Browse entries in the PDBbind-CN Database
HEADER 5IEZ_COMPLEX COMPND 5IEZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 151 ASP ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER SEQRES 2 A 151 ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR SEQRES 3 A 151 LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA SEQRES 4 A 151 LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG SEQRES 5 A 151 ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU SEQRES 6 A 151 ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG SEQRES 7 A 151 VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP SEQRES 8 A 151 GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL SEQRES 9 A 151 ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE SEQRES 10 A 151 GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG SEQRES 11 A 151 THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP SEQRES 12 A 151 GLY PHE VAL GLU PHE PHE HIS VAL HET UNN A 184 74 ATOM 1 N ASP A 171 23.173 11.818 38.440 1.00 62.99 N ATOM 2 CA ASP A 171 24.150 12.289 37.467 1.00 55.01 C ATOM 3 C ASP A 171 23.832 11.754 36.073 1.00 49.51 C ATOM 4 O ASP A 171 24.374 12.237 35.073 1.00 46.80 O ATOM 5 CB ASP A 171 25.559 11.879 37.891 1.00 51.18 C ATOM 6 HN3 ASP A 171 23.188 10.779 38.469 1.00 0.00 H ATOM 7 HN2 ASP A 171 22.225 12.145 38.164 1.00 0.00 H ATOM 8 HN1 ASP A 171 23.411 12.195 39.379 1.00 0.00 H ATOM 9 N ASP A 172 22.934 10.764 36.016 1.00 46.82 N ATOM 10 CA ASP A 172 22.652 9.997 34.802 1.00 41.11 C ATOM 11 C ASP A 172 21.233 10.318 34.351 1.00 38.56 C ATOM 12 O ASP A 172 20.265 9.789 34.908 1.00 38.23 O ATOM 13 CB ASP A 172 22.836 8.503 35.067 1.00 45.43 C ATOM 14 CG ASP A 172 22.799 7.664 33.804 1.00 42.66 C ATOM 15 OD1 ASP A 172 22.172 8.070 32.800 1.00 40.25 O ATOM 16 OD2 ASP A 172 23.423 6.588 33.819 1.00 45.04 O ATOM 17 H ASP A 172 22.408 10.527 36.881 1.00 0.00 H ATOM 18 N GLU A 173 21.118 11.143 33.303 1.00 39.54 N ATOM 19 CA GLU A 173 19.825 11.704 32.914 1.00 37.35 C ATOM 20 C GLU A 173 18.952 10.723 32.137 1.00 38.87 C ATOM 21 O GLU A 173 17.733 10.667 32.371 1.00 37.03 O ATOM 22 CB GLU A 173 20.030 12.967 32.089 1.00 43.95 C ATOM 23 CG GLU A 173 18.729 13.502 31.488 1.00 53.74 C ATOM 24 CD GLU A 173 17.692 13.875 32.545 1.00 51.49 C ATOM 25 OE1 GLU A 173 18.082 14.097 33.718 1.00 53.55 O ATOM 26 OE2 GLU A 173 16.491 13.955 32.193 1.00 42.52 O ATOM 27 H GLU A 173 21.966 11.390 32.754 1.00 0.00 H ATOM 28 N LEU A 174 19.539 9.956 31.198 1.00 45.62 N ATOM 29 CA LEU A 174 18.743 9.015 30.405 1.00 32.97 C ATOM 30 C LEU A 174 18.213 7.886 31.264 1.00 31.13 C ATOM 31 O LEU A 174 17.068 7.449 31.093 1.00 33.74 O ATOM 32 CB LEU A 174 19.554 8.435 29.246 1.00 33.92 C ATOM 33 CG LEU A 174 18.876 7.264 28.516 1.00 32.26 C ATOM 34 CD1 LEU A 174 17.712 7.703 27.624 1.00 31.42 C ATOM 35 CD2 LEU A 174 19.880 6.459 27.718 1.00 33.69 C ATOM 36 H LEU A 174 20.563 10.032 31.035 1.00 0.00 H ATOM 37 N TYR A 175 19.030 7.381 32.180 1.00 33.99 N ATOM 38 CA TYR A 175 18.515 6.380 33.104 1.00 38.91 C ATOM 39 C TYR A 175 17.329 6.937 33.882 1.00 37.16 C ATOM 40 O TYR A 175 16.261 6.322 33.899 1.00 42.70 O ATOM 41 CB TYR A 175 19.628 5.880 34.032 1.00 41.44 C ATOM 42 CG TYR A 175 19.150 5.011 35.162 1.00 36.60 C ATOM 43 CD1 TYR A 175 19.260 3.629 35.107 1.00 36.34 C ATOM 44 CD2 TYR A 175 18.591 5.578 36.297 1.00 38.44 C ATOM 45 CE1 TYR A 175 18.810 2.849 36.156 1.00 31.27 C ATOM 46 CE2 TYR A 175 18.136 4.808 37.334 1.00 33.89 C ATOM 47 CZ TYR A 175 18.251 3.456 37.266 1.00 30.27 C ATOM 48 OH TYR A 175 17.792 2.731 38.331 1.00 34.50 O ATOM 49 HH TYR A 175 18.286 2.996 39.147 1.00 0.00 H ATOM 50 H TYR A 175 20.020 7.694 32.237 1.00 0.00 H ATOM 51 N ARG A 176 17.478 8.127 34.492 1.00 30.78 N ATOM 52 CA ARG A 176 16.420 8.649 35.358 1.00 31.03 C ATOM 53 C ARG A 176 15.109 8.870 34.593 1.00 30.53 C ATOM 54 O ARG A 176 14.039 8.472 35.060 1.00 28.91 O ATOM 55 CB ARG A 176 16.854 9.949 36.033 1.00 39.03 C ATOM 56 CG ARG A 176 15.660 10.703 36.657 1.00 43.66 C ATOM 57 CD ARG A 176 15.722 12.246 36.511 1.00 40.71 C ATOM 58 NE ARG A 176 15.643 12.727 35.130 1.00 34.75 N ATOM 59 CZ ARG A 176 14.515 12.970 34.449 1.00 34.12 C ATOM 60 NH1 ARG A 176 13.321 12.769 34.990 1.00 33.36 N ATOM 61 NH2 ARG A 176 14.576 13.422 33.198 1.00 34.60 N ATOM 62 HE ARG A 176 16.542 12.895 34.634 1.00 0.00 H ATOM 63 HH12 ARG A 176 12.461 12.966 34.439 1.00 0.00 H ATOM 64 HH11 ARG A 176 13.245 12.415 35.965 1.00 0.00 H ATOM 65 HH22 ARG A 176 13.700 13.610 32.670 1.00 0.00 H ATOM 66 HH21 ARG A 176 15.500 13.587 32.749 1.00 0.00 H ATOM 67 H ARG A 176 18.348 8.678 34.348 1.00 0.00 H ATOM 68 N GLN A 177 15.170 9.554 33.443 1.00 32.00 N ATOM 69 CA GLN A 177 14.023 9.603 32.524 1.00 29.71 C ATOM 70 C GLN A 177 13.408 8.232 32.281 1.00 29.30 C ATOM 71 O GLN A 177 12.177 8.056 32.362 1.00 25.56 O ATOM 72 CB GLN A 177 14.454 10.194 31.189 1.00 29.70 C ATOM 73 CG GLN A 177 13.336 10.780 30.400 1.00 29.99 C ATOM 74 CD GLN A 177 13.805 11.148 29.029 1.00 31.19 C ATOM 75 OE1 GLN A 177 14.972 10.952 28.698 1.00 31.76 O ATOM 76 NE2 GLN A 177 12.922 11.711 28.229 1.00 40.75 N ATOM 77 HE22 GLN A 177 11.945 11.856 28.553 1.00 0.00 H ATOM 78 HE21 GLN A 177 13.202 12.010 27.273 1.00 0.00 H ATOM 79 H GLN A 177 16.044 10.060 33.196 1.00 0.00 H ATOM 80 N SER A 178 14.254 7.264 31.905 1.00 26.08 N ATOM 81 CA SER A 178 13.763 5.940 31.536 1.00 32.21 C ATOM 82 C SER A 178 13.070 5.268 32.710 1.00 23.22 C ATOM 83 O SER A 178 12.005 4.658 32.551 1.00 21.91 O ATOM 84 CB SER A 178 14.910 5.070 31.032 1.00 27.52 C ATOM 85 OG SER A 178 15.578 5.681 29.950 1.00 26.31 O ATOM 86 HG SER A 178 15.947 6.552 30.241 1.00 0.00 H ATOM 87 H SER A 178 15.275 7.459 31.876 1.00 0.00 H ATOM 88 N LEU A 179 13.628 5.428 33.910 1.00 23.95 N ATOM 89 CA LEU A 179 12.994 4.863 35.082 1.00 23.22 C ATOM 90 C LEU A 179 11.687 5.555 35.367 1.00 23.00 C ATOM 91 O LEU A 179 10.739 4.909 35.817 1.00 21.98 O ATOM 92 CB LEU A 179 13.910 4.946 36.300 1.00 24.63 C ATOM 93 CG LEU A 179 13.204 4.624 37.619 1.00 26.79 C ATOM 94 CD1 LEU A 179 12.880 3.144 37.639 1.00 30.91 C ATOM 95 CD2 LEU A 179 14.035 4.971 38.866 1.00 26.46 C ATOM 96 H LEU A 179 14.518 5.958 34.004 1.00 0.00 H ATOM 97 N GLU A 180 11.593 6.860 35.097 1.00 26.19 N ATOM 98 CA GLU A 180 10.326 7.521 35.373 1.00 24.63 C ATOM 99 C GLU A 180 9.245 7.018 34.418 1.00 23.49 C ATOM 100 O GLU A 180 8.147 6.663 34.850 1.00 29.95 O ATOM 101 CB GLU A 180 10.512 9.044 35.342 1.00 26.75 C ATOM 102 CG GLU A 180 9.236 9.851 35.456 1.00 28.65 C ATOM 103 CD GLU A 180 9.448 11.371 35.408 1.00 44.35 C ATOM 104 OE1 GLU A 180 10.440 11.827 34.802 1.00 54.35 O ATOM 105 OE2 GLU A 180 8.618 12.092 36.006 1.00 42.34 O ATOM 106 H GLU A 180 12.399 7.386 34.703 1.00 0.00 H ATOM 107 N ILE A 181 9.586 6.851 33.141 1.00 27.04 N ATOM 108 CA ILE A 181 8.654 6.290 32.153 1.00 24.06 C ATOM 109 C ILE A 181 8.244 4.862 32.520 1.00 27.77 C ATOM 110 O ILE A 181 7.048 4.534 32.590 1.00 20.28 O ATOM 111 CB ILE A 181 9.288 6.335 30.749 1.00 22.81 C ATOM 112 CG1 ILE A 181 9.529 7.789 30.333 1.00 24.80 C ATOM 113 CG2 ILE A 181 8.476 5.562 29.726 1.00 22.19 C ATOM 114 CD1 ILE A 181 10.467 7.942 29.146 1.00 32.87 C ATOM 115 H ILE A 181 10.541 7.126 32.834 1.00 0.00 H ATOM 116 N ILE A 182 9.238 3.979 32.675 1.00 27.39 N ATOM 117 CA ILE A 182 8.990 2.549 32.892 1.00 27.67 C ATOM 118 C ILE A 182 8.270 2.316 34.224 1.00 25.00 C ATOM 119 O ILE A 182 7.282 1.569 34.307 1.00 23.33 O ATOM 120 CB ILE A 182 10.323 1.780 32.801 1.00 29.32 C ATOM 121 CG1 ILE A 182 10.901 1.947 31.382 1.00 32.75 C ATOM 122 CG2 ILE A 182 10.126 0.308 33.136 1.00 29.19 C ATOM 123 CD1 ILE A 182 12.336 1.453 31.170 1.00 20.13 C ATOM 124 H ILE A 182 10.220 4.318 32.640 1.00 0.00 H ATOM 125 N SER A 183 8.754 2.969 35.283 1.00 27.09 N ATOM 126 CA SER A 183 8.111 2.904 36.590 1.00 19.37 C ATOM 127 C SER A 183 6.645 3.293 36.507 1.00 19.53 C ATOM 128 O SER A 183 5.787 2.659 37.135 1.00 27.07 O ATOM 129 CB SER A 183 8.848 3.816 37.572 1.00 27.37 C ATOM 130 OG SER A 183 8.152 3.905 38.801 1.00 37.55 O ATOM 131 HG SER A 183 8.075 3.003 39.201 1.00 0.00 H ATOM 132 H SER A 183 9.615 3.541 35.172 1.00 0.00 H ATOM 133 N ARG A 184 6.327 4.350 35.753 1.00 20.47 N ATOM 134 CA ARG A 184 4.927 4.755 35.726 1.00 23.18 C ATOM 135 C ARG A 184 4.089 3.806 34.893 1.00 23.82 C ATOM 136 O ARG A 184 2.965 3.476 35.278 1.00 20.50 O ATOM 137 CB ARG A 184 4.772 6.187 35.229 1.00 25.72 C ATOM 138 CG ARG A 184 5.595 7.148 36.005 1.00 32.26 C ATOM 139 CD ARG A 184 5.757 8.451 35.245 1.00 41.18 C ATOM 140 NE ARG A 184 6.084 9.556 36.114 1.00 46.78 N ATOM 141 CZ ARG A 184 5.197 10.457 36.508 1.00 52.24 C ATOM 142 NH1 ARG A 184 3.942 10.337 36.110 1.00 57.12 N ATOM 143 NH2 ARG A 184 5.549 11.472 37.303 1.00 49.17 N ATOM 144 HE ARG A 184 7.065 9.649 36.447 1.00 0.00 H ATOM 145 HH12 ARG A 184 3.232 11.036 36.410 1.00 0.00 H ATOM 146 HH11 ARG A 184 3.664 9.544 35.497 1.00 0.00 H ATOM 147 HH22 ARG A 184 4.838 12.169 37.602 1.00 0.00 H ATOM 148 HH21 ARG A 184 6.534 11.564 37.623 1.00 0.00 H ATOM 149 H ARG A 184 7.049 4.863 35.208 1.00 0.00 H ATOM 150 N TYR A 185 4.603 3.368 33.745 1.00 27.81 N ATOM 151 CA TYR A 185 3.843 2.411 32.954 1.00 19.65 C ATOM 152 C TYR A 185 3.512 1.181 33.787 1.00 17.42 C ATOM 153 O TYR A 185 2.352 0.775 33.865 1.00 17.54 O ATOM 154 CB TYR A 185 4.610 2.008 31.690 1.00 31.27 C ATOM 155 CG TYR A 185 3.788 1.103 30.799 1.00 22.06 C ATOM 156 CD1 TYR A 185 2.548 1.517 30.336 1.00 22.92 C ATOM 157 CD2 TYR A 185 4.211 -0.184 30.489 1.00 21.60 C ATOM 158 CE1 TYR A 185 1.776 0.706 29.544 1.00 28.39 C ATOM 159 CE2 TYR A 185 3.446 -1.013 29.694 1.00 23.92 C ATOM 160 CZ TYR A 185 2.227 -0.565 29.228 1.00 33.78 C ATOM 161 OH TYR A 185 1.442 -1.374 28.441 1.00 33.50 O ATOM 162 HH TYR A 185 0.611 -0.893 28.201 1.00 0.00 H ATOM 163 H TYR A 185 5.532 3.704 33.419 1.00 0.00 H ATOM 164 N LEU A 186 4.503 0.615 34.479 1.00 16.63 N ATOM 165 CA LEU A 186 4.225 -0.602 35.240 1.00 27.24 C ATOM 166 C LEU A 186 3.257 -0.345 36.394 1.00 31.53 C ATOM 167 O LEU A 186 2.256 -1.059 36.538 1.00 31.35 O ATOM 168 CB LEU A 186 5.513 -1.253 35.755 1.00 27.07 C ATOM 169 CG LEU A 186 6.638 -1.567 34.758 1.00 30.08 C ATOM 170 CD1 LEU A 186 7.670 -2.507 35.387 1.00 22.71 C ATOM 171 CD2 LEU A 186 6.181 -2.008 33.374 1.00 30.19 C ATOM 172 H LEU A 186 5.456 1.032 34.477 1.00 0.00 H ATOM 173 N ARG A 187 3.537 0.664 37.235 1.00 37.92 N ATOM 174 CA ARG A 187 2.677 0.915 38.400 1.00 33.00 C ATOM 175 C ARG A 187 1.251 1.253 37.991 1.00 28.13 C ATOM 176 O ARG A 187 0.286 0.837 38.644 1.00 27.45 O ATOM 177 CB ARG A 187 3.236 2.052 39.244 1.00 31.51 C ATOM 178 CG ARG A 187 2.295 2.483 40.355 1.00 35.86 C ATOM 179 CD ARG A 187 3.018 3.283 41.412 1.00 36.63 C ATOM 180 NE ARG A 187 4.235 2.583 41.790 1.00 34.11 N ATOM 181 CZ ARG A 187 5.440 2.886 41.325 1.00 38.49 C ATOM 182 NH1 ARG A 187 5.587 3.904 40.476 1.00 40.92 N ATOM 183 NH2 ARG A 187 6.489 2.172 41.709 1.00 42.30 N ATOM 184 HE ARG A 187 4.156 1.797 42.466 1.00 0.00 H ATOM 185 HH12 ARG A 187 6.530 4.144 40.110 1.00 0.00 H ATOM 186 HH11 ARG A 187 4.758 4.458 40.180 1.00 0.00 H ATOM 187 HH22 ARG A 187 7.436 2.404 41.348 1.00 0.00 H ATOM 188 HH21 ARG A 187 6.365 1.380 42.371 1.00 0.00 H ATOM 189 H ARG A 187 4.365 1.269 37.061 1.00 0.00 H ATOM 190 N GLU A 188 1.103 2.033 36.929 1.00 28.76 N ATOM 191 CA GLU A 188 -0.223 2.344 36.426 1.00 34.00 C ATOM 192 C GLU A 188 -0.877 1.110 35.799 1.00 33.43 C ATOM 193 O GLU A 188 -2.106 0.996 35.802 1.00 30.88 O ATOM 194 CB GLU A 188 -0.123 3.546 35.469 1.00 28.02 C ATOM 195 CG GLU A 188 -1.403 3.961 34.754 1.00 34.36 C ATOM 196 CD GLU A 188 -1.179 5.042 33.697 1.00 38.71 C ATOM 197 OE1 GLU A 188 -2.085 5.232 32.864 1.00 41.92 O ATOM 198 OE2 GLU A 188 -0.101 5.681 33.703 1.00 36.29 O ATOM 199 H GLU A 188 1.941 2.424 36.454 1.00 0.00 H ATOM 200 N GLN A 189 -0.092 0.177 35.249 1.00 34.56 N ATOM 201 CA GLN A 189 -0.715 -1.022 34.696 1.00 31.24 C ATOM 202 C GLN A 189 -1.195 -1.946 35.804 1.00 25.91 C ATOM 203 O GLN A 189 -2.335 -2.420 35.778 1.00 24.10 O ATOM 204 CB GLN A 189 0.264 -1.784 33.794 1.00 31.27 C ATOM 205 CG GLN A 189 0.489 -1.222 32.394 1.00 24.14 C ATOM 206 CD GLN A 189 -0.618 -1.602 31.442 1.00 36.13 C ATOM 207 OE1 GLN A 189 -0.708 -2.749 30.987 1.00 33.66 O ATOM 208 NE2 GLN A 189 -1.463 -0.622 31.106 1.00 41.58 N ATOM 209 HE22 GLN A 189 -1.347 0.327 31.515 1.00 0.00 H ATOM 210 HE21 GLN A 189 -2.236 -0.809 30.436 1.00 0.00 H ATOM 211 H GLN A 189 0.940 0.303 35.216 1.00 0.00 H ATOM 212 N ALA A 190 -0.373 -2.132 36.832 1.00 26.85 N ATOM 213 CA ALA A 190 -0.717 -3.047 37.912 1.00 30.34 C ATOM 214 C ALA A 190 -1.905 -2.542 38.715 1.00 33.48 C ATOM 215 O ALA A 190 -2.646 -3.342 39.295 1.00 39.30 O ATOM 216 CB ALA A 190 0.486 -3.258 38.823 1.00 18.43 C ATOM 217 H ALA A 190 0.530 -1.616 36.866 1.00 0.00 H ATOM 218 N THR A 191 -2.124 -1.234 38.738 1.00 44.80 N ATOM 219 CA THR A 191 -3.195 -0.642 39.519 1.00 43.39 C ATOM 220 C THR A 191 -4.099 0.137 38.570 1.00 44.26 C ATOM 221 O THR A 191 -3.943 0.086 37.352 1.00 45.12 O ATOM 222 CB THR A 191 -2.622 0.247 40.622 1.00 41.03 C ATOM 223 OG1 THR A 191 -2.144 1.472 40.048 1.00 40.14 O ATOM 224 CG2 THR A 191 -1.472 -0.454 41.305 1.00 41.05 C ATOM 225 HG1 THR A 191 -1.437 1.271 39.385 1.00 0.00 H ATOM 226 H THR A 191 -1.508 -0.611 38.178 1.00 0.00 H ATOM 227 N GLY A 192 -5.057 0.858 39.123 1.00 48.50 N ATOM 228 CA GLY A 192 -5.998 1.540 38.258 1.00 49.47 C ATOM 229 C GLY A 192 -5.600 2.876 37.660 1.00 41.93 C ATOM 230 O GLY A 192 -6.057 3.217 36.568 1.00 43.02 O ATOM 231 H GLY A 192 -5.134 0.935 40.157 1.00 0.00 H ATOM 232 N ALA A 193 -4.788 3.667 38.342 1.00 40.14 N ATOM 233 CA ALA A 193 -4.732 5.074 37.975 1.00 50.44 C ATOM 234 C ALA A 193 -3.316 5.524 37.651 1.00 51.42 C ATOM 235 O ALA A 193 -2.322 4.827 37.893 1.00 43.51 O ATOM 236 CB ALA A 193 -5.326 5.967 39.076 1.00 46.55 C ATOM 237 H ALA A 193 -4.206 3.294 39.119 1.00 0.00 H ATOM 238 N LYS A 194 -3.253 6.718 37.085 1.00 44.33 N ATOM 239 CA LYS A 194 -1.985 7.294 36.704 1.00 41.75 C ATOM 240 C LYS A 194 -1.364 7.992 37.902 1.00 37.12 C ATOM 241 O LYS A 194 -2.056 8.405 38.828 1.00 35.98 O ATOM 242 CB LYS A 194 -2.161 8.258 35.527 1.00 43.74 C ATOM 243 CG LYS A 194 -3.276 7.878 34.557 1.00 43.43 C ATOM 244 CD LYS A 194 -3.450 8.934 33.471 1.00 41.84 C ATOM 245 CE LYS A 194 -4.166 10.174 33.996 1.00 51.92 C ATOM 246 NZ LYS A 194 -5.301 9.930 34.960 1.00 49.32 N ATOM 247 HZ1 LYS A 194 -6.030 9.352 34.496 1.00 0.00 H ATOM 248 HZ2 LYS A 194 -4.941 9.429 35.798 1.00 0.00 H ATOM 249 HZ3 LYS A 194 -5.711 10.841 35.249 1.00 0.00 H ATOM 250 H LYS A 194 -4.130 7.250 36.912 1.00 0.00 H ATOM 251 N ASP A 195 -0.040 8.044 37.903 1.00 37.23 N ATOM 252 CA ASP A 195 0.705 8.909 38.802 1.00 36.15 C ATOM 253 C ASP A 195 0.446 10.363 38.405 1.00 36.03 C ATOM 254 O ASP A 195 0.706 10.749 37.259 1.00 37.11 O ATOM 255 CB ASP A 195 2.191 8.556 38.711 1.00 36.73 C ATOM 256 CG ASP A 195 3.040 9.193 39.815 1.00 45.44 C ATOM 257 OD1 ASP A 195 4.206 8.747 39.959 1.00 37.37 O ATOM 258 OD2 ASP A 195 2.570 10.126 40.521 1.00 34.93 O ATOM 259 H ASP A 195 0.485 7.444 37.236 1.00 0.00 H ATOM 260 N THR A 196 -0.105 11.163 39.331 1.00 34.94 N ATOM 261 CA THR A 196 -0.343 12.580 39.067 1.00 34.98 C ATOM 262 C THR A 196 0.790 13.480 39.572 1.00 39.10 C ATOM 263 O THR A 196 0.589 14.689 39.706 1.00 43.94 O ATOM 264 CB THR A 196 -1.681 13.051 39.654 1.00 34.22 C ATOM 265 OG1 THR A 196 -1.664 12.905 41.074 1.00 33.19 O ATOM 266 CG2 THR A 196 -2.842 12.284 39.081 1.00 34.59 C ATOM 267 HG1 THR A 196 -2.529 13.210 41.446 1.00 0.00 H ATOM 268 H THR A 196 -0.368 10.766 40.256 1.00 0.00 H ATOM 269 N LYS A 197 1.973 12.935 39.828 1.00 35.10 N ATOM 270 CA LYS A 197 3.097 13.796 40.104 1.00 35.49 C ATOM 271 C LYS A 197 3.527 14.491 38.807 1.00 44.54 C ATOM 272 O LYS A 197 3.444 13.907 37.717 1.00 46.67 O ATOM 273 CB LYS A 197 4.283 13.036 40.679 1.00 35.90 C ATOM 274 CG LYS A 197 5.226 13.976 41.430 1.00 35.82 C ATOM 275 CD LYS A 197 6.584 13.394 41.649 1.00 36.41 C ATOM 276 CE LYS A 197 7.254 13.051 40.332 1.00 37.64 C ATOM 277 NZ LYS A 197 8.741 13.153 40.449 1.00 38.70 N ATOM 278 HZ1 LYS A 197 9.001 14.124 40.714 1.00 0.00 H ATOM 279 HZ2 LYS A 197 9.076 12.492 41.178 1.00 0.00 H ATOM 280 HZ3 LYS A 197 9.177 12.914 39.535 1.00 0.00 H ATOM 281 H LYS A 197 2.088 11.901 39.830 1.00 0.00 H ATOM 282 N PRO A 198 3.924 15.757 38.881 1.00 53.33 N ATOM 283 CA PRO A 198 4.510 16.407 37.697 1.00 43.19 C ATOM 284 C PRO A 198 5.834 15.766 37.325 1.00 41.11 C ATOM 285 O PRO A 198 6.607 15.333 38.179 1.00 41.71 O ATOM 286 CB PRO A 198 4.724 17.870 38.134 1.00 39.38 C ATOM 287 CG PRO A 198 4.489 17.880 39.582 1.00 38.19 C ATOM 288 CD PRO A 198 3.585 16.742 39.907 1.00 36.83 C ATOM 289 N MET A 199 6.104 15.732 36.032 1.00 41.19 N ATOM 290 CA MET A 199 7.223 14.965 35.517 1.00 42.25 C ATOM 291 C MET A 199 8.485 15.798 35.429 1.00 44.15 C ATOM 292 O MET A 199 8.442 17.005 35.177 1.00 56.01 O ATOM 293 CB MET A 199 6.873 14.379 34.150 1.00 50.23 C ATOM 294 CG MET A 199 5.909 13.231 34.301 1.00 50.63 C ATOM 295 SD MET A 199 6.017 11.998 33.018 1.00 44.00 S ATOM 296 CE MET A 199 4.314 11.980 32.466 1.00 43.82 C ATOM 297 H MET A 199 5.503 16.265 35.371 1.00 0.00 H ATOM 298 N GLY A 200 9.613 15.127 35.644 1.00 44.10 N ATOM 299 CA GLY A 200 10.916 15.749 35.674 1.00 45.54 C ATOM 300 C GLY A 200 11.363 16.274 34.332 1.00 47.61 C ATOM 301 O GLY A 200 10.535 16.472 33.445 1.00 47.88 O ATOM 302 H GLY A 200 9.554 14.100 35.799 1.00 0.00 H ATOM 303 N ARG A 201 12.662 16.504 34.166 1.00 49.27 N ATOM 304 CA ARG A 201 13.171 17.044 32.911 1.00 51.54 C ATOM 305 C ARG A 201 12.707 16.194 31.728 1.00 52.03 C ATOM 306 O ARG A 201 12.536 14.972 31.840 1.00 51.21 O ATOM 307 CB ARG A 201 14.698 17.123 32.971 1.00 53.30 C ATOM 308 CG ARG A 201 15.394 17.252 31.640 1.00 55.84 C ATOM 309 CD ARG A 201 16.817 17.759 31.818 1.00 57.82 C ATOM 310 NE ARG A 201 17.401 17.347 33.093 1.00 56.84 N ATOM 311 CZ ARG A 201 18.688 17.057 33.276 1.00 58.26 C ATOM 312 NH1 ARG A 201 19.537 17.111 32.255 1.00 60.73 N ATOM 313 NH2 ARG A 201 19.126 16.693 34.478 1.00 57.35 N ATOM 314 HE ARG A 201 16.767 17.275 33.915 1.00 0.00 H ATOM 315 HH12 ARG A 201 20.541 16.884 32.401 1.00 0.00 H ATOM 316 HH11 ARG A 201 19.197 17.380 31.310 1.00 0.00 H ATOM 317 HH22 ARG A 201 20.131 16.467 34.619 1.00 0.00 H ATOM 318 HH21 ARG A 201 18.463 16.634 35.277 1.00 0.00 H ATOM 319 H ARG A 201 13.323 16.296 34.941 1.00 0.00 H ATOM 320 N SER A 202 12.450 16.868 30.601 1.00 53.55 N ATOM 321 CA SER A 202 12.030 16.225 29.350 1.00 54.58 C ATOM 322 C SER A 202 10.680 15.513 29.490 1.00 52.80 C ATOM 323 O SER A 202 10.458 14.438 28.922 1.00 53.19 O ATOM 324 CB SER A 202 13.108 15.260 28.848 1.00 56.10 C ATOM 325 OG SER A 202 12.535 14.034 28.406 1.00 55.87 O ATOM 326 HG SER A 202 12.053 13.607 29.158 1.00 0.00 H ATOM 327 H SER A 202 12.553 17.903 30.612 1.00 0.00 H ATOM 328 N GLY A 203 9.755 16.134 30.219 1.00 36.80 N ATOM 329 CA GLY A 203 8.512 15.468 30.567 1.00 41.09 C ATOM 330 C GLY A 203 7.419 15.495 29.521 1.00 41.93 C ATOM 331 O GLY A 203 6.424 14.785 29.688 1.00 38.32 O ATOM 332 H GLY A 203 9.924 17.108 30.543 1.00 0.00 H ATOM 333 N ALA A 204 7.539 16.335 28.487 1.00 43.88 N ATOM 334 CA ALA A 204 6.585 16.272 27.384 1.00 42.17 C ATOM 335 C ALA A 204 6.875 15.060 26.519 1.00 38.73 C ATOM 336 O ALA A 204 5.951 14.421 25.986 1.00 38.90 O ATOM 337 CB ALA A 204 6.637 17.559 26.561 1.00 51.44 C ATOM 338 H ALA A 204 8.311 17.032 28.469 1.00 0.00 H ATOM 339 N THR A 205 8.164 14.730 26.378 1.00 35.92 N ATOM 340 CA THR A 205 8.519 13.462 25.770 1.00 33.48 C ATOM 341 C THR A 205 8.098 12.315 26.671 1.00 33.24 C ATOM 342 O THR A 205 7.495 11.355 26.203 1.00 32.56 O ATOM 343 CB THR A 205 10.023 13.373 25.468 1.00 30.65 C ATOM 344 OG1 THR A 205 10.486 14.587 24.877 1.00 46.65 O ATOM 345 CG2 THR A 205 10.317 12.220 24.531 1.00 28.22 C ATOM 346 HG1 THR A 205 9.996 14.749 24.032 1.00 0.00 H ATOM 347 H THR A 205 8.908 15.380 26.703 1.00 0.00 H ATOM 348 N SER A 206 8.326 12.421 27.977 1.00 29.96 N ATOM 349 CA SER A 206 7.948 11.310 28.845 1.00 28.09 C ATOM 350 C SER A 206 6.440 11.094 28.876 1.00 30.17 C ATOM 351 O SER A 206 5.976 9.951 28.838 1.00 28.29 O ATOM 352 CB SER A 206 8.527 11.521 30.230 1.00 27.89 C ATOM 353 OG SER A 206 9.934 11.547 30.118 1.00 26.31 O ATOM 354 HG SER A 206 10.203 12.288 29.519 1.00 0.00 H ATOM 355 H SER A 206 8.764 13.278 28.372 1.00 0.00 H ATOM 356 N ARG A 207 5.648 12.163 28.896 1.00 33.46 N ATOM 357 CA ARG A 207 4.212 11.962 28.785 1.00 37.22 C ATOM 358 C ARG A 207 3.857 11.304 27.454 1.00 41.29 C ATOM 359 O ARG A 207 3.016 10.394 27.415 1.00 34.79 O ATOM 360 CB ARG A 207 3.459 13.275 28.970 1.00 40.31 C ATOM 361 CG ARG A 207 1.995 13.046 29.314 1.00 46.75 C ATOM 362 CD ARG A 207 1.358 14.214 30.081 1.00 47.57 C ATOM 363 NE ARG A 207 2.126 14.556 31.269 1.00 46.74 N ATOM 364 CZ ARG A 207 1.751 14.307 32.519 1.00 47.34 C ATOM 365 NH1 ARG A 207 0.601 13.691 32.785 1.00 48.74 N ATOM 366 NH2 ARG A 207 2.547 14.675 33.521 1.00 46.80 N ATOM 367 HE ARG A 207 3.040 15.033 31.128 1.00 0.00 H ATOM 368 HH12 ARG A 207 0.326 13.506 33.771 1.00 0.00 H ATOM 369 HH11 ARG A 207 -0.023 13.395 32.007 1.00 0.00 H ATOM 370 HH22 ARG A 207 2.266 14.486 34.504 1.00 0.00 H ATOM 371 HH21 ARG A 207 3.450 15.151 33.320 1.00 0.00 H ATOM 372 H ARG A 207 6.046 13.119 28.989 1.00 0.00 H ATOM 373 N LYS A 208 4.523 11.712 26.359 1.00 34.92 N ATOM 374 CA LYS A 208 4.205 11.106 25.063 1.00 37.69 C ATOM 375 C LYS A 208 4.639 9.632 25.003 1.00 30.72 C ATOM 376 O LYS A 208 3.851 8.765 24.630 1.00 30.62 O ATOM 377 CB LYS A 208 4.828 11.928 23.924 1.00 35.93 C ATOM 378 CG LYS A 208 3.846 12.909 23.271 1.00 43.52 C ATOM 379 CD LYS A 208 4.508 13.881 22.282 1.00 42.53 C ATOM 380 CE LYS A 208 3.803 15.240 22.233 1.00 47.73 C ATOM 381 NZ LYS A 208 4.514 16.314 23.003 1.00 48.61 N ATOM 382 HZ1 LYS A 208 4.582 16.035 24.003 1.00 0.00 H ATOM 383 HZ2 LYS A 208 5.469 16.445 22.612 1.00 0.00 H ATOM 384 HZ3 LYS A 208 3.982 17.204 22.926 1.00 0.00 H ATOM 385 H LYS A 208 5.254 12.448 26.431 1.00 0.00 H ATOM 386 N ALA A 209 5.888 9.339 25.356 1.00 27.85 N ATOM 387 CA ALA A 209 6.383 7.967 25.433 1.00 35.69 C ATOM 388 C ALA A 209 5.501 7.111 26.323 1.00 40.29 C ATOM 389 O ALA A 209 5.350 5.904 26.085 1.00 38.12 O ATOM 390 CB ALA A 209 7.831 7.944 25.935 1.00 22.34 C ATOM 391 H ALA A 209 6.538 10.118 25.586 1.00 0.00 H ATOM 392 N LEU A 210 4.909 7.718 27.350 1.00 40.55 N ATOM 393 CA LEU A 210 4.034 6.959 28.223 1.00 34.38 C ATOM 394 C LEU A 210 2.718 6.646 27.509 1.00 39.56 C ATOM 395 O LEU A 210 2.202 5.525 27.593 1.00 49.32 O ATOM 396 CB LEU A 210 3.801 7.745 29.509 1.00 28.01 C ATOM 397 CG LEU A 210 3.486 7.021 30.831 1.00 31.46 C ATOM 398 CD1 LEU A 210 3.626 7.990 32.033 1.00 29.45 C ATOM 399 CD2 LEU A 210 2.157 6.150 30.917 1.00 38.47 C ATOM 400 H LEU A 210 5.073 8.730 27.525 1.00 0.00 H ATOM 401 N GLU A 211 2.179 7.614 26.770 1.00 41.41 N ATOM 402 CA GLU A 211 1.007 7.351 25.935 1.00 42.48 C ATOM 403 C GLU A 211 1.286 6.243 24.924 1.00 33.25 C ATOM 404 O GLU A 211 0.420 5.396 24.662 1.00 33.14 O ATOM 405 CB GLU A 211 0.585 8.649 25.220 1.00 45.59 C ATOM 406 CG GLU A 211 -0.520 8.501 24.157 1.00 56.96 C ATOM 407 CD GLU A 211 -0.003 8.034 22.780 1.00 61.09 C ATOM 408 OE1 GLU A 211 1.207 8.186 22.500 1.00 59.63 O ATOM 409 OE2 GLU A 211 -0.812 7.507 21.980 1.00 62.94 O ATOM 410 H GLU A 211 2.596 8.567 26.787 1.00 0.00 H ATOM 411 N THR A 212 2.481 6.266 24.321 1.00 34.33 N ATOM 412 CA THR A 212 2.879 5.249 23.354 1.00 37.81 C ATOM 413 C THR A 212 2.959 3.884 24.008 1.00 31.91 C ATOM 414 O THR A 212 2.473 2.890 23.459 1.00 27.83 O ATOM 415 CB THR A 212 4.210 5.627 22.698 1.00 39.96 C ATOM 416 OG1 THR A 212 4.077 6.895 22.030 1.00 40.24 O ATOM 417 CG2 THR A 212 4.649 4.556 21.719 1.00 44.77 C ATOM 418 HG1 THR A 212 3.375 6.829 21.335 1.00 0.00 H ATOM 419 H THR A 212 3.146 7.032 24.549 1.00 0.00 H ATOM 420 N LEU A 213 3.563 3.816 25.187 1.00 31.41 N ATOM 421 CA LEU A 213 3.576 2.548 25.886 1.00 21.11 C ATOM 422 C LEU A 213 2.165 2.095 26.258 1.00 35.44 C ATOM 423 O LEU A 213 1.921 0.891 26.378 1.00 30.40 O ATOM 424 CB LEU A 213 4.460 2.630 27.127 1.00 28.80 C ATOM 425 CG LEU A 213 5.956 2.369 26.972 1.00 29.63 C ATOM 426 CD1 LEU A 213 6.708 2.774 28.233 1.00 18.40 C ATOM 427 CD2 LEU A 213 6.206 0.891 26.645 1.00 32.87 C ATOM 428 H LEU A 213 4.017 4.655 25.600 1.00 0.00 H ATOM 429 N ARG A 214 1.213 3.009 26.449 1.00 33.50 N ATOM 430 CA ARG A 214 -0.124 2.477 26.701 1.00 31.45 C ATOM 431 C ARG A 214 -0.790 1.961 25.447 1.00 31.38 C ATOM 432 O ARG A 214 -1.592 1.021 25.524 1.00 34.28 O ATOM 433 CB ARG A 214 -1.093 3.485 27.332 1.00 34.53 C ATOM 434 CG ARG A 214 -0.636 4.391 28.453 1.00 43.41 C ATOM 435 CD ARG A 214 -1.801 5.350 28.836 1.00 45.85 C ATOM 436 NE ARG A 214 -1.551 6.105 30.048 1.00 41.24 N ATOM 437 CZ ARG A 214 -0.944 7.281 30.077 1.00 50.17 C ATOM 438 NH1 ARG A 214 -0.524 7.823 28.946 1.00 58.14 N ATOM 439 NH2 ARG A 214 -0.747 7.920 31.231 1.00 56.05 N ATOM 440 HE ARG A 214 -1.868 5.697 30.951 1.00 0.00 H ATOM 441 HH12 ARG A 214 -0.046 8.747 28.958 1.00 0.00 H ATOM 442 HH11 ARG A 214 -0.672 7.326 28.045 1.00 0.00 H ATOM 443 HH22 ARG A 214 -0.269 8.843 31.239 1.00 0.00 H ATOM 444 HH21 ARG A 214 -1.072 7.495 32.123 1.00 0.00 H ATOM 445 H ARG A 214 1.409 4.030 26.421 1.00 0.00 H ATOM 446 N ARG A 215 -0.551 2.598 24.302 1.00 42.32 N ATOM 447 CA ARG A 215 -1.278 2.133 23.129 1.00 42.58 C ATOM 448 C ARG A 215 -0.625 0.895 22.508 1.00 36.25 C ATOM 449 O ARG A 215 -1.333 -0.018 22.064 1.00 32.66 O ATOM 450 CB ARG A 215 -1.412 3.253 22.103 1.00 40.57 C ATOM 451 CG ARG A 215 -1.898 2.744 20.773 1.00 41.89 C ATOM 452 CD ARG A 215 -1.750 3.766 19.693 1.00 47.73 C ATOM 453 NE ARG A 215 -0.561 4.564 19.917 1.00 51.37 N ATOM 454 CZ ARG A 215 0.513 4.518 19.138 1.00 48.05 C ATOM 455 NH1 ARG A 215 0.541 3.684 18.110 1.00 38.56 N ATOM 456 NH2 ARG A 215 1.571 5.288 19.393 1.00 49.83 N ATOM 457 HE ARG A 215 -0.549 5.208 20.733 1.00 0.00 H ATOM 458 HH12 ARG A 215 1.379 3.643 17.496 1.00 0.00 H ATOM 459 HH11 ARG A 215 -0.275 3.070 17.916 1.00 0.00 H ATOM 460 HH22 ARG A 215 2.407 5.244 18.776 1.00 0.00 H ATOM 461 HH21 ARG A 215 1.560 5.933 20.209 1.00 0.00 H ATOM 462 H ARG A 215 0.122 3.389 24.248 1.00 0.00 H ATOM 463 N VAL A 216 0.712 0.837 22.477 1.00 30.95 N ATOM 464 CA VAL A 216 1.406 -0.325 21.924 1.00 33.93 C ATOM 465 C VAL A 216 1.666 -1.396 22.980 1.00 35.96 C ATOM 466 O VAL A 216 1.598 -2.594 22.680 1.00 36.71 O ATOM 467 CB VAL A 216 2.719 0.112 21.248 1.00 31.96 C ATOM 468 CG1 VAL A 216 3.410 -1.072 20.578 1.00 29.20 C ATOM 469 CG2 VAL A 216 2.445 1.212 20.234 1.00 27.86 C ATOM 470 H VAL A 216 1.267 1.632 22.853 1.00 0.00 H ATOM 471 N GLY A 217 1.920 -0.993 24.224 1.00 33.78 N ATOM 472 CA GLY A 217 2.204 -1.976 25.258 1.00 29.77 C ATOM 473 C GLY A 217 1.032 -2.918 25.457 1.00 33.74 C ATOM 474 O GLY A 217 1.207 -4.132 25.580 1.00 44.18 O ATOM 475 H GLY A 217 1.915 0.021 24.455 1.00 0.00 H ATOM 476 N ASP A 218 -0.184 -2.371 25.470 1.00 29.43 N ATOM 477 CA ASP A 218 -1.352 -3.212 25.667 1.00 26.58 C ATOM 478 C ASP A 218 -1.574 -4.135 24.482 1.00 36.59 C ATOM 479 O ASP A 218 -1.977 -5.290 24.665 1.00 38.38 O ATOM 480 CB ASP A 218 -2.591 -2.366 25.947 1.00 30.16 C ATOM 481 CG ASP A 218 -2.465 -1.540 27.234 1.00 52.27 C ATOM 482 OD1 ASP A 218 -1.327 -1.143 27.571 1.00 48.98 O ATOM 483 OD2 ASP A 218 -3.511 -1.334 27.905 1.00 48.83 O ATOM 484 H ASP A 218 -0.296 -1.345 25.339 1.00 0.00 H ATOM 485 N GLY A 219 -1.307 -3.656 23.265 1.00 35.32 N ATOM 486 CA GLY A 219 -1.366 -4.540 22.109 1.00 33.72 C ATOM 487 C GLY A 219 -0.423 -5.724 22.237 1.00 31.22 C ATOM 488 O GLY A 219 -0.817 -6.877 22.031 1.00 24.72 O ATOM 489 H GLY A 219 -1.057 -2.654 23.143 1.00 0.00 H ATOM 490 N VAL A 220 0.834 -5.447 22.600 1.00 30.68 N ATOM 491 CA VAL A 220 1.843 -6.490 22.771 1.00 28.49 C ATOM 492 C VAL A 220 1.439 -7.477 23.869 1.00 42.65 C ATOM 493 O VAL A 220 1.622 -8.691 23.729 1.00 44.87 O ATOM 494 CB VAL A 220 3.205 -5.840 23.087 1.00 25.35 C ATOM 495 CG1 VAL A 220 4.227 -6.892 23.522 1.00 32.53 C ATOM 496 CG2 VAL A 220 3.710 -5.018 21.912 1.00 18.42 C ATOM 497 H VAL A 220 1.102 -4.456 22.766 1.00 0.00 H ATOM 498 N GLN A 221 0.898 -6.971 24.983 1.00 40.57 N ATOM 499 CA GLN A 221 0.486 -7.843 26.081 1.00 34.39 C ATOM 500 C GLN A 221 -0.683 -8.751 25.687 1.00 35.41 C ATOM 501 O GLN A 221 -0.713 -9.923 26.067 1.00 41.63 O ATOM 502 CB GLN A 221 0.100 -7.003 27.286 1.00 41.65 C ATOM 503 CG GLN A 221 1.194 -6.252 27.998 1.00 41.45 C ATOM 504 CD GLN A 221 0.667 -5.624 29.281 1.00 37.09 C ATOM 505 OE1 GLN A 221 1.133 -4.571 29.683 1.00 42.17 O ATOM 506 NE2 GLN A 221 -0.281 -6.286 29.945 1.00 35.12 N ATOM 507 HE22 GLN A 221 -0.652 -7.181 29.567 1.00 0.00 H ATOM 508 HE21 GLN A 221 -0.650 -5.907 30.841 1.00 0.00 H ATOM 509 H GLN A 221 0.769 -5.943 25.069 1.00 0.00 H ATOM 510 N ARG A 222 -1.684 -8.228 24.970 1.00 31.63 N ATOM 511 CA ARG A 222 -2.784 -9.100 24.563 1.00 37.43 C ATOM 512 C ARG A 222 -2.372 -10.054 23.449 1.00 43.04 C ATOM 513 O ARG A 222 -2.984 -11.116 23.301 1.00 51.50 O ATOM 514 CB ARG A 222 -4.012 -8.289 24.103 1.00 43.77 C ATOM 515 CG ARG A 222 -4.437 -7.150 25.021 1.00 56.96 C ATOM 516 CD ARG A 222 -4.578 -7.613 26.475 1.00 71.39 C ATOM 517 NE ARG A 222 -4.759 -6.533 27.435 1.00 74.81 N ATOM 518 CZ ARG A 222 -3.850 -5.602 27.730 1.00 73.78 C ATOM 519 NH1 ARG A 222 -2.666 -5.597 27.147 1.00 67.09 N ATOM 520 NH2 ARG A 222 -4.118 -4.649 28.627 1.00 79.36 N ATOM 521 HE ARG A 222 -5.672 -6.483 27.931 1.00 0.00 H ATOM 522 HH12 ARG A 222 -1.970 -4.863 27.390 1.00 0.00 H ATOM 523 HH11 ARG A 222 -2.429 -6.327 26.445 1.00 0.00 H ATOM 524 HH22 ARG A 222 -3.402 -3.928 28.849 1.00 0.00 H ATOM 525 HH21 ARG A 222 -5.043 -4.628 29.103 1.00 0.00 H ATOM 526 H ARG A 222 -1.680 -7.222 24.708 1.00 0.00 H ATOM 527 N ASN A 223 -1.356 -9.704 22.660 1.00 44.08 N ATOM 528 CA ASN A 223 -0.982 -10.530 21.522 1.00 40.49 C ATOM 529 C ASN A 223 -0.013 -11.638 21.922 1.00 35.08 C ATOM 530 O ASN A 223 0.092 -12.646 21.210 1.00 39.49 O ATOM 531 CB ASN A 223 -0.395 -9.599 20.422 1.00 46.94 C ATOM 532 CG ASN A 223 0.202 -10.343 19.203 1.00 39.38 C ATOM 533 OD1 ASN A 223 1.291 -10.906 19.257 1.00 31.41 O ATOM 534 ND2 ASN A 223 -0.518 -10.300 18.091 1.00 36.53 N ATOM 535 HD22 ASN A 223 -1.437 -9.813 18.085 1.00 0.00 H ATOM 536 HD21 ASN A 223 -0.164 -10.753 17.225 1.00 0.00 H ATOM 537 H ASN A 223 -0.826 -8.832 22.860 1.00 0.00 H ATOM 538 N HIS A 224 0.639 -11.502 23.080 1.00 41.76 N ATOM 539 CA HIS A 224 1.524 -12.523 23.626 1.00 38.81 C ATOM 540 C HIS A 224 1.083 -13.112 24.968 1.00 34.10 C ATOM 541 O HIS A 224 1.939 -13.610 25.706 1.00 33.23 O ATOM 542 CB HIS A 224 2.923 -11.936 23.792 1.00 33.98 C ATOM 543 CG HIS A 224 3.643 -11.702 22.504 1.00 45.17 C ATOM 544 ND1 HIS A 224 3.021 -11.203 21.378 1.00 51.45 N ATOM 545 CD2 HIS A 224 4.940 -11.896 22.167 1.00 45.16 C ATOM 546 CE1 HIS A 224 3.905 -11.103 20.401 1.00 55.09 C ATOM 547 NE2 HIS A 224 5.074 -11.520 20.856 1.00 53.88 N ATOM 548 H HIS A 224 0.508 -10.623 23.619 1.00 0.00 H ATOM 549 N GLU A 225 -0.208 -13.102 25.311 1.00 34.44 N ATOM 550 CA GLU A 225 -0.586 -13.480 26.673 1.00 37.12 C ATOM 551 C GLU A 225 -0.093 -14.876 27.053 1.00 45.50 C ATOM 552 O GLU A 225 0.417 -15.067 28.159 1.00 38.38 O ATOM 553 CB GLU A 225 -2.087 -13.427 26.888 1.00 39.12 C ATOM 554 CG GLU A 225 -2.411 -13.942 28.287 1.00 48.31 C ATOM 555 CD GLU A 225 -3.796 -14.519 28.446 1.00 59.40 C ATOM 556 OE1 GLU A 225 -4.460 -14.811 27.427 1.00 73.41 O ATOM 557 OE2 GLU A 225 -4.244 -14.661 29.613 1.00 53.70 O ATOM 558 H GLU A 225 -0.935 -12.829 24.619 1.00 0.00 H ATOM 559 N THR A 226 -0.284 -15.881 26.174 1.00 44.20 N ATOM 560 CA THR A 226 0.028 -17.257 26.571 1.00 38.11 C ATOM 561 C THR A 226 1.510 -17.416 26.910 1.00 37.18 C ATOM 562 O THR A 226 1.857 -18.044 27.921 1.00 37.13 O ATOM 563 CB THR A 226 -0.406 -18.259 25.490 1.00 46.30 C ATOM 564 OG1 THR A 226 0.459 -18.171 24.352 1.00 54.44 O ATOM 565 CG2 THR A 226 -1.851 -18.006 25.058 1.00 46.15 C ATOM 566 HG1 THR A 226 0.167 -18.822 23.666 1.00 0.00 H ATOM 567 H THR A 226 -0.650 -15.681 25.221 1.00 0.00 H ATOM 568 N ALA A 227 2.399 -16.831 26.104 1.00 37.18 N ATOM 569 CA ALA A 227 3.824 -16.871 26.429 1.00 36.33 C ATOM 570 C ALA A 227 4.125 -16.113 27.719 1.00 33.75 C ATOM 571 O ALA A 227 4.994 -16.523 28.498 1.00 36.22 O ATOM 572 CB ALA A 227 4.645 -16.316 25.271 1.00 36.97 C ATOM 573 H ALA A 227 2.077 -16.345 25.242 1.00 0.00 H ATOM 574 N PHE A 228 3.435 -14.991 27.951 1.00 33.05 N ATOM 575 CA PHE A 228 3.667 -14.209 29.166 1.00 30.18 C ATOM 576 C PHE A 228 3.173 -14.969 30.389 1.00 30.72 C ATOM 577 O PHE A 228 3.801 -14.943 31.450 1.00 30.31 O ATOM 578 CB PHE A 228 2.952 -12.854 29.076 1.00 29.00 C ATOM 579 CG PHE A 228 3.613 -11.861 28.160 1.00 28.45 C ATOM 580 CD1 PHE A 228 4.803 -12.154 27.520 1.00 28.97 C ATOM 581 CD2 PHE A 228 3.035 -10.616 27.939 1.00 48.13 C ATOM 582 CE1 PHE A 228 5.409 -11.226 26.666 1.00 35.76 C ATOM 583 CE2 PHE A 228 3.639 -9.675 27.084 1.00 43.44 C ATOM 584 CZ PHE A 228 4.825 -9.986 26.449 1.00 38.16 C ATOM 585 H PHE A 228 2.726 -14.671 27.261 1.00 0.00 H ATOM 586 N GLN A 229 2.030 -15.632 30.254 1.00 32.05 N ATOM 587 CA GLN A 229 1.484 -16.462 31.313 1.00 33.21 C ATOM 588 C GLN A 229 2.409 -17.630 31.612 1.00 35.14 C ATOM 589 O GLN A 229 2.650 -17.954 32.782 1.00 35.44 O ATOM 590 CB GLN A 229 0.102 -16.956 30.898 1.00 34.76 C ATOM 591 CG GLN A 229 -0.804 -17.229 32.045 1.00 40.95 C ATOM 592 CD GLN A 229 -1.160 -15.951 32.737 1.00 51.35 C ATOM 593 OE1 GLN A 229 -0.545 -15.586 33.738 1.00 55.42 O ATOM 594 NE2 GLN A 229 -2.133 -15.236 32.190 1.00 54.82 N ATOM 595 HE22 GLN A 229 -2.624 -15.588 31.343 1.00 0.00 H ATOM 596 HE21 GLN A 229 -2.406 -14.324 32.608 1.00 0.00 H ATOM 597 H GLN A 229 1.508 -15.554 29.358 1.00 0.00 H ATOM 598 N GLY A 230 2.944 -18.266 30.564 1.00 35.67 N ATOM 599 CA GLY A 230 3.905 -19.332 30.778 1.00 37.42 C ATOM 600 C GLY A 230 5.138 -18.854 31.516 1.00 36.34 C ATOM 601 O GLY A 230 5.538 -19.427 32.537 1.00 37.41 O ATOM 602 H GLY A 230 2.672 -17.997 29.597 1.00 0.00 H ATOM 603 N MET A 231 5.741 -17.771 31.031 1.00 34.53 N ATOM 604 CA MET A 231 6.991 -17.327 31.632 1.00 33.86 C ATOM 605 C MET A 231 6.749 -16.785 33.036 1.00 33.62 C ATOM 606 O MET A 231 7.483 -17.113 33.974 1.00 34.82 O ATOM 607 CB MET A 231 7.647 -16.287 30.725 1.00 37.81 C ATOM 608 CG MET A 231 8.768 -15.488 31.350 1.00 41.10 C ATOM 609 SD MET A 231 10.183 -16.523 31.805 1.00 50.12 S ATOM 610 CE MET A 231 11.163 -16.471 30.311 1.00 58.59 C ATOM 611 H MET A 231 5.325 -17.249 30.234 1.00 0.00 H ATOM 612 N LEU A 232 5.670 -16.030 33.223 1.00 35.12 N ATOM 613 CA LEU A 232 5.339 -15.544 34.556 1.00 36.17 C ATOM 614 C LEU A 232 5.061 -16.701 35.508 1.00 36.99 C ATOM 615 O LEU A 232 5.381 -16.620 36.700 1.00 41.93 O ATOM 616 CB LEU A 232 4.134 -14.592 34.486 1.00 30.94 C ATOM 617 CG LEU A 232 3.449 -14.260 35.813 1.00 31.37 C ATOM 618 CD1 LEU A 232 4.271 -13.298 36.612 1.00 30.86 C ATOM 619 CD2 LEU A 232 2.032 -13.721 35.623 1.00 31.40 C ATOM 620 H LEU A 232 5.061 -15.786 32.416 1.00 0.00 H ATOM 621 N ARG A 233 4.487 -17.792 35.009 1.00 35.27 N ATOM 622 CA ARG A 233 4.130 -18.865 35.928 1.00 37.81 C ATOM 623 C ARG A 233 5.358 -19.675 36.323 1.00 41.05 C ATOM 624 O ARG A 233 5.491 -20.072 37.485 1.00 41.46 O ATOM 625 CB ARG A 233 3.041 -19.771 35.341 1.00 39.25 C ATOM 626 CG ARG A 233 2.724 -20.930 36.270 1.00 42.31 C ATOM 627 CD ARG A 233 1.680 -21.978 35.766 1.00 45.57 C ATOM 628 NE ARG A 233 0.310 -21.485 35.723 1.00 47.21 N ATOM 629 CZ ARG A 233 -0.703 -22.179 35.219 1.00 45.66 C ATOM 630 NH1 ARG A 233 -0.472 -23.381 34.703 1.00 47.83 N ATOM 631 NH2 ARG A 233 -1.940 -21.683 35.199 1.00 45.56 N ATOM 632 HE ARG A 233 0.115 -20.539 36.108 1.00 0.00 H ATOM 633 HH12 ARG A 233 -1.257 -23.935 34.305 1.00 0.00 H ATOM 634 HH11 ARG A 233 0.493 -23.768 34.697 1.00 0.00 H ATOM 635 HH22 ARG A 233 -2.719 -22.244 34.799 1.00 0.00 H ATOM 636 HH21 ARG A 233 -2.126 -20.735 35.583 1.00 0.00 H ATOM 637 H ARG A 233 4.298 -17.877 33.990 1.00 0.00 H ATOM 638 N LYS A 234 6.279 -19.915 35.382 1.00 39.43 N ATOM 639 CA LYS A 234 7.529 -20.566 35.763 1.00 41.37 C ATOM 640 C LYS A 234 8.512 -19.622 36.460 1.00 40.30 C ATOM 641 O LYS A 234 9.563 -20.080 36.923 1.00 42.19 O ATOM 642 CB LYS A 234 8.203 -21.221 34.545 1.00 42.49 C ATOM 643 CG LYS A 234 7.504 -22.432 33.955 1.00 54.64 C ATOM 644 CD LYS A 234 7.131 -23.440 34.999 1.00 67.38 C ATOM 645 CE LYS A 234 5.833 -23.946 34.794 1.00 66.81 C ATOM 646 NZ LYS A 234 4.832 -23.204 35.450 1.00 61.71 N ATOM 647 HZ1 LYS A 234 5.012 -23.211 36.474 1.00 0.00 H ATOM 648 HZ2 LYS A 234 4.844 -22.224 35.102 1.00 0.00 H ATOM 649 HZ3 LYS A 234 3.903 -23.631 35.257 1.00 0.00 H ATOM 650 H LYS A 234 6.107 -19.642 34.393 1.00 0.00 H ATOM 651 N LEU A 235 8.219 -18.328 36.571 1.00 42.75 N ATOM 652 CA LEU A 235 9.119 -17.541 37.405 1.00 43.14 C ATOM 653 C LEU A 235 8.823 -17.703 38.894 1.00 41.38 C ATOM 654 O LEU A 235 9.759 -17.639 39.695 1.00 40.89 O ATOM 655 CB LEU A 235 9.102 -16.064 37.002 1.00 38.88 C ATOM 656 CG LEU A 235 9.686 -15.789 35.607 1.00 36.40 C ATOM 657 CD1 LEU A 235 9.446 -14.368 35.117 1.00 30.92 C ATOM 658 CD2 LEU A 235 11.148 -16.165 35.529 1.00 35.62 C ATOM 659 H LEU A 235 7.399 -17.905 36.092 1.00 0.00 H ATOM 660 N ASP A 236 7.578 -17.977 39.287 1.00 40.25 N ATOM 661 CA ASP A 236 7.269 -18.324 40.678 1.00 43.47 C ATOM 662 C ASP A 236 7.791 -17.252 41.646 1.00 41.94 C ATOM 663 O ASP A 236 8.591 -17.498 42.554 1.00 43.61 O ATOM 664 CB ASP A 236 7.841 -19.715 40.986 1.00 47.47 C ATOM 665 CG ASP A 236 7.629 -20.148 42.422 1.00 55.23 C ATOM 666 OD1 ASP A 236 8.658 -20.331 43.107 1.00 60.25 O ATOM 667 OD2 ASP A 236 6.460 -20.306 42.842 1.00 52.00 O ATOM 668 H ASP A 236 6.807 -17.944 38.590 1.00 0.00 H ATOM 669 N ILE A 237 7.253 -16.054 41.481 1.00 42.89 N ATOM 670 CA ILE A 237 7.731 -14.879 42.198 1.00 45.49 C ATOM 671 C ILE A 237 6.962 -14.754 43.507 1.00 41.53 C ATOM 672 O ILE A 237 5.732 -14.630 43.506 1.00 42.50 O ATOM 673 CB ILE A 237 7.568 -13.620 41.331 1.00 48.64 C ATOM 674 CG1 ILE A 237 8.026 -13.915 39.905 1.00 36.25 C ATOM 675 CG2 ILE A 237 8.294 -12.410 41.952 1.00 39.81 C ATOM 676 CD1 ILE A 237 7.530 -12.930 38.932 1.00 35.00 C ATOM 677 H ILE A 237 6.461 -15.948 40.816 1.00 0.00 H ATOM 678 N LYS A 238 7.688 -14.798 44.625 1.00 42.57 N ATOM 679 CA LYS A 238 7.087 -14.663 45.945 1.00 51.38 C ATOM 680 C LYS A 238 7.324 -13.269 46.508 1.00 56.84 C ATOM 681 O LYS A 238 6.373 -12.529 46.785 1.00 50.76 O ATOM 682 CB LYS A 238 7.659 -15.716 46.908 1.00 49.16 C ATOM 683 CG LYS A 238 7.774 -17.115 46.347 1.00 50.73 C ATOM 684 CD LYS A 238 9.082 -17.757 46.820 1.00 53.54 C ATOM 685 CE LYS A 238 9.375 -19.073 46.105 1.00 54.34 C ATOM 686 NZ LYS A 238 8.155 -19.926 46.006 1.00 48.92 N ATOM 687 HZ1 LYS A 238 7.805 -20.141 46.962 1.00 0.00 H ATOM 688 HZ2 LYS A 238 7.421 -19.418 45.473 1.00 0.00 H ATOM 689 HZ3 LYS A 238 8.392 -20.812 45.515 1.00 0.00 H ATOM 690 H LYS A 238 8.717 -14.933 44.552 1.00 0.00 H ATOM 691 N ASN A 239 8.592 -12.885 46.635 1.00 61.20 N ATOM 692 CA ASN A 239 9.033 -11.777 47.467 1.00 64.11 C ATOM 693 C ASN A 239 9.905 -10.840 46.637 1.00 60.41 C ATOM 694 O ASN A 239 10.170 -11.077 45.459 1.00 56.27 O ATOM 695 CB ASN A 239 9.766 -12.335 48.701 1.00 70.48 C ATOM 696 CG ASN A 239 10.629 -11.311 49.409 1.00 75.12 C ATOM 697 OD1 ASN A 239 11.738 -11.007 48.957 1.00 69.05 O ATOM 698 ND2 ASN A 239 10.121 -10.753 50.506 1.00 82.44 N ATOM 699 HD22 ASN A 239 9.182 -11.041 50.849 1.00 0.00 H ATOM 700 HD21 ASN A 239 10.663 -10.029 51.020 1.00 0.00 H ATOM 701 H ASN A 239 9.315 -13.412 46.104 1.00 0.00 H ATOM 702 N GLU A 240 10.378 -9.775 47.277 1.00 65.74 N ATOM 703 CA GLU A 240 11.224 -8.800 46.616 1.00 64.35 C ATOM 704 C GLU A 240 12.628 -9.331 46.372 1.00 64.46 C ATOM 705 O GLU A 240 13.291 -8.877 45.435 1.00 67.08 O ATOM 706 CB GLU A 240 11.254 -7.546 47.484 1.00 65.30 C ATOM 707 CG GLU A 240 12.455 -6.669 47.336 1.00 62.72 C ATOM 708 CD GLU A 240 12.348 -5.457 48.213 1.00 62.63 C ATOM 709 OE1 GLU A 240 13.047 -4.457 47.939 1.00 65.84 O ATOM 710 OE2 GLU A 240 11.556 -5.517 49.180 1.00 61.31 O ATOM 711 H GLU A 240 10.135 -9.637 48.279 1.00 0.00 H ATOM 712 N ASP A 241 13.088 -10.306 47.162 1.00 72.78 N ATOM 713 CA ASP A 241 14.378 -10.924 46.870 1.00 66.51 C ATOM 714 C ASP A 241 14.317 -11.799 45.623 1.00 51.77 C ATOM 715 O ASP A 241 15.361 -12.102 45.041 1.00 54.05 O ATOM 716 CB ASP A 241 14.900 -11.731 48.057 1.00 75.64 C ATOM 717 CG ASP A 241 16.359 -12.122 47.880 1.00 80.78 C ATOM 718 OD1 ASP A 241 17.097 -11.349 47.228 1.00 74.50 O ATOM 719 OD2 ASP A 241 16.772 -13.190 48.379 1.00 88.38 O ATOM 720 H ASP A 241 12.530 -10.623 47.980 1.00 0.00 H ATOM 721 N ASP A 242 13.121 -12.235 45.221 1.00 47.15 N ATOM 722 CA ASP A 242 12.966 -12.932 43.948 1.00 43.20 C ATOM 723 C ASP A 242 13.191 -12.012 42.756 1.00 50.78 C ATOM 724 O ASP A 242 13.602 -12.487 41.691 1.00 59.23 O ATOM 725 CB ASP A 242 11.573 -13.546 43.854 1.00 43.55 C ATOM 726 CG ASP A 242 11.301 -14.511 44.957 1.00 53.41 C ATOM 727 OD1 ASP A 242 12.265 -14.897 45.649 1.00 60.79 O ATOM 728 OD2 ASP A 242 10.123 -14.855 45.152 1.00 57.53 O ATOM 729 H ASP A 242 12.288 -12.076 45.823 1.00 0.00 H ATOM 730 N VAL A 243 12.914 -10.708 42.908 1.00 50.89 N ATOM 731 CA VAL A 243 13.005 -9.764 41.791 1.00 51.98 C ATOM 732 C VAL A 243 14.352 -9.862 41.086 1.00 45.33 C ATOM 733 O VAL A 243 14.430 -9.845 39.856 1.00 38.04 O ATOM 734 CB VAL A 243 12.738 -8.324 42.277 1.00 54.02 C ATOM 735 CG1 VAL A 243 13.161 -7.309 41.215 1.00 33.13 C ATOM 736 CG2 VAL A 243 11.258 -8.129 42.636 1.00 58.54 C ATOM 737 H VAL A 243 12.627 -10.358 43.844 1.00 0.00 H ATOM 738 N LYS A 244 15.429 -9.960 41.840 1.00 46.52 N ATOM 739 CA LYS A 244 16.757 -9.870 41.254 1.00 51.16 C ATOM 740 C LYS A 244 17.483 -11.206 41.261 1.00 60.09 C ATOM 741 O LYS A 244 18.705 -11.256 41.374 1.00 67.15 O ATOM 742 CB LYS A 244 17.594 -8.806 41.954 1.00 64.27 C ATOM 743 H LYS A 244 15.328 -10.103 42.865 1.00 0.00 H ATOM 744 N SER A 245 16.731 -12.306 41.194 1.00 60.58 N ATOM 745 CA SER A 245 17.167 -13.442 40.401 1.00 41.55 C ATOM 746 C SER A 245 16.391 -13.500 39.103 1.00 35.21 C ATOM 747 O SER A 245 16.781 -14.239 38.191 1.00 36.49 O ATOM 748 CB SER A 245 16.974 -14.769 41.145 1.00 42.06 C ATOM 749 OG SER A 245 15.598 -15.088 41.257 1.00 38.03 O ATOM 750 HG SER A 245 15.134 -14.371 41.757 1.00 0.00 H ATOM 751 H SER A 245 15.830 -12.350 41.711 1.00 0.00 H ATOM 752 N LEU A 246 15.264 -12.777 39.045 1.00 35.86 N ATOM 753 CA LEU A 246 14.487 -12.675 37.816 1.00 39.55 C ATOM 754 C LEU A 246 15.314 -12.023 36.738 1.00 32.33 C ATOM 755 O LEU A 246 15.176 -12.341 35.550 1.00 32.04 O ATOM 756 CB LEU A 246 13.233 -11.842 38.043 1.00 43.34 C ATOM 757 CG LEU A 246 12.011 -12.479 38.664 1.00 51.70 C ATOM 758 CD1 LEU A 246 10.945 -11.392 38.866 1.00 52.60 C ATOM 759 CD2 LEU A 246 11.545 -13.574 37.744 1.00 45.19 C ATOM 760 H LEU A 246 14.936 -12.277 39.896 1.00 0.00 H ATOM 761 N SER A 247 16.137 -11.051 37.149 1.00 42.65 N ATOM 762 CA SER A 247 16.903 -10.229 36.230 1.00 31.23 C ATOM 763 C SER A 247 17.757 -11.108 35.346 1.00 32.11 C ATOM 764 O SER A 247 18.068 -10.738 34.210 1.00 31.74 O ATOM 765 CB SER A 247 17.736 -9.220 37.017 1.00 38.29 C ATOM 766 OG SER A 247 17.010 -8.747 38.145 1.00 45.71 O ATOM 767 HG SER A 247 16.177 -8.308 37.839 1.00 0.00 H ATOM 768 H SER A 247 16.232 -10.877 38.170 1.00 0.00 H ATOM 769 N ARG A 248 18.150 -12.277 35.864 1.00 36.01 N ATOM 770 CA ARG A 248 18.995 -13.195 35.113 1.00 36.49 C ATOM 771 C ARG A 248 18.243 -13.780 33.918 1.00 34.78 C ATOM 772 O ARG A 248 18.788 -13.871 32.809 1.00 35.42 O ATOM 773 CB ARG A 248 19.479 -14.326 36.023 1.00 36.94 C ATOM 774 CG ARG A 248 20.428 -13.944 37.151 1.00 38.06 C ATOM 775 CD ARG A 248 21.453 -15.056 37.377 1.00 41.77 C ATOM 776 NE ARG A 248 22.382 -14.757 38.466 1.00 46.50 N ATOM 777 CZ ARG A 248 23.532 -14.102 38.327 1.00 46.42 C ATOM 778 NH1 ARG A 248 23.893 -13.631 37.140 1.00 42.78 N ATOM 779 NH2 ARG A 248 24.311 -13.896 39.383 1.00 45.16 N ATOM 780 HE ARG A 248 22.125 -15.080 39.420 1.00 0.00 H ATOM 781 HH12 ARG A 248 24.792 -13.120 37.035 1.00 0.00 H ATOM 782 HH11 ARG A 248 23.276 -13.773 36.315 1.00 0.00 H ATOM 783 HH22 ARG A 248 25.210 -13.384 39.274 1.00 0.00 H ATOM 784 HH21 ARG A 248 24.022 -14.247 40.319 1.00 0.00 H ATOM 785 H ARG A 248 17.845 -12.536 36.824 1.00 0.00 H ATOM 786 N VAL A 249 16.991 -14.195 34.116 1.00 34.26 N ATOM 787 CA VAL A 249 16.292 -14.747 32.962 1.00 39.52 C ATOM 788 C VAL A 249 15.987 -13.649 31.939 1.00 37.17 C ATOM 789 O VAL A 249 16.168 -13.857 30.731 1.00 46.42 O ATOM 790 CB VAL A 249 15.064 -15.594 33.400 1.00 34.89 C ATOM 791 CG1 VAL A 249 14.134 -14.850 34.295 1.00 35.62 C ATOM 792 CG2 VAL A 249 14.313 -16.192 32.181 1.00 35.65 C ATOM 793 H VAL A 249 16.535 -14.128 35.049 1.00 0.00 H ATOM 794 N MET A 250 15.642 -12.434 32.390 1.00 35.96 N ATOM 795 CA MET A 250 15.369 -11.364 31.430 1.00 36.88 C ATOM 796 C MET A 250 16.629 -10.912 30.692 1.00 35.77 C ATOM 797 O MET A 250 16.576 -10.656 29.487 1.00 38.81 O ATOM 798 CB MET A 250 14.642 -10.175 32.066 1.00 34.62 C ATOM 799 CG MET A 250 15.308 -9.225 33.077 1.00 43.78 C ATOM 800 SD MET A 250 14.598 -7.522 32.872 1.00 33.80 S ATOM 801 CE MET A 250 15.405 -6.553 34.133 1.00 30.92 C ATOM 802 H MET A 250 15.569 -12.254 33.412 1.00 0.00 H ATOM 803 N ILE A 251 17.758 -10.762 31.384 1.00 31.43 N ATOM 804 CA ILE A 251 18.999 -10.479 30.663 1.00 32.42 C ATOM 805 C ILE A 251 19.259 -11.574 29.646 1.00 34.14 C ATOM 806 O ILE A 251 19.574 -11.295 28.482 1.00 34.75 O ATOM 807 CB ILE A 251 20.185 -10.295 31.628 1.00 33.34 C ATOM 808 CG1 ILE A 251 20.077 -8.942 32.330 1.00 32.10 C ATOM 809 CG2 ILE A 251 21.499 -10.407 30.899 1.00 35.21 C ATOM 810 CD1 ILE A 251 20.814 -8.905 33.643 1.00 33.12 C ATOM 811 H ILE A 251 17.757 -10.845 32.421 1.00 0.00 H ATOM 812 N HIS A 252 19.093 -12.834 30.056 1.00 35.24 N ATOM 813 CA HIS A 252 19.357 -13.945 29.151 1.00 37.38 C ATOM 814 C HIS A 252 18.489 -13.858 27.899 1.00 40.28 C ATOM 815 O HIS A 252 18.954 -14.161 26.790 1.00 39.08 O ATOM 816 CB HIS A 252 19.112 -15.270 29.863 1.00 38.54 C ATOM 817 CG HIS A 252 19.197 -16.445 28.954 1.00 41.00 C ATOM 818 ND1 HIS A 252 20.396 -17.027 28.610 1.00 43.55 N ATOM 819 CD2 HIS A 252 18.243 -17.099 28.253 1.00 41.70 C ATOM 820 CE1 HIS A 252 20.172 -18.020 27.770 1.00 45.74 C ATOM 821 NE2 HIS A 252 18.875 -18.078 27.530 1.00 44.67 N ATOM 822 H HIS A 252 18.773 -13.023 31.027 1.00 0.00 H ATOM 823 N VAL A 253 17.224 -13.446 28.058 1.00 35.54 N ATOM 824 CA VAL A 253 16.280 -13.383 26.940 1.00 35.72 C ATOM 825 C VAL A 253 16.393 -12.114 26.102 1.00 38.95 C ATOM 826 O VAL A 253 16.094 -12.148 24.896 1.00 40.63 O ATOM 827 CB VAL A 253 14.839 -13.518 27.463 1.00 34.75 C ATOM 828 CG1 VAL A 253 13.809 -13.349 26.329 1.00 35.20 C ATOM 829 CG2 VAL A 253 14.667 -14.880 28.155 1.00 36.05 C ATOM 830 H VAL A 253 16.902 -13.162 29.005 1.00 0.00 H ATOM 831 N PHE A 254 16.905 -11.018 26.665 1.00 33.36 N ATOM 832 CA PHE A 254 16.805 -9.743 25.974 1.00 32.44 C ATOM 833 C PHE A 254 18.087 -9.260 25.322 1.00 33.46 C ATOM 834 O PHE A 254 18.008 -8.631 24.268 1.00 33.76 O ATOM 835 CB PHE A 254 16.326 -8.652 26.947 1.00 41.53 C ATOM 836 CG PHE A 254 16.409 -7.240 26.384 1.00 33.62 C ATOM 837 CD1 PHE A 254 17.431 -6.380 26.761 1.00 32.09 C ATOM 838 CD2 PHE A 254 15.477 -6.795 25.471 1.00 32.57 C ATOM 839 CE1 PHE A 254 17.516 -5.086 26.244 1.00 32.18 C ATOM 840 CE2 PHE A 254 15.548 -5.513 24.953 1.00 39.34 C ATOM 841 CZ PHE A 254 16.569 -4.652 25.344 1.00 28.48 C ATOM 842 H PHE A 254 17.373 -11.076 27.592 1.00 0.00 H ATOM 843 N SER A 255 19.260 -9.564 25.873 1.00 37.05 N ATOM 844 CA SER A 255 20.453 -8.808 25.487 1.00 46.86 C ATOM 845 C SER A 255 21.187 -9.325 24.245 1.00 47.93 C ATOM 846 O SER A 255 21.829 -8.523 23.552 1.00 44.43 O ATOM 847 CB SER A 255 21.425 -8.740 26.671 1.00 55.02 C ATOM 848 OG SER A 255 20.840 -8.078 27.784 1.00 49.06 O ATOM 849 HG SER A 255 21.491 -8.051 28.530 1.00 0.00 H ATOM 850 H SER A 255 19.328 -10.332 26.571 1.00 0.00 H ATOM 851 N ASP A 256 21.130 -10.621 23.930 1.00 49.48 N ATOM 852 CA ASP A 256 22.111 -11.149 22.985 1.00 50.21 C ATOM 853 C ASP A 256 21.713 -11.027 21.511 1.00 46.71 C ATOM 854 O ASP A 256 22.597 -11.008 20.645 1.00 49.48 O ATOM 855 CB ASP A 256 22.435 -12.606 23.334 1.00 52.35 C ATOM 856 CG ASP A 256 23.653 -12.724 24.238 1.00 50.94 C ATOM 857 OD1 ASP A 256 23.553 -13.350 25.315 1.00 53.77 O ATOM 858 OD2 ASP A 256 24.718 -12.195 23.859 1.00 52.54 O ATOM 859 H ASP A 256 20.405 -11.239 24.347 1.00 0.00 H ATOM 860 N GLY A 257 20.431 -10.905 21.192 1.00 44.40 N ATOM 861 CA GLY A 257 20.041 -10.763 19.795 1.00 50.42 C ATOM 862 C GLY A 257 20.082 -9.371 19.160 1.00 47.47 C ATOM 863 O GLY A 257 21.006 -8.571 19.348 1.00 44.97 O ATOM 864 H GLY A 257 19.706 -10.911 21.937 1.00 0.00 H ATOM 865 N VAL A 258 19.073 -9.111 18.346 1.00 43.32 N ATOM 866 CA VAL A 258 18.948 -7.872 17.599 1.00 42.80 C ATOM 867 C VAL A 258 18.390 -6.783 18.513 1.00 39.71 C ATOM 868 O VAL A 258 17.484 -7.027 19.314 1.00 39.07 O ATOM 869 CB VAL A 258 18.029 -8.114 16.390 1.00 43.26 C ATOM 870 CG1 VAL A 258 17.346 -6.824 15.928 1.00 41.65 C ATOM 871 CG2 VAL A 258 18.792 -8.755 15.286 1.00 46.86 C ATOM 872 H VAL A 258 18.331 -9.831 18.235 1.00 0.00 H ATOM 873 N THR A 259 18.896 -5.565 18.367 1.00 39.72 N ATOM 874 CA THR A 259 18.399 -4.407 19.097 1.00 37.29 C ATOM 875 C THR A 259 17.508 -3.586 18.172 1.00 36.54 C ATOM 876 O THR A 259 17.962 -3.106 17.126 1.00 38.24 O ATOM 877 CB THR A 259 19.573 -3.557 19.585 1.00 38.18 C ATOM 878 OG1 THR A 259 20.466 -4.354 20.378 1.00 39.36 O ATOM 879 CG2 THR A 259 19.096 -2.348 20.341 1.00 36.07 C ATOM 880 HG1 THR A 259 21.221 -3.793 20.687 1.00 0.00 H ATOM 881 H THR A 259 19.683 -5.431 17.701 1.00 0.00 H ATOM 882 N ASN A 260 16.271 -3.360 18.591 1.00 34.22 N ATOM 883 CA ASN A 260 15.336 -2.513 17.854 1.00 33.53 C ATOM 884 C ASN A 260 14.240 -2.058 18.814 1.00 32.64 C ATOM 885 O ASN A 260 14.169 -2.519 19.958 1.00 29.95 O ATOM 886 CB ASN A 260 14.799 -3.245 16.619 1.00 34.81 C ATOM 887 CG ASN A 260 14.041 -4.522 16.961 1.00 34.24 C ATOM 888 OD1 ASN A 260 13.359 -4.610 17.975 1.00 32.27 O ATOM 889 ND2 ASN A 260 14.171 -5.528 16.098 1.00 36.26 N ATOM 890 HD22 ASN A 260 14.760 -5.412 15.249 1.00 0.00 H ATOM 891 HD21 ASN A 260 13.684 -6.430 16.273 1.00 0.00 H ATOM 892 H ASN A 260 15.954 -3.802 19.477 1.00 0.00 H ATOM 893 N TRP A 261 13.356 -1.172 18.332 1.00 30.40 N ATOM 894 CA TRP A 261 12.356 -0.603 19.236 1.00 30.18 C ATOM 895 C TRP A 261 11.265 -1.607 19.605 1.00 27.34 C ATOM 896 O TRP A 261 10.748 -1.566 20.734 1.00 25.84 O ATOM 897 CB TRP A 261 11.705 0.665 18.648 1.00 37.30 C ATOM 898 CG TRP A 261 12.510 1.952 18.806 1.00 35.83 C ATOM 899 CD1 TRP A 261 12.982 2.776 17.810 1.00 36.84 C ATOM 900 CD2 TRP A 261 12.955 2.534 20.042 1.00 37.18 C ATOM 901 NE1 TRP A 261 13.677 3.835 18.358 1.00 31.21 N ATOM 902 CE2 TRP A 261 13.677 3.707 19.722 1.00 29.35 C ATOM 903 CE3 TRP A 261 12.809 2.176 21.389 1.00 34.43 C ATOM 904 CZ2 TRP A 261 14.257 4.507 20.687 1.00 29.36 C ATOM 905 CZ3 TRP A 261 13.382 2.978 22.358 1.00 31.72 C ATOM 906 CH2 TRP A 261 14.101 4.132 22.001 1.00 40.17 C ATOM 907 HE1 TRP A 261 14.127 4.605 17.823 1.00 0.00 H ATOM 908 H TRP A 261 13.381 -0.893 17.330 1.00 0.00 H ATOM 909 N GLY A 262 10.894 -2.503 18.685 1.00 28.33 N ATOM 910 CA GLY A 262 9.933 -3.545 19.028 1.00 27.70 C ATOM 911 C GLY A 262 10.361 -4.408 20.207 1.00 33.43 C ATOM 912 O GLY A 262 9.557 -4.716 21.095 1.00 28.67 O ATOM 913 H GLY A 262 11.291 -2.457 17.725 1.00 0.00 H ATOM 914 N ARG A 263 11.638 -4.794 20.247 1.00 28.17 N ATOM 915 CA ARG A 263 12.101 -5.709 21.284 1.00 28.02 C ATOM 916 C ARG A 263 12.152 -5.023 22.647 1.00 34.57 C ATOM 917 O ARG A 263 11.786 -5.629 23.667 1.00 37.25 O ATOM 918 CB ARG A 263 13.455 -6.276 20.857 1.00 30.13 C ATOM 919 CG ARG A 263 14.182 -7.175 21.810 1.00 37.45 C ATOM 920 CD ARG A 263 14.614 -8.389 20.929 1.00 36.57 C ATOM 921 NE ARG A 263 15.319 -9.449 21.610 1.00 34.21 N ATOM 922 CZ ARG A 263 16.601 -9.711 21.434 1.00 36.42 C ATOM 923 NH1 ARG A 263 17.313 -8.979 20.604 1.00 37.62 N ATOM 924 NH2 ARG A 263 17.186 -10.708 22.087 1.00 44.86 N ATOM 925 HE ARG A 263 14.786 -10.041 22.278 1.00 0.00 H ATOM 926 HH12 ARG A 263 18.323 -9.185 20.465 1.00 0.00 H ATOM 927 HH11 ARG A 263 16.866 -8.195 20.087 1.00 0.00 H ATOM 928 HH22 ARG A 263 18.197 -10.904 21.939 1.00 0.00 H ATOM 929 HH21 ARG A 263 16.634 -11.293 22.746 1.00 0.00 H ATOM 930 H ARG A 263 12.307 -4.440 19.534 1.00 0.00 H ATOM 931 N ILE A 264 12.545 -3.742 22.670 1.00 37.81 N ATOM 932 CA ILE A 264 12.502 -2.924 23.884 1.00 24.95 C ATOM 933 C ILE A 264 11.072 -2.733 24.380 1.00 23.38 C ATOM 934 O ILE A 264 10.806 -2.771 25.593 1.00 22.45 O ATOM 935 CB ILE A 264 13.184 -1.574 23.613 1.00 26.91 C ATOM 936 CG1 ILE A 264 14.570 -1.819 23.024 1.00 27.41 C ATOM 937 CG2 ILE A 264 13.236 -0.759 24.888 1.00 24.68 C ATOM 938 CD1 ILE A 264 15.405 -0.596 22.815 1.00 28.35 C ATOM 939 H ILE A 264 12.895 -3.311 21.790 1.00 0.00 H ATOM 940 N VAL A 265 10.128 -2.510 23.460 1.00 23.32 N ATOM 941 CA VAL A 265 8.740 -2.375 23.898 1.00 26.54 C ATOM 942 C VAL A 265 8.209 -3.701 24.441 1.00 38.37 C ATOM 943 O VAL A 265 7.399 -3.706 25.378 1.00 41.71 O ATOM 944 CB VAL A 265 7.859 -1.810 22.766 1.00 26.29 C ATOM 945 CG1 VAL A 265 7.374 -2.902 21.840 1.00 24.31 C ATOM 946 CG2 VAL A 265 6.691 -1.045 23.336 1.00 25.43 C ATOM 947 H VAL A 265 10.376 -2.434 22.453 1.00 0.00 H ATOM 948 N THR A 266 8.667 -4.841 23.892 1.00 37.92 N ATOM 949 CA THR A 266 8.267 -6.129 24.447 1.00 23.18 C ATOM 950 C THR A 266 8.848 -6.305 25.844 1.00 23.22 C ATOM 951 O THR A 266 8.176 -6.816 26.745 1.00 24.71 O ATOM 952 CB THR A 266 8.707 -7.274 23.528 1.00 24.50 C ATOM 953 OG1 THR A 266 8.049 -7.157 22.266 1.00 28.38 O ATOM 954 CG2 THR A 266 8.294 -8.610 24.121 1.00 24.74 C ATOM 955 HG1 THR A 266 8.287 -6.291 21.850 1.00 0.00 H ATOM 956 H THR A 266 9.306 -4.804 23.072 1.00 0.00 H ATOM 957 N LEU A 267 10.088 -5.861 26.045 1.00 24.81 N ATOM 958 CA LEU A 267 10.689 -5.855 27.374 1.00 23.81 C ATOM 959 C LEU A 267 9.792 -5.117 28.370 1.00 26.67 C ATOM 960 O LEU A 267 9.352 -5.670 29.389 1.00 20.64 O ATOM 961 CB LEU A 267 12.068 -5.196 27.276 1.00 23.34 C ATOM 962 CG LEU A 267 12.993 -5.001 28.470 1.00 28.40 C ATOM 963 CD1 LEU A 267 13.687 -6.275 28.803 1.00 24.81 C ATOM 964 CD2 LEU A 267 14.025 -3.928 28.205 1.00 35.42 C ATOM 965 H LEU A 267 10.640 -5.511 25.236 1.00 0.00 H ATOM 966 N ILE A 268 9.455 -3.871 28.048 1.00 32.66 N ATOM 967 CA ILE A 268 8.678 -3.070 28.993 1.00 33.77 C ATOM 968 C ILE A 268 7.253 -3.613 29.165 1.00 24.29 C ATOM 969 O ILE A 268 6.662 -3.485 30.249 1.00 18.71 O ATOM 970 CB ILE A 268 8.728 -1.598 28.543 1.00 19.86 C ATOM 971 CG1 ILE A 268 10.188 -1.126 28.543 1.00 20.71 C ATOM 972 CG2 ILE A 268 7.823 -0.718 29.400 1.00 19.34 C ATOM 973 CD1 ILE A 268 10.461 0.089 27.662 1.00 21.26 C ATOM 974 H ILE A 268 9.742 -3.470 27.132 1.00 0.00 H ATOM 975 N SER A 269 6.691 -4.254 28.130 1.00 25.10 N ATOM 976 CA SER A 269 5.322 -4.768 28.232 1.00 25.96 C ATOM 977 C SER A 269 5.257 -6.020 29.096 1.00 30.27 C ATOM 978 O SER A 269 4.262 -6.247 29.800 1.00 28.29 O ATOM 979 CB SER A 269 4.726 -5.073 26.846 1.00 23.31 C ATOM 980 OG SER A 269 4.994 -4.065 25.885 1.00 32.46 O ATOM 981 HG SER A 269 5.973 -3.968 25.774 1.00 0.00 H ATOM 982 H SER A 269 7.229 -4.387 27.250 1.00 0.00 H ATOM 983 N PHE A 270 6.281 -6.875 29.033 1.00 38.39 N ATOM 984 CA PHE A 270 6.282 -7.979 29.985 1.00 31.54 C ATOM 985 C PHE A 270 6.529 -7.478 31.398 1.00 32.13 C ATOM 986 O PHE A 270 5.995 -8.052 32.353 1.00 29.38 O ATOM 987 CB PHE A 270 7.303 -9.056 29.626 1.00 21.22 C ATOM 988 CG PHE A 270 7.158 -10.301 30.463 1.00 21.75 C ATOM 989 CD1 PHE A 270 5.958 -11.000 30.483 1.00 21.85 C ATOM 990 CD2 PHE A 270 8.193 -10.744 31.250 1.00 22.36 C ATOM 991 CE1 PHE A 270 5.807 -12.141 31.247 1.00 26.72 C ATOM 992 CE2 PHE A 270 8.060 -11.886 32.027 1.00 26.96 C ATOM 993 CZ PHE A 270 6.857 -12.584 32.029 1.00 29.63 C ATOM 994 H PHE A 270 7.044 -6.758 28.336 1.00 0.00 H ATOM 995 N GLY A 271 7.348 -6.430 31.553 1.00 32.77 N ATOM 996 CA GLY A 271 7.425 -5.758 32.844 1.00 20.39 C ATOM 997 C GLY A 271 6.058 -5.367 33.378 1.00 24.89 C ATOM 998 O GLY A 271 5.754 -5.574 34.556 1.00 18.79 O ATOM 999 H GLY A 271 7.927 -6.097 30.756 1.00 0.00 H ATOM 1000 N ALA A 272 5.200 -4.824 32.516 1.00 18.67 N ATOM 1001 CA ALA A 272 3.858 -4.491 32.979 1.00 24.09 C ATOM 1002 C ALA A 272 3.062 -5.741 33.348 1.00 27.00 C ATOM 1003 O ALA A 272 2.330 -5.740 34.348 1.00 26.25 O ATOM 1004 CB ALA A 272 3.130 -3.674 31.918 1.00 18.16 C ATOM 1005 H ALA A 272 5.482 -4.641 31.532 1.00 0.00 H ATOM 1006 N PHE A 273 3.205 -6.819 32.565 1.00 30.86 N ATOM 1007 CA PHE A 273 2.554 -8.096 32.885 1.00 27.90 C ATOM 1008 C PHE A 273 2.921 -8.596 34.288 1.00 30.93 C ATOM 1009 O PHE A 273 2.041 -8.882 35.117 1.00 40.07 O ATOM 1010 CB PHE A 273 2.944 -9.136 31.838 1.00 32.51 C ATOM 1011 CG PHE A 273 1.979 -10.278 31.726 1.00 37.44 C ATOM 1012 CD1 PHE A 273 2.228 -11.466 32.402 1.00 28.61 C ATOM 1013 CD2 PHE A 273 0.802 -10.153 31.000 1.00 34.21 C ATOM 1014 CE1 PHE A 273 1.352 -12.502 32.329 1.00 22.25 C ATOM 1015 CE2 PHE A 273 -0.083 -11.212 30.920 1.00 29.22 C ATOM 1016 CZ PHE A 273 0.196 -12.382 31.589 1.00 22.89 C ATOM 1017 H PHE A 273 3.792 -6.750 31.709 1.00 0.00 H ATOM 1018 N VAL A 274 4.227 -8.743 34.561 1.00 19.38 N ATOM 1019 CA VAL A 274 4.686 -9.193 35.874 1.00 19.78 C ATOM 1020 C VAL A 274 4.259 -8.220 36.971 1.00 39.55 C ATOM 1021 O VAL A 274 3.938 -8.645 38.090 1.00 42.86 O ATOM 1022 CB VAL A 274 6.214 -9.394 35.884 1.00 20.27 C ATOM 1023 CG1 VAL A 274 6.707 -9.708 37.282 1.00 20.90 C ATOM 1024 CG2 VAL A 274 6.644 -10.461 34.884 1.00 20.97 C ATOM 1025 H VAL A 274 4.928 -8.532 33.822 1.00 0.00 H ATOM 1026 N ALA A 275 4.193 -6.917 36.667 1.00 30.94 N ATOM 1027 CA ALA A 275 3.779 -5.958 37.692 1.00 32.46 C ATOM 1028 C ALA A 275 2.327 -6.171 38.086 1.00 19.44 C ATOM 1029 O ALA A 275 1.999 -6.176 39.281 1.00 20.03 O ATOM 1030 CB ALA A 275 3.990 -4.522 37.208 1.00 31.53 C ATOM 1031 H ALA A 275 4.434 -6.589 35.710 1.00 0.00 H ATOM 1032 N LYS A 276 1.454 -6.381 37.096 1.00 19.84 N ATOM 1033 CA LYS A 276 0.060 -6.704 37.385 1.00 26.62 C ATOM 1034 C LYS A 276 -0.039 -7.944 38.261 1.00 32.84 C ATOM 1035 O LYS A 276 -0.773 -7.964 39.265 1.00 33.88 O ATOM 1036 CB LYS A 276 -0.711 -6.920 36.083 1.00 20.42 C ATOM 1037 CG LYS A 276 -1.049 -5.657 35.345 1.00 20.28 C ATOM 1038 CD LYS A 276 -2.030 -5.914 34.223 1.00 20.74 C ATOM 1039 CE LYS A 276 -1.789 -4.960 33.064 1.00 22.44 C ATOM 1040 NZ LYS A 276 -2.906 -4.983 32.085 1.00 28.68 N ATOM 1041 HZ1 LYS A 276 -3.009 -5.944 31.700 1.00 0.00 H ATOM 1042 HZ2 LYS A 276 -3.788 -4.703 32.560 1.00 0.00 H ATOM 1043 HZ3 LYS A 276 -2.701 -4.319 31.311 1.00 0.00 H ATOM 1044 H LYS A 276 1.772 -6.313 36.108 1.00 0.00 H ATOM 1045 N HIS A 277 0.711 -8.994 37.900 1.00 37.12 N ATOM 1046 CA HIS A 277 0.689 -10.198 38.722 1.00 33.38 C ATOM 1047 C HIS A 277 1.103 -9.877 40.150 1.00 27.92 C ATOM 1048 O HIS A 277 0.474 -10.349 41.107 1.00 28.27 O ATOM 1049 CB HIS A 277 1.607 -11.276 38.134 1.00 28.71 C ATOM 1050 CG HIS A 277 1.850 -12.425 39.061 1.00 22.35 C ATOM 1051 ND1 HIS A 277 0.872 -13.334 39.394 1.00 30.49 N ATOM 1052 CD2 HIS A 277 2.942 -12.767 39.784 1.00 22.81 C ATOM 1053 CE1 HIS A 277 1.366 -14.214 40.248 1.00 32.44 C ATOM 1054 NE2 HIS A 277 2.620 -13.891 40.502 1.00 27.71 N ATOM 1055 H HIS A 277 1.301 -8.951 37.045 1.00 0.00 H ATOM 1056 N LEU A 278 2.134 -9.038 40.317 1.00 24.23 N ATOM 1057 CA LEU A 278 2.610 -8.749 41.664 1.00 29.74 C ATOM 1058 C LEU A 278 1.625 -7.908 42.447 1.00 31.66 C ATOM 1059 O LEU A 278 1.569 -8.020 43.679 1.00 38.12 O ATOM 1060 CB LEU A 278 3.967 -8.051 41.651 1.00 34.52 C ATOM 1061 CG LEU A 278 5.100 -8.786 40.957 1.00 37.28 C ATOM 1062 CD1 LEU A 278 6.253 -7.823 40.699 1.00 37.09 C ATOM 1063 CD2 LEU A 278 5.527 -9.968 41.809 1.00 32.13 C ATOM 1064 H LEU A 278 2.591 -8.597 39.493 1.00 0.00 H ATOM 1065 N LYS A 279 0.790 -7.129 41.764 1.00 29.03 N ATOM 1066 CA LYS A 279 -0.268 -6.460 42.505 1.00 37.96 C ATOM 1067 C LYS A 279 -1.366 -7.436 42.900 1.00 43.20 C ATOM 1068 O LYS A 279 -2.036 -7.219 43.918 1.00 54.22 O ATOM 1069 CB LYS A 279 -0.855 -5.302 41.687 1.00 32.22 C ATOM 1070 CG LYS A 279 -2.252 -4.842 42.129 1.00 33.37 C ATOM 1071 CD LYS A 279 -2.178 -3.604 43.014 1.00 41.47 C ATOM 1072 CE LYS A 279 -3.514 -3.334 43.686 1.00 44.37 C ATOM 1073 NZ LYS A 279 -3.576 -3.960 45.033 1.00 43.27 N ATOM 1074 HZ1 LYS A 279 -3.452 -4.989 44.942 1.00 0.00 H ATOM 1075 HZ2 LYS A 279 -2.819 -3.570 45.630 1.00 0.00 H ATOM 1076 HZ3 LYS A 279 -4.500 -3.758 45.466 1.00 0.00 H ATOM 1077 H LYS A 279 0.890 -7.003 40.737 1.00 0.00 H ATOM 1078 N THR A 280 -1.521 -8.540 42.162 1.00 34.70 N ATOM 1079 CA THR A 280 -2.497 -9.539 42.579 1.00 32.81 C ATOM 1080 C THR A 280 -2.049 -10.301 43.831 1.00 30.51 C ATOM 1081 O THR A 280 -2.870 -10.573 44.712 1.00 26.43 O ATOM 1082 CB THR A 280 -2.788 -10.487 41.418 1.00 43.14 C ATOM 1083 OG1 THR A 280 -3.598 -9.796 40.460 1.00 35.82 O ATOM 1084 CG2 THR A 280 -3.526 -11.747 41.903 1.00 48.88 C ATOM 1085 HG1 THR A 280 -3.795 -10.399 39.700 1.00 0.00 H ATOM 1086 H THR A 280 -0.953 -8.684 41.303 1.00 0.00 H ATOM 1087 N ILE A 281 -0.758 -10.618 43.956 1.00 33.83 N ATOM 1088 CA ILE A 281 -0.286 -11.452 45.063 1.00 32.66 C ATOM 1089 C ILE A 281 0.165 -10.555 46.212 1.00 44.67 C ATOM 1090 O ILE A 281 0.997 -10.947 47.042 1.00 46.63 O ATOM 1091 CB ILE A 281 0.819 -12.431 44.613 1.00 28.39 C ATOM 1092 CG1 ILE A 281 2.037 -11.692 44.089 1.00 35.76 C ATOM 1093 CG2 ILE A 281 0.336 -13.266 43.437 1.00 26.90 C ATOM 1094 CD1 ILE A 281 3.239 -12.572 43.974 1.00 38.58 C ATOM 1095 H ILE A 281 -0.076 -10.266 43.255 1.00 0.00 H ATOM 1096 N ASN A 282 -0.392 -9.340 46.247 1.00 43.84 N ATOM 1097 CA ASN A 282 -0.180 -8.335 47.299 1.00 39.70 C ATOM 1098 C ASN A 282 1.311 -8.070 47.544 1.00 37.60 C ATOM 1099 O ASN A 282 1.791 -8.015 48.673 1.00 45.19 O ATOM 1100 CB ASN A 282 -0.925 -8.772 48.572 1.00 43.98 C ATOM 1101 CG ASN A 282 -0.813 -7.771 49.752 1.00 52.17 C ATOM 1102 OD1 ASN A 282 0.058 -7.889 50.617 1.00 54.51 O ATOM 1103 ND2 ASN A 282 -1.730 -6.806 49.795 1.00 50.01 N ATOM 1104 HD22 ASN A 282 -2.449 -6.738 49.047 1.00 0.00 H ATOM 1105 HD21 ASN A 282 -1.727 -6.120 50.577 1.00 0.00 H ATOM 1106 H ASN A 282 -1.028 -9.085 45.465 1.00 0.00 H ATOM 1107 N GLN A 283 2.050 -7.835 46.462 1.00 43.82 N ATOM 1108 CA GLN A 283 3.452 -7.420 46.572 1.00 37.37 C ATOM 1109 C GLN A 283 3.738 -6.253 45.634 1.00 34.28 C ATOM 1110 O GLN A 283 4.722 -6.247 44.891 1.00 37.93 O ATOM 1111 CB GLN A 283 4.417 -8.581 46.319 1.00 39.58 C ATOM 1112 CG GLN A 283 4.090 -9.820 47.100 1.00 39.98 C ATOM 1113 CD GLN A 283 5.058 -9.996 48.236 1.00 48.67 C ATOM 1114 OE1 GLN A 283 6.080 -9.313 48.292 1.00 45.69 O ATOM 1115 NE2 GLN A 283 4.728 -10.873 49.178 1.00 60.52 N ATOM 1116 HE22 GLN A 283 3.853 -11.429 49.088 1.00 0.00 H ATOM 1117 HE21 GLN A 283 5.344 -11.004 50.005 1.00 0.00 H ATOM 1118 H GLN A 283 1.624 -7.948 45.520 1.00 0.00 H ATOM 1119 N GLU A 284 2.897 -5.217 45.717 1.00 32.61 N ATOM 1120 CA GLU A 284 3.083 -4.007 44.926 1.00 34.81 C ATOM 1121 C GLU A 284 4.383 -3.289 45.280 1.00 29.33 C ATOM 1122 O GLU A 284 4.954 -2.589 44.438 1.00 29.85 O ATOM 1123 CB GLU A 284 1.893 -3.082 45.158 1.00 49.77 C ATOM 1124 CG GLU A 284 2.137 -1.634 44.829 1.00 72.01 C ATOM 1125 CD GLU A 284 0.860 -0.829 44.754 1.00 86.15 C ATOM 1126 OE1 GLU A 284 0.352 -0.446 45.827 1.00 93.50 O ATOM 1127 OE2 GLU A 284 0.409 -0.534 43.629 1.00 88.61 O ATOM 1128 H GLU A 284 2.086 -5.276 46.365 1.00 0.00 H ATOM 1129 N SER A 285 4.888 -3.484 46.493 1.00 29.71 N ATOM 1130 CA SER A 285 6.182 -2.945 46.874 1.00 32.77 C ATOM 1131 C SER A 285 7.317 -3.472 46.022 1.00 29.39 C ATOM 1132 O SER A 285 8.415 -2.910 46.075 1.00 42.40 O ATOM 1133 CB SER A 285 6.452 -3.251 48.345 1.00 39.49 C ATOM 1134 OG SER A 285 6.875 -4.585 48.513 1.00 31.73 O ATOM 1135 HG SER A 285 7.043 -4.758 49.473 1.00 0.00 H ATOM 1136 H SER A 285 4.344 -4.036 47.187 1.00 0.00 H ATOM 1137 N CYS A 286 7.094 -4.525 45.250 1.00 26.44 N ATOM 1138 CA CYS A 286 8.125 -5.065 44.376 1.00 38.65 C ATOM 1139 C CYS A 286 8.027 -4.528 42.958 1.00 28.40 C ATOM 1140 O CYS A 286 8.903 -4.815 42.136 1.00 22.78 O ATOM 1141 CB CYS A 286 8.056 -6.600 44.357 1.00 34.21 C ATOM 1142 SG CYS A 286 7.937 -7.307 45.998 1.00 55.11 S ATOM 1143 H CYS A 286 6.158 -4.978 45.269 1.00 0.00 H ATOM 1144 N ILE A 287 7.008 -3.723 42.668 1.00 24.35 N ATOM 1145 CA ILE A 287 6.904 -3.148 41.340 1.00 23.85 C ATOM 1146 C ILE A 287 8.045 -2.172 41.091 1.00 29.54 C ATOM 1147 O ILE A 287 8.614 -2.134 39.994 1.00 24.15 O ATOM 1148 CB ILE A 287 5.532 -2.486 41.160 1.00 24.91 C ATOM 1149 CG1 ILE A 287 4.434 -3.502 41.471 1.00 23.91 C ATOM 1150 CG2 ILE A 287 5.413 -1.863 39.771 1.00 24.89 C ATOM 1151 CD1 ILE A 287 3.023 -3.025 41.182 1.00 25.15 C ATOM 1152 H ILE A 287 6.290 -3.507 43.389 1.00 0.00 H ATOM 1153 N GLU A 288 8.461 -1.437 42.115 1.00 27.47 N ATOM 1154 CA GLU A 288 9.467 -0.434 41.827 1.00 29.00 C ATOM 1155 C GLU A 288 10.841 -1.068 41.618 1.00 28.35 C ATOM 1156 O GLU A 288 11.495 -0.742 40.623 1.00 28.13 O ATOM 1157 CB GLU A 288 9.476 0.641 42.920 1.00 32.53 C ATOM 1158 CG GLU A 288 10.480 1.796 42.722 1.00 34.80 C ATOM 1159 CD GLU A 288 10.144 2.724 41.533 1.00 40.39 C ATOM 1160 OE1 GLU A 288 11.061 3.422 41.067 1.00 39.14 O ATOM 1161 OE2 GLU A 288 8.973 2.778 41.114 1.00 45.49 O ATOM 1162 H GLU A 288 8.084 -1.574 43.075 1.00 0.00 H ATOM 1163 N PRO A 289 11.302 -1.998 42.462 1.00 31.46 N ATOM 1164 CA PRO A 289 12.565 -2.694 42.129 1.00 34.85 C ATOM 1165 C PRO A 289 12.568 -3.342 40.748 1.00 30.95 C ATOM 1166 O PRO A 289 13.555 -3.247 39.996 1.00 30.27 O ATOM 1167 CB PRO A 289 12.681 -3.764 43.223 1.00 40.00 C ATOM 1168 CG PRO A 289 11.665 -3.444 44.259 1.00 36.18 C ATOM 1169 CD PRO A 289 10.878 -2.243 43.852 1.00 32.91 C ATOM 1170 N LEU A 290 11.446 -3.935 40.362 1.00 23.22 N ATOM 1171 CA LEU A 290 11.337 -4.489 39.028 1.00 21.40 C ATOM 1172 C LEU A 290 11.661 -3.429 37.979 1.00 37.52 C ATOM 1173 O LEU A 290 12.626 -3.567 37.216 1.00 31.78 O ATOM 1174 CB LEU A 290 9.929 -5.061 38.848 1.00 20.11 C ATOM 1175 CG LEU A 290 9.480 -5.443 37.452 1.00 19.36 C ATOM 1176 CD1 LEU A 290 10.251 -6.694 37.089 1.00 21.94 C ATOM 1177 CD2 LEU A 290 7.989 -5.747 37.399 1.00 18.51 C ATOM 1178 H LEU A 290 10.642 -4.002 41.019 1.00 0.00 H ATOM 1179 N ALA A 291 10.897 -2.327 37.992 1.00 30.30 N ATOM 1180 CA ALA A 291 11.158 -1.180 37.116 1.00 28.03 C ATOM 1181 C ALA A 291 12.628 -0.809 37.103 1.00 28.91 C ATOM 1182 O ALA A 291 13.246 -0.706 36.028 1.00 24.17 O ATOM 1183 CB ALA A 291 10.331 0.038 37.556 1.00 25.88 C ATOM 1184 H ALA A 291 10.090 -2.284 38.647 1.00 0.00 H ATOM 1185 N GLU A 292 13.221 -0.642 38.288 1.00 26.12 N ATOM 1186 CA GLU A 292 14.618 -0.244 38.319 1.00 27.62 C ATOM 1187 C GLU A 292 15.455 -1.238 37.528 1.00 30.41 C ATOM 1188 O GLU A 292 16.174 -0.866 36.590 1.00 32.29 O ATOM 1189 CB GLU A 292 15.102 -0.125 39.758 1.00 29.98 C ATOM 1190 CG GLU A 292 14.092 0.600 40.626 1.00 36.52 C ATOM 1191 CD GLU A 292 14.639 1.040 41.961 1.00 40.13 C ATOM 1192 OE1 GLU A 292 14.431 0.291 42.934 1.00 44.01 O ATOM 1193 OE2 GLU A 292 15.330 2.078 42.008 1.00 38.23 O ATOM 1194 H GLU A 292 12.693 -0.794 39.171 1.00 0.00 H ATOM 1195 N SER A 293 15.282 -2.527 37.831 1.00 34.47 N ATOM 1196 CA SER A 293 16.057 -3.548 37.147 1.00 31.01 C ATOM 1197 C SER A 293 15.832 -3.459 35.645 1.00 30.40 C ATOM 1198 O SER A 293 16.800 -3.394 34.870 1.00 23.78 O ATOM 1199 CB SER A 293 15.676 -4.926 37.683 1.00 34.95 C ATOM 1200 OG SER A 293 16.606 -5.907 37.282 1.00 42.83 O ATOM 1201 HG SER A 293 16.332 -6.787 37.644 1.00 0.00 H ATOM 1202 H SER A 293 14.591 -2.801 38.558 1.00 0.00 H ATOM 1203 N ILE A 294 14.564 -3.333 35.219 1.00 22.04 N ATOM 1204 CA ILE A 294 14.321 -3.221 33.782 1.00 22.91 C ATOM 1205 C ILE A 294 15.046 -2.003 33.227 1.00 29.20 C ATOM 1206 O ILE A 294 15.828 -2.115 32.269 1.00 22.77 O ATOM 1207 CB ILE A 294 12.816 -3.173 33.450 1.00 31.80 C ATOM 1208 CG1 ILE A 294 12.109 -4.505 33.750 1.00 29.44 C ATOM 1209 CG2 ILE A 294 12.614 -2.739 31.995 1.00 22.15 C ATOM 1210 CD1 ILE A 294 10.579 -4.404 33.770 1.00 20.66 C ATOM 1211 H ILE A 294 13.774 -3.316 35.895 1.00 0.00 H ATOM 1212 N THR A 295 14.869 -0.841 33.872 1.00 23.67 N ATOM 1213 CA THR A 295 15.565 0.349 33.396 1.00 35.25 C ATOM 1214 C THR A 295 17.059 0.099 33.341 1.00 31.25 C ATOM 1215 O THR A 295 17.704 0.334 32.302 1.00 25.99 O ATOM 1216 CB THR A 295 15.240 1.567 34.264 1.00 26.71 C ATOM 1217 OG1 THR A 295 13.823 1.800 34.274 1.00 26.43 O ATOM 1218 CG2 THR A 295 16.003 2.780 33.776 1.00 28.35 C ATOM 1219 HG1 THR A 295 13.362 1.005 34.642 1.00 0.00 H ATOM 1220 H THR A 295 14.243 -0.789 34.701 1.00 0.00 H ATOM 1221 N ASP A 296 17.611 -0.472 34.419 1.00 26.43 N ATOM 1222 CA ASP A 296 19.057 -0.645 34.458 1.00 28.65 C ATOM 1223 C ASP A 296 19.533 -1.594 33.366 1.00 37.36 C ATOM 1224 O ASP A 296 20.620 -1.392 32.809 1.00 35.78 O ATOM 1225 CB ASP A 296 19.499 -1.155 35.822 1.00 29.27 C ATOM 1226 CG ASP A 296 21.008 -1.379 35.909 1.00 44.97 C ATOM 1227 OD1 ASP A 296 21.764 -0.388 35.982 1.00 51.74 O ATOM 1228 OD2 ASP A 296 21.421 -2.563 35.895 1.00 52.39 O ATOM 1229 H ASP A 296 17.018 -0.786 35.214 1.00 0.00 H ATOM 1230 N VAL A 297 18.727 -2.605 33.016 1.00 25.39 N ATOM 1231 CA VAL A 297 19.189 -3.521 31.988 1.00 26.56 C ATOM 1232 C VAL A 297 19.127 -2.848 30.634 1.00 37.89 C ATOM 1233 O VAL A 297 20.026 -3.030 29.802 1.00 45.71 O ATOM 1234 CB VAL A 297 18.376 -4.830 32.024 1.00 25.53 C ATOM 1235 CG1 VAL A 297 18.533 -5.593 30.726 1.00 24.15 C ATOM 1236 CG2 VAL A 297 18.827 -5.695 33.208 1.00 24.76 C ATOM 1237 H VAL A 297 17.798 -2.730 33.467 1.00 0.00 H ATOM 1238 N LEU A 298 18.125 -2.000 30.415 1.00 32.20 N ATOM 1239 CA LEU A 298 17.972 -1.420 29.093 1.00 24.57 C ATOM 1240 C LEU A 298 19.042 -0.368 28.848 1.00 34.06 C ATOM 1241 O LEU A 298 19.760 -0.417 27.845 1.00 26.61 O ATOM 1242 CB LEU A 298 16.575 -0.832 28.957 1.00 24.00 C ATOM 1243 CG LEU A 298 16.430 0.181 27.827 1.00 37.63 C ATOM 1244 CD1 LEU A 298 16.386 -0.554 26.504 1.00 24.98 C ATOM 1245 CD2 LEU A 298 15.230 1.152 28.046 1.00 25.14 C ATOM 1246 H LEU A 298 17.462 -1.757 31.179 1.00 0.00 H ATOM 1247 N VAL A 299 19.214 0.551 29.803 1.00 37.28 N ATOM 1248 CA VAL A 299 20.118 1.679 29.605 1.00 35.69 C ATOM 1249 C VAL A 299 21.569 1.231 29.631 1.00 40.97 C ATOM 1250 O VAL A 299 22.418 1.842 28.971 1.00 48.62 O ATOM 1251 CB VAL A 299 19.855 2.781 30.650 1.00 33.12 C ATOM 1252 CG1 VAL A 299 20.627 4.031 30.294 1.00 48.13 C ATOM 1253 CG2 VAL A 299 18.382 3.123 30.693 1.00 28.52 C ATOM 1254 H VAL A 299 18.696 0.461 30.700 1.00 0.00 H ATOM 1255 N ARG A 300 21.884 0.162 30.362 1.00 35.92 N ATOM 1256 CA ARG A 300 23.275 -0.268 30.472 1.00 41.72 C ATOM 1257 C ARG A 300 23.760 -0.906 29.170 1.00 49.35 C ATOM 1258 O ARG A 300 24.709 -0.419 28.536 1.00 51.53 O ATOM 1259 CB ARG A 300 23.431 -1.235 31.650 1.00 38.37 C ATOM 1260 H ARG A 300 21.137 -0.367 30.855 1.00 0.00 H ATOM 1261 N THR A 301 23.104 -1.996 28.753 1.00 42.99 N ATOM 1262 CA THR A 301 23.474 -2.807 27.595 1.00 40.16 C ATOM 1263 C THR A 301 23.162 -2.140 26.254 1.00 33.42 C ATOM 1264 O THR A 301 23.653 -2.618 25.226 1.00 31.66 O ATOM 1265 CB THR A 301 22.806 -4.201 27.682 1.00 34.57 C ATOM 1266 OG1 THR A 301 21.432 -4.139 27.267 1.00 35.86 O ATOM 1267 CG2 THR A 301 22.875 -4.757 29.094 1.00 30.14 C ATOM 1268 HG1 THR A 301 20.939 -3.512 27.854 1.00 0.00 H ATOM 1269 H THR A 301 22.266 -2.288 29.295 1.00 0.00 H ATOM 1270 N LYS A 302 22.345 -1.077 26.229 1.00 33.71 N ATOM 1271 CA LYS A 302 21.844 -0.489 24.988 1.00 36.90 C ATOM 1272 C LYS A 302 22.119 1.010 24.860 1.00 43.86 C ATOM 1273 O LYS A 302 21.641 1.634 23.896 1.00 33.10 O ATOM 1274 CB LYS A 302 20.336 -0.733 24.852 1.00 28.08 C ATOM 1275 CG LYS A 302 19.932 -2.174 24.873 1.00 27.66 C ATOM 1276 CD LYS A 302 20.534 -2.838 23.694 1.00 34.36 C ATOM 1277 CE LYS A 302 20.140 -4.295 23.562 1.00 35.58 C ATOM 1278 NZ LYS A 302 21.267 -5.269 23.713 1.00 39.62 N ATOM 1279 HZ1 LYS A 302 21.983 -5.085 22.981 1.00 0.00 H ATOM 1280 HZ2 LYS A 302 21.695 -5.159 24.654 1.00 0.00 H ATOM 1281 HZ3 LYS A 302 20.903 -6.238 23.608 1.00 0.00 H ATOM 1282 H LYS A 302 22.055 -0.652 27.133 1.00 0.00 H ATOM 1283 N ARG A 303 22.926 1.584 25.759 1.00 50.37 N ATOM 1284 CA ARG A 303 23.061 3.032 25.840 1.00 31.66 C ATOM 1285 C ARG A 303 23.466 3.643 24.500 1.00 32.55 C ATOM 1286 O ARG A 303 22.808 4.571 24.010 1.00 32.58 O ATOM 1287 CB ARG A 303 24.066 3.420 26.924 1.00 33.16 C ATOM 1288 CG ARG A 303 24.225 4.942 27.021 1.00 40.60 C ATOM 1289 CD ARG A 303 25.309 5.391 27.976 1.00 44.76 C ATOM 1290 NE ARG A 303 24.996 5.180 29.384 1.00 46.87 N ATOM 1291 CZ ARG A 303 24.251 5.999 30.128 1.00 42.92 C ATOM 1292 NH1 ARG A 303 23.714 7.097 29.613 1.00 42.97 N ATOM 1293 NH2 ARG A 303 24.034 5.717 31.407 1.00 41.40 N ATOM 1294 HE ARG A 303 25.381 4.329 29.842 1.00 0.00 H ATOM 1295 HH12 ARG A 303 23.136 7.723 30.210 1.00 0.00 H ATOM 1296 HH11 ARG A 303 23.871 7.332 28.612 1.00 0.00 H ATOM 1297 HH22 ARG A 303 23.453 6.354 31.989 1.00 0.00 H ATOM 1298 HH21 ARG A 303 24.445 4.859 31.827 1.00 0.00 H ATOM 1299 H ARG A 303 23.468 0.984 26.413 1.00 0.00 H ATOM 1300 N ASP A 304 24.541 3.128 23.886 1.00 38.72 N ATOM 1301 CA ASP A 304 25.001 3.684 22.608 1.00 46.70 C ATOM 1302 C ASP A 304 23.872 3.700 21.589 1.00 34.06 C ATOM 1303 O ASP A 304 23.582 4.738 20.972 1.00 37.11 O ATOM 1304 CB ASP A 304 26.195 2.889 22.056 1.00 47.23 C ATOM 1305 CG ASP A 304 27.422 2.946 22.959 1.00 59.41 C ATOM 1306 OD1 ASP A 304 27.534 3.862 23.797 1.00 69.70 O ATOM 1307 OD2 ASP A 304 28.327 2.118 22.766 1.00 63.80 O ATOM 1308 H ASP A 304 25.051 2.331 24.317 1.00 0.00 H ATOM 1309 N TRP A 305 23.154 2.585 21.483 1.00 33.18 N ATOM 1310 CA TRP A 305 22.035 2.519 20.558 1.00 33.08 C ATOM 1311 C TRP A 305 21.009 3.585 20.911 1.00 37.00 C ATOM 1312 O TRP A 305 20.644 4.416 20.069 1.00 40.69 O ATOM 1313 CB TRP A 305 21.431 1.119 20.604 1.00 32.46 C ATOM 1314 CG TRP A 305 20.427 0.827 19.558 1.00 33.12 C ATOM 1315 CD1 TRP A 305 20.662 0.287 18.335 1.00 34.92 C ATOM 1316 CD2 TRP A 305 19.014 1.067 19.629 1.00 32.61 C ATOM 1317 NE1 TRP A 305 19.484 0.147 17.643 1.00 35.66 N ATOM 1318 CE2 TRP A 305 18.457 0.619 18.415 1.00 34.25 C ATOM 1319 CE3 TRP A 305 18.165 1.605 20.607 1.00 31.35 C ATOM 1320 CZ2 TRP A 305 17.099 0.704 18.143 1.00 34.75 C ATOM 1321 CZ3 TRP A 305 16.815 1.681 20.339 1.00 31.70 C ATOM 1322 CH2 TRP A 305 16.297 1.246 19.108 1.00 33.43 C ATOM 1323 HE1 TRP A 305 19.388 -0.253 16.688 1.00 0.00 H ATOM 1324 H TRP A 305 23.395 1.757 22.065 1.00 0.00 H ATOM 1325 N LEU A 306 20.636 3.657 22.197 1.00 31.43 N ATOM 1326 CA LEU A 306 19.640 4.630 22.625 1.00 35.32 C ATOM 1327 C LEU A 306 20.097 6.047 22.340 1.00 41.76 C ATOM 1328 O LEU A 306 19.273 6.895 21.979 1.00 37.72 O ATOM 1329 CB LEU A 306 19.330 4.459 24.114 1.00 30.63 C ATOM 1330 CG LEU A 306 18.543 3.187 24.462 1.00 34.66 C ATOM 1331 CD1 LEU A 306 18.541 2.830 25.941 1.00 28.09 C ATOM 1332 CD2 LEU A 306 17.127 3.283 23.888 1.00 35.57 C ATOM 1333 H LEU A 306 21.061 3.013 22.894 1.00 0.00 H ATOM 1334 N VAL A 307 21.406 6.305 22.393 1.00 39.74 N ATOM 1335 CA VAL A 307 21.827 7.676 22.147 1.00 40.89 C ATOM 1336 C VAL A 307 21.765 7.986 20.663 1.00 43.87 C ATOM 1337 O VAL A 307 21.347 9.083 20.267 1.00 48.19 O ATOM 1338 CB VAL A 307 23.226 7.934 22.734 1.00 44.50 C ATOM 1339 CG1 VAL A 307 23.833 9.185 22.127 1.00 52.60 C ATOM 1340 CG2 VAL A 307 23.128 8.113 24.232 1.00 38.15 C ATOM 1341 H VAL A 307 22.097 5.556 22.602 1.00 0.00 H ATOM 1342 N LYS A 308 22.127 7.020 19.815 1.00 38.73 N ATOM 1343 CA LYS A 308 22.156 7.320 18.390 1.00 37.96 C ATOM 1344 C LYS A 308 20.764 7.334 17.785 1.00 40.54 C ATOM 1345 O LYS A 308 20.558 7.984 16.751 1.00 47.65 O ATOM 1346 CB LYS A 308 23.050 6.325 17.644 1.00 42.15 C ATOM 1347 CG LYS A 308 24.502 6.337 18.106 1.00 49.02 C ATOM 1348 CD LYS A 308 25.413 5.647 17.097 1.00 55.34 C ATOM 1349 CE LYS A 308 26.706 5.146 17.746 1.00 54.79 C ATOM 1350 NZ LYS A 308 27.795 4.912 16.735 1.00 51.23 N ATOM 1351 HZ1 LYS A 308 27.480 4.198 16.047 1.00 0.00 H ATOM 1352 HZ2 LYS A 308 28.005 5.803 16.241 1.00 0.00 H ATOM 1353 HZ3 LYS A 308 28.650 4.574 17.221 1.00 0.00 H ATOM 1354 H LYS A 308 22.383 6.074 20.164 1.00 0.00 H ATOM 1355 N GLN A 309 19.810 6.643 18.411 1.00 39.16 N ATOM 1356 CA GLN A 309 18.429 6.629 17.956 1.00 41.80 C ATOM 1357 C GLN A 309 17.593 7.663 18.684 1.00 45.46 C ATOM 1358 O GLN A 309 16.363 7.627 18.595 1.00 52.47 O ATOM 1359 CB GLN A 309 17.824 5.223 18.100 1.00 30.45 C ATOM 1360 CG GLN A 309 17.961 4.381 16.819 1.00 31.36 C ATOM 1361 CD GLN A 309 19.409 4.166 16.383 1.00 39.11 C ATOM 1362 OE1 GLN A 309 19.800 4.528 15.268 1.00 43.58 O ATOM 1363 NE2 GLN A 309 20.204 3.560 17.250 1.00 34.37 N ATOM 1364 HE22 GLN A 309 19.836 3.271 18.179 1.00 0.00 H ATOM 1365 HE21 GLN A 309 21.197 3.373 17.003 1.00 0.00 H ATOM 1366 H GLN A 309 20.064 6.093 19.257 1.00 0.00 H ATOM 1367 N ARG A 310 18.245 8.578 19.402 1.00 45.17 N ATOM 1368 CA ARG A 310 17.636 9.741 20.041 1.00 45.05 C ATOM 1369 C ARG A 310 16.789 9.394 21.256 1.00 37.62 C ATOM 1370 O ARG A 310 15.973 10.213 21.687 1.00 39.46 O ATOM 1371 CB ARG A 310 16.805 10.556 19.044 1.00 46.29 C ATOM 1372 CG ARG A 310 17.618 11.082 17.891 1.00 57.74 C ATOM 1373 CD ARG A 310 17.413 12.560 17.730 1.00 63.84 C ATOM 1374 NE ARG A 310 16.013 12.847 17.455 1.00 66.06 N ATOM 1375 CZ ARG A 310 15.456 12.736 16.256 1.00 68.27 C ATOM 1376 NH1 ARG A 310 16.188 12.345 15.221 1.00 69.60 N ATOM 1377 NH2 ARG A 310 14.172 13.022 16.090 1.00 69.07 N ATOM 1378 HE ARG A 310 15.413 13.158 18.246 1.00 0.00 H ATOM 1379 HH12 ARG A 310 15.753 12.257 14.280 1.00 0.00 H ATOM 1380 HH11 ARG A 310 17.196 12.126 15.350 1.00 0.00 H ATOM 1381 HH22 ARG A 310 13.737 12.934 15.149 1.00 0.00 H ATOM 1382 HH21 ARG A 310 13.600 13.334 16.900 1.00 0.00 H ATOM 1383 H ARG A 310 19.271 8.453 19.516 1.00 0.00 H ATOM 1384 N GLY A 311 16.949 8.197 21.819 1.00 38.92 N ATOM 1385 CA GLY A 311 16.298 7.929 23.092 1.00 33.35 C ATOM 1386 C GLY A 311 14.791 7.888 22.967 1.00 28.31 C ATOM 1387 O GLY A 311 14.222 7.275 22.053 1.00 29.19 O ATOM 1388 H GLY A 311 17.529 7.468 21.357 1.00 0.00 H ATOM 1389 N TRP A 312 14.127 8.532 23.920 1.00 30.72 N ATOM 1390 CA TRP A 312 12.675 8.437 23.981 1.00 32.65 C ATOM 1391 C TRP A 312 11.968 9.268 22.918 1.00 34.54 C ATOM 1392 O TRP A 312 10.846 8.922 22.521 1.00 34.46 O ATOM 1393 CB TRP A 312 12.209 8.830 25.371 1.00 34.83 C ATOM 1394 CG TRP A 312 12.704 7.847 26.357 1.00 32.63 C ATOM 1395 CD1 TRP A 312 13.783 7.970 27.184 1.00 31.39 C ATOM 1396 CD2 TRP A 312 12.205 6.528 26.540 1.00 31.75 C ATOM 1397 NE1 TRP A 312 13.935 6.834 27.930 1.00 34.36 N ATOM 1398 CE2 TRP A 312 12.987 5.923 27.541 1.00 32.88 C ATOM 1399 CE3 TRP A 312 11.150 5.805 25.974 1.00 28.10 C ATOM 1400 CZ2 TRP A 312 12.748 4.636 27.985 1.00 24.77 C ATOM 1401 CZ3 TRP A 312 10.913 4.528 26.422 1.00 26.08 C ATOM 1402 CH2 TRP A 312 11.707 3.957 27.414 1.00 24.51 C ATOM 1403 HE1 TRP A 312 14.651 6.686 28.670 1.00 0.00 H ATOM 1404 H TRP A 312 14.642 9.102 24.621 1.00 0.00 H ATOM 1405 N ASP A 313 12.588 10.348 22.433 1.00 37.77 N ATOM 1406 CA ASP A 313 12.018 11.028 21.274 1.00 44.96 C ATOM 1407 C ASP A 313 12.013 10.096 20.066 1.00 37.28 C ATOM 1408 O ASP A 313 10.988 9.941 19.396 1.00 36.66 O ATOM 1409 CB ASP A 313 12.756 12.349 20.982 1.00 47.25 C ATOM 1410 CG ASP A 313 12.256 13.542 21.849 1.00 53.92 C ATOM 1411 OD1 ASP A 313 11.035 13.829 21.884 1.00 54.51 O ATOM 1412 OD2 ASP A 313 13.087 14.222 22.489 1.00 63.27 O ATOM 1413 H ASP A 313 13.462 10.698 22.874 1.00 0.00 H ATOM 1414 N GLY A 314 13.110 9.383 19.838 1.00 35.27 N ATOM 1415 CA GLY A 314 13.091 8.373 18.794 1.00 47.09 C ATOM 1416 C GLY A 314 12.052 7.296 19.048 1.00 27.64 C ATOM 1417 O GLY A 314 11.332 6.888 18.140 1.00 27.53 O ATOM 1418 H GLY A 314 13.971 9.545 20.399 1.00 0.00 H ATOM 1419 N PHE A 315 11.874 6.908 20.305 1.00 29.31 N ATOM 1420 CA PHE A 315 10.877 5.892 20.613 1.00 26.29 C ATOM 1421 C PHE A 315 9.482 6.367 20.232 1.00 28.75 C ATOM 1422 O PHE A 315 8.721 5.635 19.595 1.00 28.27 O ATOM 1423 CB PHE A 315 10.963 5.532 22.099 1.00 25.84 C ATOM 1424 CG PHE A 315 9.743 4.826 22.659 1.00 32.64 C ATOM 1425 CD1 PHE A 315 8.709 5.558 23.226 1.00 29.46 C ATOM 1426 CD2 PHE A 315 9.646 3.426 22.631 1.00 34.41 C ATOM 1427 CE1 PHE A 315 7.596 4.928 23.761 1.00 52.53 C ATOM 1428 CE2 PHE A 315 8.531 2.770 23.163 1.00 33.43 C ATOM 1429 CZ PHE A 315 7.506 3.511 23.729 1.00 44.52 C ATOM 1430 H PHE A 315 12.444 7.328 21.067 1.00 0.00 H ATOM 1431 N VAL A 316 9.136 7.602 20.591 1.00 32.30 N ATOM 1432 CA VAL A 316 7.812 8.128 20.259 1.00 35.14 C ATOM 1433 C VAL A 316 7.642 8.291 18.754 1.00 35.12 C ATOM 1434 O VAL A 316 6.605 7.922 18.188 1.00 35.48 O ATOM 1435 CB VAL A 316 7.564 9.447 20.993 1.00 39.88 C ATOM 1436 CG1 VAL A 316 6.318 10.126 20.431 1.00 43.81 C ATOM 1437 CG2 VAL A 316 7.436 9.171 22.437 1.00 40.39 C ATOM 1438 H VAL A 316 9.812 8.197 21.111 1.00 0.00 H ATOM 1439 N GLU A 317 8.648 8.865 18.085 1.00 35.11 N ATOM 1440 CA GLU A 317 8.544 9.043 16.636 1.00 36.54 C ATOM 1441 C GLU A 317 8.406 7.714 15.909 1.00 32.50 C ATOM 1442 O GLU A 317 7.759 7.650 14.856 1.00 33.43 O ATOM 1443 CB GLU A 317 9.752 9.812 16.084 1.00 38.80 C ATOM 1444 CG GLU A 317 10.124 11.069 16.872 1.00 53.96 C ATOM 1445 CD GLU A 317 11.291 11.840 16.264 1.00 59.65 C ATOM 1446 OE1 GLU A 317 11.393 11.866 15.021 1.00 66.14 O ATOM 1447 OE2 GLU A 317 12.106 12.373 17.046 1.00 57.96 O ATOM 1448 H GLU A 317 9.499 9.183 18.591 1.00 0.00 H ATOM 1449 N PHE A 318 8.997 6.641 16.449 1.00 36.84 N ATOM 1450 CA PHE A 318 8.982 5.373 15.730 1.00 28.16 C ATOM 1451 C PHE A 318 7.599 4.745 15.782 1.00 28.62 C ATOM 1452 O PHE A 318 7.145 4.146 14.804 1.00 28.81 O ATOM 1453 CB PHE A 318 10.044 4.419 16.306 1.00 26.32 C ATOM 1454 CG PHE A 318 10.004 3.019 15.728 1.00 28.82 C ATOM 1455 CD1 PHE A 318 10.886 2.665 14.717 1.00 42.05 C ATOM 1456 CD2 PHE A 318 9.129 2.054 16.211 1.00 31.55 C ATOM 1457 CE1 PHE A 318 10.877 1.384 14.168 1.00 51.96 C ATOM 1458 CE2 PHE A 318 9.108 0.773 15.676 1.00 39.26 C ATOM 1459 CZ PHE A 318 9.988 0.435 14.652 1.00 48.19 C ATOM 1460 H PHE A 318 9.464 6.712 17.376 1.00 0.00 H ATOM 1461 N PHE A 319 6.892 4.907 16.895 1.00 29.25 N ATOM 1462 CA PHE A 319 5.563 4.335 17.048 1.00 35.07 C ATOM 1463 C PHE A 319 4.455 5.341 16.809 1.00 38.23 C ATOM 1464 O PHE A 319 3.314 5.106 17.225 1.00 37.92 O ATOM 1465 CB PHE A 319 5.409 3.706 18.427 1.00 29.32 C ATOM 1466 CG PHE A 319 6.240 2.484 18.620 1.00 27.82 C ATOM 1467 CD1 PHE A 319 5.878 1.315 18.007 1.00 26.05 C ATOM 1468 CD2 PHE A 319 7.355 2.486 19.437 1.00 38.02 C ATOM 1469 CE1 PHE A 319 6.617 0.175 18.178 1.00 24.45 C ATOM 1470 CE2 PHE A 319 8.101 1.332 19.607 1.00 23.71 C ATOM 1471 CZ PHE A 319 7.731 0.187 18.977 1.00 23.34 C ATOM 1472 H PHE A 319 7.299 5.457 17.678 1.00 0.00 H ATOM 1473 N HIS A 320 4.754 6.442 16.128 1.00 39.55 N ATOM 1474 CA HIS A 320 3.762 7.497 15.980 1.00 43.43 C ATOM 1475 C HIS A 320 2.667 7.092 15.000 1.00 47.86 C ATOM 1476 O HIS A 320 2.897 6.338 14.051 1.00 52.22 O ATOM 1477 CB HIS A 320 4.414 8.793 15.509 1.00 40.12 C ATOM 1478 CG HIS A 320 3.455 9.933 15.377 1.00 44.95 C ATOM 1479 ND1 HIS A 320 2.902 10.297 14.167 1.00 46.56 N ATOM 1480 CD2 HIS A 320 2.948 10.786 16.300 1.00 49.17 C ATOM 1481 CE1 HIS A 320 2.096 11.327 14.350 1.00 52.39 C ATOM 1482 NE2 HIS A 320 2.109 11.644 15.633 1.00 53.46 N ATOM 1483 H HIS A 320 5.696 6.550 15.701 1.00 0.00 H ATOM 1484 N VAL A 321 1.464 7.610 15.244 1.00 52.83 N ATOM 1485 CA VAL A 321 0.319 7.409 14.361 1.00 52.99 C ATOM 1486 C VAL A 321 -0.346 8.752 14.056 1.00 62.03 C ATOM 1487 O VAL A 321 -0.927 8.952 12.986 1.00 65.56 O ATOM 1488 CB VAL A 321 -0.682 6.448 14.984 1.00 48.21 C ATOM 1489 H VAL A 321 1.335 8.183 16.102 1.00 0.00 H TER 1490 VAL A 321 HETATM 1491 O HOH 1 12.714 4.425 42.233 1.00 22.36 O HETATM 1492 O HOH 2 6.524 -18.171 28.187 1.00 37.57 O HETATM 1493 O HOH 3 2.165 9.046 35.376 1.00 27.05 O HETATM 1494 O HOH 4 24.139 5.593 35.876 1.00 36.29 O HETATM 1495 O HOH 5 4.044 -15.722 42.202 1.00 31.50 O HETATM 1496 O HOH 6 16.810 3.345 40.469 1.00 20.72 O HETATM 1497 O HOH 7 10.594 -13.771 21.328 1.00 30.11 O HETATM 1498 O HOH 8 12.080 -17.385 46.009 1.00 38.42 O HETATM 1499 O HOH 9 0.115 4.612 38.728 1.00 17.20 O HETATM 1500 O HOH 10 11.136 -2.564 16.112 1.00 25.28 O HETATM 1501 O HOH 11 4.470 6.999 19.407 1.00 18.97 O HETATM 1502 O HOH 12 -1.240 -13.344 34.989 1.00 18.28 O HETATM 1503 O HOH 13 1.301 -25.390 34.246 1.00 29.84 O HETATM 1504 O HOH 14 -2.306 -0.717 19.606 1.00 23.08 O HETATM 1505 O HOH 15 13.312 0.001 45.413 1.00 25.65 O HETATM 1506 O HOH 16 -0.359 10.611 30.864 1.00 18.37 O HETATM 1507 O HOH 17 1.751 16.171 35.729 1.00 33.10 O HETATM 1508 O HOH 18 -1.238 -13.596 37.591 1.00 26.55 O HETATM 1509 O HOH 19 13.642 8.432 37.875 1.00 21.56 O HETATM 1510 O HOH 20 21.484 15.245 35.471 1.00 63.48 O HETATM 1511 O HOH 21 1.965 5.475 37.208 1.00 25.28 O HETATM 1512 O HOH 22 4.885 -16.245 39.645 1.00 33.98 O HETATM 1513 O HOH 23 17.974 -15.986 24.438 1.00 25.16 O HETATM 1514 O HOH 24 23.592 15.484 35.141 1.00 47.28 O HETATM 1515 O HOH 25 19.233 -14.735 21.363 1.00 28.99 O HETATM 1516 O HOH 26 -3.983 -10.937 47.965 1.00 36.46 O HETATM 1517 O HOH 27 -3.710 -8.473 47.359 1.00 31.52 O HETATM 1518 O HOH 28 9.495 6.422 42.113 1.00 42.24 O HETATM 1519 O HOH 29 23.321 14.653 31.803 1.00 59.49 O HETATM 1520 O HOH 30 22.869 -16.176 18.333 1.00 45.65 O HETATM 1521 O HOH 31 21.368 -17.573 20.618 1.00 27.71 O HETATM 1522 O HOH 32 28.591 -1.251 37.318 1.00 39.92 O HETATM 1523 C13 UNN A 33 13.102 -10.435 18.184 1.00 -0.07 C HETATM 1524 C12 UNN A 33 12.203 -10.580 19.233 1.00 -0.04 C HETATM 1525 C11 UNN A 33 12.561 -11.344 20.338 1.00 0.07 C HETATM 1526 N10 UNN A 33 11.690 -11.585 21.476 1.00 -0.23 N HETATM 1527 C09 UNN A 33 12.071 -11.228 22.803 1.00 0.24 C HETATM 1528 C08 UNN A 33 11.194 -11.536 23.980 1.00 0.13 C HETATM 1529 C21 UNN A 33 11.016 -10.752 25.088 1.00 -0.02 C HETATM 1530 C22 UNN A 33 11.641 -9.372 25.249 1.00 -0.03 C HETATM 1531 C23 UNN A 33 12.774 -9.362 26.311 1.00 -0.02 C HETATM 1532 C24 UNN A 33 11.927 -9.042 27.525 1.00 0.07 C HETATM 1533 O25 UNN A 33 12.483 -9.843 28.539 1.00 -0.32 O HETATM 1534 C26 UNN A 33 11.957 -9.923 29.884 1.00 0.08 C HETATM 1535 C27 UNN A 33 11.389 -8.848 30.623 1.00 -0.04 C HETATM 1536 C28 UNN A 33 10.972 -9.121 31.934 1.00 -0.05 C HETATM 1537 C29 UNN A 33 10.336 -8.078 32.837 1.00 -0.03 C HETATM 1538 H16 UNN A 33 10.265 -7.121 32.299 1.00 0.04 H HETATM 1539 H17 UNN A 33 10.954 -7.947 33.738 1.00 0.04 H HETATM 1540 H18 UNN A 33 9.329 -8.410 33.128 1.00 0.04 H HETATM 1541 C33 UNN A 33 11.127 -10.392 32.486 1.00 0.03 C HETATM 1542 C31 UNN A 33 11.692 -11.433 31.748 1.00 -0.05 C HETATM 1543 C30 UNN A 33 12.094 -11.190 30.466 1.00 -0.04 C HETATM 1544 H19 UNN A 33 12.529 -11.995 29.885 1.00 0.04 H HETATM 1545 C32 UNN A 33 11.832 -12.835 32.375 1.00 -0.03 C HETATM 1546 H20 UNN A 33 12.296 -13.517 31.647 1.00 0.04 H HETATM 1547 H21 UNN A 33 10.837 -13.214 32.651 1.00 0.04 H HETATM 1548 H22 UNN A 33 12.463 -12.773 33.274 1.00 0.04 H HETATM 1549 CL2 UNN A 33 10.600 -10.711 34.128 1.00 -0.09 CL HETATM 1550 H15 UNN A 33 11.283 -7.859 30.191 1.00 0.04 H HETATM 1551 H4 UNN A 33 10.874 -9.306 27.349 1.00 0.06 H HETATM 1552 H5 UNN A 33 11.999 -7.975 27.784 1.00 0.06 H HETATM 1553 H13 UNN A 33 13.525 -8.584 26.111 1.00 0.03 H HETATM 1554 H14 UNN A 33 13.272 -10.339 26.397 1.00 0.03 H HETATM 1555 H2 UNN A 33 10.859 -8.663 25.558 1.00 0.04 H HETATM 1556 H3 UNN A 33 12.059 -9.057 24.282 1.00 0.04 H HETATM 1557 C05 UNN A 33 10.126 -11.502 25.952 1.00 -0.02 C HETATM 1558 C04 UNN A 33 9.524 -11.314 27.202 1.00 -0.08 C HETATM 1559 C03 UNN A 33 8.690 -12.287 27.766 1.00 -0.07 C HETATM 1560 C02 UNN A 33 8.447 -13.469 27.079 1.00 0.02 C HETATM 1561 CL UNN A 33 7.385 -14.653 27.857 1.00 -0.09 CL HETATM 1562 C35 UNN A 33 9.037 -13.681 25.827 1.00 -0.01 C HETATM 1563 C06 UNN A 33 9.869 -12.688 25.277 1.00 0.06 C HETATM 1564 N07 UNN A 33 10.523 -12.673 24.125 1.00 -0.28 N HETATM 1565 H8 UNN A 33 10.512 -13.438 23.436 1.00 0.22 H HETATM 1566 C36 UNN A 33 8.792 -14.978 24.989 1.00 0.00 C HETATM 1567 C37 UNN A 33 9.404 -16.242 25.126 1.00 0.08 C HETATM 1568 C38 UNN A 33 10.486 -16.666 26.121 1.00 0.00 C HETATM 1569 H23 UNN A 33 10.742 -15.815 26.769 1.00 0.05 H HETATM 1570 H24 UNN A 33 11.382 -16.991 25.572 1.00 0.05 H HETATM 1571 H25 UNN A 33 10.112 -17.497 26.737 1.00 0.05 H HETATM 1572 N39 UNN A 33 8.875 -17.030 24.207 1.00 -0.21 N HETATM 1573 C40 UNN A 33 9.264 -18.417 24.047 1.00 0.06 C HETATM 1574 H26 UNN A 33 8.690 -18.866 23.223 1.00 0.06 H HETATM 1575 H27 UNN A 33 9.058 -18.965 24.978 1.00 0.06 H HETATM 1576 H28 UNN A 33 10.339 -18.473 23.819 1.00 0.06 H HETATM 1577 N41 UNN A 33 7.985 -16.383 23.508 1.00 -0.24 N HETATM 1578 C42 UNN A 33 7.876 -15.159 23.922 1.00 0.01 C HETATM 1579 C43 UNN A 33 6.943 -14.145 23.324 1.00 -0.03 C HETATM 1580 H29 UNN A 33 6.368 -14.611 22.510 1.00 0.04 H HETATM 1581 H30 UNN A 33 7.525 -13.301 22.925 1.00 0.04 H HETATM 1582 H31 UNN A 33 6.253 -13.780 24.099 1.00 0.04 H HETATM 1583 H6 UNN A 33 8.236 -12.118 28.736 1.00 0.05 H HETATM 1584 H7 UNN A 33 9.708 -10.394 27.745 1.00 0.05 H HETATM 1585 O20 UNN A 33 13.125 -10.737 23.056 1.00 -0.38 O HETATM 1586 H9 UNN A 33 10.799 -12.013 21.324 1.00 0.22 H HETATM 1587 C19 UNN A 33 13.808 -11.975 20.381 1.00 -0.03 C HETATM 1588 C15 UNN A 33 14.714 -11.834 19.338 1.00 -0.00 C HETATM 1589 C14 UNN A 33 14.353 -11.060 18.240 1.00 -0.06 C HETATM 1590 H11 UNN A 33 15.049 -10.940 17.418 1.00 0.05 H HETATM 1591 C16 UNN A 33 16.086 -12.525 19.424 1.00 0.06 C HETATM 1592 O17 UNN A 33 16.243 -13.565 20.118 1.00 -0.56 O HETATM 1593 O18 UNN A 33 17.078 -12.025 18.794 1.00 -0.56 O HETATM 1594 H12 UNN A 33 14.071 -12.582 21.240 1.00 0.05 H HETATM 1595 H10 UNN A 33 11.231 -10.102 19.190 1.00 0.05 H HETATM 1596 H1 UNN A 33 12.834 -9.837 17.321 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1523 1524 1589 1596 CONECT 1524 1523 1525 1595 CONECT 1525 1524 1526 1587 CONECT 1526 1525 1527 1586 CONECT 1527 1526 1528 1585 CONECT 1528 1527 1529 1564 CONECT 1529 1528 1530 1557 CONECT 1530 1529 1531 1555 1556 CONECT 1531 1530 1532 1553 1554 CONECT 1532 1531 1533 1551 1552 CONECT 1533 1532 1534 CONECT 1534 1533 1535 1543 CONECT 1535 1534 1536 1550 CONECT 1536 1535 1537 1541 CONECT 1537 1536 1538 1539 1540 CONECT 1538 1537 CONECT 1539 1537 CONECT 1540 1537 CONECT 1541 1536 1542 1549 CONECT 1542 1541 1543 1545 CONECT 1543 1534 1542 1544 CONECT 1544 1543 CONECT 1545 1542 1546 1547 1548 CONECT 1546 1545 CONECT 1547 1545 CONECT 1548 1545 CONECT 1549 1541 CONECT 1550 1535 CONECT 1551 1532 CONECT 1552 1532 CONECT 1553 1531 CONECT 1554 1531 CONECT 1555 1530 CONECT 1556 1530 CONECT 1557 1529 1558 1563 CONECT 1558 1557 1559 1584 CONECT 1559 1558 1560 1583 CONECT 1560 1559 1561 1562 CONECT 1561 1560 CONECT 1562 1560 1563 1566 CONECT 1563 1557 1562 1564 CONECT 1564 1528 1563 1565 CONECT 1565 1564 CONECT 1566 1562 1567 1578 CONECT 1567 1566 1568 1572 CONECT 1568 1567 1569 1570 1571 CONECT 1569 1568 CONECT 1570 1568 CONECT 1571 1568 CONECT 1572 1567 1573 1577 CONECT 1573 1572 1574 1575 1576 CONECT 1574 1573 CONECT 1575 1573 CONECT 1576 1573 CONECT 1577 1572 1578 CONECT 1578 1566 1577 1579 CONECT 1579 1578 1580 1581 1582 CONECT 1580 1579 CONECT 1581 1579 CONECT 1582 1579 CONECT 1583 1559 CONECT 1584 1558 CONECT 1585 1527 CONECT 1586 1526 CONECT 1587 1525 1588 1594 CONECT 1588 1587 1589 1591 CONECT 1589 1523 1588 1590 CONECT 1590 1589 CONECT 1591 1588 1592 1593 CONECT 1592 1591 CONECT 1593 1591 CONECT 1594 1587 CONECT 1595 1524 CONECT 1596 1523 MASTER 0 0 0 0 0 0 0 0 1595 1 78 12 END
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Related entries of code: 5iez
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3wix
RCSB PDB
PDBbind
161aa, >3WIX_1|Chains... at 90%
3wiy
RCSB PDB
PDBbind
161aa, >3WIY_1|Chains... at 90%
4hw2
RCSB PDB
PDBbind
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4hw3
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PDBbind
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4oq6
RCSB PDB
PDBbind
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4wgi
RCSB PDB
PDBbind
518aa, >4WGI_1|Chain... *
4wmu
RCSB PDB
PDBbind
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4wmv
RCSB PDB
PDBbind
518aa, >4WMV_1|Chain... at 100%
4wmx
RCSB PDB
PDBbind
518aa, >4WMX_1|Chain... at 100%
4zbf
RCSB PDB
PDBbind
157aa, >4ZBF_1|Chains... at 93%
4zbi
RCSB PDB
PDBbind
157aa, >4ZBI_1|Chains... at 93%
5fdo
RCSB PDB
PDBbind
150aa, >5FDO_1|Chains... at 97%
5fdr
RCSB PDB
PDBbind
158aa, >5FDR_1|Chains... at 92%
5if4
RCSB PDB
PDBbind
159aa, >5IF4_1|Chains... at 91%
5vkc
RCSB PDB
PDBbind
157aa, >5VKC_1|Chains... at 92%
6b4l
RCSB PDB
PDBbind
157aa, >6B4L_1|Chains... at 92%
6b4u
RCSB PDB
PDBbind
157aa, >6B4U_1|Chain... at 92%
6bw2
RCSB PDB
PDBbind
158aa, >6BW2_1|Chains... at 92%
6bw8
RCSB PDB
PDBbind
158aa, >6BW8_1|Chains... at 92%
6dm8
RCSB PDB
PDBbind
518aa, >6DM8_1|Chains... at 96%
6fs1
RCSB PDB
PDBbind
150aa, >6FS1_1|Chains... at 92%
6qz7
RCSB PDB
PDBbind
518aa, >6QZ7_1|Chain... at 99%
6qyo
RCSB PDB
PDBbind
518aa, >6QYO_1|Chain... at 99%
6qyn
RCSB PDB
PDBbind
518aa, >6QYN_1|Chain... at 99%
6qyl
RCSB PDB
PDBbind
518aa, >6QYL_1|Chain... at 99%
6qyk
RCSB PDB
PDBbind
518aa, >6QYK_1|Chain... at 99%
6qxj
RCSB PDB
PDBbind
518aa, >6QXJ_1|Chain... at 99%
6p3p
RCSB PDB
PDBbind
157aa, >6P3P_1|Chain... at 92%
6oqn
RCSB PDB
PDBbind
157aa, >6OQN_1|Chains... at 92%
6oqd
RCSB PDB
PDBbind
157aa, >6OQD_1|Chain... at 92%
6oqc
RCSB PDB
PDBbind
157aa, >6OQC_1|Chains... at 92%
6oqb
RCSB PDB
PDBbind
157aa, >6OQB_1|Chain... at 92%
6o6g
RCSB PDB
PDBbind
156aa, >6O6G_1|Chain... at 93%
6o6f
RCSB PDB
PDBbind
158aa, >6O6F_1|Chains... at 92%
6ne5
RCSB PDB
PDBbind
159aa, >6NE5_1|Chains... at 91%
6ud2
RCSB PDB
PDBbind
157aa, >6UD2_1|Chain... at 92%
6udi
RCSB PDB
PDBbind
157aa, >6UDI_1|Chain... at 92%
6udt
RCSB PDB
PDBbind
157aa, >6UDT_1|Chain... at 92%
6udu
RCSB PDB
PDBbind
157aa, >6UDU_1|Chain... at 92%
6udv
RCSB PDB
PDBbind
157aa, >6UDV_1|Chain... at 92%
6udx
RCSB PDB
PDBbind
157aa, >6UDX_1|Chains... at 92%
6udy
RCSB PDB
PDBbind
157aa, >6UDY_1|Chains... at 92%
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
5iez
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Myeloid cell leukemia 1
Ligand Name
6AL
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Ki=23nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) FEBS Lett. Vol. 591: pp. 240-251
Ligand Properties
Formula
C
3
3
H
3
2
Cl
2
N
4
O
4
Molecular Weight
619.538
Exact Mass
618.180
No. of atoms
75
No. of bonds
79
Polar Surface Area
109.24
LOGP Value
8.83 (
Computed with XLOGP3
)
8.14 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
OC(=O)c1cccc(c1)NC(=O)c1[nH]c2c(c1CCCOc1cc(C)c(c(c1)C)Cl)ccc(c2c1c(C)nn(c1C)C)Cl
InChI String
InChI=1S/C33H32Cl2N4O4/c1-17-14-23(15-18(2)29(17)35)43-13-7-10-24-25-11-12-26(34)28(27-19(3)38-39(5)20(27)4)30(25)37-31(24)32(40)36-22-9-6-8-21(16-22)33(41)42/h6,8-9,11-12,14-16,37H,7,10,13H2,1-5H3,(H,36,40)(H,41,42)
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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