Browse entries in the PDBbind-CN Database
HEADER 6OVC_COMPLEX COMPND 6OVC_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 164 MET GLU ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SEQRES 2 A 164 SER ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP SEQRES 3 A 164 THR LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS SEQRES 4 A 164 ALA LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN SEQRES 5 A 164 ARG ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS SEQRES 6 A 164 LEU ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER SEQRES 7 A 164 ARG VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN SEQRES 8 A 164 TRP GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE SEQRES 9 A 164 VAL ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER SER SEQRES 10 A 164 ILE GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL SEQRES 11 A 164 ARG THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP SEQRES 12 A 164 ASP GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU SEQRES 13 A 164 GLY GLY HIS HIS HIS HIS HIS HIS HET N A 8J 62 ATOM 1 N MET A 1 -0.294 2.191 -0.686 1.00 0.00 N ATOM 2 CA MET A 1 0.035 3.413 0.081 1.00 0.00 C ATOM 3 C MET A 1 1.261 4.106 -0.513 1.00 0.00 C ATOM 4 O MET A 1 1.118 5.155 -1.141 1.00 0.00 O ATOM 5 CB MET A 1 0.212 3.142 1.587 1.00 0.00 C ATOM 6 CG MET A 1 -1.111 2.749 2.254 1.00 0.00 C ATOM 7 SD MET A 1 -1.034 2.488 4.049 1.00 0.00 S ATOM 8 CE MET A 1 0.007 1.007 4.141 1.00 0.00 C ATOM 9 HN3 MET A 1 0.513 1.536 -0.654 1.00 0.00 H ATOM 10 HN2 MET A 1 -0.496 2.447 -1.674 1.00 0.00 H ATOM 11 HN1 MET A 1 -1.129 1.735 -0.267 1.00 0.00 H ATOM 12 N GLU A 2 2.459 3.524 -0.359 1.00 0.00 N ATOM 13 CA GLU A 2 3.703 4.098 -0.877 1.00 0.00 C ATOM 14 C GLU A 2 3.747 4.077 -2.416 1.00 0.00 C ATOM 15 O GLU A 2 3.331 3.110 -3.059 1.00 0.00 O ATOM 16 CB GLU A 2 4.911 3.376 -0.257 1.00 0.00 C ATOM 17 CG GLU A 2 6.244 4.004 -0.688 1.00 0.00 C ATOM 18 CD GLU A 2 7.434 3.406 0.069 1.00 0.00 C ATOM 19 OE1 GLU A 2 8.136 4.178 0.762 1.00 0.00 O ATOM 20 OE2 GLU A 2 7.680 2.185 -0.069 1.00 0.00 O ATOM 21 H GLU A 2 2.507 2.620 0.154 1.00 0.00 H ATOM 22 N ASP A 3 4.289 5.155 -2.988 1.00 0.00 N ATOM 23 CA ASP A 3 4.489 5.381 -4.420 1.00 0.00 C ATOM 24 C ASP A 3 5.712 6.299 -4.624 1.00 0.00 C ATOM 25 O ASP A 3 6.240 6.853 -3.658 1.00 0.00 O ATOM 26 CB ASP A 3 3.200 6.008 -4.986 1.00 0.00 C ATOM 27 CG ASP A 3 3.209 6.092 -6.515 1.00 0.00 C ATOM 28 OD1 ASP A 3 3.237 7.226 -7.045 1.00 0.00 O ATOM 29 OD2 ASP A 3 3.219 5.022 -7.166 1.00 0.00 O ATOM 30 H ASP A 3 4.602 5.913 -2.349 1.00 0.00 H ATOM 31 N GLU A 4 6.137 6.542 -5.870 1.00 0.00 N ATOM 32 CA GLU A 4 7.136 7.579 -6.169 1.00 0.00 C ATOM 33 C GLU A 4 6.611 9.003 -5.902 1.00 0.00 C ATOM 34 O GLU A 4 7.405 9.894 -5.587 1.00 0.00 O ATOM 35 CB GLU A 4 7.634 7.443 -7.617 1.00 0.00 C ATOM 36 CG GLU A 4 8.450 6.163 -7.854 1.00 0.00 C ATOM 37 CD GLU A 4 9.669 6.072 -6.924 1.00 0.00 C ATOM 38 OE1 GLU A 4 9.687 5.172 -6.052 1.00 0.00 O ATOM 39 OE2 GLU A 4 10.591 6.912 -7.058 1.00 0.00 O ATOM 40 H GLU A 4 5.748 5.979 -6.653 1.00 0.00 H ATOM 41 N LEU A 5 5.284 9.201 -5.912 1.00 0.00 N ATOM 42 CA LEU A 5 4.627 10.440 -5.490 1.00 0.00 C ATOM 43 C LEU A 5 4.652 10.626 -3.961 1.00 0.00 C ATOM 44 O LEU A 5 4.545 11.760 -3.494 1.00 0.00 O ATOM 45 CB LEU A 5 3.187 10.445 -6.043 1.00 0.00 C ATOM 46 CG LEU A 5 2.396 11.753 -5.825 1.00 0.00 C ATOM 47 CD1 LEU A 5 3.043 12.958 -6.520 1.00 0.00 C ATOM 48 CD2 LEU A 5 0.975 11.596 -6.367 1.00 0.00 C ATOM 49 H LEU A 5 4.680 8.421 -6.242 1.00 0.00 H ATOM 50 N TYR A 6 4.866 9.560 -3.173 1.00 0.00 N ATOM 51 CA TYR A 6 4.941 9.644 -1.709 1.00 0.00 C ATOM 52 C TYR A 6 6.210 10.361 -1.208 1.00 0.00 C ATOM 53 O TYR A 6 6.179 10.967 -0.134 1.00 0.00 O ATOM 54 CB TYR A 6 4.790 8.251 -1.081 1.00 0.00 C ATOM 55 CG TYR A 6 4.599 8.288 0.425 1.00 0.00 C ATOM 56 CD1 TYR A 6 5.619 7.833 1.284 1.00 0.00 C ATOM 57 CD2 TYR A 6 3.414 8.825 0.967 1.00 0.00 C ATOM 58 CE1 TYR A 6 5.465 7.930 2.679 1.00 0.00 C ATOM 59 CE2 TYR A 6 3.254 8.922 2.360 1.00 0.00 C ATOM 60 CZ TYR A 6 4.284 8.484 3.221 1.00 0.00 C ATOM 61 OH TYR A 6 4.149 8.629 4.568 1.00 0.00 O ATOM 62 HH TYR A 6 4.955 8.273 5.019 1.00 0.00 H ATOM 63 H TYR A 6 4.984 8.629 -3.622 1.00 0.00 H ATOM 64 N ARG A 7 7.267 10.424 -2.036 1.00 0.00 N ATOM 65 CA ARG A 7 8.472 11.236 -1.795 1.00 0.00 C ATOM 66 C ARG A 7 8.235 12.740 -2.024 1.00 0.00 C ATOM 67 O ARG A 7 9.081 13.556 -1.658 1.00 0.00 O ATOM 68 CB ARG A 7 9.660 10.736 -2.641 1.00 0.00 C ATOM 69 CG ARG A 7 10.081 9.285 -2.349 1.00 0.00 C ATOM 70 CD ARG A 7 9.334 8.269 -3.228 1.00 0.00 C ATOM 71 NE ARG A 7 9.789 6.886 -3.010 1.00 0.00 N ATOM 72 CZ ARG A 7 9.483 6.105 -1.973 1.00 0.00 C ATOM 73 NH1 ARG A 7 8.746 6.528 -0.963 1.00 0.00 N ATOM 74 NH2 ARG A 7 9.927 4.864 -1.936 1.00 0.00 N ATOM 75 HE ARG A 7 10.411 6.477 -3.737 1.00 0.00 H ATOM 76 HH12 ARG A 7 8.530 5.887 -0.173 1.00 0.00 H ATOM 77 HH11 ARG A 7 8.382 7.502 -0.957 1.00 0.00 H ATOM 78 HH22 ARG A 7 9.691 4.251 -1.130 1.00 0.00 H ATOM 79 HH21 ARG A 7 10.513 4.498 -2.713 1.00 0.00 H ATOM 80 H ARG A 7 7.231 9.859 -2.909 1.00 0.00 H ATOM 81 N GLN A 8 7.071 13.104 -2.577 1.00 0.00 N ATOM 82 CA GLN A 8 6.567 14.471 -2.724 1.00 0.00 C ATOM 83 C GLN A 8 5.365 14.753 -1.790 1.00 0.00 C ATOM 84 O GLN A 8 4.932 15.901 -1.677 1.00 0.00 O ATOM 85 CB GLN A 8 6.229 14.683 -4.212 1.00 0.00 C ATOM 86 CG GLN A 8 6.069 16.157 -4.605 1.00 0.00 C ATOM 87 CD GLN A 8 6.139 16.361 -6.117 1.00 0.00 C ATOM 88 OE1 GLN A 8 7.058 16.997 -6.624 1.00 0.00 O ATOM 89 NE2 GLN A 8 5.168 15.859 -6.865 1.00 0.00 N ATOM 90 HE22 GLN A 8 4.395 15.322 -6.422 1.00 0.00 H ATOM 91 HE21 GLN A 8 5.178 16.002 -7.895 1.00 0.00 H ATOM 92 H GLN A 8 6.465 12.340 -2.938 1.00 0.00 H ATOM 93 N SER A 9 4.838 13.727 -1.101 1.00 0.00 N ATOM 94 CA SER A 9 3.665 13.814 -0.219 1.00 0.00 C ATOM 95 C SER A 9 4.078 14.035 1.239 1.00 0.00 C ATOM 96 O SER A 9 3.671 15.017 1.862 1.00 0.00 O ATOM 97 CB SER A 9 2.818 12.535 -0.316 1.00 0.00 C ATOM 98 OG SER A 9 2.421 12.253 -1.646 1.00 0.00 O ATOM 99 HG SER A 9 3.225 12.132 -2.211 1.00 0.00 H ATOM 100 H SER A 9 5.296 12.798 -1.199 1.00 0.00 H ATOM 101 N LEU A 10 4.914 13.132 1.772 1.00 0.00 N ATOM 102 CA LEU A 10 5.404 13.140 3.155 1.00 0.00 C ATOM 103 C LEU A 10 6.370 14.313 3.392 1.00 0.00 C ATOM 104 O LEU A 10 6.420 14.871 4.487 1.00 0.00 O ATOM 105 CB LEU A 10 6.036 11.752 3.403 1.00 0.00 C ATOM 106 CG LEU A 10 6.464 11.345 4.831 1.00 0.00 C ATOM 107 CD1 LEU A 10 7.852 11.860 5.221 1.00 0.00 C ATOM 108 CD2 LEU A 10 5.445 11.733 5.903 1.00 0.00 C ATOM 109 H LEU A 10 5.242 12.363 1.154 1.00 0.00 H ATOM 110 N GLU A 11 7.032 14.773 2.327 1.00 0.00 N ATOM 111 CA GLU A 11 7.979 15.890 2.305 1.00 0.00 C ATOM 112 C GLU A 11 7.312 17.280 2.371 1.00 0.00 C ATOM 113 O GLU A 11 8.017 18.287 2.456 1.00 0.00 O ATOM 114 CB GLU A 11 8.859 15.727 1.054 1.00 0.00 C ATOM 115 CG GLU A 11 10.097 14.849 1.305 1.00 0.00 C ATOM 116 CD GLU A 11 9.783 13.486 1.939 1.00 0.00 C ATOM 117 OE1 GLU A 11 10.217 13.266 3.094 1.00 0.00 O ATOM 118 OE2 GLU A 11 9.121 12.649 1.281 1.00 0.00 O ATOM 119 H GLU A 11 6.858 14.290 1.423 1.00 0.00 H ATOM 120 N ILE A 12 5.974 17.350 2.397 1.00 0.00 N ATOM 121 CA ILE A 12 5.206 18.575 2.673 1.00 0.00 C ATOM 122 C ILE A 12 4.897 18.690 4.170 1.00 0.00 C ATOM 123 O ILE A 12 4.910 19.789 4.725 1.00 0.00 O ATOM 124 CB ILE A 12 3.918 18.592 1.811 1.00 0.00 C ATOM 125 CG1 ILE A 12 4.337 18.756 0.339 1.00 0.00 C ATOM 126 CG2 ILE A 12 2.957 19.732 2.211 1.00 0.00 C ATOM 127 CD1 ILE A 12 3.224 18.556 -0.692 1.00 0.00 C ATOM 128 H ILE A 12 5.441 16.477 2.209 1.00 0.00 H ATOM 129 N ILE A 13 4.612 17.561 4.825 1.00 0.00 N ATOM 130 CA ILE A 13 4.018 17.535 6.162 1.00 0.00 C ATOM 131 C ILE A 13 5.095 17.304 7.230 1.00 0.00 C ATOM 132 O ILE A 13 5.082 18.004 8.238 1.00 0.00 O ATOM 133 CB ILE A 13 2.838 16.535 6.160 1.00 0.00 C ATOM 134 CG1 ILE A 13 1.720 17.115 5.252 1.00 0.00 C ATOM 135 CG2 ILE A 13 2.297 16.280 7.580 1.00 0.00 C ATOM 136 CD1 ILE A 13 0.592 16.147 4.894 1.00 0.00 C ATOM 137 H ILE A 13 4.823 16.654 4.361 1.00 0.00 H ATOM 138 N SER A 14 6.124 16.489 6.964 1.00 0.00 N ATOM 139 CA SER A 14 7.298 16.373 7.846 1.00 0.00 C ATOM 140 C SER A 14 8.131 17.665 7.916 1.00 0.00 C ATOM 141 O SER A 14 8.810 17.899 8.919 1.00 0.00 O ATOM 142 CB SER A 14 8.179 15.191 7.417 1.00 0.00 C ATOM 143 OG SER A 14 8.714 15.379 6.119 1.00 0.00 O ATOM 144 HG SER A 14 7.974 15.468 5.468 1.00 0.00 H ATOM 145 H SER A 14 6.093 15.914 6.098 1.00 0.00 H ATOM 146 N ARG A 15 8.044 18.528 6.892 1.00 0.00 N ATOM 147 CA ARG A 15 8.743 19.818 6.826 1.00 0.00 C ATOM 148 C ARG A 15 7.924 20.954 7.452 1.00 0.00 C ATOM 149 O ARG A 15 8.519 21.858 8.038 1.00 0.00 O ATOM 150 CB ARG A 15 9.119 20.133 5.365 1.00 0.00 C ATOM 151 CG ARG A 15 10.408 19.453 4.872 1.00 0.00 C ATOM 152 CD ARG A 15 10.365 17.922 4.931 1.00 0.00 C ATOM 153 NE ARG A 15 11.493 17.312 4.207 1.00 0.00 N ATOM 154 CZ ARG A 15 12.695 17.031 4.709 1.00 0.00 C ATOM 155 NH1 ARG A 15 13.021 17.321 5.957 1.00 0.00 N ATOM 156 NH2 ARG A 15 13.598 16.445 3.946 1.00 0.00 N ATOM 157 HE ARG A 15 11.336 17.078 3.206 1.00 0.00 H ATOM 158 HH12 ARG A 15 13.969 17.087 6.315 1.00 0.00 H ATOM 159 HH11 ARG A 15 12.329 17.783 6.581 1.00 0.00 H ATOM 160 HH22 ARG A 15 14.538 16.222 4.331 1.00 0.00 H ATOM 161 HH21 ARG A 15 13.369 16.206 2.960 1.00 0.00 H ATOM 162 H ARG A 15 7.439 18.265 6.088 1.00 0.00 H ATOM 163 N TYR A 16 6.585 20.890 7.410 1.00 0.00 N ATOM 164 CA TYR A 16 5.709 21.882 8.046 1.00 0.00 C ATOM 165 C TYR A 16 5.487 21.621 9.546 1.00 0.00 C ATOM 166 O TYR A 16 5.352 22.571 10.320 1.00 0.00 O ATOM 167 CB TYR A 16 4.374 21.969 7.303 1.00 0.00 C ATOM 168 CG TYR A 16 3.459 23.012 7.917 1.00 0.00 C ATOM 169 CD1 TYR A 16 3.724 24.381 7.721 1.00 0.00 C ATOM 170 CD2 TYR A 16 2.414 22.618 8.772 1.00 0.00 C ATOM 171 CE1 TYR A 16 2.945 25.354 8.374 1.00 0.00 C ATOM 172 CE2 TYR A 16 1.627 23.587 9.418 1.00 0.00 C ATOM 173 CZ TYR A 16 1.895 24.959 9.231 1.00 0.00 C ATOM 174 OH TYR A 16 1.156 25.892 9.893 1.00 0.00 O ATOM 175 HH TYR A 16 1.474 26.797 9.649 1.00 0.00 H ATOM 176 H TYR A 16 6.145 20.097 6.901 1.00 0.00 H ATOM 177 N LEU A 17 5.570 20.360 9.989 1.00 0.00 N ATOM 178 CA LEU A 17 5.632 20.001 11.408 1.00 0.00 C ATOM 179 C LEU A 17 6.888 20.582 12.084 1.00 0.00 C ATOM 180 O LEU A 17 6.850 20.886 13.276 1.00 0.00 O ATOM 181 CB LEU A 17 5.571 18.465 11.541 1.00 0.00 C ATOM 182 CG LEU A 17 4.158 17.875 11.745 1.00 0.00 C ATOM 183 CD1 LEU A 17 3.041 18.432 10.849 1.00 0.00 C ATOM 184 CD2 LEU A 17 4.206 16.357 11.555 1.00 0.00 C ATOM 185 H LEU A 17 5.592 19.593 9.287 1.00 0.00 H ATOM 186 N ARG A 18 7.953 20.835 11.306 1.00 0.00 N ATOM 187 CA ARG A 18 9.185 21.512 11.731 1.00 0.00 C ATOM 188 C ARG A 18 9.164 23.026 11.472 1.00 0.00 C ATOM 189 O ARG A 18 9.969 23.731 12.076 1.00 0.00 O ATOM 190 CB ARG A 18 10.394 20.827 11.061 1.00 0.00 C ATOM 191 CG ARG A 18 10.935 19.610 11.833 1.00 0.00 C ATOM 192 CD ARG A 18 9.864 18.591 12.242 1.00 0.00 C ATOM 193 NE ARG A 18 10.460 17.337 12.736 1.00 0.00 N ATOM 194 CZ ARG A 18 10.613 16.212 12.038 1.00 0.00 C ATOM 195 NH1 ARG A 18 10.285 16.111 10.766 1.00 0.00 N ATOM 196 NH2 ARG A 18 11.105 15.133 12.611 1.00 0.00 N ATOM 197 HE ARG A 18 10.792 17.329 13.721 1.00 0.00 H ATOM 198 HH12 ARG A 18 10.423 15.211 10.263 1.00 0.00 H ATOM 199 HH11 ARG A 18 9.888 16.931 10.265 1.00 0.00 H ATOM 200 HH22 ARG A 18 11.221 14.259 12.060 1.00 0.00 H ATOM 201 HH21 ARG A 18 11.377 15.155 13.615 1.00 0.00 H ATOM 202 H ARG A 18 7.901 20.524 10.315 1.00 0.00 H ATOM 203 N GLU A 19 8.212 23.560 10.700 1.00 0.00 N ATOM 204 CA GLU A 19 8.033 25.009 10.538 1.00 0.00 C ATOM 205 C GLU A 19 7.489 25.660 11.819 1.00 0.00 C ATOM 206 O GLU A 19 7.851 26.794 12.132 1.00 0.00 O ATOM 207 CB GLU A 19 7.117 25.300 9.336 1.00 0.00 C ATOM 208 CG GLU A 19 7.130 26.790 8.966 1.00 0.00 C ATOM 209 CD GLU A 19 6.212 27.103 7.777 1.00 0.00 C ATOM 210 OE1 GLU A 19 5.276 27.916 7.953 1.00 0.00 O ATOM 211 OE2 GLU A 19 6.443 26.552 6.676 1.00 0.00 O ATOM 212 H GLU A 19 7.569 22.920 10.191 1.00 0.00 H ATOM 213 N GLN A 20 6.676 24.928 12.591 1.00 0.00 N ATOM 214 CA GLN A 20 6.036 25.427 13.811 1.00 0.00 C ATOM 215 C GLN A 20 6.716 24.918 15.093 1.00 0.00 C ATOM 216 O GLN A 20 6.537 25.522 16.152 1.00 0.00 O ATOM 217 CB GLN A 20 4.538 25.079 13.779 1.00 0.00 C ATOM 218 CG GLN A 20 3.837 25.494 12.469 1.00 0.00 C ATOM 219 CD GLN A 20 3.975 26.981 12.139 1.00 0.00 C ATOM 220 OE1 GLN A 20 4.013 27.840 13.016 1.00 0.00 O ATOM 221 NE2 GLN A 20 4.023 27.325 10.861 1.00 0.00 N ATOM 222 HE22 GLN A 20 3.990 26.592 10.124 1.00 0.00 H ATOM 223 HE21 GLN A 20 4.093 28.328 10.595 1.00 0.00 H ATOM 224 H GLN A 20 6.487 23.945 12.307 1.00 0.00 H ATOM 225 N ALA A 21 7.539 23.863 14.996 1.00 0.00 N ATOM 226 CA ALA A 21 8.297 23.298 16.113 1.00 0.00 C ATOM 227 C ALA A 21 9.765 23.766 16.159 1.00 0.00 C ATOM 228 O ALA A 21 10.357 23.768 17.241 1.00 0.00 O ATOM 229 CB ALA A 21 8.202 21.773 16.030 1.00 0.00 C ATOM 230 H ALA A 21 7.646 23.416 14.063 1.00 0.00 H ATOM 231 N THR A 22 10.354 24.156 15.014 1.00 0.00 N ATOM 232 CA THR A 22 11.765 24.583 14.898 1.00 0.00 C ATOM 233 C THR A 22 11.978 25.820 14.002 1.00 0.00 C ATOM 234 O THR A 22 13.116 26.271 13.852 1.00 0.00 O ATOM 235 CB THR A 22 12.682 23.426 14.433 1.00 0.00 C ATOM 236 OG1 THR A 22 12.505 23.121 13.065 1.00 0.00 O ATOM 237 CG2 THR A 22 12.505 22.131 15.231 1.00 0.00 C ATOM 238 HG1 THR A 22 11.565 22.852 12.907 1.00 0.00 H ATOM 239 H THR A 22 9.776 24.157 14.149 1.00 0.00 H ATOM 240 N GLY A 23 10.914 26.384 13.411 1.00 0.00 N ATOM 241 CA GLY A 23 10.974 27.565 12.539 1.00 0.00 C ATOM 242 C GLY A 23 11.370 27.290 11.078 1.00 0.00 C ATOM 243 O GLY A 23 11.469 28.238 10.297 1.00 0.00 O ATOM 244 H GLY A 23 9.982 25.956 13.582 1.00 0.00 H ATOM 245 N ALA A 24 11.613 26.029 10.695 1.00 0.00 N ATOM 246 CA ALA A 24 12.146 25.658 9.384 1.00 0.00 C ATOM 247 C ALA A 24 11.040 25.523 8.319 1.00 0.00 C ATOM 248 O ALA A 24 10.336 24.512 8.275 1.00 0.00 O ATOM 249 CB ALA A 24 12.963 24.367 9.540 1.00 0.00 C ATOM 250 H ALA A 24 11.410 25.266 11.372 1.00 0.00 H ATOM 251 N LYS A 25 10.944 26.511 7.414 1.00 0.00 N ATOM 252 CA LYS A 25 10.015 26.516 6.267 1.00 0.00 C ATOM 253 C LYS A 25 10.591 25.872 4.990 1.00 0.00 C ATOM 254 O LYS A 25 9.909 25.843 3.965 1.00 0.00 O ATOM 255 CB LYS A 25 9.436 27.933 6.059 1.00 0.00 C ATOM 256 CG LYS A 25 10.403 29.011 5.534 1.00 0.00 C ATOM 257 CD LYS A 25 10.374 29.139 4.006 1.00 0.00 C ATOM 258 CE LYS A 25 11.285 30.270 3.524 1.00 0.00 C ATOM 259 NZ LYS A 25 11.324 30.318 2.047 1.00 0.00 N ATOM 260 HZ1 LYS A 25 11.687 29.415 1.681 1.00 0.00 H ATOM 261 HZ2 LYS A 25 10.364 30.480 1.681 1.00 0.00 H ATOM 262 HZ3 LYS A 25 11.948 31.093 1.743 1.00 0.00 H ATOM 263 H LYS A 25 11.570 27.333 7.530 1.00 0.00 H ATOM 264 N ASP A 26 11.808 25.312 5.071 1.00 0.00 N ATOM 265 CA ASP A 26 12.621 24.735 3.989 1.00 0.00 C ATOM 266 C ASP A 26 13.084 25.743 2.914 1.00 0.00 C ATOM 267 O ASP A 26 12.357 26.661 2.538 1.00 0.00 O ATOM 268 CB ASP A 26 11.941 23.489 3.395 1.00 0.00 C ATOM 269 CG ASP A 26 12.822 22.833 2.330 1.00 0.00 C ATOM 270 OD1 ASP A 26 12.576 23.094 1.130 1.00 0.00 O ATOM 271 OD2 ASP A 26 13.771 22.111 2.714 1.00 0.00 O ATOM 272 H ASP A 26 12.231 25.282 6.021 1.00 0.00 H ATOM 273 N THR A 27 14.304 25.547 2.397 1.00 0.00 N ATOM 274 CA THR A 27 14.927 26.383 1.353 1.00 0.00 C ATOM 275 C THR A 27 15.538 25.566 0.199 1.00 0.00 C ATOM 276 O THR A 27 16.085 26.150 -0.741 1.00 0.00 O ATOM 277 CB THR A 27 15.992 27.315 1.966 1.00 0.00 C ATOM 278 OG1 THR A 27 16.995 26.563 2.624 1.00 0.00 O ATOM 279 CG2 THR A 27 15.394 28.310 2.967 1.00 0.00 C ATOM 280 HG1 THR A 27 17.668 27.179 3.010 1.00 0.00 H ATOM 281 H THR A 27 14.855 24.743 2.760 1.00 0.00 H ATOM 282 N LYS A 28 15.446 24.229 0.252 1.00 0.00 N ATOM 283 CA LYS A 28 16.032 23.291 -0.710 1.00 0.00 C ATOM 284 C LYS A 28 14.980 22.231 -1.084 1.00 0.00 C ATOM 285 O LYS A 28 14.666 21.394 -0.232 1.00 0.00 O ATOM 286 CB LYS A 28 17.281 22.632 -0.092 1.00 0.00 C ATOM 287 CG LYS A 28 18.393 23.640 0.253 1.00 0.00 C ATOM 288 CD LYS A 28 19.717 22.961 0.632 1.00 0.00 C ATOM 289 CE LYS A 28 19.574 22.080 1.879 1.00 0.00 C ATOM 290 NZ LYS A 28 20.877 21.523 2.308 1.00 0.00 N ATOM 291 HZ1 LYS A 28 21.274 20.944 1.541 1.00 0.00 H ATOM 292 HZ2 LYS A 28 21.529 22.302 2.530 1.00 0.00 H ATOM 293 HZ3 LYS A 28 20.739 20.933 3.154 1.00 0.00 H ATOM 294 H LYS A 28 14.912 23.822 1.046 1.00 0.00 H ATOM 295 N PRO A 29 14.436 22.231 -2.321 1.00 0.00 N ATOM 296 CA PRO A 29 13.384 21.303 -2.738 1.00 0.00 C ATOM 297 C PRO A 29 13.722 19.834 -2.474 1.00 0.00 C ATOM 298 O PRO A 29 14.876 19.412 -2.579 1.00 0.00 O ATOM 299 CB PRO A 29 13.144 21.558 -4.220 1.00 0.00 C ATOM 300 CG PRO A 29 13.499 23.028 -4.357 1.00 0.00 C ATOM 301 CD PRO A 29 14.646 23.223 -3.365 1.00 0.00 C ATOM 302 N MET A 30 12.695 19.090 -2.068 1.00 0.00 N ATOM 303 CA MET A 30 12.825 17.873 -1.272 1.00 0.00 C ATOM 304 C MET A 30 13.131 16.625 -2.122 1.00 0.00 C ATOM 305 O MET A 30 13.131 16.680 -3.355 1.00 0.00 O ATOM 306 CB MET A 30 11.559 17.708 -0.413 1.00 0.00 C ATOM 307 CG MET A 30 11.269 18.861 0.570 1.00 0.00 C ATOM 308 SD MET A 30 10.658 20.420 -0.142 1.00 0.00 S ATOM 309 CE MET A 30 9.884 21.171 1.312 1.00 0.00 C ATOM 310 H MET A 30 11.738 19.396 -2.335 1.00 0.00 H ATOM 311 N GLY A 31 13.416 15.500 -1.448 1.00 0.00 N ATOM 312 CA GLY A 31 13.955 14.275 -2.044 1.00 0.00 C ATOM 313 C GLY A 31 13.127 13.714 -3.205 1.00 0.00 C ATOM 314 O GLY A 31 11.895 13.750 -3.179 1.00 0.00 O ATOM 315 H GLY A 31 13.241 15.498 -0.423 1.00 0.00 H ATOM 316 N ARG A 32 13.832 13.194 -4.222 1.00 0.00 N ATOM 317 CA ARG A 32 13.292 12.779 -5.526 1.00 0.00 C ATOM 318 C ARG A 32 12.483 13.921 -6.164 1.00 0.00 C ATOM 319 O ARG A 32 13.037 15.002 -6.373 1.00 0.00 O ATOM 320 CB ARG A 32 12.569 11.414 -5.446 1.00 0.00 C ATOM 321 CG ARG A 32 13.420 10.323 -4.779 1.00 0.00 C ATOM 322 CD ARG A 32 12.793 8.936 -4.963 1.00 0.00 C ATOM 323 NE ARG A 32 13.404 7.961 -4.043 1.00 0.00 N ATOM 324 CZ ARG A 32 13.257 6.638 -4.075 1.00 0.00 C ATOM 325 NH1 ARG A 32 12.515 6.034 -4.984 1.00 0.00 N ATOM 326 NH2 ARG A 32 13.865 5.891 -3.175 1.00 0.00 N ATOM 327 HE ARG A 32 14.012 8.345 -3.292 1.00 0.00 H ATOM 328 HH12 ARG A 32 12.424 4.998 -4.977 1.00 0.00 H ATOM 329 HH11 ARG A 32 12.021 6.594 -5.708 1.00 0.00 H ATOM 330 HH22 ARG A 32 13.753 4.857 -3.196 1.00 0.00 H ATOM 331 HH21 ARG A 32 14.456 6.335 -2.444 1.00 0.00 H ATOM 332 H ARG A 32 14.854 13.073 -4.075 1.00 0.00 H ATOM 333 N SER A 33 11.187 13.719 -6.425 1.00 0.00 N ATOM 334 CA SER A 33 10.263 14.796 -6.792 1.00 0.00 C ATOM 335 C SER A 33 9.924 15.621 -5.545 1.00 0.00 C ATOM 336 O SER A 33 9.499 15.066 -4.529 1.00 0.00 O ATOM 337 CB SER A 33 8.997 14.219 -7.436 1.00 0.00 C ATOM 338 OG SER A 33 9.310 13.565 -8.653 1.00 0.00 O ATOM 339 HG SER A 33 8.481 13.200 -9.053 1.00 0.00 H ATOM 340 H SER A 33 10.816 12.749 -6.365 1.00 0.00 H ATOM 341 N GLY A 34 10.126 16.941 -5.613 1.00 0.00 N ATOM 342 CA GLY A 34 9.989 17.835 -4.461 1.00 0.00 C ATOM 343 C GLY A 34 9.852 19.321 -4.802 1.00 0.00 C ATOM 344 O GLY A 34 9.882 20.146 -3.889 1.00 0.00 O ATOM 345 H GLY A 34 10.394 17.353 -6.529 1.00 0.00 H ATOM 346 N ALA A 35 9.659 19.676 -6.080 1.00 0.00 N ATOM 347 CA ALA A 35 9.358 21.045 -6.498 1.00 0.00 C ATOM 348 C ALA A 35 7.948 21.466 -6.050 1.00 0.00 C ATOM 349 O ALA A 35 7.766 22.591 -5.583 1.00 0.00 O ATOM 350 CB ALA A 35 9.516 21.146 -8.019 1.00 0.00 C ATOM 351 H ALA A 35 9.727 18.940 -6.812 1.00 0.00 H ATOM 352 N THR A 36 6.986 20.531 -6.066 1.00 0.00 N ATOM 353 CA THR A 36 5.653 20.705 -5.471 1.00 0.00 C ATOM 354 C THR A 36 5.735 20.781 -3.944 1.00 0.00 C ATOM 355 O THR A 36 4.972 21.531 -3.335 1.00 0.00 O ATOM 356 CB THR A 36 4.728 19.546 -5.880 1.00 0.00 C ATOM 357 OG1 THR A 36 4.703 19.394 -7.285 1.00 0.00 O ATOM 358 CG2 THR A 36 3.290 19.713 -5.383 1.00 0.00 C ATOM 359 HG1 THR A 36 4.371 20.229 -7.700 1.00 0.00 H ATOM 360 H THR A 36 7.197 19.624 -6.529 1.00 0.00 H ATOM 361 N SER A 37 6.693 20.078 -3.321 1.00 0.00 N ATOM 362 CA SER A 37 6.890 20.136 -1.872 1.00 0.00 C ATOM 363 C SER A 37 7.409 21.504 -1.415 1.00 0.00 C ATOM 364 O SER A 37 6.957 22.010 -0.388 1.00 0.00 O ATOM 365 CB SER A 37 7.817 19.017 -1.385 1.00 0.00 C ATOM 366 OG SER A 37 7.336 17.742 -1.757 1.00 0.00 O ATOM 367 HG SER A 37 6.440 17.600 -1.361 1.00 0.00 H ATOM 368 H SER A 37 7.318 19.470 -3.888 1.00 0.00 H ATOM 369 N ARG A 38 8.256 22.154 -2.226 1.00 0.00 N ATOM 370 CA ARG A 38 8.741 23.518 -1.993 1.00 0.00 C ATOM 371 C ARG A 38 7.617 24.551 -2.162 1.00 0.00 C ATOM 372 O ARG A 38 7.466 25.423 -1.305 1.00 0.00 O ATOM 373 CB ARG A 38 9.919 23.778 -2.948 1.00 0.00 C ATOM 374 CG ARG A 38 10.655 25.110 -2.724 1.00 0.00 C ATOM 375 CD ARG A 38 11.544 25.135 -1.468 1.00 0.00 C ATOM 376 NE ARG A 38 10.798 25.506 -0.251 1.00 0.00 N ATOM 377 CZ ARG A 38 10.324 26.720 0.030 1.00 0.00 C ATOM 378 NH1 ARG A 38 10.544 27.755 -0.763 1.00 0.00 N ATOM 379 NH2 ARG A 38 9.613 26.928 1.119 1.00 0.00 N ATOM 380 HE ARG A 38 10.627 24.756 0.449 1.00 0.00 H ATOM 381 HH12 ARG A 38 10.161 28.690 -0.516 1.00 0.00 H ATOM 382 HH11 ARG A 38 11.100 27.634 -1.633 1.00 0.00 H ATOM 383 HH22 ARG A 38 9.248 27.879 1.328 1.00 0.00 H ATOM 384 HH21 ARG A 38 9.416 26.141 1.770 1.00 0.00 H ATOM 385 H ARG A 38 8.591 21.658 -3.076 1.00 0.00 H ATOM 386 N LYS A 39 6.774 24.398 -3.195 1.00 0.00 N ATOM 387 CA LYS A 39 5.608 25.256 -3.469 1.00 0.00 C ATOM 388 C LYS A 39 4.544 25.190 -2.364 1.00 0.00 C ATOM 389 O LYS A 39 3.921 26.206 -2.048 1.00 0.00 O ATOM 390 CB LYS A 39 4.956 24.831 -4.795 1.00 0.00 C ATOM 391 CG LYS A 39 5.742 25.220 -6.054 1.00 0.00 C ATOM 392 CD LYS A 39 5.132 24.513 -7.276 1.00 0.00 C ATOM 393 CE LYS A 39 5.829 24.869 -8.594 1.00 0.00 C ATOM 394 NZ LYS A 39 5.500 26.240 -9.040 1.00 0.00 N ATOM 395 HZ1 LYS A 39 4.473 26.320 -9.183 1.00 0.00 H ATOM 396 HZ2 LYS A 39 5.805 26.921 -8.316 1.00 0.00 H ATOM 397 HZ3 LYS A 39 5.992 26.440 -9.934 1.00 0.00 H ATOM 398 H LYS A 39 6.958 23.614 -3.853 1.00 0.00 H ATOM 399 N ALA A 40 4.340 24.010 -1.770 1.00 0.00 N ATOM 400 CA ALA A 40 3.358 23.783 -0.714 1.00 0.00 C ATOM 401 C ALA A 40 3.833 24.302 0.651 1.00 0.00 C ATOM 402 O ALA A 40 3.016 24.812 1.419 1.00 0.00 O ATOM 403 CB ALA A 40 3.036 22.288 -0.666 1.00 0.00 C ATOM 404 H ALA A 40 4.918 23.202 -2.080 1.00 0.00 H ATOM 405 N LEU A 41 5.146 24.274 0.922 1.00 0.00 N ATOM 406 CA LEU A 41 5.730 24.848 2.137 1.00 0.00 C ATOM 407 C LEU A 41 5.644 26.380 2.155 1.00 0.00 C ATOM 408 O LEU A 41 5.414 26.950 3.221 1.00 0.00 O ATOM 409 CB LEU A 41 7.191 24.379 2.303 1.00 0.00 C ATOM 410 CG LEU A 41 7.417 23.300 3.379 1.00 0.00 C ATOM 411 CD1 LEU A 41 7.100 23.804 4.792 1.00 0.00 C ATOM 412 CD2 LEU A 41 6.609 22.030 3.108 1.00 0.00 C ATOM 413 H LEU A 41 5.782 23.822 0.235 1.00 0.00 H ATOM 414 N GLU A 42 5.728 27.039 0.990 1.00 0.00 N ATOM 415 CA GLU A 42 5.478 28.479 0.868 1.00 0.00 C ATOM 416 C GLU A 42 4.023 28.819 1.218 1.00 0.00 C ATOM 417 O GLU A 42 3.788 29.776 1.952 1.00 0.00 O ATOM 418 CB GLU A 42 5.776 28.970 -0.560 1.00 0.00 C ATOM 419 CG GLU A 42 7.252 28.930 -0.967 1.00 0.00 C ATOM 420 CD GLU A 42 8.090 29.990 -0.242 1.00 0.00 C ATOM 421 OE1 GLU A 42 8.250 31.102 -0.796 1.00 0.00 O ATOM 422 OE2 GLU A 42 8.625 29.682 0.848 1.00 0.00 O ATOM 423 H GLU A 42 5.982 26.505 0.135 1.00 0.00 H ATOM 424 N THR A 43 3.059 28.014 0.745 1.00 0.00 N ATOM 425 CA THR A 43 1.616 28.249 0.921 1.00 0.00 C ATOM 426 C THR A 43 1.174 28.062 2.381 1.00 0.00 C ATOM 427 O THR A 43 0.366 28.849 2.882 1.00 0.00 O ATOM 428 CB THR A 43 0.812 27.317 -0.011 1.00 0.00 C ATOM 429 OG1 THR A 43 1.217 27.476 -1.357 1.00 0.00 O ATOM 430 CG2 THR A 43 -0.695 27.590 0.013 1.00 0.00 C ATOM 431 HG1 THR A 43 2.179 27.256 -1.439 1.00 0.00 H ATOM 432 H THR A 43 3.351 27.166 0.218 1.00 0.00 H ATOM 433 N LEU A 44 1.745 27.075 3.089 1.00 0.00 N ATOM 434 CA LEU A 44 1.402 26.729 4.476 1.00 0.00 C ATOM 435 C LEU A 44 1.833 27.787 5.513 1.00 0.00 C ATOM 436 O LEU A 44 1.324 27.760 6.638 1.00 0.00 O ATOM 437 CB LEU A 44 1.992 25.347 4.816 1.00 0.00 C ATOM 438 CG LEU A 44 1.251 24.154 4.179 1.00 0.00 C ATOM 439 CD1 LEU A 44 2.095 22.880 4.286 1.00 0.00 C ATOM 440 CD2 LEU A 44 -0.099 23.891 4.863 1.00 0.00 C ATOM 441 H LEU A 44 2.485 26.513 2.622 1.00 0.00 H ATOM 442 N ARG A 45 2.657 28.775 5.126 1.00 0.00 N ATOM 443 CA ARG A 45 3.024 29.932 5.962 1.00 0.00 C ATOM 444 C ARG A 45 1.832 30.836 6.314 1.00 0.00 C ATOM 445 O ARG A 45 1.935 31.612 7.267 1.00 0.00 O ATOM 446 CB ARG A 45 4.098 30.780 5.259 1.00 0.00 C ATOM 447 CG ARG A 45 5.419 30.027 5.042 1.00 0.00 C ATOM 448 CD ARG A 45 6.506 30.925 4.443 1.00 0.00 C ATOM 449 NE ARG A 45 6.142 31.426 3.105 1.00 0.00 N ATOM 450 CZ ARG A 45 6.883 32.239 2.354 1.00 0.00 C ATOM 451 NH1 ARG A 45 8.080 32.649 2.734 1.00 0.00 N ATOM 452 NH2 ARG A 45 6.431 32.662 1.193 1.00 0.00 N ATOM 453 HE ARG A 45 5.229 31.118 2.714 1.00 0.00 H ATOM 454 HH12 ARG A 45 8.631 33.284 2.122 1.00 0.00 H ATOM 455 HH11 ARG A 45 8.472 32.337 3.645 1.00 0.00 H ATOM 456 HH22 ARG A 45 7.012 33.297 0.609 1.00 0.00 H ATOM 457 HH21 ARG A 45 5.493 32.362 0.859 1.00 0.00 H ATOM 458 H ARG A 45 3.064 28.720 4.171 1.00 0.00 H ATOM 459 N ARG A 46 0.716 30.737 5.573 1.00 0.00 N ATOM 460 CA ARG A 46 -0.506 31.519 5.795 1.00 0.00 C ATOM 461 C ARG A 46 -1.744 30.639 5.984 1.00 0.00 C ATOM 462 O ARG A 46 -2.513 30.896 6.911 1.00 0.00 O ATOM 463 CB ARG A 46 -0.665 32.526 4.642 1.00 0.00 C ATOM 464 CG ARG A 46 -1.900 33.447 4.681 1.00 0.00 C ATOM 465 CD ARG A 46 -1.880 34.505 5.796 1.00 0.00 C ATOM 466 NE ARG A 46 -2.174 33.928 7.122 1.00 0.00 N ATOM 467 CZ ARG A 46 -1.398 33.960 8.205 1.00 0.00 C ATOM 468 NH1 ARG A 46 -0.265 34.635 8.249 1.00 0.00 N ATOM 469 NH2 ARG A 46 -1.755 33.281 9.276 1.00 0.00 N ATOM 470 HE ARG A 46 -3.088 33.443 7.223 1.00 0.00 H ATOM 471 HH12 ARG A 46 0.309 34.632 9.116 1.00 0.00 H ATOM 472 HH11 ARG A 46 0.054 35.170 7.416 1.00 0.00 H ATOM 473 HH22 ARG A 46 -1.157 33.299 10.127 1.00 0.00 H ATOM 474 HH21 ARG A 46 -2.635 32.727 9.271 1.00 0.00 H ATOM 475 H ARG A 46 0.718 30.058 4.786 1.00 0.00 H ATOM 476 N VAL A 47 -1.936 29.595 5.166 1.00 0.00 N ATOM 477 CA VAL A 47 -3.153 28.766 5.246 1.00 0.00 C ATOM 478 C VAL A 47 -3.089 27.756 6.395 1.00 0.00 C ATOM 479 O VAL A 47 -4.104 27.529 7.053 1.00 0.00 O ATOM 480 CB VAL A 47 -3.520 28.100 3.904 1.00 0.00 C ATOM 481 CG1 VAL A 47 -3.536 29.132 2.772 1.00 0.00 C ATOM 482 CG2 VAL A 47 -2.607 26.937 3.503 1.00 0.00 C ATOM 483 H VAL A 47 -1.210 29.364 4.458 1.00 0.00 H ATOM 484 N GLY A 48 -1.896 27.233 6.709 1.00 0.00 N ATOM 485 CA GLY A 48 -1.660 26.399 7.886 1.00 0.00 C ATOM 486 C GLY A 48 -1.615 27.228 9.172 1.00 0.00 C ATOM 487 O GLY A 48 -2.264 26.873 10.157 1.00 0.00 O ATOM 488 H GLY A 48 -1.092 27.432 6.080 1.00 0.00 H ATOM 489 N ASP A 49 -0.930 28.378 9.142 1.00 0.00 N ATOM 490 CA ASP A 49 -0.749 29.262 10.298 1.00 0.00 C ATOM 491 C ASP A 49 -2.037 29.998 10.710 1.00 0.00 C ATOM 492 O ASP A 49 -2.234 30.274 11.894 1.00 0.00 O ATOM 493 CB ASP A 49 0.366 30.263 9.970 1.00 0.00 C ATOM 494 CG ASP A 49 0.670 31.183 11.158 1.00 0.00 C ATOM 495 OD1 ASP A 49 1.158 30.669 12.191 1.00 0.00 O ATOM 496 OD2 ASP A 49 0.403 32.403 11.046 1.00 0.00 O ATOM 497 H ASP A 49 -0.498 28.663 8.240 1.00 0.00 H ATOM 498 N GLY A 50 -2.944 30.257 9.759 1.00 0.00 N ATOM 499 CA GLY A 50 -4.260 30.843 10.017 1.00 0.00 C ATOM 500 C GLY A 50 -5.217 29.888 10.737 1.00 0.00 C ATOM 501 O GLY A 50 -6.144 30.342 11.406 1.00 0.00 O ATOM 502 H GLY A 50 -2.697 30.027 8.775 1.00 0.00 H ATOM 503 N VAL A 51 -4.951 28.577 10.676 1.00 0.00 N ATOM 504 CA VAL A 51 -5.744 27.530 11.329 1.00 0.00 C ATOM 505 C VAL A 51 -5.168 27.141 12.706 1.00 0.00 C ATOM 506 O VAL A 51 -5.921 26.678 13.565 1.00 0.00 O ATOM 507 CB VAL A 51 -5.933 26.350 10.353 1.00 0.00 C ATOM 508 CG1 VAL A 51 -6.761 25.230 10.981 1.00 0.00 C ATOM 509 CG2 VAL A 51 -6.697 26.795 9.093 1.00 0.00 C ATOM 510 H VAL A 51 -4.121 28.279 10.125 1.00 0.00 H ATOM 511 N GLN A 52 -3.916 27.528 13.002 1.00 0.00 N ATOM 512 CA GLN A 52 -3.359 27.559 14.364 1.00 0.00 C ATOM 513 C GLN A 52 -3.939 28.699 15.233 1.00 0.00 C ATOM 514 O GLN A 52 -3.599 28.798 16.414 1.00 0.00 O ATOM 515 CB GLN A 52 -1.826 27.668 14.320 1.00 0.00 C ATOM 516 CG GLN A 52 -1.136 26.472 13.651 1.00 0.00 C ATOM 517 CD GLN A 52 0.371 26.487 13.905 1.00 0.00 C ATOM 518 OE1 GLN A 52 0.934 25.550 14.466 1.00 0.00 O ATOM 519 NE2 GLN A 52 1.056 27.553 13.514 1.00 0.00 N ATOM 520 HE22 GLN A 52 0.568 28.340 13.040 1.00 0.00 H ATOM 521 HE21 GLN A 52 2.081 27.602 13.681 1.00 0.00 H ATOM 522 H GLN A 52 -3.301 27.825 12.218 1.00 0.00 H ATOM 523 N ARG A 53 -4.815 29.553 14.679 1.00 0.00 N ATOM 524 CA ARG A 53 -5.539 30.608 15.406 1.00 0.00 C ATOM 525 C ARG A 53 -7.063 30.588 15.190 1.00 0.00 C ATOM 526 O ARG A 53 -7.760 31.408 15.791 1.00 0.00 O ATOM 527 CB ARG A 53 -4.910 31.984 15.112 1.00 0.00 C ATOM 528 CG ARG A 53 -4.939 32.372 13.627 1.00 0.00 C ATOM 529 CD ARG A 53 -4.482 33.823 13.433 1.00 0.00 C ATOM 530 NE ARG A 53 -4.288 34.170 12.012 1.00 0.00 N ATOM 531 CZ ARG A 53 -5.233 34.339 11.085 1.00 0.00 C ATOM 532 NH1 ARG A 53 -6.515 34.147 11.337 1.00 0.00 N ATOM 533 NH2 ARG A 53 -4.887 34.709 9.866 1.00 0.00 N ATOM 534 HE ARG A 53 -3.305 34.297 11.698 1.00 0.00 H ATOM 535 HH12 ARG A 53 -7.220 34.290 10.586 1.00 0.00 H ATOM 536 HH11 ARG A 53 -6.820 33.853 12.287 1.00 0.00 H ATOM 537 HH22 ARG A 53 -5.616 34.843 9.137 1.00 0.00 H ATOM 538 HH21 ARG A 53 -3.885 34.866 9.635 1.00 0.00 H ATOM 539 H ARG A 53 -4.995 29.462 13.659 1.00 0.00 H ATOM 540 N ASN A 54 -7.587 29.637 14.403 1.00 0.00 N ATOM 541 CA ASN A 54 -9.026 29.457 14.164 1.00 0.00 C ATOM 542 C ASN A 54 -9.565 28.136 14.742 1.00 0.00 C ATOM 543 O ASN A 54 -10.721 28.103 15.170 1.00 0.00 O ATOM 544 CB ASN A 54 -9.320 29.554 12.655 1.00 0.00 C ATOM 545 CG ASN A 54 -9.106 30.940 12.046 1.00 0.00 C ATOM 546 OD1 ASN A 54 -8.817 31.926 12.721 1.00 0.00 O ATOM 547 ND2 ASN A 54 -9.273 31.047 10.737 1.00 0.00 N ATOM 548 HD22 ASN A 54 -9.517 30.208 10.174 1.00 0.00 H ATOM 549 HD21 ASN A 54 -9.160 31.970 10.272 1.00 0.00 H ATOM 550 H ASN A 54 -6.931 28.983 13.930 1.00 0.00 H ATOM 551 N HIS A 55 -8.748 27.069 14.784 1.00 0.00 N ATOM 552 CA HIS A 55 -9.134 25.731 15.263 1.00 0.00 C ATOM 553 C HIS A 55 -8.223 25.188 16.380 1.00 0.00 C ATOM 554 O HIS A 55 -8.401 24.045 16.803 1.00 0.00 O ATOM 555 CB HIS A 55 -9.228 24.756 14.071 1.00 0.00 C ATOM 556 CG HIS A 55 -10.274 25.104 13.034 1.00 0.00 C ATOM 557 ND1 HIS A 55 -10.192 24.844 11.677 1.00 0.00 N ATOM 558 CD2 HIS A 55 -11.510 25.644 13.268 1.00 0.00 C ATOM 559 CE1 HIS A 55 -11.349 25.221 11.102 1.00 0.00 C ATOM 560 NE2 HIS A 55 -12.164 25.715 12.053 1.00 0.00 N ATOM 561 H HIS A 55 -7.770 27.198 14.454 1.00 0.00 H ATOM 562 N GLU A 56 -7.303 25.995 16.925 1.00 0.00 N ATOM 563 CA GLU A 56 -6.370 25.562 17.978 1.00 0.00 C ATOM 564 C GLU A 56 -7.012 25.436 19.375 1.00 0.00 C ATOM 565 O GLU A 56 -6.453 24.769 20.248 1.00 0.00 O ATOM 566 CB GLU A 56 -5.123 26.456 17.950 1.00 0.00 C ATOM 567 CG GLU A 56 -3.981 25.953 18.847 1.00 0.00 C ATOM 568 CD GLU A 56 -2.651 26.623 18.485 1.00 0.00 C ATOM 569 OE1 GLU A 56 -2.024 26.187 17.490 1.00 0.00 O ATOM 570 OE2 GLU A 56 -2.248 27.572 19.200 1.00 0.00 O ATOM 571 H GLU A 56 -7.245 26.977 16.587 1.00 0.00 H ATOM 572 N THR A 57 -8.243 25.933 19.555 1.00 0.00 N ATOM 573 CA THR A 57 -9.067 25.639 20.739 1.00 0.00 C ATOM 574 C THR A 57 -9.475 24.155 20.769 1.00 0.00 C ATOM 575 O THR A 57 -9.476 23.542 21.839 1.00 0.00 O ATOM 576 CB THR A 57 -10.300 26.561 20.765 1.00 0.00 C ATOM 577 OG1 THR A 57 -9.891 27.916 20.820 1.00 0.00 O ATOM 578 CG2 THR A 57 -11.208 26.324 21.976 1.00 0.00 C ATOM 579 HG1 THR A 57 -10.690 28.500 20.836 1.00 0.00 H ATOM 580 H THR A 57 -8.636 26.557 18.822 1.00 0.00 H ATOM 581 N ALA A 58 -9.714 23.546 19.597 1.00 0.00 N ATOM 582 CA ALA A 58 -9.972 22.113 19.453 1.00 0.00 C ATOM 583 C ALA A 58 -8.682 21.272 19.487 1.00 0.00 C ATOM 584 O ALA A 58 -8.733 20.116 19.914 1.00 0.00 O ATOM 585 CB ALA A 58 -10.766 21.875 18.161 1.00 0.00 C ATOM 586 H ALA A 58 -9.716 24.130 18.736 1.00 0.00 H ATOM 587 N PHE A 59 -7.523 21.844 19.119 1.00 0.00 N ATOM 588 CA PHE A 59 -6.231 21.150 19.181 1.00 0.00 C ATOM 589 C PHE A 59 -5.783 20.944 20.634 1.00 0.00 C ATOM 590 O PHE A 59 -5.318 19.856 20.973 1.00 0.00 O ATOM 591 CB PHE A 59 -5.137 21.918 18.420 1.00 0.00 C ATOM 592 CG PHE A 59 -5.327 22.203 16.935 1.00 0.00 C ATOM 593 CD1 PHE A 59 -4.405 23.056 16.293 1.00 0.00 C ATOM 594 CD2 PHE A 59 -6.385 21.646 16.187 1.00 0.00 C ATOM 595 CE1 PHE A 59 -4.555 23.376 14.933 1.00 0.00 C ATOM 596 CE2 PHE A 59 -6.536 21.969 14.828 1.00 0.00 C ATOM 597 CZ PHE A 59 -5.620 22.830 14.201 1.00 0.00 C ATOM 598 H PHE A 59 -7.542 22.825 18.774 1.00 0.00 H ATOM 599 N GLN A 60 -6.008 21.937 21.508 1.00 0.00 N ATOM 600 CA GLN A 60 -5.761 21.837 22.951 1.00 0.00 C ATOM 601 C GLN A 60 -6.726 20.862 23.640 1.00 0.00 C ATOM 602 O GLN A 60 -6.327 20.183 24.588 1.00 0.00 O ATOM 603 CB GLN A 60 -5.875 23.229 23.598 1.00 0.00 C ATOM 604 CG GLN A 60 -4.726 24.193 23.255 1.00 0.00 C ATOM 605 CD GLN A 60 -3.428 23.914 24.022 1.00 0.00 C ATOM 606 OE1 GLN A 60 -3.043 22.776 24.275 1.00 0.00 O ATOM 607 NE2 GLN A 60 -2.715 24.958 24.417 1.00 0.00 N ATOM 608 HE22 GLN A 60 -3.041 25.922 24.202 1.00 0.00 H ATOM 609 HE21 GLN A 60 -1.829 24.814 24.942 1.00 0.00 H ATOM 610 H GLN A 60 -6.381 22.835 21.139 1.00 0.00 H ATOM 611 N GLY A 61 -7.944 20.693 23.105 1.00 0.00 N ATOM 612 CA GLY A 61 -8.899 19.664 23.529 1.00 0.00 C ATOM 613 C GLY A 61 -8.476 18.226 23.184 1.00 0.00 C ATOM 614 O GLY A 61 -9.142 17.282 23.611 1.00 0.00 O ATOM 615 H GLY A 61 -8.230 21.335 22.338 1.00 0.00 H ATOM 616 N MET A 62 -7.376 18.054 22.438 1.00 0.00 N ATOM 617 CA MET A 62 -6.813 16.769 22.004 1.00 0.00 C ATOM 618 C MET A 62 -5.283 16.705 22.222 1.00 0.00 C ATOM 619 O MET A 62 -4.609 15.867 21.620 1.00 0.00 O ATOM 620 CB MET A 62 -7.174 16.517 20.529 1.00 0.00 C ATOM 621 CG MET A 62 -8.681 16.624 20.232 1.00 0.00 C ATOM 622 SD MET A 62 -9.200 16.330 18.515 1.00 0.00 S ATOM 623 CE MET A 62 -7.887 17.203 17.622 1.00 0.00 C ATOM 624 H MET A 62 -6.873 18.913 22.138 1.00 0.00 H ATOM 625 N LEU A 63 -4.724 17.602 23.050 1.00 0.00 N ATOM 626 CA LEU A 63 -3.286 17.695 23.342 1.00 0.00 C ATOM 627 C LEU A 63 -2.995 18.004 24.821 1.00 0.00 C ATOM 628 O LEU A 63 -1.946 17.601 25.321 1.00 0.00 O ATOM 629 CB LEU A 63 -2.659 18.738 22.399 1.00 0.00 C ATOM 630 CG LEU A 63 -1.120 18.833 22.438 1.00 0.00 C ATOM 631 CD1 LEU A 63 -0.442 17.475 22.216 1.00 0.00 C ATOM 632 CD2 LEU A 63 -0.663 19.820 21.361 1.00 0.00 C ATOM 633 H LEU A 63 -5.355 18.282 23.520 1.00 0.00 H ATOM 634 N ARG A 64 -3.956 18.578 25.558 1.00 0.00 N ATOM 635 CA ARG A 64 -4.005 18.510 27.027 1.00 0.00 C ATOM 636 C ARG A 64 -4.649 17.196 27.498 1.00 0.00 C ATOM 637 O ARG A 64 -4.326 16.707 28.582 1.00 0.00 O ATOM 638 CB ARG A 64 -4.772 19.720 27.588 1.00 0.00 C ATOM 639 CG ARG A 64 -4.119 21.059 27.214 1.00 0.00 C ATOM 640 CD ARG A 64 -4.874 22.226 27.861 1.00 0.00 C ATOM 641 NE ARG A 64 -4.278 23.529 27.514 1.00 0.00 N ATOM 642 CZ ARG A 64 -3.223 24.103 28.094 1.00 0.00 C ATOM 643 NH1 ARG A 64 -2.550 23.517 29.069 1.00 0.00 N ATOM 644 NH2 ARG A 64 -2.826 25.296 27.696 1.00 0.00 N ATOM 645 HE ARG A 64 -4.726 24.055 26.737 1.00 0.00 H ATOM 646 HH12 ARG A 64 -1.732 23.996 29.497 1.00 0.00 H ATOM 647 HH11 ARG A 64 -2.838 22.577 29.408 1.00 0.00 H ATOM 648 HH22 ARG A 64 -2.004 25.747 28.146 1.00 0.00 H ATOM 649 HH21 ARG A 64 -3.335 25.786 26.933 1.00 0.00 H ATOM 650 H ARG A 64 -4.708 19.100 25.065 1.00 0.00 H ATOM 651 N LYS A 65 -5.515 16.604 26.660 1.00 0.00 N ATOM 652 CA LYS A 65 -6.213 15.338 26.900 1.00 0.00 C ATOM 653 C LYS A 65 -5.306 14.129 26.636 1.00 0.00 C ATOM 654 O LYS A 65 -5.229 13.230 27.476 1.00 0.00 O ATOM 655 CB LYS A 65 -7.474 15.320 26.017 1.00 0.00 C ATOM 656 CG LYS A 65 -8.366 14.091 26.258 1.00 0.00 C ATOM 657 CD LYS A 65 -9.582 14.069 25.321 1.00 0.00 C ATOM 658 CE LYS A 65 -10.573 15.196 25.638 1.00 0.00 C ATOM 659 NZ LYS A 65 -11.687 15.226 24.666 1.00 0.00 N ATOM 660 HZ1 LYS A 65 -11.307 15.379 23.710 1.00 0.00 H ATOM 661 HZ2 LYS A 65 -12.197 14.320 24.697 1.00 0.00 H ATOM 662 HZ3 LYS A 65 -12.338 16.000 24.910 1.00 0.00 H ATOM 663 H LYS A 65 -5.708 17.087 25.760 1.00 0.00 H ATOM 664 N LEU A 66 -4.600 14.126 25.499 1.00 0.00 N ATOM 665 CA LEU A 66 -3.686 13.049 25.100 1.00 0.00 C ATOM 666 C LEU A 66 -2.289 13.226 25.717 1.00 0.00 C ATOM 667 O LEU A 66 -1.612 12.229 25.974 1.00 0.00 O ATOM 668 CB LEU A 66 -3.579 12.996 23.563 1.00 0.00 C ATOM 669 CG LEU A 66 -4.721 12.273 22.819 1.00 0.00 C ATOM 670 CD1 LEU A 66 -6.114 12.866 23.057 1.00 0.00 C ATOM 671 CD2 LEU A 66 -4.419 12.305 21.317 1.00 0.00 C ATOM 672 H LEU A 66 -4.706 14.938 24.858 1.00 0.00 H ATOM 673 N ASP A 67 -1.867 14.478 25.953 1.00 0.00 N ATOM 674 CA ASP A 67 -0.541 14.868 26.446 1.00 0.00 C ATOM 675 C ASP A 67 0.598 14.152 25.698 1.00 0.00 C ATOM 676 O ASP A 67 1.344 13.359 26.277 1.00 0.00 O ATOM 677 CB ASP A 67 -0.485 14.760 27.979 1.00 0.00 C ATOM 678 CG ASP A 67 0.769 15.430 28.557 1.00 0.00 C ATOM 679 OD1 ASP A 67 1.104 16.552 28.110 1.00 0.00 O ATOM 680 OD2 ASP A 67 1.397 14.838 29.465 1.00 0.00 O ATOM 681 H ASP A 67 -2.545 15.245 25.769 1.00 0.00 H ATOM 682 N ILE A 68 0.650 14.371 24.377 1.00 0.00 N ATOM 683 CA ILE A 68 1.493 13.638 23.427 1.00 0.00 C ATOM 684 C ILE A 68 2.973 13.942 23.704 1.00 0.00 C ATOM 685 O ILE A 68 3.461 15.037 23.408 1.00 0.00 O ATOM 686 CB ILE A 68 1.068 13.969 21.972 1.00 0.00 C ATOM 687 CG1 ILE A 68 -0.421 13.605 21.742 1.00 0.00 C ATOM 688 CG2 ILE A 68 1.965 13.233 20.960 1.00 0.00 C ATOM 689 CD1 ILE A 68 -0.961 13.902 20.338 1.00 0.00 C ATOM 690 H ILE A 68 0.042 15.123 23.994 1.00 0.00 H ATOM 691 N LYS A 69 3.672 12.964 24.296 1.00 0.00 N ATOM 692 CA LYS A 69 5.054 13.074 24.788 1.00 0.00 C ATOM 693 C LYS A 69 5.912 11.842 24.441 1.00 0.00 C ATOM 694 O LYS A 69 6.997 11.661 25.000 1.00 0.00 O ATOM 695 CB LYS A 69 5.032 13.367 26.302 1.00 0.00 C ATOM 696 CG LYS A 69 4.580 14.805 26.610 1.00 0.00 C ATOM 697 CD LYS A 69 4.691 15.097 28.110 1.00 0.00 C ATOM 698 CE LYS A 69 4.357 16.565 28.381 1.00 0.00 C ATOM 699 NZ LYS A 69 4.195 16.823 29.828 1.00 0.00 N ATOM 700 HZ1 LYS A 69 3.423 16.234 30.200 1.00 0.00 H ATOM 701 HZ2 LYS A 69 5.080 16.589 30.322 1.00 0.00 H ATOM 702 HZ3 LYS A 69 3.969 17.827 29.977 1.00 0.00 H ATOM 703 H LYS A 69 3.196 12.047 24.418 1.00 0.00 H ATOM 704 N ASN A 70 5.432 10.991 23.527 1.00 0.00 N ATOM 705 CA ASN A 70 6.108 9.790 23.032 1.00 0.00 C ATOM 706 C ASN A 70 5.764 9.560 21.553 1.00 0.00 C ATOM 707 O ASN A 70 4.768 10.083 21.047 1.00 0.00 O ATOM 708 CB ASN A 70 5.680 8.559 23.859 1.00 0.00 C ATOM 709 CG ASN A 70 6.005 8.672 25.343 1.00 0.00 C ATOM 710 OD1 ASN A 70 7.124 8.403 25.771 1.00 0.00 O ATOM 711 ND2 ASN A 70 5.038 9.074 26.152 1.00 0.00 N ATOM 712 HD22 ASN A 70 4.098 9.297 25.768 1.00 0.00 H ATOM 713 HD21 ASN A 70 5.218 9.167 27.172 1.00 0.00 H ATOM 714 H ASN A 70 4.493 11.202 23.132 1.00 0.00 H ATOM 715 N GLU A 71 6.512 8.669 20.893 1.00 0.00 N ATOM 716 CA GLU A 71 6.137 8.119 19.586 1.00 0.00 C ATOM 717 C GLU A 71 4.984 7.101 19.689 1.00 0.00 C ATOM 718 O GLU A 71 4.280 6.878 18.706 1.00 0.00 O ATOM 719 CB GLU A 71 7.368 7.526 18.881 1.00 0.00 C ATOM 720 CG GLU A 71 8.037 6.364 19.626 1.00 0.00 C ATOM 721 CD GLU A 71 9.235 5.836 18.828 1.00 0.00 C ATOM 722 OE1 GLU A 71 9.085 4.778 18.172 1.00 0.00 O ATOM 723 OE2 GLU A 71 10.306 6.488 18.855 1.00 0.00 O ATOM 724 H GLU A 71 7.402 8.351 21.327 1.00 0.00 H ATOM 725 N ASP A 72 4.727 6.544 20.881 1.00 0.00 N ATOM 726 CA ASP A 72 3.586 5.664 21.154 1.00 0.00 C ATOM 727 C ASP A 72 2.257 6.437 21.268 1.00 0.00 C ATOM 728 O ASP A 72 1.207 5.906 20.903 1.00 0.00 O ATOM 729 CB ASP A 72 3.876 4.873 22.435 1.00 0.00 C ATOM 730 CG ASP A 72 2.766 3.861 22.744 1.00 0.00 C ATOM 731 OD1 ASP A 72 2.580 2.923 21.934 1.00 0.00 O ATOM 732 OD2 ASP A 72 2.102 4.013 23.795 1.00 0.00 O ATOM 733 H ASP A 72 5.380 6.750 21.664 1.00 0.00 H ATOM 734 N ASP A 73 2.310 7.718 21.661 1.00 0.00 N ATOM 735 CA ASP A 73 1.167 8.642 21.668 1.00 0.00 C ATOM 736 C ASP A 73 0.820 9.174 20.257 1.00 0.00 C ATOM 737 O ASP A 73 -0.076 10.009 20.114 1.00 0.00 O ATOM 738 CB ASP A 73 1.449 9.806 22.637 1.00 0.00 C ATOM 739 CG ASP A 73 1.659 9.383 24.096 1.00 0.00 C ATOM 740 OD1 ASP A 73 2.565 9.960 24.742 1.00 0.00 O ATOM 741 OD2 ASP A 73 0.904 8.511 24.587 1.00 0.00 O ATOM 742 H ASP A 73 3.228 8.085 21.985 1.00 0.00 H ATOM 743 N VAL A 74 1.533 8.706 19.222 1.00 0.00 N ATOM 744 CA VAL A 74 1.454 9.167 17.829 1.00 0.00 C ATOM 745 C VAL A 74 1.163 8.005 16.870 1.00 0.00 C ATOM 746 O VAL A 74 0.328 8.142 15.974 1.00 0.00 O ATOM 747 CB VAL A 74 2.776 9.879 17.469 1.00 0.00 C ATOM 748 CG1 VAL A 74 2.882 10.179 15.974 1.00 0.00 C ATOM 749 CG2 VAL A 74 2.917 11.199 18.239 1.00 0.00 C ATOM 750 H VAL A 74 2.208 7.942 19.425 1.00 0.00 H ATOM 751 N LYS A 75 1.792 6.842 17.085 1.00 0.00 N ATOM 752 CA LYS A 75 1.578 5.626 16.288 1.00 0.00 C ATOM 753 C LYS A 75 0.221 4.969 16.576 1.00 0.00 C ATOM 754 O LYS A 75 -0.340 4.327 15.686 1.00 0.00 O ATOM 755 CB LYS A 75 2.748 4.656 16.527 1.00 0.00 C ATOM 756 CG LYS A 75 4.031 5.165 15.848 1.00 0.00 C ATOM 757 CD LYS A 75 5.244 4.299 16.205 1.00 0.00 C ATOM 758 CE LYS A 75 6.469 4.803 15.437 1.00 0.00 C ATOM 759 NZ LYS A 75 7.674 3.999 15.734 1.00 0.00 N ATOM 760 HZ1 LYS A 75 7.882 4.051 16.752 1.00 0.00 H ATOM 761 HZ2 LYS A 75 7.504 3.009 15.464 1.00 0.00 H ATOM 762 HZ3 LYS A 75 8.480 4.373 15.194 1.00 0.00 H ATOM 763 H LYS A 75 2.476 6.797 17.867 1.00 0.00 H ATOM 764 N SER A 76 -0.366 5.236 17.751 1.00 0.00 N ATOM 765 CA SER A 76 -1.743 4.857 18.095 1.00 0.00 C ATOM 766 C SER A 76 -2.797 5.689 17.344 1.00 0.00 C ATOM 767 O SER A 76 -3.924 5.225 17.159 1.00 0.00 O ATOM 768 CB SER A 76 -1.964 5.008 19.607 1.00 0.00 C ATOM 769 OG SER A 76 -1.088 4.172 20.343 1.00 0.00 O ATOM 770 HG SER A 76 -0.151 4.414 20.136 1.00 0.00 H ATOM 771 H SER A 76 0.190 5.745 18.467 1.00 0.00 H ATOM 772 N LEU A 77 -2.435 6.893 16.875 1.00 0.00 N ATOM 773 CA LEU A 77 -3.324 7.806 16.149 1.00 0.00 C ATOM 774 C LEU A 77 -3.391 7.515 14.639 1.00 0.00 C ATOM 775 O LEU A 77 -4.214 8.111 13.945 1.00 0.00 O ATOM 776 CB LEU A 77 -2.911 9.267 16.409 1.00 0.00 C ATOM 777 CG LEU A 77 -2.814 9.681 17.890 1.00 0.00 C ATOM 778 CD1 LEU A 77 -2.429 11.162 17.975 1.00 0.00 C ATOM 779 CD2 LEU A 77 -4.126 9.459 18.651 1.00 0.00 C ATOM 780 H LEU A 77 -1.455 7.200 17.038 1.00 0.00 H ATOM 781 N SER A 78 -2.578 6.582 14.124 1.00 0.00 N ATOM 782 CA SER A 78 -2.575 6.203 12.703 1.00 0.00 C ATOM 783 C SER A 78 -3.829 5.409 12.294 1.00 0.00 C ATOM 784 O SER A 78 -4.198 5.410 11.118 1.00 0.00 O ATOM 785 CB SER A 78 -1.302 5.414 12.371 1.00 0.00 C ATOM 786 OG SER A 78 -0.143 6.176 12.669 1.00 0.00 O ATOM 787 HG SER A 78 0.664 5.647 12.447 1.00 0.00 H ATOM 788 H SER A 78 -1.914 6.100 14.763 1.00 0.00 H ATOM 789 N ARG A 79 -4.542 4.809 13.261 1.00 0.00 N ATOM 790 CA ARG A 79 -5.870 4.210 13.063 1.00 0.00 C ATOM 791 C ARG A 79 -6.964 5.281 12.967 1.00 0.00 C ATOM 792 O ARG A 79 -7.901 5.128 12.183 1.00 0.00 O ATOM 793 CB ARG A 79 -6.124 3.206 14.206 1.00 0.00 C ATOM 794 CG ARG A 79 -7.462 2.447 14.118 1.00 0.00 C ATOM 795 CD ARG A 79 -8.613 3.158 14.845 1.00 0.00 C ATOM 796 NE ARG A 79 -9.876 2.410 14.715 1.00 0.00 N ATOM 797 CZ ARG A 79 -11.091 2.869 15.016 1.00 0.00 C ATOM 798 NH1 ARG A 79 -11.282 4.092 15.478 1.00 0.00 N ATOM 799 NH2 ARG A 79 -12.145 2.094 14.846 1.00 0.00 N ATOM 800 HE ARG A 79 -9.814 1.436 14.356 1.00 0.00 H ATOM 801 HH12 ARG A 79 -12.243 4.419 15.703 1.00 0.00 H ATOM 802 HH11 ARG A 79 -10.471 4.728 15.617 1.00 0.00 H ATOM 803 HH22 ARG A 79 -13.094 2.449 15.080 1.00 0.00 H ATOM 804 HH21 ARG A 79 -12.027 1.128 14.478 1.00 0.00 H ATOM 805 H ARG A 79 -4.127 4.765 14.214 1.00 0.00 H ATOM 806 N VAL A 80 -6.844 6.362 13.748 1.00 0.00 N ATOM 807 CA VAL A 80 -7.872 7.401 13.897 1.00 0.00 C ATOM 808 C VAL A 80 -8.089 8.169 12.589 1.00 0.00 C ATOM 809 O VAL A 80 -9.238 8.420 12.222 1.00 0.00 O ATOM 810 CB VAL A 80 -7.502 8.364 15.052 1.00 0.00 C ATOM 811 CG1 VAL A 80 -8.550 9.469 15.250 1.00 0.00 C ATOM 812 CG2 VAL A 80 -7.356 7.609 16.384 1.00 0.00 C ATOM 813 H VAL A 80 -5.961 6.474 14.287 1.00 0.00 H ATOM 814 N MET A 81 -7.015 8.486 11.853 1.00 0.00 N ATOM 815 CA MET A 81 -7.086 9.379 10.690 1.00 0.00 C ATOM 816 C MET A 81 -7.693 8.725 9.437 1.00 0.00 C ATOM 817 O MET A 81 -8.114 9.446 8.533 1.00 0.00 O ATOM 818 CB MET A 81 -5.717 10.020 10.396 1.00 0.00 C ATOM 819 CG MET A 81 -5.070 10.668 11.626 1.00 0.00 C ATOM 820 SD MET A 81 -6.136 11.773 12.594 1.00 0.00 S ATOM 821 CE MET A 81 -5.038 12.061 14.004 1.00 0.00 C ATOM 822 H MET A 81 -6.093 8.083 12.117 1.00 0.00 H ATOM 823 N ILE A 82 -7.867 7.395 9.426 1.00 0.00 N ATOM 824 CA ILE A 82 -8.609 6.660 8.388 1.00 0.00 C ATOM 825 C ILE A 82 -10.051 7.194 8.299 1.00 0.00 C ATOM 826 O ILE A 82 -10.579 7.399 7.203 1.00 0.00 O ATOM 827 CB ILE A 82 -8.610 5.140 8.711 1.00 0.00 C ATOM 828 CG1 ILE A 82 -7.172 4.569 8.789 1.00 0.00 C ATOM 829 CG2 ILE A 82 -9.430 4.359 7.663 1.00 0.00 C ATOM 830 CD1 ILE A 82 -7.082 3.137 9.332 1.00 0.00 C ATOM 831 H ILE A 82 -7.449 6.845 10.204 1.00 0.00 H ATOM 832 N HIS A 83 -10.655 7.479 9.459 1.00 0.00 N ATOM 833 CA HIS A 83 -12.043 7.919 9.608 1.00 0.00 C ATOM 834 C HIS A 83 -12.205 9.443 9.480 1.00 0.00 C ATOM 835 O HIS A 83 -13.309 9.918 9.206 1.00 0.00 O ATOM 836 CB HIS A 83 -12.568 7.410 10.960 1.00 0.00 C ATOM 837 CG HIS A 83 -12.289 5.941 11.188 1.00 0.00 C ATOM 838 ND1 HIS A 83 -12.908 4.883 10.516 1.00 0.00 N ATOM 839 CD2 HIS A 83 -11.308 5.440 11.995 1.00 0.00 C ATOM 840 CE1 HIS A 83 -12.284 3.771 10.940 1.00 0.00 C ATOM 841 NE2 HIS A 83 -11.319 4.076 11.825 1.00 0.00 N ATOM 842 H HIS A 83 -10.091 7.379 10.327 1.00 0.00 H ATOM 843 N VAL A 84 -11.111 10.204 9.626 1.00 0.00 N ATOM 844 CA VAL A 84 -11.075 11.665 9.464 1.00 0.00 C ATOM 845 C VAL A 84 -11.066 12.057 7.979 1.00 0.00 C ATOM 846 O VAL A 84 -11.669 13.069 7.613 1.00 0.00 O ATOM 847 CB VAL A 84 -9.855 12.249 10.214 1.00 0.00 C ATOM 848 CG1 VAL A 84 -9.720 13.770 10.045 1.00 0.00 C ATOM 849 CG2 VAL A 84 -9.954 11.955 11.719 1.00 0.00 C ATOM 850 H VAL A 84 -10.221 9.725 9.872 1.00 0.00 H ATOM 851 N PHE A 85 -10.438 11.243 7.118 1.00 0.00 N ATOM 852 CA PHE A 85 -10.343 11.495 5.682 1.00 0.00 C ATOM 853 C PHE A 85 -11.571 10.964 4.929 1.00 0.00 C ATOM 854 O PHE A 85 -12.468 11.741 4.599 1.00 0.00 O ATOM 855 CB PHE A 85 -9.024 10.941 5.115 1.00 0.00 C ATOM 856 CG PHE A 85 -7.748 11.445 5.766 1.00 0.00 C ATOM 857 CD1 PHE A 85 -6.735 10.526 6.102 1.00 0.00 C ATOM 858 CD2 PHE A 85 -7.552 12.819 6.014 1.00 0.00 C ATOM 859 CE1 PHE A 85 -5.543 10.972 6.693 1.00 0.00 C ATOM 860 CE2 PHE A 85 -6.353 13.264 6.598 1.00 0.00 C ATOM 861 CZ PHE A 85 -5.345 12.340 6.928 1.00 0.00 C ATOM 862 H PHE A 85 -9.993 10.382 7.494 1.00 0.00 H ATOM 863 N SER A 86 -11.594 9.659 4.624 1.00 0.00 N ATOM 864 CA SER A 86 -12.399 9.064 3.554 1.00 0.00 C ATOM 865 C SER A 86 -12.139 9.781 2.214 1.00 0.00 C ATOM 866 O SER A 86 -11.066 9.597 1.634 1.00 0.00 O ATOM 867 CB SER A 86 -13.872 8.928 3.974 1.00 0.00 C ATOM 868 OG SER A 86 -14.576 8.091 3.074 1.00 0.00 O ATOM 869 HG SER A 86 -15.520 8.018 3.363 1.00 0.00 H ATOM 870 H SER A 86 -10.996 9.022 5.188 1.00 0.00 H ATOM 871 N ASP A 87 -13.047 10.654 1.754 1.00 0.00 N ATOM 872 CA ASP A 87 -12.833 11.507 0.577 1.00 0.00 C ATOM 873 C ASP A 87 -11.890 12.691 0.867 1.00 0.00 C ATOM 874 O ASP A 87 -11.204 13.161 -0.042 1.00 0.00 O ATOM 875 CB ASP A 87 -14.192 12.013 0.073 1.00 0.00 C ATOM 876 CG ASP A 87 -14.047 12.845 -1.207 1.00 0.00 C ATOM 877 OD1 ASP A 87 -14.119 14.094 -1.116 1.00 0.00 O ATOM 878 OD2 ASP A 87 -13.856 12.237 -2.286 1.00 0.00 O ATOM 879 H ASP A 87 -13.953 10.732 2.258 1.00 0.00 H ATOM 880 N GLY A 88 -11.847 13.166 2.121 1.00 0.00 N ATOM 881 CA GLY A 88 -10.990 14.250 2.614 1.00 0.00 C ATOM 882 C GLY A 88 -11.253 15.635 2.002 1.00 0.00 C ATOM 883 O GLY A 88 -10.514 16.572 2.310 1.00 0.00 O ATOM 884 H GLY A 88 -12.484 12.722 2.812 1.00 0.00 H ATOM 885 N VAL A 89 -12.287 15.759 1.155 1.00 0.00 N ATOM 886 CA VAL A 89 -12.618 16.897 0.285 1.00 0.00 C ATOM 887 C VAL A 89 -11.524 17.189 -0.760 1.00 0.00 C ATOM 888 O VAL A 89 -10.345 17.354 -0.442 1.00 0.00 O ATOM 889 CB VAL A 89 -13.090 18.123 1.100 1.00 0.00 C ATOM 890 CG1 VAL A 89 -13.468 19.305 0.201 1.00 0.00 C ATOM 891 CG2 VAL A 89 -14.321 17.761 1.949 1.00 0.00 C ATOM 892 H VAL A 89 -12.936 14.948 1.108 1.00 0.00 H ATOM 893 N THR A 90 -11.939 17.284 -2.031 1.00 0.00 N ATOM 894 CA THR A 90 -11.053 17.426 -3.204 1.00 0.00 C ATOM 895 C THR A 90 -10.589 18.880 -3.431 1.00 0.00 C ATOM 896 O THR A 90 -9.729 19.132 -4.273 1.00 0.00 O ATOM 897 CB THR A 90 -11.734 16.796 -4.440 1.00 0.00 C ATOM 898 OG1 THR A 90 -12.076 15.450 -4.158 1.00 0.00 O ATOM 899 CG2 THR A 90 -10.870 16.745 -5.706 1.00 0.00 C ATOM 900 HG1 THR A 90 -12.512 15.048 -4.951 1.00 0.00 H ATOM 901 H THR A 90 -12.964 17.256 -2.205 1.00 0.00 H ATOM 902 N ASN A 91 -11.057 19.837 -2.617 1.00 0.00 N ATOM 903 CA ASN A 91 -10.483 21.184 -2.519 1.00 0.00 C ATOM 904 C ASN A 91 -9.156 21.208 -1.729 1.00 0.00 C ATOM 905 O ASN A 91 -8.427 22.199 -1.795 1.00 0.00 O ATOM 906 CB ASN A 91 -11.513 22.129 -1.879 1.00 0.00 C ATOM 907 CG ASN A 91 -12.808 22.220 -2.679 1.00 0.00 C ATOM 908 OD1 ASN A 91 -13.807 21.589 -2.347 1.00 0.00 O ATOM 909 ND2 ASN A 91 -12.809 22.983 -3.761 1.00 0.00 N ATOM 910 HD22 ASN A 91 -11.953 23.510 -4.026 1.00 0.00 H ATOM 911 HD21 ASN A 91 -13.666 23.055 -4.346 1.00 0.00 H ATOM 912 H ASN A 91 -11.877 19.611 -2.018 1.00 0.00 H ATOM 913 N TRP A 92 -8.837 20.124 -1.000 1.00 0.00 N ATOM 914 CA TRP A 92 -7.641 19.914 -0.166 1.00 0.00 C ATOM 915 C TRP A 92 -7.486 20.859 1.046 1.00 0.00 C ATOM 916 O TRP A 92 -6.588 20.649 1.865 1.00 0.00 O ATOM 917 CB TRP A 92 -6.366 19.870 -1.034 1.00 0.00 C ATOM 918 CG TRP A 92 -6.496 19.238 -2.392 1.00 0.00 C ATOM 919 CD1 TRP A 92 -6.578 19.924 -3.554 1.00 0.00 C ATOM 920 CD2 TRP A 92 -6.620 17.826 -2.761 1.00 0.00 C ATOM 921 NE1 TRP A 92 -6.743 19.051 -4.607 1.00 0.00 N ATOM 922 CE2 TRP A 92 -6.820 17.746 -4.172 1.00 0.00 C ATOM 923 CE3 TRP A 92 -6.608 16.604 -2.053 1.00 0.00 C ATOM 924 CZ2 TRP A 92 -7.034 16.530 -4.836 1.00 0.00 C ATOM 925 CZ3 TRP A 92 -6.796 15.373 -2.714 1.00 0.00 C ATOM 926 CH2 TRP A 92 -7.018 15.334 -4.102 1.00 0.00 C ATOM 927 HE1 TRP A 92 -6.802 19.340 -5.604 1.00 0.00 H ATOM 928 H TRP A 92 -9.518 19.338 -1.028 1.00 0.00 H ATOM 929 N GLY A 93 -8.364 21.861 1.206 1.00 0.00 N ATOM 930 CA GLY A 93 -8.309 22.862 2.277 1.00 0.00 C ATOM 931 C GLY A 93 -8.792 22.363 3.646 1.00 0.00 C ATOM 932 O GLY A 93 -8.427 22.940 4.672 1.00 0.00 O ATOM 933 H GLY A 93 -9.142 21.933 0.519 1.00 0.00 H ATOM 934 N ARG A 94 -9.557 21.262 3.680 1.00 0.00 N ATOM 935 CA ARG A 94 -10.047 20.612 4.909 1.00 0.00 C ATOM 936 C ARG A 94 -8.968 19.754 5.586 1.00 0.00 C ATOM 937 O ARG A 94 -8.995 19.578 6.806 1.00 0.00 O ATOM 938 CB ARG A 94 -11.279 19.760 4.556 1.00 0.00 C ATOM 939 CG ARG A 94 -12.485 20.586 4.072 1.00 0.00 C ATOM 940 CD ARG A 94 -13.183 21.381 5.183 1.00 0.00 C ATOM 941 NE ARG A 94 -13.921 20.492 6.100 1.00 0.00 N ATOM 942 CZ ARG A 94 -14.785 20.874 7.039 1.00 0.00 C ATOM 943 NH1 ARG A 94 -15.415 19.961 7.755 1.00 0.00 N ATOM 944 NH2 ARG A 94 -15.024 22.147 7.294 1.00 0.00 N ATOM 945 HE ARG A 94 -13.751 19.471 6.004 1.00 0.00 H ATOM 946 HH12 ARG A 94 -16.091 20.252 8.490 1.00 0.00 H ATOM 947 HH11 ARG A 94 -15.235 18.951 7.584 1.00 0.00 H ATOM 948 HH22 ARG A 94 -15.705 22.410 8.035 1.00 0.00 H ATOM 949 HH21 ARG A 94 -14.531 22.887 6.754 1.00 0.00 H ATOM 950 H ARG A 94 -9.825 20.834 2.771 1.00 0.00 H ATOM 951 N ILE A 95 -7.984 19.290 4.806 1.00 0.00 N ATOM 952 CA ILE A 95 -6.829 18.501 5.255 1.00 0.00 C ATOM 953 C ILE A 95 -5.835 19.393 6.027 1.00 0.00 C ATOM 954 O ILE A 95 -5.149 18.910 6.928 1.00 0.00 O ATOM 955 CB ILE A 95 -6.154 17.814 4.036 1.00 0.00 C ATOM 956 CG1 ILE A 95 -7.178 17.076 3.133 1.00 0.00 C ATOM 957 CG2 ILE A 95 -5.067 16.823 4.501 1.00 0.00 C ATOM 958 CD1 ILE A 95 -6.590 16.552 1.819 1.00 0.00 C ATOM 959 H ILE A 95 -8.042 19.508 3.791 1.00 0.00 H ATOM 960 N VAL A 96 -5.824 20.707 5.750 1.00 0.00 N ATOM 961 CA VAL A 96 -4.937 21.701 6.375 1.00 0.00 C ATOM 962 C VAL A 96 -5.149 21.794 7.893 1.00 0.00 C ATOM 963 O VAL A 96 -4.186 22.045 8.618 1.00 0.00 O ATOM 964 CB VAL A 96 -5.132 23.086 5.715 1.00 0.00 C ATOM 965 CG1 VAL A 96 -4.204 24.160 6.300 1.00 0.00 C ATOM 966 CG2 VAL A 96 -4.862 23.032 4.204 1.00 0.00 C ATOM 967 H VAL A 96 -6.497 21.050 5.035 1.00 0.00 H ATOM 968 N THR A 97 -6.357 21.513 8.399 1.00 0.00 N ATOM 969 CA THR A 97 -6.639 21.522 9.841 1.00 0.00 C ATOM 970 C THR A 97 -5.983 20.342 10.572 1.00 0.00 C ATOM 971 O THR A 97 -5.583 20.507 11.724 1.00 0.00 O ATOM 972 CB THR A 97 -8.152 21.585 10.118 1.00 0.00 C ATOM 973 OG1 THR A 97 -8.748 22.635 9.379 1.00 0.00 O ATOM 974 CG2 THR A 97 -8.432 21.846 11.603 1.00 0.00 C ATOM 975 HG1 THR A 97 -9.719 22.661 9.569 1.00 0.00 H ATOM 976 H THR A 97 -7.129 21.278 7.743 1.00 0.00 H ATOM 977 N LEU A 98 -5.760 19.203 9.899 1.00 0.00 N ATOM 978 CA LEU A 98 -4.983 18.091 10.454 1.00 0.00 C ATOM 979 C LEU A 98 -3.467 18.337 10.354 1.00 0.00 C ATOM 980 O LEU A 98 -2.722 17.931 11.245 1.00 0.00 O ATOM 981 CB LEU A 98 -5.367 16.772 9.759 1.00 0.00 C ATOM 982 CG LEU A 98 -4.919 15.527 10.556 1.00 0.00 C ATOM 983 CD1 LEU A 98 -5.660 15.331 11.885 1.00 0.00 C ATOM 984 CD2 LEU A 98 -5.141 14.273 9.715 1.00 0.00 C ATOM 985 H LEU A 98 -6.156 19.105 8.942 1.00 0.00 H ATOM 986 N ILE A 99 -3.014 19.043 9.310 1.00 0.00 N ATOM 987 CA ILE A 99 -1.603 19.384 9.084 1.00 0.00 C ATOM 988 C ILE A 99 -1.125 20.426 10.113 1.00 0.00 C ATOM 989 O ILE A 99 -0.020 20.296 10.644 1.00 0.00 O ATOM 990 CB ILE A 99 -1.422 19.845 7.614 1.00 0.00 C ATOM 991 CG1 ILE A 99 -1.674 18.659 6.651 1.00 0.00 C ATOM 992 CG2 ILE A 99 -0.027 20.450 7.371 1.00 0.00 C ATOM 993 CD1 ILE A 99 -1.773 19.058 5.172 1.00 0.00 C ATOM 994 H ILE A 99 -3.709 19.373 8.611 1.00 0.00 H ATOM 995 N SER A 100 -1.982 21.392 10.468 1.00 0.00 N ATOM 996 CA SER A 100 -1.724 22.409 11.498 1.00 0.00 C ATOM 997 C SER A 100 -2.008 21.925 12.927 1.00 0.00 C ATOM 998 O SER A 100 -1.378 22.424 13.862 1.00 0.00 O ATOM 999 CB SER A 100 -2.484 23.701 11.176 1.00 0.00 C ATOM 1000 OG SER A 100 -3.878 23.485 11.079 1.00 0.00 O ATOM 1001 HG SER A 100 -4.060 22.831 10.359 1.00 0.00 H ATOM 1002 H SER A 100 -2.899 21.425 9.978 1.00 0.00 H ATOM 1003 N PHE A 101 -2.834 20.881 13.099 1.00 0.00 N ATOM 1004 CA PHE A 101 -2.930 20.134 14.354 1.00 0.00 C ATOM 1005 C PHE A 101 -1.624 19.376 14.616 1.00 0.00 C ATOM 1006 O PHE A 101 -1.049 19.512 15.694 1.00 0.00 O ATOM 1007 CB PHE A 101 -4.127 19.170 14.314 1.00 0.00 C ATOM 1008 CG PHE A 101 -4.123 18.131 15.421 1.00 0.00 C ATOM 1009 CD1 PHE A 101 -3.888 16.779 15.110 1.00 0.00 C ATOM 1010 CD2 PHE A 101 -4.289 18.518 16.764 1.00 0.00 C ATOM 1011 CE1 PHE A 101 -3.791 15.825 16.139 1.00 0.00 C ATOM 1012 CE2 PHE A 101 -4.215 17.563 17.793 1.00 0.00 C ATOM 1013 CZ PHE A 101 -3.962 16.215 17.480 1.00 0.00 C ATOM 1014 H PHE A 101 -3.435 20.589 12.302 1.00 0.00 H ATOM 1015 N GLY A 102 -1.099 18.669 13.606 1.00 0.00 N ATOM 1016 CA GLY A 102 0.166 17.945 13.691 1.00 0.00 C ATOM 1017 C GLY A 102 1.360 18.866 13.951 1.00 0.00 C ATOM 1018 O GLY A 102 2.249 18.501 14.716 1.00 0.00 O ATOM 1019 H GLY A 102 -1.624 18.634 12.709 1.00 0.00 H ATOM 1020 N ALA A 103 1.344 20.093 13.419 1.00 0.00 N ATOM 1021 CA ALA A 103 2.409 21.072 13.623 1.00 0.00 C ATOM 1022 C ALA A 103 2.410 21.678 15.040 1.00 0.00 C ATOM 1023 O ALA A 103 3.474 22.036 15.551 1.00 0.00 O ATOM 1024 CB ALA A 103 2.286 22.144 12.539 1.00 0.00 C ATOM 1025 H ALA A 103 0.531 20.364 12.830 1.00 0.00 H ATOM 1026 N PHE A 104 1.250 21.707 15.707 1.00 0.00 N ATOM 1027 CA PHE A 104 1.100 22.131 17.101 1.00 0.00 C ATOM 1028 C PHE A 104 1.391 20.991 18.098 1.00 0.00 C ATOM 1029 O PHE A 104 1.912 21.244 19.186 1.00 0.00 O ATOM 1030 CB PHE A 104 -0.312 22.706 17.274 1.00 0.00 C ATOM 1031 CG PHE A 104 -0.577 23.318 18.635 1.00 0.00 C ATOM 1032 CD1 PHE A 104 -1.559 22.769 19.479 1.00 0.00 C ATOM 1033 CD2 PHE A 104 0.150 24.450 19.053 1.00 0.00 C ATOM 1034 CE1 PHE A 104 -1.824 23.355 20.728 1.00 0.00 C ATOM 1035 CE2 PHE A 104 -0.109 25.032 20.305 1.00 0.00 C ATOM 1036 CZ PHE A 104 -1.099 24.487 21.141 1.00 0.00 C ATOM 1037 H PHE A 104 0.394 21.407 15.199 1.00 0.00 H ATOM 1038 N VAL A 105 1.169 19.732 17.697 1.00 0.00 N ATOM 1039 CA VAL A 105 1.593 18.531 18.432 1.00 0.00 C ATOM 1040 C VAL A 105 3.117 18.354 18.346 1.00 0.00 C ATOM 1041 O VAL A 105 3.749 18.011 19.346 1.00 0.00 O ATOM 1042 CB VAL A 105 0.844 17.296 17.888 1.00 0.00 C ATOM 1043 CG1 VAL A 105 1.383 15.981 18.469 1.00 0.00 C ATOM 1044 CG2 VAL A 105 -0.656 17.355 18.207 1.00 0.00 C ATOM 1045 H VAL A 105 0.660 19.594 16.801 1.00 0.00 H ATOM 1046 N ALA A 106 3.727 18.684 17.201 1.00 0.00 N ATOM 1047 CA ALA A 106 5.176 18.682 17.002 1.00 0.00 C ATOM 1048 C ALA A 106 5.881 19.754 17.850 1.00 0.00 C ATOM 1049 O ALA A 106 7.009 19.541 18.296 1.00 0.00 O ATOM 1050 CB ALA A 106 5.456 18.894 15.511 1.00 0.00 C ATOM 1051 H ALA A 106 3.129 18.961 16.397 1.00 0.00 H ATOM 1052 N LYS A 107 5.194 20.869 18.138 1.00 0.00 N ATOM 1053 CA LYS A 107 5.671 21.950 19.006 1.00 0.00 C ATOM 1054 C LYS A 107 5.644 21.554 20.493 1.00 0.00 C ATOM 1055 O LYS A 107 6.555 21.925 21.234 1.00 0.00 O ATOM 1056 CB LYS A 107 4.822 23.197 18.711 1.00 0.00 C ATOM 1057 CG LYS A 107 5.386 24.482 19.329 1.00 0.00 C ATOM 1058 CD LYS A 107 4.493 25.673 18.958 1.00 0.00 C ATOM 1059 CE LYS A 107 5.103 26.980 19.470 1.00 0.00 C ATOM 1060 NZ LYS A 107 4.270 28.144 19.097 1.00 0.00 N ATOM 1061 HZ1 LYS A 107 4.194 28.197 18.061 1.00 0.00 H ATOM 1062 HZ2 LYS A 107 3.322 28.037 19.510 1.00 0.00 H ATOM 1063 HZ3 LYS A 107 4.710 29.014 19.459 1.00 0.00 H ATOM 1064 H LYS A 107 4.251 20.975 17.713 1.00 0.00 H ATOM 1065 N HIS A 108 4.690 20.706 20.903 1.00 0.00 N ATOM 1066 CA HIS A 108 4.632 20.107 22.245 1.00 0.00 C ATOM 1067 C HIS A 108 5.656 18.973 22.426 1.00 0.00 C ATOM 1068 O HIS A 108 6.171 18.781 23.528 1.00 0.00 O ATOM 1069 CB HIS A 108 3.201 19.618 22.517 1.00 0.00 C ATOM 1070 CG HIS A 108 2.963 19.165 23.939 1.00 0.00 C ATOM 1071 ND1 HIS A 108 3.241 19.920 25.084 1.00 0.00 N ATOM 1072 CD2 HIS A 108 2.400 17.980 24.319 1.00 0.00 C ATOM 1073 CE1 HIS A 108 2.840 19.167 26.121 1.00 0.00 C ATOM 1074 NE2 HIS A 108 2.331 18.000 25.693 1.00 0.00 N ATOM 1075 H HIS A 108 3.941 20.455 20.227 1.00 0.00 H ATOM 1076 N LEU A 109 6.039 18.297 21.336 1.00 0.00 N ATOM 1077 CA LEU A 109 7.128 17.318 21.317 1.00 0.00 C ATOM 1078 C LEU A 109 8.513 17.990 21.328 1.00 0.00 C ATOM 1079 O LEU A 109 9.442 17.413 21.890 1.00 0.00 O ATOM 1080 CB LEU A 109 6.947 16.377 20.111 1.00 0.00 C ATOM 1081 CG LEU A 109 5.789 15.370 20.286 1.00 0.00 C ATOM 1082 CD1 LEU A 109 5.457 14.716 18.942 1.00 0.00 C ATOM 1083 CD2 LEU A 109 6.147 14.270 21.294 1.00 0.00 C ATOM 1084 H LEU A 109 5.531 18.478 20.447 1.00 0.00 H ATOM 1085 N LYS A 110 8.641 19.237 20.845 1.00 0.00 N ATOM 1086 CA LYS A 110 9.852 20.063 20.994 1.00 0.00 C ATOM 1087 C LYS A 110 9.921 20.848 22.311 1.00 0.00 C ATOM 1088 O LYS A 110 10.999 21.339 22.652 1.00 0.00 O ATOM 1089 CB LYS A 110 10.038 20.987 19.775 1.00 0.00 C ATOM 1090 CG LYS A 110 10.731 20.304 18.584 1.00 0.00 C ATOM 1091 CD LYS A 110 12.154 19.814 18.917 1.00 0.00 C ATOM 1092 CE LYS A 110 12.986 19.496 17.673 1.00 0.00 C ATOM 1093 NZ LYS A 110 12.341 18.477 16.819 1.00 0.00 N ATOM 1094 HZ1 LYS A 110 12.219 17.598 17.362 1.00 0.00 H ATOM 1095 HZ2 LYS A 110 11.412 18.825 16.508 1.00 0.00 H ATOM 1096 HZ3 LYS A 110 12.940 18.293 15.989 1.00 0.00 H ATOM 1097 H LYS A 110 7.833 19.646 20.333 1.00 0.00 H ATOM 1098 N THR A 111 8.853 20.851 23.118 1.00 0.00 N ATOM 1099 CA THR A 111 8.907 21.301 24.520 1.00 0.00 C ATOM 1100 C THR A 111 9.690 20.297 25.389 1.00 0.00 C ATOM 1101 O THR A 111 10.330 20.700 26.362 1.00 0.00 O ATOM 1102 CB THR A 111 7.483 21.547 25.056 1.00 0.00 C ATOM 1103 OG1 THR A 111 6.830 22.517 24.255 1.00 0.00 O ATOM 1104 CG2 THR A 111 7.453 22.070 26.495 1.00 0.00 C ATOM 1105 HG1 THR A 111 6.778 22.191 23.322 1.00 0.00 H ATOM 1106 H THR A 111 7.943 20.520 22.738 1.00 0.00 H ATOM 1107 N ILE A 112 9.742 19.022 24.970 1.00 0.00 N ATOM 1108 CA ILE A 112 10.577 17.955 25.547 1.00 0.00 C ATOM 1109 C ILE A 112 11.727 17.516 24.611 1.00 0.00 C ATOM 1110 O ILE A 112 12.390 16.510 24.871 1.00 0.00 O ATOM 1111 CB ILE A 112 9.696 16.779 26.028 1.00 0.00 C ATOM 1112 CG1 ILE A 112 8.941 16.119 24.854 1.00 0.00 C ATOM 1113 CG2 ILE A 112 8.734 17.252 27.135 1.00 0.00 C ATOM 1114 CD1 ILE A 112 8.247 14.816 25.246 1.00 0.00 C ATOM 1115 H ILE A 112 9.137 18.765 24.164 1.00 0.00 H ATOM 1116 N ASN A 113 11.990 18.291 23.548 1.00 0.00 N ATOM 1117 CA ASN A 113 13.097 18.142 22.593 1.00 0.00 C ATOM 1118 C ASN A 113 13.185 16.772 21.881 1.00 0.00 C ATOM 1119 O ASN A 113 14.272 16.339 21.489 1.00 0.00 O ATOM 1120 CB ASN A 113 14.416 18.620 23.232 1.00 0.00 C ATOM 1121 CG ASN A 113 14.335 20.070 23.694 1.00 0.00 C ATOM 1122 OD1 ASN A 113 14.499 20.995 22.905 1.00 0.00 O ATOM 1123 ND2 ASN A 113 14.047 20.299 24.967 1.00 0.00 N ATOM 1124 HD22 ASN A 113 13.911 19.502 25.621 1.00 0.00 H ATOM 1125 HD21 ASN A 113 13.956 21.276 25.312 1.00 0.00 H ATOM 1126 H ASN A 113 11.339 19.085 23.381 1.00 0.00 H ATOM 1127 N GLN A 114 12.043 16.106 21.669 1.00 0.00 N ATOM 1128 CA GLN A 114 11.920 14.896 20.848 1.00 0.00 C ATOM 1129 C GLN A 114 11.792 15.237 19.355 1.00 0.00 C ATOM 1130 O GLN A 114 11.311 16.311 18.982 1.00 0.00 O ATOM 1131 CB GLN A 114 10.727 14.047 21.319 1.00 0.00 C ATOM 1132 CG GLN A 114 10.991 13.394 22.687 1.00 0.00 C ATOM 1133 CD GLN A 114 9.840 12.510 23.173 1.00 0.00 C ATOM 1134 OE1 GLN A 114 8.797 12.377 22.539 1.00 0.00 O ATOM 1135 NE2 GLN A 114 10.008 11.877 24.324 1.00 0.00 N ATOM 1136 HE22 GLN A 114 10.893 11.993 24.857 1.00 0.00 H ATOM 1137 HE21 GLN A 114 9.254 11.264 24.695 1.00 0.00 H ATOM 1138 H GLN A 114 11.180 16.473 22.119 1.00 0.00 H ATOM 1139 N GLU A 115 12.211 14.300 18.495 1.00 0.00 N ATOM 1140 CA GLU A 115 12.163 14.433 17.031 1.00 0.00 C ATOM 1141 C GLU A 115 11.870 13.103 16.315 1.00 0.00 C ATOM 1142 O GLU A 115 11.224 13.111 15.265 1.00 0.00 O ATOM 1143 CB GLU A 115 13.489 15.051 16.557 1.00 0.00 C ATOM 1144 CG GLU A 115 13.430 15.489 15.089 1.00 0.00 C ATOM 1145 CD GLU A 115 14.575 16.449 14.753 1.00 0.00 C ATOM 1146 OE1 GLU A 115 14.337 17.678 14.814 1.00 0.00 O ATOM 1147 OE2 GLU A 115 15.690 15.968 14.444 1.00 0.00 O ATOM 1148 H GLU A 115 12.597 13.418 18.889 1.00 0.00 H ATOM 1149 N SER A 116 12.209 11.963 16.936 1.00 0.00 N ATOM 1150 CA SER A 116 11.797 10.619 16.495 1.00 0.00 C ATOM 1151 C SER A 116 10.318 10.315 16.794 1.00 0.00 C ATOM 1152 O SER A 116 9.805 9.281 16.364 1.00 0.00 O ATOM 1153 CB SER A 116 12.700 9.558 17.136 1.00 0.00 C ATOM 1154 OG SER A 116 14.043 9.723 16.715 1.00 0.00 O ATOM 1155 HG SER A 116 14.608 9.030 17.139 1.00 0.00 H ATOM 1156 H SER A 116 12.803 12.033 17.787 1.00 0.00 H ATOM 1157 N SER A 117 9.620 11.232 17.479 1.00 0.00 N ATOM 1158 CA SER A 117 8.168 11.228 17.695 1.00 0.00 C ATOM 1159 C SER A 117 7.415 12.096 16.672 1.00 0.00 C ATOM 1160 O SER A 117 6.190 12.009 16.592 1.00 0.00 O ATOM 1161 CB SER A 117 7.870 11.711 19.120 1.00 0.00 C ATOM 1162 OG SER A 117 8.569 10.935 20.077 1.00 0.00 O ATOM 1163 HG SER A 117 8.359 11.267 20.986 1.00 0.00 H ATOM 1164 H SER A 117 10.157 12.019 17.896 1.00 0.00 H ATOM 1165 N ILE A 118 8.133 12.908 15.880 1.00 0.00 N ATOM 1166 CA ILE A 118 7.582 13.828 14.873 1.00 0.00 C ATOM 1167 C ILE A 118 7.719 13.238 13.451 1.00 0.00 C ATOM 1168 O ILE A 118 6.892 13.524 12.583 1.00 0.00 O ATOM 1169 CB ILE A 118 8.232 15.229 15.017 1.00 0.00 C ATOM 1170 CG1 ILE A 118 8.121 15.772 16.466 1.00 0.00 C ATOM 1171 CG2 ILE A 118 7.571 16.217 14.038 1.00 0.00 C ATOM 1172 CD1 ILE A 118 8.897 17.071 16.719 1.00 0.00 C ATOM 1173 H ILE A 118 9.167 12.885 15.988 1.00 0.00 H ATOM 1174 N GLU A 119 8.669 12.318 13.232 1.00 0.00 N ATOM 1175 CA GLU A 119 8.739 11.481 12.029 1.00 0.00 C ATOM 1176 C GLU A 119 7.488 10.591 11.853 1.00 0.00 C ATOM 1177 O GLU A 119 6.867 10.681 10.789 1.00 0.00 O ATOM 1178 CB GLU A 119 10.029 10.638 12.032 1.00 0.00 C ATOM 1179 CG GLU A 119 11.307 11.457 11.808 1.00 0.00 C ATOM 1180 CD GLU A 119 11.352 12.082 10.408 1.00 0.00 C ATOM 1181 OE1 GLU A 119 11.623 11.343 9.433 1.00 0.00 O ATOM 1182 OE2 GLU A 119 11.111 13.307 10.302 1.00 0.00 O ATOM 1183 H GLU A 119 9.401 12.190 13.959 1.00 0.00 H ATOM 1184 N PRO A 120 7.023 9.818 12.863 1.00 0.00 N ATOM 1185 CA PRO A 120 5.786 9.045 12.759 1.00 0.00 C ATOM 1186 C PRO A 120 4.517 9.908 12.839 1.00 0.00 C ATOM 1187 O PRO A 120 3.447 9.414 12.491 1.00 0.00 O ATOM 1188 CB PRO A 120 5.842 8.022 13.898 1.00 0.00 C ATOM 1189 CG PRO A 120 6.657 8.743 14.965 1.00 0.00 C ATOM 1190 CD PRO A 120 7.680 9.501 14.124 1.00 0.00 C ATOM 1191 N LEU A 121 4.611 11.183 13.245 1.00 0.00 N ATOM 1192 CA LEU A 121 3.479 12.116 13.259 1.00 0.00 C ATOM 1193 C LEU A 121 3.145 12.611 11.849 1.00 0.00 C ATOM 1194 O LEU A 121 1.968 12.747 11.509 1.00 0.00 O ATOM 1195 CB LEU A 121 3.808 13.285 14.201 1.00 0.00 C ATOM 1196 CG LEU A 121 2.659 14.277 14.452 1.00 0.00 C ATOM 1197 CD1 LEU A 121 1.442 13.647 15.139 1.00 0.00 C ATOM 1198 CD2 LEU A 121 3.205 15.398 15.336 1.00 0.00 C ATOM 1199 H LEU A 121 5.537 11.529 13.568 1.00 0.00 H ATOM 1200 N ALA A 122 4.168 12.783 11.006 1.00 0.00 N ATOM 1201 CA ALA A 122 4.000 13.087 9.592 1.00 0.00 C ATOM 1202 C ALA A 122 3.430 11.886 8.819 1.00 0.00 C ATOM 1203 O ALA A 122 2.630 12.082 7.907 1.00 0.00 O ATOM 1204 CB ALA A 122 5.351 13.534 9.031 1.00 0.00 C ATOM 1205 H ALA A 122 5.135 12.695 11.380 1.00 0.00 H ATOM 1206 N GLU A 123 3.750 10.651 9.230 1.00 0.00 N ATOM 1207 CA GLU A 123 3.206 9.417 8.647 1.00 0.00 C ATOM 1208 C GLU A 123 1.786 9.105 9.150 1.00 0.00 C ATOM 1209 O GLU A 123 0.959 8.625 8.375 1.00 0.00 O ATOM 1210 CB GLU A 123 4.133 8.236 8.963 1.00 0.00 C ATOM 1211 CG GLU A 123 5.505 8.352 8.291 1.00 0.00 C ATOM 1212 CD GLU A 123 6.385 7.158 8.678 1.00 0.00 C ATOM 1213 OE1 GLU A 123 6.326 6.122 7.974 1.00 0.00 O ATOM 1214 OE2 GLU A 123 7.116 7.262 9.691 1.00 0.00 O ATOM 1215 H GLU A 123 4.428 10.560 10.013 1.00 0.00 H ATOM 1216 N SER A 124 1.465 9.445 10.405 1.00 0.00 N ATOM 1217 CA SER A 124 0.124 9.296 10.986 1.00 0.00 C ATOM 1218 C SER A 124 -0.911 10.171 10.260 1.00 0.00 C ATOM 1219 O SER A 124 -2.094 9.825 10.219 1.00 0.00 O ATOM 1220 CB SER A 124 0.186 9.649 12.478 1.00 0.00 C ATOM 1221 OG SER A 124 -1.046 9.386 13.121 1.00 0.00 O ATOM 1222 HG SER A 124 -1.759 9.927 12.699 1.00 0.00 H ATOM 1223 H SER A 124 2.214 9.841 11.008 1.00 0.00 H ATOM 1224 N ILE A 125 -0.448 11.245 9.607 1.00 0.00 N ATOM 1225 CA ILE A 125 -1.227 12.075 8.693 1.00 0.00 C ATOM 1226 C ILE A 125 -1.135 11.506 7.268 1.00 0.00 C ATOM 1227 O ILE A 125 -2.164 11.152 6.696 1.00 0.00 O ATOM 1228 CB ILE A 125 -0.767 13.551 8.792 1.00 0.00 C ATOM 1229 CG1 ILE A 125 -1.021 14.098 10.217 1.00 0.00 C ATOM 1230 CG2 ILE A 125 -1.490 14.419 7.742 1.00 0.00 C ATOM 1231 CD1 ILE A 125 -0.405 15.476 10.486 1.00 0.00 C ATOM 1232 H ILE A 125 0.546 11.509 9.764 1.00 0.00 H ATOM 1233 N THR A 126 0.069 11.421 6.685 1.00 0.00 N ATOM 1234 CA THR A 126 0.245 11.326 5.225 1.00 0.00 C ATOM 1235 C THR A 126 0.217 9.895 4.686 1.00 0.00 C ATOM 1236 O THR A 126 -0.341 9.670 3.611 1.00 0.00 O ATOM 1237 CB THR A 126 1.543 12.009 4.755 1.00 0.00 C ATOM 1238 OG1 THR A 126 1.820 13.192 5.474 1.00 0.00 O ATOM 1239 CG2 THR A 126 1.452 12.395 3.277 1.00 0.00 C ATOM 1240 HG1 THR A 126 1.918 12.977 6.435 1.00 0.00 H ATOM 1241 H THR A 126 0.916 11.422 7.289 1.00 0.00 H ATOM 1242 N ASP A 127 0.763 8.915 5.418 1.00 0.00 N ATOM 1243 CA ASP A 127 0.693 7.501 5.023 1.00 0.00 C ATOM 1244 C ASP A 127 -0.748 6.969 5.112 1.00 0.00 C ATOM 1245 O ASP A 127 -1.128 6.077 4.353 1.00 0.00 O ATOM 1246 CB ASP A 127 1.633 6.649 5.888 1.00 0.00 C ATOM 1247 CG ASP A 127 1.863 5.263 5.271 1.00 0.00 C ATOM 1248 OD1 ASP A 127 2.415 5.196 4.147 1.00 0.00 O ATOM 1249 OD2 ASP A 127 1.500 4.260 5.926 1.00 0.00 O ATOM 1250 H ASP A 127 1.255 9.164 6.300 1.00 0.00 H ATOM 1251 N VAL A 128 -1.562 7.579 5.983 1.00 0.00 N ATOM 1252 CA VAL A 128 -2.987 7.290 6.173 1.00 0.00 C ATOM 1253 C VAL A 128 -3.857 8.087 5.183 1.00 0.00 C ATOM 1254 O VAL A 128 -4.913 7.608 4.763 1.00 0.00 O ATOM 1255 CB VAL A 128 -3.375 7.572 7.642 1.00 0.00 C ATOM 1256 CG1 VAL A 128 -4.809 7.106 7.920 1.00 0.00 C ATOM 1257 CG2 VAL A 128 -2.451 6.853 8.642 1.00 0.00 C ATOM 1258 H VAL A 128 -1.146 8.324 6.578 1.00 0.00 H ATOM 1259 N LEU A 129 -3.383 9.251 4.716 1.00 0.00 N ATOM 1260 CA LEU A 129 -4.035 10.033 3.665 1.00 0.00 C ATOM 1261 C LEU A 129 -3.918 9.327 2.309 1.00 0.00 C ATOM 1262 O LEU A 129 -4.906 9.254 1.586 1.00 0.00 O ATOM 1263 CB LEU A 129 -3.428 11.448 3.620 1.00 0.00 C ATOM 1264 CG LEU A 129 -4.121 12.407 2.635 1.00 0.00 C ATOM 1265 CD1 LEU A 129 -5.524 12.809 3.097 1.00 0.00 C ATOM 1266 CD2 LEU A 129 -3.280 13.676 2.483 1.00 0.00 C ATOM 1267 H LEU A 129 -2.500 9.620 5.125 1.00 0.00 H ATOM 1268 N VAL A 130 -2.766 8.711 2.012 1.00 0.00 N ATOM 1269 CA VAL A 130 -2.541 7.905 0.802 1.00 0.00 C ATOM 1270 C VAL A 130 -2.990 6.436 0.971 1.00 0.00 C ATOM 1271 O VAL A 130 -2.854 5.636 0.046 1.00 0.00 O ATOM 1272 CB VAL A 130 -1.086 8.090 0.315 1.00 0.00 C ATOM 1273 CG1 VAL A 130 -0.093 7.241 1.116 1.00 0.00 C ATOM 1274 CG2 VAL A 130 -0.928 7.821 -1.188 1.00 0.00 C ATOM 1275 H VAL A 130 -1.977 8.809 2.682 1.00 0.00 H ATOM 1276 N ARG A 131 -3.591 6.080 2.118 1.00 0.00 N ATOM 1277 CA ARG A 131 -4.359 4.839 2.307 1.00 0.00 C ATOM 1278 C ARG A 131 -5.812 5.017 1.847 1.00 0.00 C ATOM 1279 O ARG A 131 -6.375 4.111 1.231 1.00 0.00 O ATOM 1280 CB ARG A 131 -4.279 4.424 3.786 1.00 0.00 C ATOM 1281 CG ARG A 131 -4.799 3.005 4.044 1.00 0.00 C ATOM 1282 CD ARG A 131 -4.714 2.686 5.541 1.00 0.00 C ATOM 1283 NE ARG A 131 -5.217 1.333 5.841 1.00 0.00 N ATOM 1284 CZ ARG A 131 -6.493 0.973 5.976 1.00 0.00 C ATOM 1285 NH1 ARG A 131 -7.486 1.834 5.838 1.00 0.00 N ATOM 1286 NH2 ARG A 131 -6.790 -0.281 6.255 1.00 0.00 N ATOM 1287 HE ARG A 131 -4.505 0.585 5.959 1.00 0.00 H ATOM 1288 HH12 ARG A 131 -8.470 1.516 5.951 1.00 0.00 H ATOM 1289 HH11 ARG A 131 -7.284 2.830 5.617 1.00 0.00 H ATOM 1290 HH22 ARG A 131 -7.784 -0.569 6.362 1.00 0.00 H ATOM 1291 HH21 ARG A 131 -6.031 -0.982 6.368 1.00 0.00 H ATOM 1292 H ARG A 131 -3.508 6.726 2.929 1.00 0.00 H ATOM 1293 N THR A 132 -6.381 6.204 2.092 1.00 0.00 N ATOM 1294 CA THR A 132 -7.752 6.590 1.717 1.00 0.00 C ATOM 1295 C THR A 132 -7.828 7.317 0.361 1.00 0.00 C ATOM 1296 O THR A 132 -8.891 7.326 -0.263 1.00 0.00 O ATOM 1297 CB THR A 132 -8.400 7.427 2.837 1.00 0.00 C ATOM 1298 OG1 THR A 132 -7.606 8.545 3.177 1.00 0.00 O ATOM 1299 CG2 THR A 132 -8.625 6.611 4.114 1.00 0.00 C ATOM 1300 HG1 THR A 132 -6.719 8.236 3.491 1.00 0.00 H ATOM 1301 H THR A 132 -5.806 6.914 2.589 1.00 0.00 H ATOM 1302 N LYS A 133 -6.694 7.833 -0.140 1.00 0.00 N ATOM 1303 CA LYS A 133 -6.489 8.380 -1.489 1.00 0.00 C ATOM 1304 C LYS A 133 -5.339 7.639 -2.188 1.00 0.00 C ATOM 1305 O LYS A 133 -4.406 8.253 -2.714 1.00 0.00 O ATOM 1306 CB LYS A 133 -6.256 9.903 -1.459 1.00 0.00 C ATOM 1307 CG LYS A 133 -7.442 10.752 -0.981 1.00 0.00 C ATOM 1308 CD LYS A 133 -7.360 11.065 0.519 1.00 0.00 C ATOM 1309 CE LYS A 133 -8.419 12.072 0.970 1.00 0.00 C ATOM 1310 NZ LYS A 133 -8.224 13.401 0.342 1.00 0.00 N ATOM 1311 HZ1 LYS A 133 -7.289 13.773 0.604 1.00 0.00 H ATOM 1312 HZ2 LYS A 133 -8.284 13.307 -0.692 1.00 0.00 H ATOM 1313 HZ3 LYS A 133 -8.963 14.052 0.675 1.00 0.00 H ATOM 1314 H LYS A 133 -5.871 7.847 0.496 1.00 0.00 H ATOM 1315 N ARG A 134 -5.401 6.302 -2.169 1.00 0.00 N ATOM 1316 CA ARG A 134 -4.390 5.401 -2.745 1.00 0.00 C ATOM 1317 C ARG A 134 -4.293 5.466 -4.278 1.00 0.00 C ATOM 1318 O ARG A 134 -3.267 5.074 -4.834 1.00 0.00 O ATOM 1319 CB ARG A 134 -4.624 3.977 -2.211 1.00 0.00 C ATOM 1320 CG ARG A 134 -5.885 3.298 -2.773 1.00 0.00 C ATOM 1321 CD ARG A 134 -6.354 2.120 -1.908 1.00 0.00 C ATOM 1322 NE ARG A 134 -5.313 1.087 -1.739 1.00 0.00 N ATOM 1323 CZ ARG A 134 -4.684 0.760 -0.609 1.00 0.00 C ATOM 1324 NH1 ARG A 134 -4.899 1.393 0.532 1.00 0.00 N ATOM 1325 NH2 ARG A 134 -3.809 -0.228 -0.612 1.00 0.00 N ATOM 1326 HE ARG A 134 -5.041 0.558 -2.592 1.00 0.00 H ATOM 1327 HH12 ARG A 134 -4.387 1.106 1.390 1.00 0.00 H ATOM 1328 HH11 ARG A 134 -5.580 2.178 0.571 1.00 0.00 H ATOM 1329 HH22 ARG A 134 -3.315 -0.488 0.266 1.00 0.00 H ATOM 1330 HH21 ARG A 134 -3.613 -0.747 -1.492 1.00 0.00 H ATOM 1331 H ARG A 134 -6.227 5.866 -1.712 1.00 0.00 H ATOM 1332 N ASP A 135 -5.297 6.057 -4.939 1.00 0.00 N ATOM 1333 CA ASP A 135 -5.265 6.445 -6.353 1.00 0.00 C ATOM 1334 C ASP A 135 -5.706 7.903 -6.591 1.00 0.00 C ATOM 1335 O ASP A 135 -5.471 8.423 -7.682 1.00 0.00 O ATOM 1336 CB ASP A 135 -6.140 5.482 -7.171 1.00 0.00 C ATOM 1337 CG ASP A 135 -5.519 4.085 -7.279 1.00 0.00 C ATOM 1338 OD1 ASP A 135 -4.669 3.888 -8.177 1.00 0.00 O ATOM 1339 OD2 ASP A 135 -5.897 3.202 -6.474 1.00 0.00 O ATOM 1340 H ASP A 135 -6.168 6.257 -4.407 1.00 0.00 H ATOM 1341 N TRP A 136 -6.324 8.582 -5.611 1.00 0.00 N ATOM 1342 CA TRP A 136 -6.920 9.910 -5.815 1.00 0.00 C ATOM 1343 C TRP A 136 -5.916 11.068 -5.674 1.00 0.00 C ATOM 1344 O TRP A 136 -6.039 12.056 -6.397 1.00 0.00 O ATOM 1345 CB TRP A 136 -8.142 10.074 -4.903 1.00 0.00 C ATOM 1346 CG TRP A 136 -9.042 11.225 -5.237 1.00 0.00 C ATOM 1347 CD1 TRP A 136 -9.294 12.293 -4.446 1.00 0.00 C ATOM 1348 CD2 TRP A 136 -9.846 11.429 -6.443 1.00 0.00 C ATOM 1349 NE1 TRP A 136 -10.196 13.133 -5.067 1.00 0.00 N ATOM 1350 CE2 TRP A 136 -10.578 12.646 -6.299 1.00 0.00 C ATOM 1351 CE3 TRP A 136 -10.041 10.702 -7.639 1.00 0.00 C ATOM 1352 CZ2 TRP A 136 -11.459 13.114 -7.286 1.00 0.00 C ATOM 1353 CZ3 TRP A 136 -10.921 11.165 -8.637 1.00 0.00 C ATOM 1354 CH2 TRP A 136 -11.627 12.368 -8.464 1.00 0.00 C ATOM 1355 HE1 TRP A 136 -10.544 14.023 -4.657 1.00 0.00 H ATOM 1356 H TRP A 136 -6.383 8.150 -4.667 1.00 0.00 H ATOM 1357 N LEU A 137 -4.851 10.911 -4.874 1.00 0.00 N ATOM 1358 CA LEU A 137 -3.688 11.809 -4.915 1.00 0.00 C ATOM 1359 C LEU A 137 -2.841 11.563 -6.174 1.00 0.00 C ATOM 1360 O LEU A 137 -2.279 12.512 -6.723 1.00 0.00 O ATOM 1361 CB LEU A 137 -2.823 11.622 -3.653 1.00 0.00 C ATOM 1362 CG LEU A 137 -3.392 12.266 -2.373 1.00 0.00 C ATOM 1363 CD1 LEU A 137 -2.555 11.816 -1.169 1.00 0.00 C ATOM 1364 CD2 LEU A 137 -3.390 13.799 -2.433 1.00 0.00 C ATOM 1365 H LEU A 137 -4.848 10.122 -4.197 1.00 0.00 H ATOM 1366 N VAL A 138 -2.801 10.316 -6.662 1.00 0.00 N ATOM 1367 CA VAL A 138 -2.023 9.903 -7.838 1.00 0.00 C ATOM 1368 C VAL A 138 -2.665 10.406 -9.140 1.00 0.00 C ATOM 1369 O VAL A 138 -1.948 10.797 -10.062 1.00 0.00 O ATOM 1370 CB VAL A 138 -1.841 8.367 -7.847 1.00 0.00 C ATOM 1371 CG1 VAL A 138 -0.916 7.911 -8.985 1.00 0.00 C ATOM 1372 CG2 VAL A 138 -1.245 7.849 -6.525 1.00 0.00 C ATOM 1373 H VAL A 138 -3.361 9.588 -6.173 1.00 0.00 H ATOM 1374 N LYS A 139 -4.004 10.467 -9.197 1.00 0.00 N ATOM 1375 CA LYS A 139 -4.777 10.919 -10.358 1.00 0.00 C ATOM 1376 C LYS A 139 -4.891 12.444 -10.411 1.00 0.00 C ATOM 1377 O LYS A 139 -4.595 13.040 -11.449 1.00 0.00 O ATOM 1378 CB LYS A 139 -6.159 10.242 -10.325 1.00 0.00 C ATOM 1379 CG LYS A 139 -7.031 10.624 -11.531 1.00 0.00 C ATOM 1380 CD LYS A 139 -8.390 9.916 -11.464 1.00 0.00 C ATOM 1381 CE LYS A 139 -9.307 10.319 -12.626 1.00 0.00 C ATOM 1382 NZ LYS A 139 -9.737 11.733 -12.537 1.00 0.00 N ATOM 1383 HZ1 LYS A 139 -10.257 11.881 -11.649 1.00 0.00 H ATOM 1384 HZ2 LYS A 139 -8.900 12.350 -12.557 1.00 0.00 H ATOM 1385 HZ3 LYS A 139 -10.354 11.958 -13.343 1.00 0.00 H ATOM 1386 H LYS A 139 -4.534 10.171 -8.353 1.00 0.00 H ATOM 1387 N GLN A 140 -5.302 13.076 -9.306 1.00 0.00 N ATOM 1388 CA GLN A 140 -5.595 14.512 -9.260 1.00 0.00 C ATOM 1389 C GLN A 140 -4.336 15.381 -9.108 1.00 0.00 C ATOM 1390 O GLN A 140 -4.414 16.592 -9.331 1.00 0.00 O ATOM 1391 CB GLN A 140 -6.570 14.814 -8.108 1.00 0.00 C ATOM 1392 CG GLN A 140 -7.908 14.057 -8.159 1.00 0.00 C ATOM 1393 CD GLN A 140 -8.763 14.443 -9.362 1.00 0.00 C ATOM 1394 OE1 GLN A 140 -8.768 13.763 -10.384 1.00 0.00 O ATOM 1395 NE2 GLN A 140 -9.484 15.552 -9.280 1.00 0.00 N ATOM 1396 HE22 GLN A 140 -9.470 16.118 -8.408 1.00 0.00 H ATOM 1397 HE21 GLN A 140 -10.064 15.856 -10.088 1.00 0.00 H ATOM 1398 H GLN A 140 -5.420 12.520 -8.435 1.00 0.00 H ATOM 1399 N ARG A 141 -3.200 14.788 -8.698 1.00 0.00 N ATOM 1400 CA ARG A 141 -1.984 15.485 -8.251 1.00 0.00 C ATOM 1401 C ARG A 141 -2.346 16.533 -7.188 1.00 0.00 C ATOM 1402 O ARG A 141 -2.160 17.735 -7.382 1.00 0.00 O ATOM 1403 CB ARG A 141 -1.159 16.029 -9.439 1.00 0.00 C ATOM 1404 CG ARG A 141 -0.403 14.955 -10.242 1.00 0.00 C ATOM 1405 CD ARG A 141 -1.291 14.043 -11.099 1.00 0.00 C ATOM 1406 NE ARG A 141 -0.476 13.127 -11.916 1.00 0.00 N ATOM 1407 CZ ARG A 141 -0.930 12.248 -12.810 1.00 0.00 C ATOM 1408 NH1 ARG A 141 -2.216 12.123 -13.084 1.00 0.00 N ATOM 1409 NH2 ARG A 141 -0.077 11.473 -13.453 1.00 0.00 N ATOM 1410 HE ARG A 141 0.554 13.170 -11.782 1.00 0.00 H ATOM 1411 HH12 ARG A 141 -2.532 11.426 -13.788 1.00 0.00 H ATOM 1412 HH11 ARG A 141 -2.912 12.722 -12.596 1.00 0.00 H ATOM 1413 HH22 ARG A 141 -0.424 10.785 -14.152 1.00 0.00 H ATOM 1414 HH21 ARG A 141 0.942 11.550 -13.261 1.00 0.00 H ATOM 1415 H ARG A 141 -3.180 13.748 -8.697 1.00 0.00 H ATOM 1416 N GLY A 142 -2.979 16.064 -6.104 1.00 0.00 N ATOM 1417 CA GLY A 142 -3.654 16.895 -5.104 1.00 0.00 C ATOM 1418 C GLY A 142 -2.744 17.810 -4.276 1.00 0.00 C ATOM 1419 O GLY A 142 -3.245 18.725 -3.622 1.00 0.00 O ATOM 1420 H GLY A 142 -2.992 15.034 -5.962 1.00 0.00 H ATOM 1421 N TRP A 143 -1.421 17.625 -4.351 1.00 0.00 N ATOM 1422 CA TRP A 143 -0.424 18.497 -3.727 1.00 0.00 C ATOM 1423 C TRP A 143 -0.126 19.750 -4.563 1.00 0.00 C ATOM 1424 O TRP A 143 0.132 20.811 -3.994 1.00 0.00 O ATOM 1425 CB TRP A 143 0.846 17.683 -3.475 1.00 0.00 C ATOM 1426 CG TRP A 143 0.627 16.466 -2.632 1.00 0.00 C ATOM 1427 CD1 TRP A 143 0.717 15.189 -3.061 1.00 0.00 C ATOM 1428 CD2 TRP A 143 0.240 16.388 -1.224 1.00 0.00 C ATOM 1429 NE1 TRP A 143 0.406 14.332 -2.029 1.00 0.00 N ATOM 1430 CE2 TRP A 143 0.121 15.012 -0.866 1.00 0.00 C ATOM 1431 CE3 TRP A 143 -0.018 17.338 -0.209 1.00 0.00 C ATOM 1432 CZ2 TRP A 143 -0.214 14.597 0.430 1.00 0.00 C ATOM 1433 CZ3 TRP A 143 -0.352 16.934 1.097 1.00 0.00 C ATOM 1434 CH2 TRP A 143 -0.448 15.568 1.418 1.00 0.00 C ATOM 1435 HE1 TRP A 143 0.388 13.296 -2.117 1.00 0.00 H ATOM 1436 H TRP A 143 -1.077 16.805 -4.890 1.00 0.00 H ATOM 1437 N ASP A 144 -0.258 19.665 -5.894 1.00 0.00 N ATOM 1438 CA ASP A 144 -0.318 20.834 -6.775 1.00 0.00 C ATOM 1439 C ASP A 144 -1.711 21.475 -6.729 1.00 0.00 C ATOM 1440 O ASP A 144 -1.811 22.700 -6.737 1.00 0.00 O ATOM 1441 CB ASP A 144 0.035 20.445 -8.217 1.00 0.00 C ATOM 1442 CG ASP A 144 1.486 19.980 -8.350 1.00 0.00 C ATOM 1443 OD1 ASP A 144 2.387 20.851 -8.388 1.00 0.00 O ATOM 1444 OD2 ASP A 144 1.708 18.749 -8.422 1.00 0.00 O ATOM 1445 H ASP A 144 -0.321 18.720 -6.324 1.00 0.00 H ATOM 1446 N GLY A 145 -2.773 20.669 -6.579 1.00 0.00 N ATOM 1447 CA GLY A 145 -4.149 21.145 -6.431 1.00 0.00 C ATOM 1448 C GLY A 145 -4.374 21.962 -5.151 1.00 0.00 C ATOM 1449 O GLY A 145 -5.153 22.915 -5.168 1.00 0.00 O ATOM 1450 H GLY A 145 -2.608 19.642 -6.567 1.00 0.00 H ATOM 1451 N PHE A 146 -3.624 21.668 -4.083 1.00 0.00 N ATOM 1452 CA PHE A 146 -3.586 22.446 -2.843 1.00 0.00 C ATOM 1453 C PHE A 146 -2.969 23.838 -3.066 1.00 0.00 C ATOM 1454 O PHE A 146 -3.522 24.838 -2.601 1.00 0.00 O ATOM 1455 CB PHE A 146 -2.796 21.646 -1.792 1.00 0.00 C ATOM 1456 CG PHE A 146 -2.296 22.475 -0.624 1.00 0.00 C ATOM 1457 CD1 PHE A 146 -0.925 22.784 -0.516 1.00 0.00 C ATOM 1458 CD2 PHE A 146 -3.206 22.999 0.313 1.00 0.00 C ATOM 1459 CE1 PHE A 146 -0.469 23.625 0.514 1.00 0.00 C ATOM 1460 CE2 PHE A 146 -2.747 23.842 1.341 1.00 0.00 C ATOM 1461 CZ PHE A 146 -1.382 24.160 1.437 1.00 0.00 C ATOM 1462 H PHE A 146 -3.022 20.822 -4.138 1.00 0.00 H ATOM 1463 N VAL A 147 -1.870 23.913 -3.829 1.00 0.00 N ATOM 1464 CA VAL A 147 -1.191 25.170 -4.172 1.00 0.00 C ATOM 1465 C VAL A 147 -2.043 26.011 -5.133 1.00 0.00 C ATOM 1466 O VAL A 147 -2.075 27.232 -5.000 1.00 0.00 O ATOM 1467 CB VAL A 147 0.210 24.871 -4.753 1.00 0.00 C ATOM 1468 CG1 VAL A 147 0.915 26.129 -5.282 1.00 0.00 C ATOM 1469 CG2 VAL A 147 1.119 24.239 -3.688 1.00 0.00 C ATOM 1470 H VAL A 147 -1.473 23.027 -4.201 1.00 0.00 H ATOM 1471 N GLU A 148 -2.793 25.381 -6.043 1.00 0.00 N ATOM 1472 CA GLU A 148 -3.670 26.056 -7.007 1.00 0.00 C ATOM 1473 C GLU A 148 -4.977 26.570 -6.373 1.00 0.00 C ATOM 1474 O GLU A 148 -5.567 27.522 -6.889 1.00 0.00 O ATOM 1475 CB GLU A 148 -3.976 25.095 -8.167 1.00 0.00 C ATOM 1476 CG GLU A 148 -2.764 24.884 -9.085 1.00 0.00 C ATOM 1477 CD GLU A 148 -3.043 23.780 -10.114 1.00 0.00 C ATOM 1478 OE1 GLU A 148 -3.527 24.112 -11.221 1.00 0.00 O ATOM 1479 OE2 GLU A 148 -2.778 22.594 -9.806 1.00 0.00 O ATOM 1480 H GLU A 148 -2.752 24.342 -6.070 1.00 0.00 H ATOM 1481 N PHE A 149 -5.404 25.994 -5.241 1.00 0.00 N ATOM 1482 CA PHE A 149 -6.613 26.397 -4.515 1.00 0.00 C ATOM 1483 C PHE A 149 -6.392 27.617 -3.597 1.00 0.00 C ATOM 1484 O PHE A 149 -7.369 28.243 -3.178 1.00 0.00 O ATOM 1485 CB PHE A 149 -7.158 25.180 -3.747 1.00 0.00 C ATOM 1486 CG PHE A 149 -8.495 25.408 -3.064 1.00 0.00 C ATOM 1487 CD1 PHE A 149 -8.580 25.426 -1.659 1.00 0.00 C ATOM 1488 CD2 PHE A 149 -9.655 25.622 -3.833 1.00 0.00 C ATOM 1489 CE1 PHE A 149 -9.812 25.669 -1.026 1.00 0.00 C ATOM 1490 CE2 PHE A 149 -10.887 25.870 -3.201 1.00 0.00 C ATOM 1491 CZ PHE A 149 -10.965 25.898 -1.797 1.00 0.00 C ATOM 1492 H PHE A 149 -4.842 25.210 -4.852 1.00 0.00 H ATOM 1493 N PHE A 150 -5.133 27.998 -3.326 1.00 0.00 N ATOM 1494 CA PHE A 150 -4.776 29.124 -2.456 1.00 0.00 C ATOM 1495 C PHE A 150 -3.778 30.084 -3.124 1.00 0.00 C ATOM 1496 O PHE A 150 -4.147 31.212 -3.457 1.00 0.00 O ATOM 1497 CB PHE A 150 -4.246 28.594 -1.114 1.00 0.00 C ATOM 1498 CG PHE A 150 -5.249 27.820 -0.273 1.00 0.00 C ATOM 1499 CD1 PHE A 150 -6.410 28.458 0.206 1.00 0.00 C ATOM 1500 CD2 PHE A 150 -4.986 26.487 0.098 1.00 0.00 C ATOM 1501 CE1 PHE A 150 -7.302 27.767 1.045 1.00 0.00 C ATOM 1502 CE2 PHE A 150 -5.877 25.797 0.940 1.00 0.00 C ATOM 1503 CZ PHE A 150 -7.033 26.439 1.417 1.00 0.00 C ATOM 1504 H PHE A 150 -4.359 27.458 -3.762 1.00 0.00 H ATOM 1505 N HIS A 151 -2.525 29.643 -3.317 1.00 0.00 N ATOM 1506 CA HIS A 151 -1.401 30.416 -3.871 1.00 0.00 C ATOM 1507 C HIS A 151 -1.110 31.748 -3.142 1.00 0.00 C ATOM 1508 O HIS A 151 -0.551 32.675 -3.731 1.00 0.00 O ATOM 1509 CB HIS A 151 -1.572 30.564 -5.397 1.00 0.00 C ATOM 1510 CG HIS A 151 -0.267 30.715 -6.140 1.00 0.00 C ATOM 1511 ND1 HIS A 151 0.620 29.694 -6.428 1.00 0.00 N ATOM 1512 CD2 HIS A 151 0.250 31.873 -6.653 1.00 0.00 C ATOM 1513 CE1 HIS A 151 1.657 30.222 -7.104 1.00 0.00 C ATOM 1514 NE2 HIS A 151 1.454 31.547 -7.250 1.00 0.00 N ATOM 1515 H HIS A 151 -2.329 28.658 -3.049 1.00 0.00 H ATOM 1516 N VAL A 152 -1.508 31.862 -1.866 1.00 0.00 N ATOM 1517 CA VAL A 152 -1.491 33.121 -1.098 1.00 0.00 C ATOM 1518 C VAL A 152 -0.086 33.581 -0.686 1.00 0.00 C ATOM 1519 O VAL A 152 0.105 34.764 -0.400 1.00 0.00 O ATOM 1520 CB VAL A 152 -2.401 33.022 0.146 1.00 0.00 C ATOM 1521 CG1 VAL A 152 -3.877 32.884 -0.247 1.00 0.00 C ATOM 1522 CG2 VAL A 152 -2.019 31.862 1.076 1.00 0.00 C ATOM 1523 H VAL A 152 -1.851 31.005 -1.386 1.00 0.00 H ATOM 1524 N GLU A 153 0.891 32.667 -0.664 1.00 0.00 N ATOM 1525 CA GLU A 153 2.280 32.929 -0.269 1.00 0.00 C ATOM 1526 C GLU A 153 3.311 32.254 -1.194 1.00 0.00 C ATOM 1527 O GLU A 153 4.510 32.477 -1.024 1.00 0.00 O ATOM 1528 CB GLU A 153 2.481 32.486 1.191 1.00 0.00 C ATOM 1529 CG GLU A 153 1.849 33.412 2.239 1.00 0.00 C ATOM 1530 CD GLU A 153 2.388 34.852 2.207 1.00 0.00 C ATOM 1531 OE1 GLU A 153 3.602 35.040 1.956 1.00 0.00 O ATOM 1532 OE2 GLU A 153 1.589 35.783 2.463 1.00 0.00 O ATOM 1533 H GLU A 153 0.647 31.697 -0.949 1.00 0.00 H ATOM 1534 N ASP A 154 2.877 31.493 -2.210 1.00 0.00 N ATOM 1535 CA ASP A 154 3.745 30.872 -3.219 1.00 0.00 C ATOM 1536 C ASP A 154 4.016 31.809 -4.416 1.00 0.00 C ATOM 1537 O ASP A 154 4.135 31.369 -5.560 1.00 0.00 O ATOM 1538 CB ASP A 154 3.191 29.488 -3.601 1.00 0.00 C ATOM 1539 CG ASP A 154 4.138 28.695 -4.514 1.00 0.00 C ATOM 1540 OD1 ASP A 154 3.658 28.132 -5.526 1.00 0.00 O ATOM 1541 OD2 ASP A 154 5.355 28.654 -4.217 1.00 0.00 O ATOM 1542 H ASP A 154 1.853 31.331 -2.289 1.00 0.00 H ATOM 1543 N LEU A 155 4.134 33.117 -4.155 1.00 0.00 N ATOM 1544 CA LEU A 155 4.479 34.128 -5.158 1.00 0.00 C ATOM 1545 C LEU A 155 5.955 34.029 -5.593 1.00 0.00 C ATOM 1546 O LEU A 155 6.298 34.482 -6.686 1.00 0.00 O ATOM 1547 CB LEU A 155 4.153 35.540 -4.627 1.00 0.00 C ATOM 1548 CG LEU A 155 2.666 35.909 -4.411 1.00 0.00 C ATOM 1549 CD1 LEU A 155 1.794 35.607 -5.636 1.00 0.00 C ATOM 1550 CD2 LEU A 155 2.036 35.254 -3.177 1.00 0.00 C ATOM 1551 H LEU A 155 3.970 33.436 -3.179 1.00 0.00 H ATOM 1552 N GLU A 156 6.806 33.361 -4.801 1.00 0.00 N ATOM 1553 CA GLU A 156 8.174 32.985 -5.179 1.00 0.00 C ATOM 1554 C GLU A 156 8.209 31.778 -6.139 1.00 0.00 C ATOM 1555 O GLU A 156 9.222 31.549 -6.803 1.00 0.00 O ATOM 1556 CB GLU A 156 8.991 32.665 -3.914 1.00 0.00 C ATOM 1557 CG GLU A 156 9.090 33.827 -2.913 1.00 0.00 C ATOM 1558 CD GLU A 156 9.731 35.074 -3.537 1.00 0.00 C ATOM 1559 OE1 GLU A 156 10.967 35.062 -3.749 1.00 0.00 O ATOM 1560 OE2 GLU A 156 8.993 36.050 -3.812 1.00 0.00 O ATOM 1561 H GLU A 156 6.474 33.090 -3.853 1.00 0.00 H ATOM 1562 N GLY A 157 7.109 31.018 -6.231 1.00 0.00 N ATOM 1563 CA GLY A 157 6.927 29.898 -7.155 1.00 0.00 C ATOM 1564 C GLY A 157 7.643 28.598 -6.767 1.00 0.00 C ATOM 1565 O GLY A 157 7.559 27.635 -7.529 1.00 0.00 O ATOM 1566 H GLY A 157 6.319 31.243 -5.593 1.00 0.00 H ATOM 1567 N GLY A 158 8.345 28.544 -5.627 1.00 0.00 N ATOM 1568 CA GLY A 158 9.048 27.352 -5.148 1.00 0.00 C ATOM 1569 C GLY A 158 10.138 26.868 -6.116 1.00 0.00 C ATOM 1570 O GLY A 158 10.928 27.676 -6.609 1.00 0.00 O ATOM 1571 H GLY A 158 8.394 29.404 -5.045 1.00 0.00 H ATOM 1572 N HIS A 159 10.147 25.553 -6.389 1.00 0.00 N ATOM 1573 CA HIS A 159 11.005 24.837 -7.349 1.00 0.00 C ATOM 1574 C HIS A 159 12.521 25.135 -7.240 1.00 0.00 C ATOM 1575 O HIS A 159 12.988 25.661 -6.226 1.00 0.00 O ATOM 1576 CB HIS A 159 10.415 24.962 -8.773 1.00 0.00 C ATOM 1577 CG HIS A 159 10.625 26.286 -9.476 1.00 0.00 C ATOM 1578 ND1 HIS A 159 9.776 27.368 -9.445 1.00 0.00 N ATOM 1579 CD2 HIS A 159 11.656 26.617 -10.316 1.00 0.00 C ATOM 1580 CE1 HIS A 159 10.299 28.335 -10.216 1.00 0.00 C ATOM 1581 NE2 HIS A 159 11.449 27.922 -10.776 1.00 0.00 N ATOM 1582 H HIS A 159 9.467 24.971 -5.860 1.00 0.00 H ATOM 1583 N HIS A 160 13.288 24.734 -8.269 1.00 0.00 N ATOM 1584 CA HIS A 160 14.750 24.833 -8.394 1.00 0.00 C ATOM 1585 C HIS A 160 15.491 24.043 -7.305 1.00 0.00 C ATOM 1586 O HIS A 160 15.814 24.575 -6.240 1.00 0.00 O ATOM 1587 CB HIS A 160 15.187 26.305 -8.509 1.00 0.00 C ATOM 1588 CG HIS A 160 16.672 26.496 -8.708 1.00 0.00 C ATOM 1589 ND1 HIS A 160 17.543 25.583 -9.313 1.00 0.00 N ATOM 1590 CD2 HIS A 160 17.382 27.598 -8.326 1.00 0.00 C ATOM 1591 CE1 HIS A 160 18.756 26.157 -9.272 1.00 0.00 C ATOM 1592 NE2 HIS A 160 18.689 27.368 -8.691 1.00 0.00 N ATOM 1593 H HIS A 160 12.788 24.302 -9.072 1.00 0.00 H ATOM 1594 N HIS A 161 15.725 22.751 -7.576 1.00 0.00 N ATOM 1595 CA HIS A 161 16.273 21.785 -6.622 1.00 0.00 C ATOM 1596 C HIS A 161 17.688 22.129 -6.140 1.00 0.00 C ATOM 1597 O HIS A 161 18.537 22.599 -6.902 1.00 0.00 O ATOM 1598 CB HIS A 161 16.227 20.362 -7.204 1.00 0.00 C ATOM 1599 CG HIS A 161 14.891 19.679 -7.034 1.00 0.00 C ATOM 1600 ND1 HIS A 161 14.608 18.669 -6.141 1.00 0.00 N ATOM 1601 CD2 HIS A 161 13.733 19.951 -7.713 1.00 0.00 C ATOM 1602 CE1 HIS A 161 13.314 18.341 -6.283 1.00 0.00 C ATOM 1603 NE2 HIS A 161 12.733 19.095 -7.232 1.00 0.00 N ATOM 1604 H HIS A 161 15.501 22.410 -8.533 1.00 0.00 H ATOM 1605 N HIS A 162 17.935 21.789 -4.870 1.00 0.00 N ATOM 1606 CA HIS A 162 19.220 21.861 -4.174 1.00 0.00 C ATOM 1607 C HIS A 162 19.349 20.657 -3.232 1.00 0.00 C ATOM 1608 O HIS A 162 18.337 20.138 -2.753 1.00 0.00 O ATOM 1609 CB HIS A 162 19.313 23.172 -3.379 1.00 0.00 C ATOM 1610 CG HIS A 162 19.286 24.414 -4.232 1.00 0.00 C ATOM 1611 ND1 HIS A 162 20.327 24.856 -5.053 1.00 0.00 N ATOM 1612 CD2 HIS A 162 18.233 25.274 -4.345 1.00 0.00 C ATOM 1613 CE1 HIS A 162 19.867 25.967 -5.651 1.00 0.00 C ATOM 1614 NE2 HIS A 162 18.615 26.241 -5.246 1.00 0.00 N ATOM 1615 H HIS A 162 17.127 21.436 -4.318 1.00 0.00 H ATOM 1616 N HIS A 163 20.591 20.246 -2.938 1.00 0.00 N ATOM 1617 CA HIS A 163 20.940 19.059 -2.145 1.00 0.00 C ATOM 1618 C HIS A 163 20.335 17.758 -2.709 1.00 0.00 C ATOM 1619 O HIS A 163 20.955 17.124 -3.567 1.00 0.00 O ATOM 1620 CB HIS A 163 20.678 19.307 -0.649 1.00 0.00 C ATOM 1621 CG HIS A 163 20.984 18.117 0.227 1.00 0.00 C ATOM 1622 ND1 HIS A 163 22.212 17.455 0.292 1.00 0.00 N ATOM 1623 CD2 HIS A 163 20.096 17.495 1.056 1.00 0.00 C ATOM 1624 CE1 HIS A 163 22.033 16.448 1.163 1.00 0.00 C ATOM 1625 NE2 HIS A 163 20.775 16.448 1.637 1.00 0.00 N ATOM 1626 H HIS A 163 21.378 20.819 -3.304 1.00 0.00 H ATOM 1627 N HIS A 164 19.134 17.376 -2.258 1.00 0.00 N ATOM 1628 CA HIS A 164 18.363 16.233 -2.749 1.00 0.00 C ATOM 1629 C HIS A 164 16.863 16.549 -2.696 1.00 0.00 C ATOM 1630 O HIS A 164 16.226 16.511 -3.773 1.00 0.00 O ATOM 1631 CB HIS A 164 18.707 14.980 -1.927 1.00 0.00 C ATOM 1632 CG HIS A 164 17.948 13.752 -2.368 1.00 0.00 C ATOM 1633 ND1 HIS A 164 17.899 13.239 -3.652 1.00 0.00 N ATOM 1634 CD2 HIS A 164 17.191 12.939 -1.568 1.00 0.00 C ATOM 1635 CE1 HIS A 164 17.129 12.133 -3.632 1.00 0.00 C ATOM 1636 NE2 HIS A 164 16.685 11.935 -2.374 1.00 0.00 N ATOM 1637 OXT HIS A 164 16.354 16.822 -1.584 1.00 0.00 O ATOM 1638 H HIS A 164 18.712 17.940 -1.493 1.00 0.00 H TER 1639 HIS A 164 HETATM 1640 N1 N A 8 -11.794 16.294 13.318 1.00 -0.31 N HETATM 1641 C4 N A 8 -11.054 16.763 12.187 1.00 0.08 C HETATM 1642 C5 N A 8 -11.679 17.387 11.106 1.00 -0.03 C HETATM 1643 C6 N A 8 -10.917 17.915 10.053 1.00 0.03 C HETATM 1644 C7 N A 8 -11.598 18.598 8.959 1.00 0.21 C HETATM 1645 O13 N A 8 -11.711 18.110 7.840 1.00 -0.39 O HETATM 1646 N29 N A 8 -12.210 19.809 9.128 1.00 -0.16 N HETATM 1647 S26 N A 8 -11.987 20.891 10.387 1.00 0.07 S HETATM 1648 O27 N A 8 -11.120 20.320 11.353 1.00 -0.15 O HETATM 1649 O28 N A 8 -11.542 22.123 9.832 1.00 -0.15 O HETATM 1650 C30 N A 8 -13.606 21.115 11.125 1.00 0.12 C HETATM 1651 C31 N A 8 -13.733 22.083 12.302 1.00 -0.02 C HETATM 1652 C32 N A 8 -14.828 22.946 12.364 1.00 -0.06 C HETATM 1653 C33 N A 8 -14.991 23.807 13.445 1.00 -0.07 C HETATM 1654 C34 N A 8 -14.063 23.810 14.480 1.00 -0.07 C HETATM 1655 C35 N A 8 -12.967 22.955 14.428 1.00 -0.07 C HETATM 1656 C36 N A 8 -12.801 22.099 13.344 1.00 -0.06 C HETATM 1657 H26 N A 8 -11.942 21.439 13.307 1.00 0.06 H HETATM 1658 H25 N A 8 -12.241 22.956 15.233 1.00 0.06 H HETATM 1659 H24 N A 8 -14.193 24.477 15.325 1.00 0.06 H HETATM 1660 H23 N A 8 -15.843 24.476 13.480 1.00 0.06 H HETATM 1661 H22 N A 8 -15.558 22.946 11.563 1.00 0.06 H HETATM 1662 H20 N A 8 -13.945 20.129 11.475 1.00 0.07 H HETATM 1663 H21 N A 8 -14.279 21.474 10.333 1.00 0.07 H HETATM 1664 H19 N A 8 -12.864 20.079 8.421 1.00 0.21 H HETATM 1665 C8 N A 8 -9.517 17.812 10.088 1.00 -0.06 C HETATM 1666 C9 N A 8 -8.888 17.168 11.150 1.00 -0.04 C HETATM 1667 C10 N A 8 -9.654 16.602 12.159 1.00 0.12 C HETATM 1668 O3 N A 8 -9.013 15.851 13.123 1.00 -0.30 O HETATM 1669 C11 N A 8 -9.853 14.974 13.934 1.00 0.13 C HETATM 1670 C12 N A 8 -10.988 15.865 14.488 1.00 0.07 C HETATM 1671 H13 N A 8 -11.612 15.293 15.191 1.00 0.06 H HETATM 1672 H14 N A 8 -10.567 16.742 15.002 1.00 0.06 H HETATM 1673 C23 N A 8 -9.040 14.377 15.085 1.00 0.01 C HETATM 1674 C22 N A 8 -7.729 14.789 15.360 1.00 -0.06 C HETATM 1675 C21 N A 8 -7.016 14.238 16.422 1.00 -0.05 C HETATM 1676 C19 N A 8 -7.614 13.289 17.242 1.00 0.03 C HETATM 1677 CL20 N A 8 -6.738 12.636 18.580 1.00 -0.08 CL HETATM 1678 C18 N A 8 -8.911 12.867 16.988 1.00 -0.04 C HETATM 1679 C24 N A 8 -9.607 13.375 15.893 1.00 0.04 C HETATM 1680 CL25 N A 8 -11.176 12.704 15.558 1.00 -0.08 CL HETATM 1681 H18 N A 8 -9.383 12.142 17.641 1.00 0.06 H HETATM 1682 H7 N A 8 -5.995 14.550 16.609 1.00 0.06 H HETATM 1683 H8 N A 8 -7.264 15.546 14.739 1.00 0.06 H HETATM 1684 H12 N A 8 -10.268 14.163 13.317 1.00 0.08 H HETATM 1685 H11 N A 8 -7.806 17.109 11.188 1.00 0.05 H HETATM 1686 H2 N A 8 -8.924 18.235 9.285 1.00 0.05 H HETATM 1687 H1 N A 8 -12.760 17.464 11.080 1.00 0.05 H HETATM 1688 C2 N A 8 -13.151 16.811 13.644 1.00 0.03 C HETATM 1689 C14 N A 8 -13.059 18.320 14.004 1.00 -0.02 C HETATM 1690 C15 N A 8 -14.463 18.923 14.303 1.00 -0.05 C HETATM 1691 C16 N A 8 -14.192 18.669 15.814 1.00 -0.05 C HETATM 1692 C17 N A 8 -12.673 18.616 15.486 1.00 -0.05 C HETATM 1693 H5 N A 8 -12.139 19.566 15.638 1.00 0.03 H HETATM 1694 H6 N A 8 -12.126 17.804 15.986 1.00 0.03 H HETATM 1695 H16 N A 8 -14.608 17.726 16.199 1.00 0.03 H HETATM 1696 H17 N A 8 -14.487 19.497 16.475 1.00 0.03 H HETATM 1697 H3 N A 8 -15.304 18.349 13.887 1.00 0.03 H HETATM 1698 H4 N A 8 -14.572 19.983 14.031 1.00 0.03 H HETATM 1699 H15 N A 8 -12.460 18.858 13.254 1.00 0.03 H HETATM 1700 H9 N A 8 -13.559 16.254 14.500 1.00 0.05 H HETATM 1701 H10 N A 8 -13.811 16.681 12.774 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1640 1641 1670 1688 CONECT 1641 1640 1642 1667 CONECT 1642 1641 1643 1687 CONECT 1643 1642 1644 1665 CONECT 1644 1643 1645 1646 CONECT 1645 1644 CONECT 1646 1644 1647 1664 CONECT 1647 1646 1648 1649 1650 CONECT 1648 1647 CONECT 1649 1647 CONECT 1650 1647 1651 1662 1663 CONECT 1651 1650 1652 1656 CONECT 1652 1651 1653 1661 CONECT 1653 1652 1654 1660 CONECT 1654 1653 1655 1659 CONECT 1655 1654 1656 1658 CONECT 1656 1651 1655 1657 CONECT 1657 1656 CONECT 1658 1655 CONECT 1659 1654 CONECT 1660 1653 CONECT 1661 1652 CONECT 1662 1650 CONECT 1663 1650 CONECT 1664 1646 CONECT 1665 1643 1666 1686 CONECT 1666 1665 1667 1685 CONECT 1667 1641 1666 1668 CONECT 1668 1667 1669 CONECT 1669 1668 1670 1673 1684 CONECT 1670 1640 1669 1671 1672 CONECT 1671 1670 CONECT 1672 1670 CONECT 1673 1669 1674 1679 CONECT 1674 1673 1675 1683 CONECT 1675 1674 1676 1682 CONECT 1676 1675 1677 1678 CONECT 1677 1676 CONECT 1678 1676 1679 1681 CONECT 1679 1673 1678 1680 CONECT 1680 1679 CONECT 1681 1678 CONECT 1682 1675 CONECT 1683 1674 CONECT 1684 1669 CONECT 1685 1666 CONECT 1686 1665 CONECT 1687 1642 CONECT 1688 1640 1689 1700 1701 CONECT 1689 1688 1690 1692 1699 CONECT 1690 1689 1691 1697 1698 CONECT 1691 1690 1692 1695 1696 CONECT 1692 1689 1691 1693 1694 CONECT 1693 1692 CONECT 1694 1692 CONECT 1695 1691 CONECT 1696 1691 CONECT 1697 1690 CONECT 1698 1690 CONECT 1699 1689 CONECT 1700 1688 CONECT 1701 1688 MASTER 0 0 0 0 0 0 0 0 1700 1 66 13 END
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Related entries of code: 6ovc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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6qz8
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6qz6
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170aa, >6QZ6_1|Chain... at 91%
6qz5
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PDBbind
170aa, >6QZ5_1|Chain... at 91%
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PDBbind
170aa, >6QFQ_1|Chain... at 91%
6qb6
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6ovc
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand Name
N8J
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
IC50=0.3uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Cancer Discov Vol. 8: pp. 1582-1597
Ligand Properties
Formula
C
2
7
H
2
6
Cl
2
N
2
O
4
S
Molecular Weight
545.477
Exact Mass
544.099
No. of atoms
62
No. of bonds
66
Polar Surface Area
84.09
LOGP Value
6.20 (
Computed with XLOGP3
)
7.53 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
Clc1ccc(c(c1)Cl)[C@H]1CN(CC2CCC2)c2c(O1)ccc(c2)C(=O)NS(=O)(=O)Cc1ccccc1
InChI String
InChI=1S/C27H26Cl2N2O4S/c28-21-10-11-22(23(29)14-21)26-16-31(15-18-7-4-8-18)24-13-20(9-12-25(24)35-26)27(32)30-36(33,34)17-19-5-2-1-3-6-19/h1-3,5-6,9-14,18,26H,4,7-8,15-17H2,(H,30,32)/t26-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q07820
Entrez Gene ID
NCBI Entrez Gene ID:
4170
ASD
Information of known allosteric effects of PDB entries
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