 N SER A 212 88.421 35.433 31.324 1.00 97.69 N ATOM 2046 CA SER A 212 89.260 35.994 30.276 1.00112.99 C ATOM 2047 C SER A 212 90.228 34.930 29.775 1.00120.88 C ATOM 2048 O SER A 212 90.752 34.127 30.554 1.00121.90 O ATOM 2049 CB SER A 212 90.031 37.210 30.795 1.00113.61 C ATOM 2050 OG SER A 212 90.993 37.649 29.851 1.00112.82 O ATOM 2051 HG SER A 212 91.475 38.434 30.213 1.00 0.00 H ATOM 2052 H SER A 212 88.689 35.572 32.319 1.00 0.00 H ATOM 2053 N HIS A 213 90.453 34.911 28.467 1.00123.70 N ATOM 2054 CA HIS A 213 91.373 33.937 27.890 1.00120.27 C ATOM 2055 C HIS A 213 92.059 34.489 26.643 1.00113.07 C ATOM 2056 O HIS A 213 93.286 34.520 26.564 1.00110.26 O ATOM 2057 CB HIS A 213 90.636 32.632 27.566 1.00120.94 C ATOM 2058 CG HIS A 213 89.623 32.759 26.469 1.00123.72 C ATOM 2059 ND1 HIS A 213 89.973 32.955 25.150 1.00125.53 N ATOM 2060 CD2 HIS A 213 88.270 32.710 26.495 1.00122.76 C ATOM 2061 CE1 HIS A 213 88.880 33.025 24.411 1.00125.25 C ATOM 2062 NE2 HIS A 213 87.833 32.879 25.203 1.00122.87 N ATOM 2063 H HIS A 213 89.970 35.595 27.850 1.00 0.00 H TER 2064 HIS A 213 HETATM 2065 O HOH 1 66.649 21.197 57.795 1.00 41.89 O HETATM 2066 O HOH 2 54.221 43.998 57.534 1.00 45.64 O HETATM 2067 O HOH 3 85.232 13.090 75.717 1.00 67.34 O HETATM 2068 O HOH 4 81.770 43.613 42.403 1.00 66.24 O HETATM 2069 O HOH 5 77.509 7.494 87.154 1.00 55.48 O HETATM 2070 O HOH 6 67.075 41.366 49.733 1.00 54.31 O HETATM 2071 O HOH 7 66.115 34.628 66.584 1.00 32.85 O HETATM 2072 O HOH 8 85.701 29.916 38.319 1.00 52.00 O HETATM 2073 O HOH 9 61.746 34.905 53.890 1.00 35.35 O HETATM 2074 O HOH 10 77.917 16.310 60.015 1.00 41.81 O HETATM 2075 O HOH 11 61.798 29.954 59.460 1.00 34.86 O HETATM 2076 O HOH 12 83.362 29.148 24.880 1.00 72.32 O HETATM 2077 O HOH 13 84.500 26.178 48.358 1.00 43.36 O HETATM 2078 O HOH 14 53.221 30.993 60.184 1.00 44.96 O HETATM 2079 O HOH 15 62.662 30.180 56.878 1.00 29.23 O HETATM 2080 O HOH 16 67.786 21.344 55.510 1.00 35.75 O HETATM 2081 O HOH 17 62.566 16.316 69.783 1.00 42.20 O HETATM 2082 O HOH 18 72.237 24.447 34.531 1.00 39.42 O HETATM 2083 O HOH 19 79.111 24.772 53.973 1.00 48.57 O HETATM 2084 O HOH 20 66.900 24.319 71.123 1.00 40.98 O HETATM 2085 O HOH 21 68.193 38.406 62.499 1.00 46.49 O HETATM 2086 O HOH 22 78.240 50.247 31.677 1.00 45.83 O HETATM 2087 O HOH 23 65.493 37.580 63.423 1.00 38.61 O HETATM 2088 O HOH 24 72.011 26.382 41.578 1.00 42.63 O HETATM 2089 O HOH 25 67.619 18.675 66.642 1.00 42.27 O HETATM 2090 O HOH 26 69.913 26.904 68.442 1.00 36.65 O HETATM 2091 O HOH 27 59.760 42.034 58.655 1.00 34.96 O HETATM 2092 O HOH 28 72.809 20.488 56.240 1.00 43.69 O HETATM 2093 O HOH 29 65.611 30.151 34.362 1.00 47.52 O HETATM 2094 O HOH 30 61.784 14.296 74.354 1.00 60.46 O HETATM 2095 O HOH 31 69.046 34.684 40.764 1.00 42.54 O HETATM 2096 O HOH 32 78.426 30.554 54.233 1.00 37.23 O HETATM 2097 O HOH 33 61.788 14.823 71.556 1.00 48.74 O HETATM 2098 O HOH 34 76.977 32.330 55.760 1.00 39.02 O HETATM 2099 O HOH 35 74.812 18.954 79.572 1.00 53.36 O HETATM 2100 O HOH 36 82.487 36.719 48.642 1.00 53.60 O HETATM 2101 O HOH 37 67.975 28.307 69.799 1.00 51.75 O HETATM 2102 O HOH 38 72.388 36.799 59.465 1.00 46.73 O HETATM 2103 O HOH 39 81.763 -1.745 72.953 1.00 63.90 O HETATM 2104 O HOH 40 77.116 26.779 59.981 1.00 35.75 O HETATM 2105 O HOH 41 62.681 38.027 51.037 1.00 65.72 O HETATM 2106 O HOH 42 56.751 23.680 66.342 1.00 43.92 O HETATM 2107 O HOH 43 62.616 33.055 72.092 1.00 57.89 O HETATM 2108 O HOH 44 67.727 22.240 49.089 1.00 55.83 O HETATM 2109 O HOH 45 85.718 3.789 82.602 1.00 48.88 O HETATM 2110 O HOH 46 66.661 32.902 75.036 1.00 60.24 O HETATM 2111 O HOH 47 62.939 38.141 63.174 1.00 44.27 O HETATM 2112 O HOH 48 55.397 39.142 65.675 1.00 55.03 O HETATM 2113 O HOH 49 48.738 34.321 64.678 1.00 52.36 O HETATM 2114 O HOH 50 53.128 26.232 56.970 1.00 58.89 O HETATM 2115 N GLY A 51 52.979 37.258 48.552 1.00 0.24 N HETATM 2116 CA GLY A 51 51.987 37.426 49.593 1.00 0.05 C HETATM 2117 C GLY A 51 51.974 36.223 50.508 1.00 0.22 C HETATM 2118 O GLY A 51 52.600 35.203 50.208 1.00 -0.39 O HETATM 2119 N GLY A 51 51.252 36.330 51.625 1.00 -0.26 N HETATM 2120 CA GLY A 51 51.231 35.233 52.583 1.00 0.14 C HETATM 2121 C GLY A 51 50.727 33.940 51.944 1.00 0.20 C HETATM 2122 O GLY A 51 51.233 32.854 52.255 1.00 -0.39 O HETATM 2123 N GLY A 51 49.769 34.032 51.024 1.00 -0.26 N HETATM 2124 CA GLY A 51 49.110 32.834 50.514 1.00 0.14 C HETATM 2125 C GLY A 51 49.890 32.131 49.409 1.00 0.20 C HETATM 2126 O GLY A 51 49.416 31.111 48.903 1.00 -0.39 O HETATM 2127 N GLY A 51 51.052 32.654 49.014 1.00 -0.26 N HETATM 2128 CA GLY A 51 51.957 31.956 48.108 1.00 0.15 C HETATM 2129 C GLY A 51 53.274 31.704 48.826 1.00 0.21 C HETATM 2130 O GLY A 51 54.356 31.898 48.259 1.00 -0.39 O HETATM 2131 N GLY A 51 53.179 31.304 50.087 1.00 -0.26 N HETATM 2132 CA GLY A 51 54.319 31.055 50.958 1.00 0.14 C HETATM 2133 C GLY A 51 53.981 29.798 51.753 1.00 0.21 C HETATM 2134 O GLY A 51 53.016 29.804 52.524 1.00 -0.39 O HETATM 2135 N GLY A 51 54.703 28.692 51.557 1.00 -0.25 N HETATM 2136 CA GLY A 51 54.333 27.446 52.255 1.00 0.13 C HETATM 2137 C GLY A 51 54.374 27.562 53.769 1.00 0.20 C HETATM 2138 O GLY A 51 53.703 26.781 54.456 1.00 -0.39 O HETATM 2139 N GLY A 51 55.133 28.509 54.316 1.00 -0.26 N HETATM 2140 CA GLY A 51 55.152 28.707 55.759 1.00 0.13 C HETATM 2141 C GLY A 51 53.932 29.473 56.264 1.00 0.20 C HETATM 2142 O GLY A 51 53.701 29.526 57.480 1.00 -0.39 O HETATM 2143 N GLY A 51 53.170 30.098 55.362 1.00 -0.26 N HETATM 2144 CA GLY A 51 52.037 30.936 55.727 1.00 0.14 C HETATM 2145 C GLY A 51 50.814 30.218 55.167 1.00 0.20 C HETATM 2146 O GLY A 51 50.330 29.251 55.780 1.00 -0.39 O HETATM 2147 N GLY A 51 50.306 30.615 54.004 1.00 -0.26 N HETATM 2148 CA GLY A 51 49.520 29.742 53.131 1.00 0.13 C HETATM 2149 C GLY A 51 48.347 29.009 53.788 1.00 0.20 C HETATM 2150 O GLY A 51 47.213 29.485 53.703 1.00 -0.39 O HETATM 2151 N GLY A 51 48.571 27.823 54.368 1.00 -0.26 N HETATM 2152 CA GLY A 51 47.468 27.091 54.994 1.00 0.14 C HETATM 2153 C GLY A 51 47.105 27.878 56.246 1.00 0.21 C HETATM 2154 O GLY A 51 47.453 27.489 57.364 1.00 -0.39 O HETATM 2155 N GLY A 51 46.448 29.021 56.041 1.00 -0.26 N HETATM 2156 CA GLY A 51 46.187 30.035 57.056 1.00 0.13 C HETATM 2157 C GLY A 51 45.408 31.164 56.388 1.00 0.20 C HETATM 2158 O GLY A 51 44.822 32.014 57.068 1.00 -0.39 O HETATM 2159 N GLY A 51 45.424 31.177 55.050 1.00 -0.26 N HETATM 2160 CA GLY A 51 44.476 31.932 54.223 1.00 0.14 C HETATM 2161 C GLY A 51 43.322 31.026 53.822 1.00 0.20 C HETATM 2162 O GLY A 51 42.673 31.268 52.804 1.00 -0.39 O HETATM 2163 N GLY A 51 43.097 29.960 54.583 1.00 -0.26 N HETATM 2164 CA GLY A 51 42.075 28.940 54.213 1.00 0.13 C HETATM 2165 CB GLY A 51 42.725 27.732 53.535 1.00 -0.01 C HETATM 2166 CG GLY A 51 43.871 28.112 52.602 1.00 -0.02 C HETATM 2167 CD GLY A 51 44.648 26.856 52.205 1.00 0.06 C HETATM 2168 NE GLY A 51 45.918 27.079 51.526 1.00 -0.27 N HETATM 2169 CZ GLY A 51 46.114 27.969 50.545 1.00 0.29 C HETATM 2170 NH1 GLY A 51 45.244 28.841 50.264 1.00 -0.28 N HETATM 2171 H95 GLY A 51 45.417 29.515 49.505 1.00 0.26 H HETATM 2172 H96 GLY A 51 44.362 28.878 50.794 1.00 0.26 H HETATM 2173 NH2 GLY A 51 47.321 27.934 49.796 1.00 -0.28 N HETATM 2174 H97 GLY A 51 48.041 27.230 50.012 1.00 0.26 H HETATM 2175 H98 GLY A 51 47.476 28.613 49.037 1.00 0.26 H HETATM 2176 H94 GLY A 51 46.724 26.510 51.822 1.00 0.26 H HETATM 2177 H92 GLY A 51 44.008 26.262 51.536 1.00 0.07 H HETATM 2178 H93 GLY A 51 44.852 26.283 53.121 1.00 0.07 H HETATM 2179 H90 GLY A 51 44.545 28.812 53.117 1.00 0.03 H HETATM 2180 H91 GLY A 51 43.464 28.591 51.699 1.00 0.03 H HETATM 2181 H88 GLY A 51 41.958 27.205 52.950 1.00 0.03 H HETATM 2182 H89 GLY A 51 43.116 27.062 54.315 1.00 0.03 H HETATM 2183 C GLY A 51 41.307 28.478 55.414 1.00 0.20 C HETATM 2184 O GLY A 51 41.804 28.592 56.523 1.00 -0.39 O HETATM 2185 NT GLY A 51 40.024 27.901 55.243 1.00 -0.30 N HETATM 2186 H99 GLY A 51 39.505 27.590 56.039 1.00 0.18 H HETATM 2187 H100 GLY A 51 39.637 27.805 54.326 1.00 0.18 H HETATM 2188 H87 GLY A 51 41.371 29.402 53.505 1.00 0.08 H HETATM 2189 H86 GLY A 51 43.626 29.839 55.423 1.00 0.19 H HETATM 2190 CB GLY A 51 45.104 32.467 52.922 1.00 0.04 C HETATM 2191 SG GLY A 51 46.711 33.287 52.953 1.00 -0.09 S HETATM 2192 SG GLY A 51 46.804 34.282 51.166 1.00 -0.09 S HETATM 2193 CB GLY A 51 47.704 33.185 50.021 1.00 0.04 C HETATM 2194 H12 GLY A 51 47.130 32.254 49.904 1.00 0.04 H HETATM 2195 H13 GLY A 51 47.789 33.688 49.047 1.00 0.04 H HETATM 2196 H84 GLY A 51 44.389 33.189 52.500 1.00 0.04 H HETATM 2197 H85 GLY A 51 45.201 31.608 52.242 1.00 0.04 H HETATM 2198 H83 GLY A 51 44.096 32.780 54.812 1.00 0.08 H HETATM 2199 H82 GLY A 51 46.126 30.638 54.584 1.00 0.19 H HETATM 2200 CB GLY A 51 47.492 30.543 57.681 1.00 -0.01 C HETATM 2201 CG GLY A 51 47.329 31.677 58.688 1.00 -0.02 C HETATM 2202 CD GLY A 51 48.649 31.985 59.378 1.00 0.06 C HETATM 2203 NE GLY A 51 48.509 33.058 60.352 1.00 -0.27 N HETATM 2204 CZ GLY A 51 49.363 33.288 61.347 1.00 0.29 C HETATM 2205 NH1 GLY A 51 50.423 32.500 61.505 1.00 -0.28 N HETATM 2206 H78 GLY A 51 51.085 32.676 62.274 1.00 0.26 H HETATM 2207 H79 GLY A 51 50.581 31.714 60.858 1.00 0.26 H HETATM 2208 NH2 GLY A 51 49.157 34.301 62.190 1.00 -0.28 N HETATM 2209 H80 GLY A 51 48.337 34.913 62.070 1.00 0.26 H HETATM 2210 H81 GLY A 51 49.818 34.472 62.961 1.00 0.26 H HETATM 2211 H77 GLY A 51 47.694 33.682 60.265 1.00 0.26 H HETATM 2212 H75 GLY A 51 49.386 32.286 58.619 1.00 0.07 H HETATM 2213 H76 GLY A 51 49.002 31.079 59.893 1.00 0.07 H HETATM 2214 H73 GLY A 51 46.587 31.382 59.445 1.00 0.03 H HETATM 2215 H74 GLY A 51 46.979 32.578 58.162 1.00 0.03 H HETATM 2216 H71 GLY A 51 48.143 30.899 56.869 1.00 0.03 H HETATM 2217 H72 GLY A 51 47.975 29.699 58.194 1.00 0.03 H HETATM 2218 H70 GLY A 51 45.570 29.596 57.854 1.00 0.08 H HETATM 2219 H69 GLY A 51 46.107 29.196 55.117 1.00 0.19 H HETATM 2220 CB GLY A 51 47.828 25.607 55.294 1.00 0.02 C HETATM 2221 CG GLY A 51 47.605 24.566 54.140 1.00 -0.03 C HETATM 2222 CD1 GLY A 51 46.343 23.961 53.878 1.00 -0.05 C HETATM 2223 CE1 GLY A 51 46.173 22.940 52.808 1.00 0.05 C HETATM 2224 CZ GLY A 51 47.169 22.656 52.073 1.00 0.11 C HETATM 2225 CE2 GLY A 51 48.429 23.180 52.291 1.00 -0.02 C HETATM 2226 CD2 GLY A 51 48.661 24.137 53.330 1.00 -0.05 C HETATM 2227 H65 GLY A 51 49.663 24.532 53.490 1.00 0.07 H HETATM 2228 H68 GLY A 51 49.259 22.860 51.662 1.00 0.05 H HETATM 2229 OH GLY A 51 46.987 21.779 51.125 1.00 -0.41 O HETATM 2230 H66 GLY A 51 45.372 23.297 52.144 1.00 0.07 H HETATM 2231 H67 GLY A 51 45.855 22.008 53.297 1.00 0.07 H HETATM 2232 H64 GLY A 51 45.480 24.253 54.475 1.00 0.07 H HETATM 2233 H62 GLY A 51 47.218 25.286 56.151 1.00 0.04 H HETATM 2234 H63 GLY A 51 48.893 25.574 55.568 1.00 0.04 H HETATM 2235 H61 GLY A 51 46.606 27.091 54.311 1.00 0.08 H HETATM 2236 H60 GLY A 51 49.493 27.436 54.374 1.00 0.19 H HETATM 2237 CB GLY A 51 50.452 28.724 52.464 1.00 -0.01 C HETATM 2238 CG GLY A 51 49.844 28.058 51.261 1.00 -0.02 C HETATM 2239 CD GLY A 51 50.888 27.752 50.216 1.00 0.06 C HETATM 2240 NE GLY A 51 51.243 26.336 50.192 1.00 -0.27 N HETATM 2241 CZ GLY A 51 52.178 25.818 49.403 1.00 0.29 C HETATM 2242 NH1 GLY A 51 52.852 26.600 48.568 1.00 -0.28 N HETATM 2243 H56 GLY A 51 53.577 26.197 47.957 1.00 0.26 H HETATM 2244 H57 GLY A 51 52.650 27.609 48.532 1.00 0.26 H HETATM 2245 NH2 GLY A 51 52.439 24.520 49.449 1.00 -0.28 N HETATM 2246 H58 GLY A 51 51.917 23.912 50.096 1.00 0.26 H HETATM 2247 H59 GLY A 51 53.164 24.119 48.837 1.00 0.26 H HETATM 2248 H55 GLY A 51 50.738 25.700 50.825 1.00 0.26 H HETATM 2249 H53 GLY A 51 51.791 28.340 50.434 1.00 0.07 H HETATM 2250 H54 GLY A 51 50.495 28.036 49.228 1.00 0.07 H HETATM 2251 H51 GLY A 51 49.087 28.727 50.826 1.00 0.03 H HETATM 2252 H52 GLY A 51 49.366 27.119 51.575 1.00 0.03 H HETATM 2253 H49 GLY A 51 50.706 27.948 53.201 1.00 0.03 H HETATM 2254 H50 GLY A 51 51.368 29.244 52.149 1.00 0.03 H HETATM 2255 H48 GLY A 51 49.093 30.381 52.344 1.00 0.08 H HETATM 2256 H47 GLY A 51 50.469 31.557 53.711 1.00 0.19 H HETATM 2257 CB GLY A 51 52.282 32.368 55.215 1.00 0.04 C HETATM 2258 SG GLY A 51 51.475 33.788 56.085 1.00 -0.09 S HETATM 2259 SG GLY A 51 49.860 34.277 54.918 1.00 -0.09 S HETATM 2260 CB GLY A 51 50.385 35.625 53.797 1.00 0.04 C HETATM 2261 H8 GLY A 51 49.475 36.117 53.422 1.00 0.04 H HETATM 2262 H9 GLY A 51 50.971 36.341 54.392 1.00 0.04 H HETATM 2263 H45 GLY A 51 51.943 32.398 54.169 1.00 0.04 H HETATM 2264 H46 GLY A 51 53.367 32.542 55.254 1.00 0.04 H HETATM 2265 H44 GLY A 51 51.943 30.984 56.822 1.00 0.08 H HETATM 2266 H43 GLY A 51 53.388 29.985 54.392 1.00 0.19 H HETATM 2267 CB GLY A 51 56.419 29.464 56.178 1.00 -0.01 C HETATM 2268 CG GLY A 51 57.733 28.862 55.743 1.00 -0.02 C HETATM 2269 CD GLY A 51 58.860 29.907 55.883 1.00 0.06 C HETATM 2270 NE GLY A 51 58.712 30.973 54.886 1.00 -0.27 N HETATM 2271 CZ GLY A 51 59.598 31.946 54.640 1.00 0.29 C HETATM 2272 NH1 GLY A 51 60.754 32.030 55.312 1.00 -0.28 N HETATM 2273 H39 GLY A 51 61.418 32.789 55.102 1.00 0.26 H HETATM 2274 H40 GLY A 51 60.979 31.335 56.038 1.00 0.26 H HETATM 2275 NH2 GLY A 51 59.322 32.841 53.692 1.00 -0.28 N HETATM 2276 H41 GLY A 51 58.435 32.783 53.171 1.00 0.26 H HETATM 2277 H42 GLY A 51 59.995 33.591 53.480 1.00 0.26 H HETATM 2278 H38 GLY A 51 57.848 30.973 54.325 1.00 0.26 H HETATM 2279 H36 GLY A 51 59.831 29.411 55.739 1.00 0.07 H HETATM 2280 H37 GLY A 51 58.820 30.348 56.890 1.00 0.07 H HETATM 2281 H34 GLY A 51 57.659 28.544 54.693 1.00 0.03 H HETATM 2282 H35 GLY A 51 57.962 27.991 56.375 1.00 0.03 H HETATM 2283 H32 GLY A 51 56.425 29.524 57.276 1.00 0.03 H HETATM 2284 H33 GLY A 51 56.359 30.478 55.755 1.00 0.03 H HETATM 2285 H31 GLY A 51 55.159 27.716 56.237 1.00 0.08 H HETATM 2286 H30 GLY A 51 55.697 29.091 53.730 1.00 0.19 H HETATM 2287 CB GLY A 51 55.361 26.434 51.734 1.00 -0.01 C HETATM 2288 CG GLY A 51 56.508 27.276 51.241 1.00 -0.03 C HETATM 2289 CD GLY A 51 55.864 28.508 50.672 1.00 0.04 C HETATM 2290 H28 GLY A 51 56.543 29.372 50.721 1.00 0.05 H HETATM 2291 H29 GLY A 51 55.549 28.348 49.630 1.00 0.05 H HETATM 2292 H26 GLY A 51 57.075 26.742 50.465 1.00 0.03 H HETATM 2293 H27 GLY A 51 57.181 27.539 52.071 1.00 0.03 H HETATM 2294 H24 GLY A 51 54.937 25.837 50.913 1.00 0.03 H HETATM 2295 H25 GLY A 51 55.690 25.764 52.542 1.00 0.03 H HETATM 2296 H23 GLY A 51 53.318 27.141 51.962 1.00 0.08 H HETATM 2297 CB GLY A 51 54.593 32.275 51.863 1.00 0.04 C HETATM 2298 CG GLY A 51 55.840 32.106 52.747 1.00 0.04 C HETATM 2299 OD1 GLY A 51 56.161 30.952 53.125 1.00 -0.57 O HETATM 2300 OD2 GLY A 51 56.500 33.131 53.068 1.00 -0.57 O HETATM 2301 H21 GLY A 51 53.721 32.429 52.515 1.00 0.05 H HETATM 2302 H22 GLY A 51 54.735 33.159 51.224 1.00 0.05 H HETATM 2303 H20 GLY A 51 55.215 30.868 50.349 1.00 0.08 H HETATM 2304 H19 GLY A 51 52.264 31.164 50.465 1.00 0.19 H HETATM 2305 CB GLY A 51 52.182 32.757 46.825 1.00 0.08 C HETATM 2306 OG GLY A 51 51.133 32.524 45.905 1.00 -0.39 O HETATM 2307 H18 GLY A 51 51.288 33.028 45.115 1.00 0.21 H HETATM 2308 H16 GLY A 51 53.136 32.452 46.371 1.00 0.06 H HETATM 2309 H17 GLY A 51 52.218 33.829 47.069 1.00 0.06 H HETATM 2310 H15 GLY A 51 51.509 30.988 47.838 1.00 0.08 H HETATM 2311 H14 GLY A 51 51.312 33.559 49.352 1.00 0.19 H HETATM 2312 H11 GLY A 51 49.014 32.127 51.351 1.00 0.08 H HETATM 2313 H10 GLY A 51 49.498 34.931 50.679 1.00 0.19 H HETATM 2314 H7 GLY A 51 52.261 35.059 52.926 1.00 0.08 H HETATM 2315 H6 GLY A 51 50.726 37.162 51.804 1.00 0.19 H HETATM 2316 H4 GLY A 51 50.995 37.542 49.133 1.00 0.11 H HETATM 2317 H5 GLY A 51 52.226 38.325 50.180 1.00 0.11 H HETATM 2318 H1 GLY A 51 52.976 38.067 47.951 1.00 0.20 H HETATM 2319 H2 GLY A 51 52.762 36.436 48.010 1.00 0.20 H HETATM 2320 H3 GLY A 51 53.890 37.154 48.970 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1019 1020 1023 1024 1025 CONECT 1023 1019 CONECT 1024 1019 CONECT 1025 1019 CONECT 1265 1264 1403 CONECT 1403 1265 1402 CONECT 1869 1868 1876 CONECT 1876 1869 1875 CONECT 2115 2116 2318 2319 2320 CONECT 2116 2115 2117 2316 2317 CONECT 2117 2116 2118 2119 CONECT 2118 2117 CONECT 2119 2117 2120 2315 CONECT 2120 2119 2121 2260 2314 CONECT 2121 2120 2122 2123 CONECT 2122 2121 CONECT 2123 2121 2124 2313 CONECT 2124 2123 2125 2193 2312 CONECT 2125 2124 2126 2127 CONECT 2126 2125 CONECT 2127 2125 2128 2311 CONECT 2128 2127 2129 2305 2310 CONECT 2129 2128 2130 2131 CONECT 2130 2129 CONECT 2131 2129 2132 2304 CONECT 2132 2131 2133 2297 2303 CONECT 2133 2132 2134 2135 CONECT 2134 2133 CONECT 2135 2133 2136 2289 CONECT 2136 2135 2137 2287 2296 CONECT 2137 2136 2138 2139 CONECT 2138 2137 CONECT 2139 2137 2140 2286 CONECT 2140 2139 2141 2267 2285 CONECT 2141 2140 2142 2143 CONECT 2142 2141 CONECT 2143 2141 2144 2266 CONECT 2144 2143 2145 2257 2265 CONECT 2145 2144 2146 2147 CONECT 2146 2145 CONECT 2147 2145 2148 2256 CONECT 2148 2147 2149 2237 2255 CONECT 2149 2148 2150 2151 CONECT 2150 2149 CONECT 2151 2149 2152 2236 CONECT 2152 2151 2153 2220 2235 CONECT 2153 2152 2154 2155 CONECT 2154 2153 CONECT 2155 2153 2156 2219 CONECT 2156 2155 2157 2200 2218 CONECT 2157 2156 2158 2159 CONECT 2158 2157 CONECT 2159 2157 2160 2199 CONECT 2160 2159 2161 2190 2198 CONECT 2161 2160 2162 2163 CONECT 2162 2161 CONECT 2163 2161 2164 2189 CONECT 2164 2163 2165 2183 2188 CONECT 2165 2164 2166 2181 2182 CONECT 2166 2165 2167 2179 2180 CONECT 2167 2166 2168 2177 2178 CONECT 2168 2167 2169 2176 CONECT 2169 2168 2170 2173 CONECT 2170 2169 2171 2172 CONECT 2171 2170 CONECT 2172 2170 CONECT 2173 2169 2174 2175 CONECT 2174 2173 CONECT 2175 2173 CONECT 2176 2168 CONECT 2177 2167 CONECT 2178 2167 CONECT 2179 2166 CONECT 2180 2166 CONECT 2181 2165 CONECT 2182 2165 CONECT 2183 2164 2184 2185 CONECT 2184 2183 CONECT 2185 2183 2186 2187 CONECT 2186 2185 CONECT 2187 2185 CONECT 2188 2164 CONECT 2189 2163 CONECT 2190 2160 2191 2196 2197 CONECT 2191 2190 2192 CONECT 2192 2191 2193 CONECT 2193 2124 2192 2194 2195 CONECT 2194 2193 CONECT 2195 2193 CONECT 2196 2190 CONECT 2197 2190 CONECT 2198 2160 CONECT 2199 2159 CONECT 2200 2156 2201 2216 2217 CONECT 2201 2200 2202 2214 2215 CONECT 2202 2201 2203 2212 2213 CONECT 2203 2202 2204 2211 CONECT 2204 2203 2205 2208 CONECT 2205 2204 2206 2207 CONECT 2206 2205 CONECT 2207 2205 CONECT 2208 2204 2209 2210 CONECT 2209 2208 CONECT 2210 2208 CONECT 2211 2203 CONECT 2212 2202 CONECT 2213 2202 CONECT 2214 2201 CONECT 2215 2201 CONECT 2216 2200 CONECT 2217 2200 CONECT 2218 2156 CONECT 2219 2155 CONECT 2220 2152 2221 2233 2234 CONECT 2221 2220 2222 2226 CONECT 2222 2221 2223 2232 CONECT 2223 2222 2224 2230 2231 CONECT 2224 2223 2225 2229 CONECT 2225 2224 2226 2228 CONECT 2226 2221 2225 2227 CONECT 2227 2226 CONECT 2228 2225 CONECT 2229 2224 CONECT 2230 2223 CONECT 2231 2223 CONECT 2232 2222 CONECT 2233 2220 CONECT 2234 2220 CONECT 2235 2152 CONECT 2236 2151 CONECT 2237 2148 2238 2253 2254 CONECT 2238 2237 2239 2251 2252 CONECT 2239 2238 2240 2249 2250 CONECT 2240 2239 2241 2248 CONECT 2241 2240 2242 2245 CONECT 2242 2241 2243 2244 CONECT 2243 2242 CONECT 2244 2242 CONECT 2245 2241 2246 2247 CONECT 2246 2245 CONECT 2247 2245 CONECT 2248 2240 CONECT 2249 2239 CONECT 2250 2239 CONECT 2251 2238 CONECT 2252 2238 CONECT 2253 2237 CONECT 2254 2237 CONECT 2255 2148 CONECT 2256 2147 CONECT 2257 2144 2258 2263 2264 CONECT 2258 2257 2259 CONECT 2259 2258 2260 CONECT 2260 2120 2259 2261 2262 CONECT 2261 2260 CONECT 2262 2260 CONECT 2263 2257 CONECT 2264 2257 CONECT 2265 2144 CONECT 2266 2143 CONECT 2267 2140 2268 2283 2284 CONECT 2268 2267 2269 2281 2282 CONECT 2269 2268 2270 2279 2280 CONECT 2270 2269 2271 2278 CONECT 2271 2270 2272 2275 CONECT 2272 2271 2273 2274 CONECT 2273 2272 CONECT 2274 2272 CONECT 2275 2271 2276 2277 CONECT 2276 2275 CONECT 2277 2275 CONECT 2278 2270 CONECT 2279 2269 CONECT 2280 2269 CONECT 2281 2268 CONECT 2282 2268 CONECT 2283 2267 CONECT 2284 2267 CONECT 2285 2140 CONECT 2286 2139 CONECT 2287 2136 2288 2294 2295 CONECT 2288 2287 2289 2292 2293 CONECT 2289 2135 2288 2290 2291 CONECT 2290 2289 CONECT 2291 2289 CONECT 2292 2288 CONECT 2293 2288 CONECT 2294 2287 CONECT 2295 2287 CONECT 2296 2136 CONECT 2297 2132 2298 2301 2302 CONECT 2298 2297 2299 2300 CONECT 2299 2298 CONECT 2300 2298 CONECT 2301 2297 CONECT 2302 2297 CONECT 2303 2132 CONECT 2304 2131 CONECT 2305 2128 2306 2308 2309 CONECT 2306 2305 2307 CONECT 2307 2306 CONECT 2308 2305 CONECT 2309 2305 CONECT 2310 2128 CONECT 2311 2127 CONECT 2312 2124 CONECT 2313 2123 CONECT 2314 2120 CONECT 2315 2119 CONECT 2316 2116 CONECT 2317 2116 CONECT 2318 2115 CONECT 2319 2115 CONECT 2320 2115 MASTER 0 0 0 0 0 0 0 0 2318 2 218 17 END
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13-mer
5wgd
RCSB PDB
PDBbind
13-mer
5wgq
RCSB PDB
PDBbind
13-mer
5yyz
RCSB PDB
PDBbind
13-mer
6bij
RCSB PDB
PDBbind
13-mer
6bil
RCSB PDB
PDBbind
13-mer
6bin
RCSB PDB
PDBbind
13-mer
6bir
RCSB PDB
PDBbind
13-mer
6biv
RCSB PDB
PDBbind
13-mer
6bix
RCSB PDB
PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
RCSB PDB
PDBbind
13-mer
6cf6
RCSB PDB
PDBbind
13-mer
6drt
RCSB PDB
PDBbind
13-mer
6e8k
RCSB PDB
PDBbind
13-mer
6e8m
RCSB PDB
PDBbind
13-mer
6o7g
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
13-mer
5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
6hy7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
nAChR alpha9-ECDs
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
2.26(Å)
Affinity (Kd/Ki/IC50)
Ki=2.7uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Front Pharmacol Vol. 10: pp. 474-474
Ligand Properties
Formula
C
5
9
H
1
0
1
N
2
6
O
1
7
S
4
Molecular Weight
1574.860
Exact Mass
1573.670
No. of atoms
207
No. of bonds
210
Polar Surface Area
850.98
LOGP Value
-3.38 (
Computed with XLOGP3
)
-9.34 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 28
No. of Nitrogen and Oxygen Atoms: 43
No. of Rings: 4
Canonical SMILES
[NH3+]CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CCC[NH+]=C(N)N)NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CSSC[C@H](NC(=O)[C@H](CCC[NH+]=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCC[NH+]=C(N)N)CC1=CCC(=O)C=C1)C(=O)N[C@H](C(=O)N)CCC[NH+]=C(N)N)CO)CC(=O)O)CCC3
InChI String
InChI=1S/C59H96N26O17S4/c60-22-42(88)74-37-24-103-104-26-39-52(99)77-31(7-2-16-71-57(64)65)45(92)79-34(20-28-11-13-29(87)14-12-28)48(95)76-32(8-3-17-72-58(66)67)46(93)82-38(51(98)75-30(44(61)91)6-1-15-70-56(62)63)25-105-106-27-40(84-50(37)97)53(100)81-36(23-86)49(96)80-35(21-43(89)90)55(102)85-19-5-10-41(85)54(101)78-33(47(94)83-39)9-4-18-73-59(68)69/h11-13,30-41,86H,1-10,14-27,60H2,(H2,61,91)(H,74,88)(H,75,98)(H,76,95)(H,77,99)(H,78,101)(H,79,92)(H,80,96)(H,81,100)(H,82,93)(H,83,94)(H,84,97)(H,89,90)(H4,62,63,70)(H4,64,65,71)(H4,66,67,72)(H4,68,69,73)/p+5/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P0C1D0
Q9UGM1
Entrez Gene ID
NCBI Entrez Gene ID:
55584
ASD
Information of known allosteric effects of PDB entries
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