Browse entries in the PDBbind-CN Database
HEADER 2N9X_COMPLEX COMPND 2N9X_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 120 MET PRO SER GLU LYS THR PHE LYS GLN ARG ARG THR PHE SEQRES 2 A 120 GLU GLN ARG VAL GLU ASP VAL ARG LEU ILE ARG GLU GLN SEQRES 3 A 120 HIS PRO THR LYS ILE PRO VAL ILE ILE GLU ARG TYR LYS SEQRES 4 A 120 GLY GLU LYS GLN LEU PRO VAL LEU ASP LYS THR LYS PHE SEQRES 5 A 120 LEU VAL PRO ASP HIS VAL ASN MET SER GLU LEU ILE LYS SEQRES 6 A 120 ILE ILE ARG ARG ARG LEU GLN LEU ASN ALA ASN GLN ALA SEQRES 7 A 120 PHE PHE LEU LEU VAL ASN GLY HIS SER MET VAL SER VAL SEQRES 8 A 120 SER THR PRO ILE SER GLU VAL TYR GLU SER GLU LYS ASP SEQRES 9 A 120 GLU ASP GLY PHE LEU TYR MET VAL TYR ALA SER GLN GLU SEQRES 10 A 120 THR PHE GLY HET ASP A 121 261 ATOM 1 N MET A 1 -9.673 3.078 7.893 1.00 1.00 N ATOM 2 CA MET A 1 -10.130 2.553 6.579 1.00 1.00 C ATOM 3 C MET A 1 -11.621 2.172 6.574 1.00 1.00 C ATOM 4 O MET A 1 -12.266 2.447 5.564 1.00 1.00 O ATOM 5 CB MET A 1 -9.256 1.427 5.985 1.00 1.00 C ATOM 6 CG MET A 1 -7.754 1.671 6.154 1.00 1.00 C ATOM 7 SD MET A 1 -6.738 0.761 4.973 1.00 1.00 S ATOM 8 CE MET A 1 -5.125 0.983 5.752 1.00 1.00 C ATOM 9 HN3 MET A 1 -9.818 2.353 8.624 1.00 0.00 H ATOM 10 HN2 MET A 1 -10.220 3.929 8.134 1.00 0.00 H ATOM 11 HN1 MET A 1 -8.663 3.318 7.837 1.00 0.00 H ATOM 12 N PRO A 2 -12.206 1.560 7.632 1.00 1.00 N ATOM 13 CA PRO A 2 -13.628 1.178 7.639 1.00 1.00 C ATOM 14 C PRO A 2 -14.645 2.325 7.491 1.00 1.00 C ATOM 15 O PRO A 2 -15.757 2.084 7.015 1.00 1.00 O ATOM 16 CB PRO A 2 -13.836 0.416 8.957 1.00 1.00 C ATOM 17 CG PRO A 2 -12.469 -0.199 9.222 1.00 1.00 C ATOM 18 CD PRO A 2 -11.534 0.910 8.755 1.00 1.00 C ATOM 19 N SER A 3 -14.296 3.556 7.889 1.00 1.00 N ATOM 20 CA SER A 3 -15.155 4.745 7.733 1.00 1.00 C ATOM 21 C SER A 3 -14.979 5.473 6.390 1.00 1.00 C ATOM 22 O SER A 3 -15.927 6.083 5.889 1.00 1.00 O ATOM 23 CB SER A 3 -14.910 5.708 8.899 1.00 1.00 C ATOM 24 OG SER A 3 -13.552 6.115 8.960 1.00 1.00 O ATOM 25 HG SER A 3 -13.428 6.735 9.722 1.00 0.00 H ATOM 26 H SER A 3 -13.364 3.680 8.334 1.00 0.00 H ATOM 27 N GLU A 4 -13.787 5.410 5.792 1.00 1.00 N ATOM 28 CA GLU A 4 -13.448 5.983 4.482 1.00 1.00 C ATOM 29 C GLU A 4 -14.024 5.190 3.276 1.00 1.00 C ATOM 30 O GLU A 4 -14.654 4.137 3.427 1.00 1.00 O ATOM 31 CB GLU A 4 -11.913 6.120 4.376 1.00 1.00 C ATOM 32 CG GLU A 4 -11.291 7.053 5.435 1.00 1.00 C ATOM 33 CD GLU A 4 -10.917 6.374 6.771 1.00 1.00 C ATOM 34 OE1 GLU A 4 -11.183 5.160 6.955 1.00 1.00 O ATOM 35 OE2 GLU A 4 -10.286 7.046 7.624 1.00 1.00 O ATOM 36 H GLU A 4 -13.029 4.910 6.299 1.00 0.00 H ATOM 37 N LYS A 5 -13.807 5.713 2.056 1.00 1.00 N ATOM 38 CA LYS A 5 -14.116 5.041 0.774 1.00 1.00 C ATOM 39 C LYS A 5 -13.233 3.795 0.539 1.00 1.00 C ATOM 40 O LYS A 5 -12.319 3.512 1.316 1.00 1.00 O ATOM 41 CB LYS A 5 -13.967 6.056 -0.384 1.00 1.00 C ATOM 42 CG LYS A 5 -14.820 7.331 -0.268 1.00 1.00 C ATOM 43 CD LYS A 5 -16.332 7.054 -0.171 1.00 1.00 C ATOM 44 CE LYS A 5 -17.180 8.334 -0.095 1.00 1.00 C ATOM 45 NZ LYS A 5 -17.163 9.123 -1.362 1.00 1.00 N ATOM 46 HZ1 LYS A 5 -16.186 9.404 -1.581 1.00 0.00 H ATOM 47 HZ2 LYS A 5 -17.539 8.540 -2.137 1.00 0.00 H ATOM 48 HZ3 LYS A 5 -17.752 9.973 -1.248 1.00 0.00 H ATOM 49 H LYS A 5 -13.389 6.664 2.010 1.00 0.00 H ATOM 50 N THR A 6 -13.500 3.068 -0.554 1.00 1.00 N ATOM 51 CA THR A 6 -12.811 1.831 -0.977 1.00 1.00 C ATOM 52 C THR A 6 -11.288 1.794 -0.788 1.00 1.00 C ATOM 53 O THR A 6 -10.604 2.748 -1.149 1.00 1.00 O ATOM 54 CB THR A 6 -13.245 1.375 -2.389 1.00 1.00 C ATOM 55 OG1 THR A 6 -14.516 1.907 -2.726 1.00 1.00 O ATOM 56 CG2 THR A 6 -13.345 -0.146 -2.523 1.00 1.00 C ATOM 57 HG1 THR A 6 -14.771 1.601 -3.632 1.00 0.00 H ATOM 58 H THR A 6 -14.269 3.408 -1.166 1.00 0.00 H ATOM 59 N PHE A 7 -10.749 0.686 -0.266 1.00 1.00 N ATOM 60 CA PHE A 7 -9.359 0.520 0.210 1.00 1.00 C ATOM 61 C PHE A 7 -8.194 1.198 -0.545 1.00 1.00 C ATOM 62 O PHE A 7 -7.308 1.773 0.087 1.00 1.00 O ATOM 63 CB PHE A 7 -9.120 -0.976 0.477 1.00 1.00 C ATOM 64 CG PHE A 7 -7.703 -1.423 0.806 1.00 1.00 C ATOM 65 CD1 PHE A 7 -7.177 -2.595 0.231 1.00 1.00 C ATOM 66 CD2 PHE A 7 -6.955 -0.741 1.783 1.00 1.00 C ATOM 67 CE1 PHE A 7 -5.918 -3.076 0.636 1.00 1.00 C ATOM 68 CE2 PHE A 7 -5.690 -1.212 2.178 1.00 1.00 C ATOM 69 CZ PHE A 7 -5.174 -2.388 1.608 1.00 1.00 C ATOM 70 H PHE A 7 -11.372 -0.143 -0.187 1.00 0.00 H ATOM 71 N LYS A 8 -8.215 1.231 -1.886 1.00 1.00 N ATOM 72 CA LYS A 8 -7.187 1.919 -2.707 1.00 1.00 C ATOM 73 C LYS A 8 -7.064 3.428 -2.408 1.00 1.00 C ATOM 74 O LYS A 8 -5.973 3.986 -2.515 1.00 1.00 O ATOM 75 CB LYS A 8 -7.481 1.637 -4.196 1.00 1.00 C ATOM 76 CG LYS A 8 -6.417 2.232 -5.138 1.00 1.00 C ATOM 77 CD LYS A 8 -6.631 1.796 -6.594 1.00 1.00 C ATOM 78 CE LYS A 8 -5.566 2.439 -7.491 1.00 1.00 C ATOM 79 NZ LYS A 8 -5.739 2.051 -8.921 1.00 1.00 N ATOM 80 HZ1 LYS A 8 -5.662 1.018 -9.010 1.00 0.00 H ATOM 81 HZ2 LYS A 8 -6.675 2.360 -9.252 1.00 0.00 H ATOM 82 HZ3 LYS A 8 -5.000 2.506 -9.494 1.00 0.00 H ATOM 83 H LYS A 8 -8.994 0.748 -2.377 1.00 0.00 H ATOM 84 N GLN A 9 -8.148 4.066 -1.952 1.00 1.00 N ATOM 85 CA GLN A 9 -8.159 5.457 -1.463 1.00 1.00 C ATOM 86 C GLN A 9 -7.266 5.648 -0.215 1.00 1.00 C ATOM 87 O GLN A 9 -6.707 6.729 -0.015 1.00 1.00 O ATOM 88 CB GLN A 9 -9.628 5.857 -1.216 1.00 1.00 C ATOM 89 CG GLN A 9 -9.866 7.312 -0.761 1.00 1.00 C ATOM 90 CD GLN A 9 -10.031 7.465 0.751 1.00 1.00 C ATOM 91 OE1 GLN A 9 -9.442 6.754 1.548 1.00 1.00 O ATOM 92 NE2 GLN A 9 -10.807 8.408 1.236 1.00 1.00 N ATOM 93 HE22 GLN A 9 -11.327 9.036 0.591 1.00 0.00 H ATOM 94 HE21 GLN A 9 -10.901 8.526 2.265 1.00 0.00 H ATOM 95 H GLN A 9 -9.047 3.543 -1.942 1.00 0.00 H ATOM 96 N ARG A 10 -7.096 4.592 0.600 1.00 1.00 N ATOM 97 CA ARG A 10 -6.198 4.552 1.771 1.00 1.00 C ATOM 98 C ARG A 10 -4.765 4.124 1.441 1.00 1.00 C ATOM 99 O ARG A 10 -3.839 4.823 1.852 1.00 1.00 O ATOM 100 CB ARG A 10 -6.802 3.663 2.877 1.00 1.00 C ATOM 101 CG ARG A 10 -8.114 4.199 3.486 1.00 1.00 C ATOM 102 CD ARG A 10 -7.912 5.373 4.457 1.00 1.00 C ATOM 103 NE ARG A 10 -7.719 6.643 3.736 1.00 1.00 N ATOM 104 CZ ARG A 10 -6.985 7.685 4.086 1.00 1.00 C ATOM 105 NH1 ARG A 10 -6.364 7.756 5.227 1.00 1.00 N ATOM 106 NH2 ARG A 10 -6.870 8.691 3.269 1.00 1.00 N ATOM 107 HE ARG A 10 -8.227 6.731 2.833 1.00 0.00 H ATOM 108 HH12 ARG A 10 -5.797 8.597 5.459 1.00 0.00 H ATOM 109 HH11 ARG A 10 -6.434 6.972 5.907 1.00 0.00 H ATOM 110 HH22 ARG A 10 -6.294 9.515 3.536 1.00 0.00 H ATOM 111 HH21 ARG A 10 -7.354 8.671 2.349 1.00 0.00 H ATOM 112 H ARG A 10 -7.642 3.733 0.388 1.00 0.00 H ATOM 113 N ARG A 11 -4.562 2.989 0.747 1.00 1.00 N ATOM 114 CA ARG A 11 -3.214 2.407 0.560 1.00 1.00 C ATOM 115 C ARG A 11 -3.026 1.656 -0.764 1.00 1.00 C ATOM 116 O ARG A 11 -3.820 0.779 -1.106 1.00 1.00 O ATOM 117 CB ARG A 11 -2.901 1.537 1.795 1.00 1.00 C ATOM 118 CG ARG A 11 -1.391 1.324 1.986 1.00 1.00 C ATOM 119 CD ARG A 11 -1.016 0.930 3.419 1.00 1.00 C ATOM 120 NE ARG A 11 -1.282 2.037 4.368 1.00 1.00 N ATOM 121 CZ ARG A 11 -1.723 1.931 5.608 1.00 1.00 C ATOM 122 NH1 ARG A 11 -1.765 0.798 6.240 1.00 1.00 N ATOM 123 NH2 ARG A 11 -2.174 2.968 6.250 1.00 1.00 N ATOM 124 HE ARG A 11 -1.102 3.000 4.020 1.00 0.00 H ATOM 125 HH12 ARG A 11 -2.120 0.760 7.217 1.00 0.00 H ATOM 126 HH11 ARG A 11 -1.444 -0.072 5.770 1.00 0.00 H ATOM 127 HH22 ARG A 11 -2.517 2.866 7.226 1.00 0.00 H ATOM 128 HH21 ARG A 11 -2.191 3.899 5.787 1.00 0.00 H ATOM 129 H ARG A 11 -5.381 2.504 0.327 1.00 0.00 H ATOM 130 N THR A 12 -1.938 1.953 -1.474 1.00 1.00 N ATOM 131 CA THR A 12 -1.504 1.326 -2.747 1.00 1.00 C ATOM 132 C THR A 12 -0.585 0.105 -2.601 1.00 1.00 C ATOM 133 O THR A 12 -0.022 -0.118 -1.531 1.00 1.00 O ATOM 134 CB THR A 12 -0.927 2.361 -3.741 1.00 1.00 C ATOM 135 OG1 THR A 12 0.442 2.584 -3.464 1.00 1.00 O ATOM 136 CG2 THR A 12 -1.643 3.713 -3.731 1.00 1.00 C ATOM 137 HG1 THR A 12 0.803 3.247 -4.104 1.00 0.00 H ATOM 138 H THR A 12 -1.328 2.705 -1.095 1.00 0.00 H ATOM 139 N PHE A 13 -0.404 -0.693 -3.662 1.00 1.00 N ATOM 140 CA PHE A 13 0.415 -1.923 -3.658 1.00 1.00 C ATOM 141 C PHE A 13 1.789 -1.859 -2.974 1.00 1.00 C ATOM 142 O PHE A 13 2.043 -2.595 -2.025 1.00 1.00 O ATOM 143 CB PHE A 13 0.405 -2.583 -5.053 1.00 1.00 C ATOM 144 CG PHE A 13 1.500 -3.600 -5.348 1.00 1.00 C ATOM 145 CD1 PHE A 13 1.258 -4.984 -5.215 1.00 1.00 C ATOM 146 CD2 PHE A 13 2.752 -3.160 -5.824 1.00 1.00 C ATOM 147 CE1 PHE A 13 2.262 -5.914 -5.545 1.00 1.00 C ATOM 148 CE2 PHE A 13 3.758 -4.088 -6.139 1.00 1.00 C ATOM 149 CZ PHE A 13 3.512 -5.463 -6.001 1.00 1.00 C ATOM 150 H PHE A 13 -0.873 -0.428 -4.551 1.00 0.00 H ATOM 151 N GLU A 14 2.651 -0.916 -3.359 1.00 1.00 N ATOM 152 CA GLU A 14 3.984 -0.751 -2.750 1.00 1.00 C ATOM 153 C GLU A 14 3.903 -0.345 -1.267 1.00 1.00 C ATOM 154 O GLU A 14 4.691 -0.806 -0.441 1.00 1.00 O ATOM 155 CB GLU A 14 4.781 0.268 -3.581 1.00 1.00 C ATOM 156 CG GLU A 14 6.212 0.489 -3.064 1.00 1.00 C ATOM 157 CD GLU A 14 7.069 1.399 -3.973 1.00 1.00 C ATOM 158 OE1 GLU A 14 8.240 1.668 -3.608 1.00 1.00 O ATOM 159 OE2 GLU A 14 6.609 1.849 -5.051 1.00 1.00 O ATOM 160 H GLU A 14 2.370 -0.268 -4.123 1.00 0.00 H ATOM 161 N GLN A 15 2.896 0.451 -0.899 1.00 1.00 N ATOM 162 CA GLN A 15 2.635 0.810 0.497 1.00 1.00 C ATOM 163 C GLN A 15 2.134 -0.404 1.315 1.00 1.00 C ATOM 164 O GLN A 15 2.427 -0.516 2.503 1.00 1.00 O ATOM 165 CB GLN A 15 1.632 1.973 0.544 1.00 1.00 C ATOM 166 CG GLN A 15 2.100 3.253 -0.177 1.00 1.00 C ATOM 167 CD GLN A 15 0.983 4.282 -0.358 1.00 1.00 C ATOM 168 OE1 GLN A 15 -0.204 4.005 -0.255 1.00 1.00 O ATOM 169 NE2 GLN A 15 1.322 5.523 -0.642 1.00 1.00 N ATOM 170 HE22 GLN A 15 2.326 5.780 -0.734 1.00 0.00 H ATOM 171 HE21 GLN A 15 0.586 6.246 -0.774 1.00 0.00 H ATOM 172 H GLN A 15 2.269 0.833 -1.636 1.00 0.00 H ATOM 173 N ARG A 16 1.437 -1.367 0.685 1.00 1.00 N ATOM 174 CA ARG A 16 1.100 -2.667 1.309 1.00 1.00 C ATOM 175 C ARG A 16 2.349 -3.550 1.485 1.00 1.00 C ATOM 176 O ARG A 16 2.438 -4.271 2.474 1.00 1.00 O ATOM 177 CB ARG A 16 0.001 -3.406 0.519 1.00 1.00 C ATOM 178 CG ARG A 16 -1.311 -2.605 0.416 1.00 1.00 C ATOM 179 CD ARG A 16 -2.327 -3.303 -0.493 1.00 1.00 C ATOM 180 NE ARG A 16 -3.303 -2.335 -1.040 1.00 1.00 N ATOM 181 CZ ARG A 16 -4.079 -2.476 -2.101 1.00 1.00 C ATOM 182 NH1 ARG A 16 -4.134 -3.576 -2.793 1.00 1.00 N ATOM 183 NH2 ARG A 16 -4.831 -1.487 -2.471 1.00 1.00 N ATOM 184 HE ARG A 16 -3.389 -1.434 -0.528 1.00 0.00 H ATOM 185 HH12 ARG A 16 -4.760 -3.639 -3.621 1.00 0.00 H ATOM 186 HH11 ARG A 16 -3.551 -4.393 -2.519 1.00 0.00 H ATOM 187 HH22 ARG A 16 -5.446 -1.585 -3.304 1.00 0.00 H ATOM 188 HH21 ARG A 16 -4.819 -0.596 -1.935 1.00 0.00 H ATOM 189 H ARG A 16 1.119 -1.190 -0.289 1.00 0.00 H ATOM 190 N VAL A 17 3.340 -3.462 0.593 1.00 1.00 N ATOM 191 CA VAL A 17 4.660 -4.104 0.792 1.00 1.00 C ATOM 192 C VAL A 17 5.395 -3.520 2.003 1.00 1.00 C ATOM 193 O VAL A 17 5.941 -4.273 2.809 1.00 1.00 O ATOM 194 CB VAL A 17 5.551 -4.066 -0.468 1.00 1.00 C ATOM 195 CG1 VAL A 17 6.827 -4.894 -0.267 1.00 1.00 C ATOM 196 CG2 VAL A 17 4.820 -4.603 -1.702 1.00 1.00 C ATOM 197 H VAL A 17 3.177 -2.919 -0.279 1.00 0.00 H ATOM 198 N GLU A 18 5.346 -2.199 2.198 1.00 1.00 N ATOM 199 CA GLU A 18 5.827 -1.568 3.437 1.00 1.00 C ATOM 200 C GLU A 18 5.069 -2.069 4.679 1.00 1.00 C ATOM 201 O GLU A 18 5.705 -2.449 5.661 1.00 1.00 O ATOM 202 CB GLU A 18 5.792 -0.034 3.340 1.00 1.00 C ATOM 203 CG GLU A 18 6.843 0.500 2.355 1.00 1.00 C ATOM 204 CD GLU A 18 6.873 2.040 2.247 1.00 1.00 C ATOM 205 OE1 GLU A 18 7.816 2.573 1.610 1.00 1.00 O ATOM 206 OE2 GLU A 18 5.974 2.738 2.779 1.00 1.00 O ATOM 207 H GLU A 18 4.954 -1.595 1.447 1.00 0.00 H ATOM 208 N ASP A 19 3.735 -2.184 4.631 1.00 1.00 N ATOM 209 CA ASP A 19 2.964 -2.846 5.697 1.00 1.00 C ATOM 210 C ASP A 19 3.429 -4.267 6.053 1.00 1.00 C ATOM 211 O ASP A 19 3.577 -4.586 7.234 1.00 1.00 O ATOM 212 CB ASP A 19 1.448 -2.837 5.423 1.00 1.00 C ATOM 213 CG ASP A 19 0.708 -1.508 5.624 1.00 1.00 C ATOM 214 OD1 ASP A 19 -0.513 -1.516 5.321 1.00 1.00 O ATOM 215 OD2 ASP A 19 1.274 -0.513 6.126 1.00 1.00 O ATOM 216 H ASP A 19 3.226 -1.792 3.813 1.00 0.00 H ATOM 217 N VAL A 20 3.709 -5.109 5.045 1.00 1.00 N ATOM 218 CA VAL A 20 4.268 -6.462 5.245 1.00 1.00 C ATOM 219 C VAL A 20 5.636 -6.368 5.933 1.00 1.00 C ATOM 220 O VAL A 20 5.870 -7.089 6.902 1.00 1.00 O ATOM 221 CB VAL A 20 4.367 -7.245 3.918 1.00 1.00 C ATOM 222 CG1 VAL A 20 5.110 -8.581 4.064 1.00 1.00 C ATOM 223 CG2 VAL A 20 2.965 -7.585 3.394 1.00 1.00 C ATOM 224 H VAL A 20 3.523 -4.792 4.072 1.00 0.00 H ATOM 225 N ARG A 21 6.523 -5.461 5.501 1.00 1.00 N ATOM 226 CA ARG A 21 7.856 -5.275 6.107 1.00 1.00 C ATOM 227 C ARG A 21 7.767 -4.878 7.586 1.00 1.00 C ATOM 228 O ARG A 21 8.387 -5.527 8.426 1.00 1.00 O ATOM 229 CB ARG A 21 8.666 -4.272 5.257 1.00 1.00 C ATOM 230 CG ARG A 21 10.072 -3.940 5.799 1.00 1.00 C ATOM 231 CD ARG A 21 11.011 -5.149 5.922 1.00 1.00 C ATOM 232 NE ARG A 21 11.260 -5.797 4.615 1.00 1.00 N ATOM 233 CZ ARG A 21 12.229 -5.525 3.753 1.00 1.00 C ATOM 234 NH1 ARG A 21 12.348 -6.222 2.662 1.00 1.00 N ATOM 235 NH2 ARG A 21 13.093 -4.567 3.946 1.00 1.00 N ATOM 236 HE ARG A 21 10.599 -6.552 4.342 1.00 0.00 H ATOM 237 HH12 ARG A 21 13.110 -6.006 1.987 1.00 0.00 H ATOM 238 HH11 ARG A 21 11.682 -6.995 2.464 1.00 0.00 H ATOM 239 HH22 ARG A 21 13.838 -4.389 3.242 1.00 0.00 H ATOM 240 HH21 ARG A 21 13.037 -3.981 4.804 1.00 0.00 H ATOM 241 H ARG A 21 6.258 -4.857 4.697 1.00 0.00 H ATOM 242 N LEU A 22 6.961 -3.865 7.920 1.00 1.00 N ATOM 243 CA LEU A 22 6.736 -3.421 9.298 1.00 1.00 C ATOM 244 C LEU A 22 6.112 -4.523 10.170 1.00 1.00 C ATOM 245 O LEU A 22 6.585 -4.749 11.286 1.00 1.00 O ATOM 246 CB LEU A 22 5.859 -2.150 9.300 1.00 1.00 C ATOM 247 CG LEU A 22 6.675 -0.851 9.134 1.00 1.00 C ATOM 248 CD1 LEU A 22 7.034 -0.508 7.690 1.00 1.00 C ATOM 249 CD2 LEU A 22 5.903 0.337 9.709 1.00 1.00 C ATOM 250 H LEU A 22 6.464 -3.363 7.157 1.00 0.00 H ATOM 251 N ILE A 23 5.087 -5.235 9.687 1.00 1.00 N ATOM 252 CA ILE A 23 4.394 -6.242 10.510 1.00 1.00 C ATOM 253 C ILE A 23 5.270 -7.491 10.718 1.00 1.00 C ATOM 254 O ILE A 23 5.376 -7.959 11.853 1.00 1.00 O ATOM 255 CB ILE A 23 2.969 -6.503 9.973 1.00 1.00 C ATOM 256 CG1 ILE A 23 1.974 -6.834 11.106 1.00 1.00 C ATOM 257 CG2 ILE A 23 2.876 -7.524 8.833 1.00 1.00 C ATOM 258 CD1 ILE A 23 2.003 -8.251 11.699 1.00 1.00 C ATOM 259 H ILE A 23 4.772 -5.074 8.709 1.00 0.00 H ATOM 260 N ARG A 24 5.993 -7.966 9.690 1.00 1.00 N ATOM 261 CA ARG A 24 6.979 -9.059 9.832 1.00 1.00 C ATOM 262 C ARG A 24 8.108 -8.732 10.819 1.00 1.00 C ATOM 263 O ARG A 24 8.577 -9.625 11.520 1.00 1.00 O ATOM 264 CB ARG A 24 7.570 -9.432 8.458 1.00 1.00 C ATOM 265 CG ARG A 24 6.639 -10.244 7.537 1.00 1.00 C ATOM 266 CD ARG A 24 6.289 -11.624 8.113 1.00 1.00 C ATOM 267 NE ARG A 24 5.955 -12.589 7.037 1.00 1.00 N ATOM 268 CZ ARG A 24 6.713 -13.575 6.580 1.00 1.00 C ATOM 269 NH1 ARG A 24 6.256 -14.398 5.681 1.00 1.00 N ATOM 270 NH2 ARG A 24 7.934 -13.767 6.990 1.00 1.00 N ATOM 271 HE ARG A 24 5.022 -12.479 6.592 1.00 0.00 H ATOM 272 HH12 ARG A 24 6.858 -15.169 5.328 1.00 0.00 H ATOM 273 HH11 ARG A 24 5.289 -14.284 5.316 1.00 0.00 H ATOM 274 HH22 ARG A 24 8.494 -14.554 6.605 1.00 0.00 H ATOM 275 HH21 ARG A 24 8.349 -13.133 7.703 1.00 0.00 H ATOM 276 H ARG A 24 5.853 -7.545 8.749 1.00 0.00 H ATOM 277 N GLU A 25 8.522 -7.468 10.901 1.00 1.00 N ATOM 278 CA GLU A 25 9.512 -7.014 11.881 1.00 1.00 C ATOM 279 C GLU A 25 8.969 -7.017 13.326 1.00 1.00 C ATOM 280 O GLU A 25 9.635 -7.539 14.223 1.00 1.00 O ATOM 281 CB GLU A 25 10.046 -5.631 11.465 1.00 1.00 C ATOM 282 CG GLU A 25 11.013 -4.961 12.461 1.00 1.00 C ATOM 283 CD GLU A 25 12.361 -5.689 12.662 1.00 1.00 C ATOM 284 OE1 GLU A 25 13.158 -5.230 13.517 1.00 1.00 O ATOM 285 OE2 GLU A 25 12.658 -6.699 11.977 1.00 1.00 O ATOM 286 H GLU A 25 8.124 -6.772 10.239 1.00 0.00 H ATOM 287 N GLN A 26 7.775 -6.444 13.565 1.00 1.00 N ATOM 288 CA GLN A 26 7.260 -6.238 14.931 1.00 1.00 C ATOM 289 C GLN A 26 6.487 -7.438 15.519 1.00 1.00 C ATOM 290 O GLN A 26 6.616 -7.704 16.714 1.00 1.00 O ATOM 291 CB GLN A 26 6.448 -4.926 14.990 1.00 1.00 C ATOM 292 CG GLN A 26 5.072 -4.996 14.301 1.00 1.00 C ATOM 293 CD GLN A 26 4.395 -3.641 14.075 1.00 1.00 C ATOM 294 OE1 GLN A 26 4.921 -2.570 14.350 1.00 1.00 O ATOM 295 NE2 GLN A 26 3.179 -3.643 13.563 1.00 1.00 N ATOM 296 HE22 GLN A 26 2.717 -4.543 13.324 1.00 0.00 H ATOM 297 HE21 GLN A 26 2.682 -2.744 13.399 1.00 0.00 H ATOM 298 H GLN A 26 7.196 -6.136 12.758 1.00 0.00 H ATOM 299 N HIS A 27 5.685 -8.164 14.717 1.00 1.00 N ATOM 300 CA HIS A 27 4.779 -9.243 15.178 1.00 1.00 C ATOM 301 C HIS A 27 4.707 -10.439 14.195 1.00 1.00 C ATOM 302 O HIS A 27 3.629 -10.741 13.681 1.00 1.00 O ATOM 303 CB HIS A 27 3.366 -8.677 15.497 1.00 1.00 C ATOM 304 CG HIS A 27 3.279 -7.592 16.546 1.00 1.00 C ATOM 305 ND1 HIS A 27 3.868 -7.603 17.802 1.00 1.00 N ATOM 306 CD2 HIS A 27 2.414 -6.528 16.514 1.00 1.00 C ATOM 307 CE1 HIS A 27 3.419 -6.534 18.491 1.00 1.00 C ATOM 308 NE2 HIS A 27 2.533 -5.865 17.724 1.00 1.00 N ATOM 309 H HIS A 27 5.703 -7.952 13.699 1.00 0.00 H ATOM 310 N PRO A 28 5.816 -11.172 13.945 1.00 1.00 N ATOM 311 CA PRO A 28 5.863 -12.282 12.974 1.00 1.00 C ATOM 312 C PRO A 28 4.940 -13.481 13.288 1.00 1.00 C ATOM 313 O PRO A 28 4.652 -14.277 12.395 1.00 1.00 O ATOM 314 CB PRO A 28 7.336 -12.709 12.922 1.00 1.00 C ATOM 315 CG PRO A 28 7.896 -12.276 14.275 1.00 1.00 C ATOM 316 CD PRO A 28 7.130 -10.986 14.557 1.00 1.00 C ATOM 317 N THR A 29 4.439 -13.607 14.528 1.00 1.00 N ATOM 318 CA THR A 29 3.385 -14.576 14.909 1.00 1.00 C ATOM 319 C THR A 29 2.005 -14.346 14.274 1.00 1.00 C ATOM 320 O THR A 29 1.186 -15.272 14.243 1.00 1.00 O ATOM 321 CB THR A 29 3.260 -14.727 16.440 1.00 1.00 C ATOM 322 OG1 THR A 29 2.521 -13.640 16.953 1.00 1.00 O ATOM 323 CG2 THR A 29 4.598 -14.768 17.181 1.00 1.00 C ATOM 324 HG1 THR A 29 2.438 -13.733 17.935 1.00 0.00 H ATOM 325 H THR A 29 4.816 -12.983 15.270 1.00 0.00 H ATOM 326 N LYS A 30 1.749 -13.146 13.725 1.00 1.00 N ATOM 327 CA LYS A 30 0.537 -12.836 12.949 1.00 1.00 C ATOM 328 C LYS A 30 0.822 -12.738 11.443 1.00 1.00 C ATOM 329 O LYS A 30 1.874 -12.276 11.006 1.00 1.00 O ATOM 330 CB LYS A 30 -0.170 -11.578 13.490 1.00 1.00 C ATOM 331 CG LYS A 30 -0.581 -11.737 14.964 1.00 1.00 C ATOM 332 CD LYS A 30 -1.579 -10.666 15.444 1.00 1.00 C ATOM 333 CE LYS A 30 -2.002 -11.010 16.880 1.00 1.00 C ATOM 334 NZ LYS A 30 -3.163 -10.215 17.363 1.00 1.00 N ATOM 335 HZ1 LYS A 30 -2.922 -9.204 17.343 1.00 0.00 H ATOM 336 HZ2 LYS A 30 -3.982 -10.390 16.746 1.00 0.00 H ATOM 337 HZ3 LYS A 30 -3.394 -10.498 18.337 1.00 0.00 H ATOM 338 H LYS A 30 2.451 -12.390 13.857 1.00 0.00 H ATOM 339 N ILE A 31 -0.157 -13.179 10.661 1.00 1.00 N ATOM 340 CA ILE A 31 -0.113 -13.375 9.209 1.00 1.00 C ATOM 341 C ILE A 31 -0.765 -12.180 8.486 1.00 1.00 C ATOM 342 O ILE A 31 -1.901 -11.845 8.823 1.00 1.00 O ATOM 343 CB ILE A 31 -0.828 -14.711 8.891 1.00 1.00 C ATOM 344 CG1 ILE A 31 -0.228 -15.925 9.644 1.00 1.00 C ATOM 345 CG2 ILE A 31 -0.845 -14.992 7.386 1.00 1.00 C ATOM 346 CD1 ILE A 31 1.260 -16.207 9.375 1.00 1.00 C ATOM 347 H ILE A 31 -1.055 -13.411 11.131 1.00 0.00 H ATOM 348 N PRO A 32 -0.100 -11.537 7.499 1.00 1.00 N ATOM 349 CA PRO A 32 -0.653 -10.391 6.771 1.00 1.00 C ATOM 350 C PRO A 32 -1.658 -10.816 5.687 1.00 1.00 C ATOM 351 O PRO A 32 -1.292 -11.451 4.698 1.00 1.00 O ATOM 352 CB PRO A 32 0.570 -9.681 6.176 1.00 1.00 C ATOM 353 CG PRO A 32 1.572 -10.810 5.940 1.00 1.00 C ATOM 354 CD PRO A 32 1.281 -11.776 7.089 1.00 1.00 C ATOM 355 N VAL A 33 -2.924 -10.422 5.847 1.00 1.00 N ATOM 356 CA VAL A 33 -4.011 -10.714 4.892 1.00 1.00 C ATOM 357 C VAL A 33 -4.801 -9.471 4.481 1.00 1.00 C ATOM 358 O VAL A 33 -5.086 -8.616 5.310 1.00 1.00 O ATOM 359 CB VAL A 33 -4.941 -11.836 5.400 1.00 1.00 C ATOM 360 CG1 VAL A 33 -5.800 -12.420 4.274 1.00 1.00 C ATOM 361 CG2 VAL A 33 -4.196 -12.985 6.095 1.00 1.00 C ATOM 362 H VAL A 33 -3.159 -9.874 6.699 1.00 0.00 H ATOM 363 N ILE A 34 -5.177 -9.369 3.209 1.00 1.00 N ATOM 364 CA ILE A 34 -6.020 -8.308 2.634 1.00 1.00 C ATOM 365 C ILE A 34 -7.409 -8.879 2.311 1.00 1.00 C ATOM 366 O ILE A 34 -7.505 -10.012 1.838 1.00 1.00 O ATOM 367 CB ILE A 34 -5.302 -7.697 1.410 1.00 1.00 C ATOM 368 CG1 ILE A 34 -4.048 -6.915 1.872 1.00 1.00 C ATOM 369 CG2 ILE A 34 -6.211 -6.771 0.586 1.00 1.00 C ATOM 370 CD1 ILE A 34 -2.957 -6.849 0.798 1.00 1.00 C ATOM 371 H ILE A 34 -4.844 -10.109 2.559 1.00 0.00 H ATOM 372 N ILE A 35 -8.476 -8.107 2.543 1.00 1.00 N ATOM 373 CA ILE A 35 -9.870 -8.492 2.266 1.00 1.00 C ATOM 374 C ILE A 35 -10.619 -7.393 1.491 1.00 1.00 C ATOM 375 O ILE A 35 -10.567 -6.222 1.855 1.00 1.00 O ATOM 376 CB ILE A 35 -10.618 -8.983 3.535 1.00 1.00 C ATOM 377 CG1 ILE A 35 -12.072 -9.402 3.181 1.00 1.00 C ATOM 378 CG2 ILE A 35 -10.624 -7.899 4.629 1.00 1.00 C ATOM 379 CD1 ILE A 35 -12.889 -10.030 4.315 1.00 1.00 C ATOM 380 H ILE A 35 -8.309 -7.164 2.949 1.00 0.00 H ATOM 381 N GLU A 36 -11.353 -7.763 0.438 1.00 1.00 N ATOM 382 CA GLU A 36 -12.098 -6.809 -0.403 1.00 1.00 C ATOM 383 C GLU A 36 -13.378 -7.438 -0.975 1.00 1.00 C ATOM 384 O GLU A 36 -13.389 -8.599 -1.375 1.00 1.00 O ATOM 385 CB GLU A 36 -11.166 -6.287 -1.516 1.00 1.00 C ATOM 386 CG GLU A 36 -11.757 -5.101 -2.299 1.00 1.00 C ATOM 387 CD GLU A 36 -10.829 -4.571 -3.419 1.00 1.00 C ATOM 388 OE1 GLU A 36 -11.249 -3.634 -4.140 1.00 1.00 O ATOM 389 OE2 GLU A 36 -9.693 -5.072 -3.599 1.00 1.00 O ATOM 390 H GLU A 36 -11.401 -8.774 0.200 1.00 0.00 H ATOM 391 N ARG A 37 -14.474 -6.678 -0.996 1.00 1.00 N ATOM 392 CA ARG A 37 -15.769 -7.098 -1.555 1.00 1.00 C ATOM 393 C ARG A 37 -15.690 -7.326 -3.073 1.00 1.00 C ATOM 394 O ARG A 37 -15.061 -6.554 -3.794 1.00 1.00 O ATOM 395 CB ARG A 37 -16.800 -6.027 -1.177 1.00 1.00 C ATOM 396 CG ARG A 37 -18.226 -6.237 -1.713 1.00 1.00 C ATOM 397 CD ARG A 37 -19.226 -5.287 -1.032 1.00 1.00 C ATOM 398 NE ARG A 37 -18.779 -3.874 -1.075 1.00 1.00 N ATOM 399 CZ ARG A 37 -18.116 -3.227 -0.131 1.00 1.00 C ATOM 400 NH1 ARG A 37 -17.869 -3.730 1.037 1.00 1.00 N ATOM 401 NH2 ARG A 37 -17.635 -2.037 -0.317 1.00 1.00 N ATOM 402 HE ARG A 37 -19.010 -3.337 -1.935 1.00 0.00 H ATOM 403 HH12 ARG A 37 -17.342 -3.175 1.741 1.00 0.00 H ATOM 404 HH11 ARG A 37 -18.197 -4.689 1.270 1.00 0.00 H ATOM 405 HH22 ARG A 37 -17.119 -1.559 0.449 1.00 0.00 H ATOM 406 HH21 ARG A 37 -17.765 -1.561 -1.232 1.00 0.00 H ATOM 407 H ARG A 37 -14.409 -5.723 -0.589 1.00 0.00 H ATOM 408 N TYR A 38 -16.365 -8.366 -3.560 1.00 1.00 N ATOM 409 CA TYR A 38 -16.435 -8.722 -4.981 1.00 1.00 C ATOM 410 C TYR A 38 -16.968 -7.636 -5.933 1.00 1.00 C ATOM 411 O TYR A 38 -18.117 -7.209 -5.812 1.00 1.00 O ATOM 412 CB TYR A 38 -17.086 -10.107 -5.151 1.00 1.00 C ATOM 413 CG TYR A 38 -17.529 -10.511 -6.547 1.00 1.00 C ATOM 414 CD1 TYR A 38 -16.582 -10.602 -7.587 1.00 1.00 C ATOM 415 CD2 TYR A 38 -18.867 -10.883 -6.789 1.00 1.00 C ATOM 416 CE1 TYR A 38 -16.970 -11.050 -8.864 1.00 1.00 C ATOM 417 CE2 TYR A 38 -19.251 -11.347 -8.060 1.00 1.00 C ATOM 418 CZ TYR A 38 -18.306 -11.433 -9.103 1.00 1.00 C ATOM 419 OH TYR A 38 -18.689 -11.894 -10.326 1.00 1.00 O ATOM 420 HH TYR A 38 -17.910 -11.890 -10.937 1.00 0.00 H ATOM 421 H TYR A 38 -16.879 -8.968 -2.885 1.00 0.00 H ATOM 422 N LYS A 39 -16.136 -7.186 -6.884 1.00 1.00 N ATOM 423 CA LYS A 39 -16.444 -6.042 -7.768 1.00 1.00 C ATOM 424 C LYS A 39 -17.621 -6.297 -8.724 1.00 1.00 C ATOM 425 O LYS A 39 -18.333 -5.359 -9.082 1.00 1.00 O ATOM 426 CB LYS A 39 -15.184 -5.642 -8.560 1.00 1.00 C ATOM 427 CG LYS A 39 -14.075 -5.077 -7.654 1.00 1.00 C ATOM 428 CD LYS A 39 -12.846 -4.666 -8.475 1.00 1.00 C ATOM 429 CE LYS A 39 -11.750 -4.113 -7.553 1.00 1.00 C ATOM 430 NZ LYS A 39 -10.537 -3.708 -8.320 1.00 1.00 N ATOM 431 HZ1 LYS A 39 -10.156 -4.534 -8.824 1.00 0.00 H ATOM 432 HZ2 LYS A 39 -10.793 -2.969 -9.006 1.00 0.00 H ATOM 433 HZ3 LYS A 39 -9.820 -3.340 -7.663 1.00 0.00 H ATOM 434 H LYS A 39 -15.223 -7.669 -7.006 1.00 0.00 H ATOM 435 N GLY A 40 -17.837 -7.560 -9.111 1.00 1.00 N ATOM 436 CA GLY A 40 -18.907 -7.970 -10.035 1.00 1.00 C ATOM 437 C GLY A 40 -20.319 -7.962 -9.430 1.00 1.00 C ATOM 438 O GLY A 40 -21.296 -7.852 -10.176 1.00 1.00 O ATOM 439 H GLY A 40 -17.209 -8.299 -8.735 1.00 0.00 H ATOM 440 N GLU A 41 -20.446 -8.034 -8.098 1.00 1.00 N ATOM 441 CA GLU A 41 -21.731 -7.945 -7.385 1.00 1.00 C ATOM 442 C GLU A 41 -21.552 -7.407 -5.955 1.00 1.00 C ATOM 443 O GLU A 41 -21.318 -8.157 -5.003 1.00 1.00 O ATOM 444 CB GLU A 41 -22.460 -9.306 -7.438 1.00 1.00 C ATOM 445 CG GLU A 41 -23.748 -9.473 -6.610 1.00 1.00 C ATOM 446 CD GLU A 41 -24.910 -8.506 -6.943 1.00 1.00 C ATOM 447 OE1 GLU A 41 -24.707 -7.455 -7.599 1.00 1.00 O ATOM 448 OE2 GLU A 41 -26.052 -8.785 -6.503 1.00 1.00 O ATOM 449 H GLU A 41 -19.583 -8.161 -7.532 1.00 0.00 H ATOM 450 N LYS A 42 -21.686 -6.086 -5.794 1.00 1.00 N ATOM 451 CA LYS A 42 -21.544 -5.344 -4.522 1.00 1.00 C ATOM 452 C LYS A 42 -22.789 -5.450 -3.612 1.00 1.00 C ATOM 453 O LYS A 42 -23.284 -4.454 -3.085 1.00 1.00 O ATOM 454 CB LYS A 42 -21.144 -3.888 -4.825 1.00 1.00 C ATOM 455 CG LYS A 42 -19.771 -3.762 -5.514 1.00 1.00 C ATOM 456 CD LYS A 42 -19.469 -2.293 -5.855 1.00 1.00 C ATOM 457 CE LYS A 42 -18.094 -2.141 -6.529 1.00 1.00 C ATOM 458 NZ LYS A 42 -17.856 -0.739 -6.973 1.00 1.00 N ATOM 459 HZ1 LYS A 42 -18.590 -0.464 -7.656 1.00 0.00 H ATOM 460 HZ2 LYS A 42 -17.892 -0.105 -6.149 1.00 0.00 H ATOM 461 HZ3 LYS A 42 -16.921 -0.673 -7.423 1.00 0.00 H ATOM 462 H LYS A 42 -21.911 -5.528 -6.642 1.00 0.00 H ATOM 463 N GLN A 43 -23.324 -6.665 -3.459 1.00 1.00 N ATOM 464 CA GLN A 43 -24.576 -6.930 -2.727 1.00 1.00 C ATOM 465 C GLN A 43 -24.416 -6.795 -1.202 1.00 1.00 C ATOM 466 O GLN A 43 -25.314 -6.303 -0.516 1.00 1.00 O ATOM 467 CB GLN A 43 -25.045 -8.343 -3.099 1.00 1.00 C ATOM 468 CG GLN A 43 -26.501 -8.621 -2.707 1.00 1.00 C ATOM 469 CD GLN A 43 -26.946 -10.030 -3.093 1.00 1.00 C ATOM 470 OE1 GLN A 43 -27.234 -10.872 -2.251 1.00 1.00 O ATOM 471 NE2 GLN A 43 -26.903 -10.397 -4.356 1.00 1.00 N ATOM 472 HE22 GLN A 43 -26.661 -9.702 -5.091 1.00 0.00 H ATOM 473 HE21 GLN A 43 -27.111 -11.382 -4.619 1.00 0.00 H ATOM 474 H GLN A 43 -22.826 -7.474 -3.883 1.00 0.00 H ATOM 475 N LEU A 44 -23.265 -7.230 -0.673 1.00 1.00 N ATOM 476 CA LEU A 44 -22.913 -7.114 0.747 1.00 1.00 C ATOM 477 C LEU A 44 -22.573 -5.653 1.135 1.00 1.00 C ATOM 478 O LEU A 44 -22.106 -4.893 0.284 1.00 1.00 O ATOM 479 CB LEU A 44 -21.757 -8.095 1.047 1.00 1.00 C ATOM 480 CG LEU A 44 -22.131 -9.588 0.933 1.00 1.00 C ATOM 481 CD1 LEU A 44 -20.911 -10.430 1.296 1.00 1.00 C ATOM 482 CD2 LEU A 44 -23.264 -9.998 1.872 1.00 1.00 C ATOM 483 H LEU A 44 -22.576 -7.679 -1.310 1.00 0.00 H ATOM 484 N PRO A 45 -22.800 -5.242 2.401 1.00 1.00 N ATOM 485 CA PRO A 45 -22.664 -3.850 2.837 1.00 1.00 C ATOM 486 C PRO A 45 -21.218 -3.327 2.824 1.00 1.00 C ATOM 487 O PRO A 45 -20.257 -4.089 2.912 1.00 1.00 O ATOM 488 CB PRO A 45 -23.264 -3.803 4.250 1.00 1.00 C ATOM 489 CG PRO A 45 -23.074 -5.229 4.761 1.00 1.00 C ATOM 490 CD PRO A 45 -23.298 -6.059 3.500 1.00 1.00 C ATOM 491 N VAL A 46 -21.067 -1.998 2.801 1.00 1.00 N ATOM 492 CA VAL A 46 -19.793 -1.244 2.781 1.00 1.00 C ATOM 493 C VAL A 46 -19.041 -1.197 4.127 1.00 1.00 C ATOM 494 O VAL A 46 -18.365 -0.218 4.449 1.00 1.00 O ATOM 495 CB VAL A 46 -19.998 0.146 2.130 1.00 1.00 C ATOM 496 CG1 VAL A 46 -20.690 0.042 0.762 1.00 1.00 C ATOM 497 CG2 VAL A 46 -20.817 1.125 2.986 1.00 1.00 C ATOM 498 H VAL A 46 -21.940 -1.433 2.797 1.00 0.00 H ATOM 499 N LEU A 47 -19.139 -2.269 4.921 1.00 1.00 N ATOM 500 CA LEU A 47 -18.395 -2.477 6.174 1.00 1.00 C ATOM 501 C LEU A 47 -16.934 -2.869 5.876 1.00 1.00 C ATOM 502 O LEU A 47 -16.466 -3.949 6.231 1.00 1.00 O ATOM 503 CB LEU A 47 -19.142 -3.509 7.046 1.00 1.00 C ATOM 504 CG LEU A 47 -20.537 -3.057 7.523 1.00 1.00 C ATOM 505 CD1 LEU A 47 -21.234 -4.220 8.224 1.00 1.00 C ATOM 506 CD2 LEU A 47 -20.472 -1.883 8.499 1.00 1.00 C ATOM 507 H LEU A 47 -19.797 -3.019 4.628 1.00 0.00 H ATOM 508 N ASP A 48 -16.224 -1.996 5.169 1.00 1.00 N ATOM 509 CA ASP A 48 -14.900 -2.215 4.584 1.00 1.00 C ATOM 510 C ASP A 48 -13.763 -2.530 5.578 1.00 1.00 C ATOM 511 O ASP A 48 -13.062 -1.636 6.041 1.00 1.00 O ATOM 512 CB ASP A 48 -14.553 -1.053 3.624 1.00 1.00 C ATOM 513 CG ASP A 48 -15.362 -1.034 2.312 1.00 1.00 C ATOM 514 OD1 ASP A 48 -16.341 -1.803 2.162 1.00 1.00 O ATOM 515 OD2 ASP A 48 -15.006 -0.257 1.397 1.00 1.00 O ATOM 516 H ASP A 48 -16.653 -1.061 5.016 1.00 0.00 H ATOM 517 N LYS A 49 -13.554 -3.814 5.913 1.00 1.00 N ATOM 518 CA LYS A 49 -12.454 -4.246 6.810 1.00 1.00 C ATOM 519 C LYS A 49 -11.057 -4.037 6.207 1.00 1.00 C ATOM 520 O LYS A 49 -10.114 -3.801 6.950 1.00 1.00 O ATOM 521 CB LYS A 49 -12.661 -5.716 7.238 1.00 1.00 C ATOM 522 CG LYS A 49 -13.981 -6.036 7.965 1.00 1.00 C ATOM 523 CD LYS A 49 -14.233 -5.276 9.282 1.00 1.00 C ATOM 524 CE LYS A 49 -14.845 -3.878 9.071 1.00 1.00 C ATOM 525 NZ LYS A 49 -15.324 -3.280 10.354 1.00 1.00 N ATOM 526 HZ1 LYS A 49 -16.051 -3.895 10.771 1.00 0.00 H ATOM 527 HZ2 LYS A 49 -14.524 -3.190 11.013 1.00 0.00 H ATOM 528 HZ3 LYS A 49 -15.728 -2.340 10.167 1.00 0.00 H ATOM 529 H LYS A 49 -14.192 -4.538 5.526 1.00 0.00 H ATOM 530 N THR A 50 -10.938 -4.108 4.878 1.00 1.00 N ATOM 531 CA THR A 50 -9.705 -3.920 4.068 1.00 1.00 C ATOM 532 C THR A 50 -8.521 -4.867 4.270 1.00 1.00 C ATOM 533 O THR A 50 -7.968 -5.387 3.305 1.00 1.00 O ATOM 534 CB THR A 50 -9.259 -2.461 3.934 1.00 1.00 C ATOM 535 OG1 THR A 50 -8.367 -2.134 4.964 1.00 1.00 O ATOM 536 CG2 THR A 50 -10.367 -1.422 3.995 1.00 1.00 C ATOM 537 HG1 THR A 50 -8.814 -2.259 5.838 1.00 0.00 H ATOM 538 H THR A 50 -11.808 -4.319 4.349 1.00 0.00 H ATOM 539 N LYS A 51 -8.134 -5.154 5.513 1.00 1.00 N ATOM 540 CA LYS A 51 -7.063 -6.104 5.863 1.00 1.00 C ATOM 541 C LYS A 51 -7.283 -6.715 7.246 1.00 1.00 C ATOM 542 O LYS A 51 -8.125 -6.250 8.004 1.00 1.00 O ATOM 543 CB LYS A 51 -5.694 -5.396 5.705 1.00 1.00 C ATOM 544 CG LYS A 51 -5.487 -4.187 6.641 1.00 1.00 C ATOM 545 CD LYS A 51 -5.110 -2.874 5.925 1.00 1.00 C ATOM 546 CE LYS A 51 -3.828 -2.895 5.065 1.00 1.00 C ATOM 547 NZ LYS A 51 -2.592 -3.212 5.846 1.00 1.00 N ATOM 548 HZ1 LYS A 51 -2.459 -2.495 6.588 1.00 0.00 H ATOM 549 HZ2 LYS A 51 -2.691 -4.151 6.283 1.00 0.00 H ATOM 550 HZ3 LYS A 51 -1.770 -3.210 5.208 1.00 0.00 H ATOM 551 H LYS A 51 -8.624 -4.672 6.293 1.00 0.00 H ATOM 552 N PHE A 52 -6.518 -7.752 7.573 1.00 1.00 N ATOM 553 CA PHE A 52 -6.412 -8.346 8.909 1.00 1.00 C ATOM 554 C PHE A 52 -5.077 -9.024 9.233 1.00 1.00 C ATOM 555 O PHE A 52 -4.394 -9.518 8.340 1.00 1.00 O ATOM 556 CB PHE A 52 -7.662 -9.143 9.335 1.00 1.00 C ATOM 557 CG PHE A 52 -8.293 -10.005 8.261 1.00 1.00 C ATOM 558 CD1 PHE A 52 -7.621 -11.149 7.800 1.00 1.00 C ATOM 559 CD2 PHE A 52 -9.574 -9.709 7.764 1.00 1.00 C ATOM 560 CE1 PHE A 52 -8.222 -11.995 6.853 1.00 1.00 C ATOM 561 CE2 PHE A 52 -10.186 -10.574 6.841 1.00 1.00 C ATOM 562 CZ PHE A 52 -9.509 -11.714 6.374 1.00 1.00 C ATOM 563 H PHE A 52 -5.946 -8.178 6.816 1.00 0.00 H ATOM 564 N LEU A 53 -4.705 -9.045 10.518 1.00 1.00 N ATOM 565 CA LEU A 53 -3.474 -9.671 11.018 1.00 1.00 C ATOM 566 C LEU A 53 -3.862 -10.906 11.830 1.00 1.00 C ATOM 567 O LEU A 53 -4.250 -10.794 12.987 1.00 1.00 O ATOM 568 CB LEU A 53 -2.674 -8.642 11.842 1.00 1.00 C ATOM 569 CG LEU A 53 -2.288 -7.358 11.092 1.00 1.00 C ATOM 570 CD1 LEU A 53 -1.517 -6.451 12.048 1.00 1.00 C ATOM 571 CD2 LEU A 53 -1.446 -7.644 9.850 1.00 1.00 C ATOM 572 H LEU A 53 -5.331 -8.586 11.211 1.00 0.00 H ATOM 573 N VAL A 54 -3.828 -12.083 11.210 1.00 1.00 N ATOM 574 CA VAL A 54 -4.347 -13.323 11.823 1.00 1.00 C ATOM 575 C VAL A 54 -3.281 -14.101 12.595 1.00 1.00 C ATOM 576 O VAL A 54 -2.259 -14.402 11.989 1.00 1.00 O ATOM 577 CB VAL A 54 -5.085 -14.223 10.807 1.00 1.00 C ATOM 578 CG1 VAL A 54 -6.105 -15.113 11.519 1.00 1.00 C ATOM 579 CG2 VAL A 54 -5.836 -13.443 9.725 1.00 1.00 C ATOM 580 H VAL A 54 -3.419 -12.132 10.255 1.00 0.00 H ATOM 581 N PRO A 55 -3.457 -14.461 13.881 1.00 1.00 N ATOM 582 CA PRO A 55 -2.515 -15.349 14.569 1.00 1.00 C ATOM 583 C PRO A 55 -2.355 -16.685 13.833 1.00 1.00 C ATOM 584 O PRO A 55 -3.350 -17.296 13.449 1.00 1.00 O ATOM 585 CB PRO A 55 -3.053 -15.554 15.990 1.00 1.00 C ATOM 586 CG PRO A 55 -4.071 -14.432 16.189 1.00 1.00 C ATOM 587 CD PRO A 55 -4.510 -14.019 14.785 1.00 1.00 C ATOM 588 N ASP A 56 -1.117 -17.148 13.679 1.00 1.00 N ATOM 589 CA ASP A 56 -0.732 -18.391 12.988 1.00 1.00 C ATOM 590 C ASP A 56 -1.638 -19.626 13.194 1.00 1.00 C ATOM 591 O ASP A 56 -1.942 -20.366 12.256 1.00 1.00 O ATOM 592 CB ASP A 56 0.731 -18.727 13.338 1.00 1.00 C ATOM 593 CG ASP A 56 1.103 -18.680 14.841 1.00 1.00 C ATOM 594 OD1 ASP A 56 2.321 -18.656 15.144 1.00 1.00 O ATOM 595 OD2 ASP A 56 0.205 -18.719 15.722 1.00 1.00 O ATOM 596 H ASP A 56 -0.348 -16.578 14.085 1.00 0.00 H ATOM 597 N HIS A 57 -2.082 -19.824 14.438 1.00 1.00 N ATOM 598 CA HIS A 57 -2.871 -20.967 14.911 1.00 1.00 C ATOM 599 C HIS A 57 -4.404 -20.810 14.812 1.00 1.00 C ATOM 600 O HIS A 57 -5.129 -21.726 15.198 1.00 1.00 O ATOM 601 CB HIS A 57 -2.397 -21.333 16.332 1.00 1.00 C ATOM 602 CG HIS A 57 -2.567 -20.260 17.383 1.00 1.00 C ATOM 603 ND1 HIS A 57 -1.701 -19.205 17.623 1.00 1.00 N ATOM 604 CD2 HIS A 57 -3.481 -20.286 18.399 1.00 1.00 C ATOM 605 CE1 HIS A 57 -2.102 -18.586 18.753 1.00 1.00 C ATOM 606 NE2 HIS A 57 -3.188 -19.225 19.237 1.00 1.00 N ATOM 607 H HIS A 57 -1.845 -19.096 15.141 1.00 0.00 H ATOM 608 N VAL A 58 -4.925 -19.689 14.294 1.00 1.00 N ATOM 609 CA VAL A 58 -6.369 -19.522 13.995 1.00 1.00 C ATOM 610 C VAL A 58 -6.732 -20.414 12.797 1.00 1.00 C ATOM 611 O VAL A 58 -6.019 -20.428 11.792 1.00 1.00 O ATOM 612 CB VAL A 58 -6.689 -18.045 13.681 1.00 1.00 C ATOM 613 CG1 VAL A 58 -8.086 -17.807 13.091 1.00 1.00 C ATOM 614 CG2 VAL A 58 -6.607 -17.214 14.967 1.00 1.00 C ATOM 615 H VAL A 58 -4.284 -18.895 14.091 1.00 0.00 H ATOM 616 N ASN A 59 -7.852 -21.137 12.867 1.00 1.00 N ATOM 617 CA ASN A 59 -8.380 -21.912 11.734 1.00 1.00 C ATOM 618 C ASN A 59 -9.095 -21.020 10.711 1.00 1.00 C ATOM 619 O ASN A 59 -9.717 -20.026 11.081 1.00 1.00 O ATOM 620 CB ASN A 59 -9.306 -23.025 12.266 1.00 1.00 C ATOM 621 CG ASN A 59 -8.568 -24.132 13.008 1.00 1.00 C ATOM 622 OD1 ASN A 59 -7.357 -24.295 12.932 1.00 1.00 O ATOM 623 ND2 ASN A 59 -9.286 -24.949 13.745 1.00 1.00 N ATOM 624 HD22 ASN A 59 -10.315 -24.818 13.815 1.00 0.00 H ATOM 625 HD21 ASN A 59 -8.825 -25.727 14.258 1.00 0.00 H ATOM 626 H ASN A 59 -8.376 -21.153 13.765 1.00 0.00 H ATOM 627 N MET A 60 -9.090 -21.389 9.428 1.00 1.00 N ATOM 628 CA MET A 60 -9.798 -20.656 8.364 1.00 1.00 C ATOM 629 C MET A 60 -11.311 -20.551 8.637 1.00 1.00 C ATOM 630 O MET A 60 -11.900 -19.491 8.445 1.00 1.00 O ATOM 631 CB MET A 60 -9.491 -21.340 7.018 1.00 1.00 C ATOM 632 CG MET A 60 -10.124 -20.638 5.814 1.00 1.00 C ATOM 633 SD MET A 60 -9.453 -18.988 5.477 1.00 1.00 S ATOM 634 CE MET A 60 -10.659 -18.428 4.243 1.00 1.00 C ATOM 635 H MET A 60 -8.556 -22.242 9.165 1.00 0.00 H ATOM 636 N SER A 61 -11.916 -21.606 9.179 1.00 1.00 N ATOM 637 CA SER A 61 -13.300 -21.625 9.679 1.00 1.00 C ATOM 638 C SER A 61 -13.548 -20.627 10.821 1.00 1.00 C ATOM 639 O SER A 61 -14.580 -19.957 10.844 1.00 1.00 O ATOM 640 CB SER A 61 -13.638 -23.048 10.136 1.00 1.00 C ATOM 641 OG SER A 61 -12.664 -23.506 11.068 1.00 1.00 O ATOM 642 HG SER A 61 -12.892 -24.425 11.356 1.00 0.00 H ATOM 643 H SER A 61 -11.367 -22.486 9.255 1.00 0.00 H ATOM 644 N GLU A 62 -12.591 -20.464 11.740 1.00 1.00 N ATOM 645 CA GLU A 62 -12.664 -19.472 12.821 1.00 1.00 C ATOM 646 C GLU A 62 -12.491 -18.038 12.289 1.00 1.00 C ATOM 647 O GLU A 62 -13.256 -17.160 12.682 1.00 1.00 O ATOM 648 CB GLU A 62 -11.646 -19.826 13.920 1.00 1.00 C ATOM 649 CG GLU A 62 -11.666 -18.888 15.140 1.00 1.00 C ATOM 650 CD GLU A 62 -12.950 -18.955 16.000 1.00 1.00 C ATOM 651 OE1 GLU A 62 -13.842 -19.804 15.753 1.00 1.00 O ATOM 652 OE2 GLU A 62 -13.063 -18.152 16.957 1.00 1.00 O ATOM 653 H GLU A 62 -11.749 -21.072 11.687 1.00 0.00 H ATOM 654 N LEU A 63 -11.575 -17.808 11.334 1.00 1.00 N ATOM 655 CA LEU A 63 -11.440 -16.522 10.622 1.00 1.00 C ATOM 656 C LEU A 63 -12.752 -16.143 9.916 1.00 1.00 C ATOM 657 O LEU A 63 -13.238 -15.026 10.077 1.00 1.00 O ATOM 658 CB LEU A 63 -10.250 -16.594 9.632 1.00 1.00 C ATOM 659 CG LEU A 63 -10.099 -15.360 8.713 1.00 1.00 C ATOM 660 CD1 LEU A 63 -9.704 -14.116 9.509 1.00 1.00 C ATOM 661 CD2 LEU A 63 -9.038 -15.613 7.642 1.00 1.00 C ATOM 662 H LEU A 63 -10.924 -18.579 11.082 1.00 0.00 H ATOM 663 N ILE A 64 -13.361 -17.085 9.190 1.00 1.00 N ATOM 664 CA ILE A 64 -14.682 -16.922 8.558 1.00 1.00 C ATOM 665 C ILE A 64 -15.726 -16.480 9.590 1.00 1.00 C ATOM 666 O ILE A 64 -16.474 -15.547 9.321 1.00 1.00 O ATOM 667 CB ILE A 64 -15.075 -18.238 7.838 1.00 1.00 C ATOM 668 CG1 ILE A 64 -14.317 -18.333 6.498 1.00 1.00 C ATOM 669 CG2 ILE A 64 -16.595 -18.414 7.632 1.00 1.00 C ATOM 670 CD1 ILE A 64 -14.216 -19.763 5.955 1.00 1.00 C ATOM 671 H ILE A 64 -12.870 -17.993 9.063 1.00 0.00 H ATOM 672 N LYS A 65 -15.752 -17.098 10.779 1.00 1.00 N ATOM 673 CA LYS A 65 -16.716 -16.792 11.849 1.00 1.00 C ATOM 674 C LYS A 65 -16.590 -15.350 12.363 1.00 1.00 C ATOM 675 O LYS A 65 -17.584 -14.625 12.362 1.00 1.00 O ATOM 676 CB LYS A 65 -16.540 -17.843 12.958 1.00 1.00 C ATOM 677 CG LYS A 65 -17.702 -17.853 13.962 1.00 1.00 C ATOM 678 CD LYS A 65 -17.355 -18.676 15.214 1.00 1.00 C ATOM 679 CE LYS A 65 -17.154 -20.174 14.921 1.00 1.00 C ATOM 680 NZ LYS A 65 -16.405 -20.841 16.023 1.00 1.00 N ATOM 681 HZ1 LYS A 65 -15.472 -20.394 16.127 1.00 0.00 H ATOM 682 HZ2 LYS A 65 -16.938 -20.744 16.911 1.00 0.00 H ATOM 683 HZ3 LYS A 65 -16.285 -21.849 15.798 1.00 0.00 H ATOM 684 H LYS A 65 -15.046 -17.841 10.957 1.00 0.00 H ATOM 685 N ILE A 66 -15.381 -14.898 12.728 1.00 1.00 N ATOM 686 CA ILE A 66 -15.161 -13.512 13.211 1.00 1.00 C ATOM 687 C ILE A 66 -15.446 -12.491 12.106 1.00 1.00 C ATOM 688 O ILE A 66 -16.118 -11.493 12.359 1.00 1.00 O ATOM 689 CB ILE A 66 -13.775 -13.328 13.888 1.00 1.00 C ATOM 690 CG1 ILE A 66 -13.526 -11.889 14.411 1.00 1.00 C ATOM 691 CG2 ILE A 66 -12.577 -13.784 13.039 1.00 1.00 C ATOM 692 CD1 ILE A 66 -12.870 -10.873 13.457 1.00 1.00 C ATOM 693 H ILE A 66 -14.567 -15.543 12.670 1.00 0.00 H ATOM 694 N ILE A 67 -15.016 -12.749 10.866 1.00 1.00 N ATOM 695 CA ILE A 67 -15.242 -11.827 9.743 1.00 1.00 C ATOM 696 C ILE A 67 -16.728 -11.759 9.353 1.00 1.00 C ATOM 697 O ILE A 67 -17.252 -10.660 9.195 1.00 1.00 O ATOM 698 CB ILE A 67 -14.286 -12.179 8.579 1.00 1.00 C ATOM 699 CG1 ILE A 67 -12.800 -11.976 8.972 1.00 1.00 C ATOM 700 CG2 ILE A 67 -14.586 -11.347 7.324 1.00 1.00 C ATOM 701 CD1 ILE A 67 -12.383 -10.566 9.423 1.00 1.00 C ATOM 702 H ILE A 67 -14.502 -13.636 10.689 1.00 0.00 H ATOM 703 N ARG A 68 -17.457 -12.882 9.321 1.00 1.00 N ATOM 704 CA ARG A 68 -18.920 -12.903 9.100 1.00 1.00 C ATOM 705 C ARG A 68 -19.666 -12.072 10.152 1.00 1.00 C ATOM 706 O ARG A 68 -20.523 -11.262 9.800 1.00 1.00 O ATOM 707 CB ARG A 68 -19.410 -14.368 9.054 1.00 1.00 C ATOM 708 CG ARG A 68 -20.893 -14.461 8.670 1.00 1.00 C ATOM 709 CD ARG A 68 -21.472 -15.881 8.659 1.00 1.00 C ATOM 710 NE ARG A 68 -21.368 -16.560 9.968 1.00 1.00 N ATOM 711 CZ ARG A 68 -22.142 -16.413 11.032 1.00 1.00 C ATOM 712 NH1 ARG A 68 -23.083 -15.514 11.109 1.00 1.00 N ATOM 713 NH2 ARG A 68 -21.972 -17.181 12.069 1.00 1.00 N ATOM 714 HE ARG A 68 -20.587 -17.240 10.066 1.00 0.00 H ATOM 715 HH12 ARG A 68 -23.663 -15.441 11.969 1.00 0.00 H ATOM 716 HH11 ARG A 68 -23.254 -14.870 10.310 1.00 0.00 H ATOM 717 HH22 ARG A 68 -22.579 -17.067 12.906 1.00 0.00 H ATOM 718 HH21 ARG A 68 -21.229 -17.909 12.061 1.00 0.00 H ATOM 719 H ARG A 68 -16.968 -13.789 9.459 1.00 0.00 H ATOM 720 N ARG A 69 -19.292 -12.213 11.431 1.00 1.00 N ATOM 721 CA ARG A 69 -19.842 -11.420 12.554 1.00 1.00 C ATOM 722 C ARG A 69 -19.486 -9.932 12.464 1.00 1.00 C ATOM 723 O ARG A 69 -20.363 -9.102 12.688 1.00 1.00 O ATOM 724 CB ARG A 69 -19.414 -12.064 13.894 1.00 1.00 C ATOM 725 CG ARG A 69 -19.802 -11.268 15.156 1.00 1.00 C ATOM 726 CD ARG A 69 -21.311 -10.999 15.281 1.00 1.00 C ATOM 727 NE ARG A 69 -21.588 -10.052 16.379 1.00 1.00 N ATOM 728 CZ ARG A 69 -21.714 -8.736 16.302 1.00 1.00 C ATOM 729 NH1 ARG A 69 -21.512 -8.063 15.202 1.00 1.00 N ATOM 730 NH2 ARG A 69 -22.050 -8.058 17.363 1.00 1.00 N ATOM 731 HE ARG A 69 -21.697 -10.468 17.326 1.00 0.00 H ATOM 732 HH12 ARG A 69 -21.625 -7.029 15.197 1.00 0.00 H ATOM 733 HH11 ARG A 69 -21.238 -8.561 14.331 1.00 0.00 H ATOM 734 HH22 ARG A 69 -22.151 -7.024 17.309 1.00 0.00 H ATOM 735 HH21 ARG A 69 -22.218 -8.551 18.263 1.00 0.00 H ATOM 736 H ARG A 69 -18.568 -12.927 11.649 1.00 0.00 H ATOM 737 N ARG A 70 -18.253 -9.575 12.098 1.00 1.00 N ATOM 738 CA ARG A 70 -17.812 -8.170 11.889 1.00 1.00 C ATOM 739 C ARG A 70 -18.460 -7.487 10.676 1.00 1.00 C ATOM 740 O ARG A 70 -18.676 -6.280 10.698 1.00 1.00 O ATOM 741 CB ARG A 70 -16.273 -8.113 11.818 1.00 1.00 C ATOM 742 CG ARG A 70 -15.578 -8.278 13.183 1.00 1.00 C ATOM 743 CD ARG A 70 -15.775 -7.051 14.085 1.00 1.00 C ATOM 744 NE ARG A 70 -15.114 -7.235 15.391 1.00 1.00 N ATOM 745 CZ ARG A 70 -14.330 -6.367 16.010 1.00 1.00 C ATOM 746 NH1 ARG A 70 -13.861 -5.290 15.464 1.00 1.00 N ATOM 747 NH2 ARG A 70 -13.968 -6.540 17.243 1.00 1.00 N ATOM 748 HE ARG A 70 -15.281 -8.140 15.875 1.00 0.00 H ATOM 749 HH12 ARG A 70 -13.249 -4.653 16.013 1.00 0.00 H ATOM 750 HH11 ARG A 70 -14.096 -5.063 14.477 1.00 0.00 H ATOM 751 HH22 ARG A 70 -13.351 -5.843 17.707 1.00 0.00 H ATOM 752 HH21 ARG A 70 -14.295 -7.376 17.768 1.00 0.00 H ATOM 753 H ARG A 70 -17.554 -10.330 11.949 1.00 0.00 H ATOM 754 N LEU A 71 -18.821 -8.265 9.656 1.00 1.00 N ATOM 755 CA LEU A 71 -19.641 -7.837 8.511 1.00 1.00 C ATOM 756 C LEU A 71 -21.165 -7.853 8.800 1.00 1.00 C ATOM 757 O LEU A 71 -21.953 -7.558 7.907 1.00 1.00 O ATOM 758 CB LEU A 71 -19.273 -8.703 7.284 1.00 1.00 C ATOM 759 CG LEU A 71 -17.834 -8.525 6.759 1.00 1.00 C ATOM 760 CD1 LEU A 71 -17.558 -9.582 5.691 1.00 1.00 C ATOM 761 CD2 LEU A 71 -17.614 -7.152 6.128 1.00 1.00 C ATOM 762 H LEU A 71 -18.498 -9.253 9.670 1.00 0.00 H ATOM 763 N GLN A 72 -21.589 -8.171 10.035 1.00 1.00 N ATOM 764 CA GLN A 72 -22.992 -8.182 10.501 1.00 1.00 C ATOM 765 C GLN A 72 -23.907 -9.194 9.769 1.00 1.00 C ATOM 766 O GLN A 72 -25.128 -9.017 9.712 1.00 1.00 O ATOM 767 CB GLN A 72 -23.539 -6.735 10.488 1.00 1.00 C ATOM 768 CG GLN A 72 -24.640 -6.476 11.534 1.00 1.00 C ATOM 769 CD GLN A 72 -25.110 -5.019 11.589 1.00 1.00 C ATOM 770 OE1 GLN A 72 -24.693 -4.148 10.835 1.00 1.00 O ATOM 771 NE2 GLN A 72 -26.007 -4.687 12.497 1.00 1.00 N ATOM 772 HE22 GLN A 72 -26.378 -5.407 13.150 1.00 0.00 H ATOM 773 HE21 GLN A 72 -26.344 -3.705 12.561 1.00 0.00 H ATOM 774 H GLN A 72 -20.861 -8.434 10.729 1.00 0.00 H ATOM 775 N LEU A 73 -23.340 -10.258 9.185 1.00 1.00 N ATOM 776 CA LEU A 73 -24.077 -11.205 8.336 1.00 1.00 C ATOM 777 C LEU A 73 -24.647 -12.364 9.173 1.00 1.00 C ATOM 778 O LEU A 73 -23.920 -13.275 9.580 1.00 1.00 O ATOM 779 CB LEU A 73 -23.185 -11.669 7.163 1.00 1.00 C ATOM 780 CG LEU A 73 -22.463 -10.535 6.401 1.00 1.00 C ATOM 781 CD1 LEU A 73 -21.606 -11.101 5.275 1.00 1.00 C ATOM 782 CD2 LEU A 73 -23.416 -9.511 5.785 1.00 1.00 C ATOM 783 H LEU A 73 -22.325 -10.423 9.340 1.00 0.00 H ATOM 784 N ASN A 74 -25.955 -12.327 9.443 1.00 1.00 N ATOM 785 CA ASN A 74 -26.688 -13.368 10.182 1.00 1.00 C ATOM 786 C ASN A 74 -26.685 -14.711 9.412 1.00 1.00 C ATOM 787 O ASN A 74 -26.425 -14.741 8.211 1.00 1.00 O ATOM 788 CB ASN A 74 -28.117 -12.835 10.443 1.00 1.00 C ATOM 789 CG ASN A 74 -28.904 -13.612 11.493 1.00 1.00 C ATOM 790 OD1 ASN A 74 -28.391 -14.462 12.206 1.00 1.00 O ATOM 791 ND2 ASN A 74 -30.182 -13.341 11.615 1.00 1.00 N ATOM 792 HD22 ASN A 74 -30.620 -12.618 11.009 1.00 0.00 H ATOM 793 HD21 ASN A 74 -30.757 -13.849 12.317 1.00 0.00 H ATOM 794 H ASN A 74 -26.494 -11.504 9.107 1.00 0.00 H ATOM 795 N ALA A 75 -27.017 -15.825 10.069 1.00 1.00 N ATOM 796 CA ALA A 75 -26.941 -17.185 9.504 1.00 1.00 C ATOM 797 C ALA A 75 -27.722 -17.372 8.182 1.00 1.00 C ATOM 798 O ALA A 75 -27.304 -18.138 7.312 1.00 1.00 O ATOM 799 CB ALA A 75 -27.471 -18.151 10.569 1.00 1.00 C ATOM 800 H ALA A 75 -27.353 -15.727 11.048 1.00 0.00 H ATOM 801 N ASN A 76 -28.843 -16.656 8.023 1.00 1.00 N ATOM 802 CA ASN A 76 -29.673 -16.671 6.813 1.00 1.00 C ATOM 803 C ASN A 76 -29.050 -15.909 5.615 1.00 1.00 C ATOM 804 O ASN A 76 -29.396 -16.177 4.463 1.00 1.00 O ATOM 805 CB ASN A 76 -31.039 -16.082 7.214 1.00 1.00 C ATOM 806 CG ASN A 76 -32.052 -16.119 6.080 1.00 1.00 C ATOM 807 OD1 ASN A 76 -32.417 -17.171 5.571 1.00 1.00 O ATOM 808 ND2 ASN A 76 -32.569 -14.977 5.683 1.00 1.00 N ATOM 809 HD22 ASN A 76 -32.256 -14.086 6.118 1.00 0.00 H ATOM 810 HD21 ASN A 76 -33.291 -14.965 4.934 1.00 0.00 H ATOM 811 H ASN A 76 -29.146 -16.048 8.811 1.00 0.00 H ATOM 812 N GLN A 77 -28.140 -14.960 5.869 1.00 1.00 N ATOM 813 CA GLN A 77 -27.461 -14.154 4.846 1.00 1.00 C ATOM 814 C GLN A 77 -26.260 -14.920 4.255 1.00 1.00 C ATOM 815 O GLN A 77 -25.380 -15.381 4.988 1.00 1.00 O ATOM 816 CB GLN A 77 -27.073 -12.797 5.471 1.00 1.00 C ATOM 817 CG GLN A 77 -26.388 -11.804 4.517 1.00 1.00 C ATOM 818 CD GLN A 77 -27.246 -11.463 3.299 1.00 1.00 C ATOM 819 OE1 GLN A 77 -27.145 -12.076 2.245 1.00 1.00 O ATOM 820 NE2 GLN A 77 -28.253 -10.626 3.445 1.00 1.00 N ATOM 821 HE22 GLN A 77 -28.362 -10.093 4.331 1.00 0.00 H ATOM 822 HE21 GLN A 77 -28.939 -10.499 2.674 1.00 0.00 H ATOM 823 H GLN A 77 -27.896 -14.780 6.864 1.00 0.00 H ATOM 824 N ALA A 78 -26.213 -15.066 2.925 1.00 1.00 N ATOM 825 CA ALA A 78 -25.160 -15.814 2.233 1.00 1.00 C ATOM 826 C ALA A 78 -23.797 -15.088 2.284 1.00 1.00 C ATOM 827 O ALA A 78 -23.725 -13.874 2.078 1.00 1.00 O ATOM 828 CB ALA A 78 -25.611 -16.085 0.791 1.00 1.00 C ATOM 829 H ALA A 78 -26.962 -14.626 2.354 1.00 0.00 H ATOM 830 N PHE A 79 -22.714 -15.832 2.545 1.00 1.00 N ATOM 831 CA PHE A 79 -21.350 -15.301 2.668 1.00 1.00 C ATOM 832 C PHE A 79 -20.204 -16.278 2.361 1.00 1.00 C ATOM 833 O PHE A 79 -20.247 -17.431 2.790 1.00 1.00 O ATOM 834 CB PHE A 79 -21.174 -14.577 4.014 1.00 1.00 C ATOM 835 CG PHE A 79 -19.746 -14.254 4.412 1.00 1.00 C ATOM 836 CD1 PHE A 79 -19.054 -15.078 5.319 1.00 1.00 C ATOM 837 CD2 PHE A 79 -19.112 -13.116 3.880 1.00 1.00 C ATOM 838 CE1 PHE A 79 -17.746 -14.747 5.713 1.00 1.00 C ATOM 839 CE2 PHE A 79 -17.802 -12.791 4.269 1.00 1.00 C ATOM 840 CZ PHE A 79 -17.122 -13.604 5.191 1.00 1.00 C ATOM 841 H PHE A 79 -22.848 -16.856 2.669 1.00 0.00 H ATOM 842 N PHE A 80 -19.166 -15.807 1.656 1.00 1.00 N ATOM 843 CA PHE A 80 -18.013 -16.605 1.227 1.00 1.00 C ATOM 844 C PHE A 80 -16.695 -15.818 1.266 1.00 1.00 C ATOM 845 O PHE A 80 -16.664 -14.680 0.797 1.00 1.00 O ATOM 846 CB PHE A 80 -18.245 -17.104 -0.215 1.00 1.00 C ATOM 847 CG PHE A 80 -19.445 -18.009 -0.425 1.00 1.00 C ATOM 848 CD1 PHE A 80 -19.302 -19.409 -0.358 1.00 1.00 C ATOM 849 CD2 PHE A 80 -20.706 -17.455 -0.725 1.00 1.00 C ATOM 850 CE1 PHE A 80 -20.409 -20.247 -0.574 1.00 1.00 C ATOM 851 CE2 PHE A 80 -21.814 -18.294 -0.936 1.00 1.00 C ATOM 852 CZ PHE A 80 -21.665 -19.690 -0.860 1.00 1.00 C ATOM 853 H PHE A 80 -19.179 -14.801 1.394 1.00 0.00 H ATOM 854 N LEU A 81 -15.604 -16.422 1.768 1.00 1.00 N ATOM 855 CA LEU A 81 -14.239 -15.878 1.641 1.00 1.00 C ATOM 856 C LEU A 81 -13.532 -16.645 0.518 1.00 1.00 C ATOM 857 O LEU A 81 -13.428 -17.872 0.538 1.00 1.00 O ATOM 858 CB LEU A 81 -13.433 -15.944 2.961 1.00 1.00 C ATOM 859 CG LEU A 81 -13.829 -14.933 4.057 1.00 1.00 C ATOM 860 CD1 LEU A 81 -12.843 -14.995 5.224 1.00 1.00 C ATOM 861 CD2 LEU A 81 -13.827 -13.482 3.569 1.00 1.00 C ATOM 862 H LEU A 81 -15.729 -17.322 2.274 1.00 0.00 H ATOM 863 N LEU A 82 -13.068 -15.903 -0.483 1.00 1.00 N ATOM 864 CA LEU A 82 -12.491 -16.396 -1.728 1.00 1.00 C ATOM 865 C LEU A 82 -10.982 -16.130 -1.711 1.00 1.00 C ATOM 866 O LEU A 82 -10.510 -15.073 -2.135 1.00 1.00 O ATOM 867 CB LEU A 82 -13.215 -15.745 -2.935 1.00 1.00 C ATOM 868 CG LEU A 82 -14.753 -15.623 -2.856 1.00 1.00 C ATOM 869 CD1 LEU A 82 -15.273 -14.910 -4.101 1.00 1.00 C ATOM 870 CD2 LEU A 82 -15.422 -16.996 -2.769 1.00 1.00 C ATOM 871 H LEU A 82 -13.122 -14.871 -0.367 1.00 0.00 H ATOM 872 N VAL A 83 -10.209 -17.088 -1.207 1.00 1.00 N ATOM 873 CA VAL A 83 -8.747 -16.978 -1.093 1.00 1.00 C ATOM 874 C VAL A 83 -8.095 -17.016 -2.473 1.00 1.00 C ATOM 875 O VAL A 83 -8.351 -17.937 -3.247 1.00 1.00 O ATOM 876 CB VAL A 83 -8.158 -18.042 -0.151 1.00 1.00 C ATOM 877 CG1 VAL A 83 -6.724 -17.682 0.229 1.00 1.00 C ATOM 878 CG2 VAL A 83 -8.980 -18.182 1.141 1.00 1.00 C ATOM 879 H VAL A 83 -10.663 -17.963 -0.875 1.00 0.00 H ATOM 880 N ASN A 84 -7.336 -15.972 -2.823 1.00 1.00 N ATOM 881 CA ASN A 84 -6.814 -15.751 -4.182 1.00 1.00 C ATOM 882 C ASN A 84 -7.919 -15.920 -5.261 1.00 1.00 C ATOM 883 O ASN A 84 -7.725 -16.558 -6.297 1.00 1.00 O ATOM 884 CB ASN A 84 -5.556 -16.621 -4.367 1.00 1.00 C ATOM 885 CG ASN A 84 -4.749 -16.292 -5.614 1.00 1.00 C ATOM 886 OD1 ASN A 84 -4.872 -15.241 -6.228 1.00 1.00 O ATOM 887 ND2 ASN A 84 -3.847 -17.167 -5.987 1.00 1.00 N ATOM 888 HD22 ASN A 84 -3.742 -18.061 -5.465 1.00 0.00 H ATOM 889 HD21 ASN A 84 -3.236 -16.968 -6.805 1.00 0.00 H ATOM 890 H ASN A 84 -7.100 -15.273 -2.090 1.00 0.00 H ATOM 891 N GLY A 85 -9.125 -15.406 -4.972 1.00 1.00 N ATOM 892 CA GLY A 85 -10.284 -15.427 -5.879 1.00 1.00 C ATOM 893 C GLY A 85 -11.119 -16.719 -5.894 1.00 1.00 C ATOM 894 O GLY A 85 -12.090 -16.771 -6.647 1.00 1.00 O ATOM 895 H GLY A 85 -9.249 -14.961 -4.040 1.00 0.00 H ATOM 896 N HIS A 86 -10.801 -17.738 -5.076 1.00 1.00 N ATOM 897 CA HIS A 86 -11.506 -19.039 -5.048 1.00 1.00 C ATOM 898 C HIS A 86 -11.964 -19.456 -3.643 1.00 1.00 C ATOM 899 O HIS A 86 -11.233 -19.274 -2.672 1.00 1.00 O ATOM 900 CB HIS A 86 -10.630 -20.111 -5.717 1.00 1.00 C ATOM 901 CG HIS A 86 -10.362 -19.809 -7.172 1.00 1.00 C ATOM 902 ND1 HIS A 86 -9.188 -19.300 -7.704 1.00 1.00 N ATOM 903 CD2 HIS A 86 -11.291 -19.852 -8.176 1.00 1.00 C ATOM 904 CE1 HIS A 86 -9.391 -19.068 -9.017 1.00 1.00 C ATOM 905 NE2 HIS A 86 -10.662 -19.399 -9.327 1.00 1.00 N ATOM 906 H HIS A 86 -10.006 -17.603 -4.419 1.00 0.00 H ATOM 907 N SER A 87 -13.180 -19.984 -3.511 1.00 1.00 N ATOM 908 CA SER A 87 -13.807 -20.270 -2.207 1.00 1.00 C ATOM 909 C SER A 87 -13.068 -21.337 -1.390 1.00 1.00 C ATOM 910 O SER A 87 -12.649 -22.368 -1.922 1.00 1.00 O ATOM 911 CB SER A 87 -15.269 -20.695 -2.390 1.00 1.00 C ATOM 912 OG SER A 87 -15.859 -20.924 -1.118 1.00 1.00 O ATOM 913 HG SER A 87 -16.803 -21.198 -1.238 1.00 0.00 H ATOM 914 H SER A 87 -13.716 -20.207 -4.374 1.00 0.00 H ATOM 915 N MET A 88 -12.963 -21.095 -0.076 1.00 1.00 N ATOM 916 CA MET A 88 -12.490 -22.066 0.931 1.00 1.00 C ATOM 917 C MET A 88 -13.449 -22.160 2.139 1.00 1.00 C ATOM 918 O MET A 88 -13.042 -22.530 3.237 1.00 1.00 O ATOM 919 CB MET A 88 -11.041 -21.744 1.355 1.00 1.00 C ATOM 920 CG MET A 88 -10.042 -21.818 0.195 1.00 1.00 C ATOM 921 SD MET A 88 -8.311 -21.692 0.718 1.00 1.00 S ATOM 922 CE MET A 88 -7.493 -21.929 -0.884 1.00 1.00 C ATOM 923 H MET A 88 -13.236 -20.150 0.261 1.00 0.00 H ATOM 924 N VAL A 89 -14.736 -21.813 1.957 1.00 1.00 N ATOM 925 CA VAL A 89 -15.711 -21.638 3.059 1.00 1.00 C ATOM 926 C VAL A 89 -15.894 -22.830 4.014 1.00 1.00 C ATOM 927 O VAL A 89 -16.151 -22.637 5.201 1.00 1.00 O ATOM 928 CB VAL A 89 -17.048 -21.071 2.528 1.00 1.00 C ATOM 929 CG1 VAL A 89 -17.988 -22.151 1.986 1.00 1.00 C ATOM 930 CG2 VAL A 89 -17.790 -20.266 3.599 1.00 1.00 C ATOM 931 H VAL A 89 -15.067 -21.658 0.983 1.00 0.00 H ATOM 932 N SER A 90 -15.723 -24.058 3.516 1.00 1.00 N ATOM 933 CA SER A 90 -15.899 -25.295 4.298 1.00 1.00 C ATOM 934 C SER A 90 -14.627 -25.789 5.014 1.00 1.00 C ATOM 935 O SER A 90 -14.700 -26.754 5.779 1.00 1.00 O ATOM 936 CB SER A 90 -16.432 -26.407 3.382 1.00 1.00 C ATOM 937 OG SER A 90 -17.689 -26.035 2.825 1.00 1.00 O ATOM 938 HG SER A 90 -18.017 -26.762 2.238 1.00 0.00 H ATOM 939 H SER A 90 -15.449 -24.146 2.517 1.00 0.00 H ATOM 940 N VAL A 91 -13.454 -25.184 4.766 1.00 1.00 N ATOM 941 CA VAL A 91 -12.153 -25.715 5.224 1.00 1.00 C ATOM 942 C VAL A 91 -11.741 -25.368 6.667 1.00 1.00 C ATOM 943 O VAL A 91 -11.876 -24.224 7.103 1.00 1.00 O ATOM 944 CB VAL A 91 -11.050 -25.502 4.160 1.00 1.00 C ATOM 945 CG1 VAL A 91 -10.190 -24.255 4.403 1.00 1.00 C ATOM 946 CG2 VAL A 91 -10.128 -26.722 4.067 1.00 1.00 C ATOM 947 H VAL A 91 -13.461 -24.296 4.224 1.00 0.00 H ATOM 948 N SER A 92 -11.198 -26.349 7.401 1.00 1.00 N ATOM 949 CA SER A 92 -10.789 -26.209 8.818 1.00 1.00 C ATOM 950 C SER A 92 -9.314 -25.818 9.027 1.00 1.00 C ATOM 951 O SER A 92 -8.890 -25.592 10.158 1.00 1.00 O ATOM 952 CB SER A 92 -11.090 -27.509 9.577 1.00 1.00 C ATOM 953 OG SER A 92 -12.485 -27.784 9.566 1.00 1.00 O ATOM 954 HG SER A 92 -12.658 -28.625 10.059 1.00 0.00 H ATOM 955 H SER A 92 -11.054 -27.272 6.944 1.00 0.00 H ATOM 956 N THR A 93 -8.510 -25.753 7.960 1.00 1.00 N ATOM 957 CA THR A 93 -7.046 -25.549 7.994 1.00 1.00 C ATOM 958 C THR A 93 -6.514 -24.334 8.781 1.00 1.00 C ATOM 959 O THR A 93 -7.099 -23.255 8.654 1.00 1.00 O ATOM 960 CB THR A 93 -6.446 -25.570 6.571 1.00 1.00 C ATOM 961 OG1 THR A 93 -7.220 -26.382 5.712 1.00 1.00 O ATOM 962 CG2 THR A 93 -5.008 -26.076 6.517 1.00 1.00 C ATOM 963 HG1 THR A 93 -6.818 -26.381 4.807 1.00 0.00 H ATOM 964 H THR A 93 -8.953 -25.855 7.025 1.00 0.00 H ATOM 965 N PRO A 94 -5.400 -24.436 9.540 1.00 1.00 N ATOM 966 CA PRO A 94 -4.726 -23.276 10.137 1.00 1.00 C ATOM 967 C PRO A 94 -4.314 -22.221 9.098 1.00 1.00 C ATOM 968 O PRO A 94 -3.856 -22.556 8.004 1.00 1.00 O ATOM 969 CB PRO A 94 -3.513 -23.833 10.888 1.00 1.00 C ATOM 970 CG PRO A 94 -3.967 -25.244 11.254 1.00 1.00 C ATOM 971 CD PRO A 94 -4.784 -25.663 10.033 1.00 1.00 C ATOM 972 N ILE A 95 -4.448 -20.938 9.445 1.00 1.00 N ATOM 973 CA ILE A 95 -4.271 -19.820 8.501 1.00 1.00 C ATOM 974 C ILE A 95 -2.857 -19.749 7.905 1.00 1.00 C ATOM 975 O ILE A 95 -2.727 -19.385 6.742 1.00 1.00 O ATOM 976 CB ILE A 95 -4.727 -18.487 9.148 1.00 1.00 C ATOM 977 CG1 ILE A 95 -4.681 -17.275 8.187 1.00 1.00 C ATOM 978 CG2 ILE A 95 -3.864 -18.123 10.373 1.00 1.00 C ATOM 979 CD1 ILE A 95 -5.582 -17.415 6.954 1.00 1.00 C ATOM 980 H ILE A 95 -4.690 -20.717 10.432 1.00 0.00 H ATOM 981 N SER A 96 -1.806 -20.159 8.627 1.00 1.00 N ATOM 982 CA SER A 96 -0.432 -20.198 8.093 1.00 1.00 C ATOM 983 C SER A 96 -0.259 -21.137 6.889 1.00 1.00 C ATOM 984 O SER A 96 0.460 -20.806 5.948 1.00 1.00 O ATOM 985 CB SER A 96 0.559 -20.620 9.180 1.00 1.00 C ATOM 986 OG SER A 96 0.635 -19.605 10.161 1.00 1.00 O ATOM 987 HG SER A 96 -0.260 -19.468 10.562 1.00 0.00 H ATOM 988 H SER A 96 -1.966 -20.464 9.608 1.00 0.00 H ATOM 989 N GLU A 97 -0.941 -22.287 6.883 1.00 1.00 N ATOM 990 CA GLU A 97 -0.878 -23.250 5.770 1.00 1.00 C ATOM 991 C GLU A 97 -1.646 -22.733 4.540 1.00 1.00 C ATOM 992 O GLU A 97 -1.157 -22.815 3.412 1.00 1.00 O ATOM 993 CB GLU A 97 -1.464 -24.604 6.208 1.00 1.00 C ATOM 994 CG GLU A 97 -0.762 -25.258 7.411 1.00 1.00 C ATOM 995 CD GLU A 97 0.707 -25.669 7.156 1.00 1.00 C ATOM 996 OE1 GLU A 97 1.414 -25.973 8.146 1.00 1.00 O ATOM 997 OE2 GLU A 97 1.165 -25.721 5.987 1.00 1.00 O ATOM 998 H GLU A 97 -1.543 -22.512 7.701 1.00 0.00 H ATOM 999 N VAL A 98 -2.819 -22.125 4.767 1.00 1.00 N ATOM 1000 CA VAL A 98 -3.587 -21.412 3.723 1.00 1.00 C ATOM 1001 C VAL A 98 -2.759 -20.249 3.154 1.00 1.00 C ATOM 1002 O VAL A 98 -2.705 -20.046 1.941 1.00 1.00 O ATOM 1003 CB VAL A 98 -4.933 -20.905 4.291 1.00 1.00 C ATOM 1004 CG1 VAL A 98 -5.755 -20.135 3.254 1.00 1.00 C ATOM 1005 CG2 VAL A 98 -5.794 -22.063 4.812 1.00 1.00 C ATOM 1006 H VAL A 98 -3.211 -22.156 5.730 1.00 0.00 H ATOM 1007 N TYR A 99 -2.056 -19.524 4.026 1.00 1.00 N ATOM 1008 CA TYR A 99 -1.115 -18.473 3.668 1.00 1.00 C ATOM 1009 C TYR A 99 0.040 -18.903 2.768 1.00 1.00 C ATOM 1010 O TYR A 99 0.117 -18.440 1.637 1.00 1.00 O ATOM 1011 CB TYR A 99 -0.729 -17.640 4.898 1.00 1.00 C ATOM 1012 CG TYR A 99 0.454 -16.705 4.733 1.00 1.00 C ATOM 1013 CD1 TYR A 99 1.761 -17.138 5.024 1.00 1.00 C ATOM 1014 CD2 TYR A 99 0.230 -15.372 4.349 1.00 1.00 C ATOM 1015 CE1 TYR A 99 2.843 -16.243 4.914 1.00 1.00 C ATOM 1016 CE2 TYR A 99 1.304 -14.474 4.231 1.00 1.00 C ATOM 1017 CZ TYR A 99 2.614 -14.909 4.518 1.00 1.00 C ATOM 1018 OH TYR A 99 3.655 -14.039 4.425 1.00 1.00 O ATOM 1019 HH TYR A 99 3.714 -13.695 3.499 1.00 0.00 H ATOM 1020 H TYR A 99 -2.191 -19.725 5.037 1.00 0.00 H ATOM 1021 N GLU A 100 0.881 -19.851 3.186 1.00 1.00 N ATOM 1022 CA GLU A 100 1.996 -20.325 2.348 1.00 1.00 C ATOM 1023 C GLU A 100 1.539 -20.966 1.018 1.00 1.00 C ATOM 1024 O GLU A 100 2.289 -20.961 0.039 1.00 1.00 O ATOM 1025 CB GLU A 100 2.882 -21.306 3.138 1.00 1.00 C ATOM 1026 CG GLU A 100 3.649 -20.685 4.321 1.00 1.00 C ATOM 1027 CD GLU A 100 4.725 -19.641 3.941 1.00 1.00 C ATOM 1028 OE1 GLU A 100 5.353 -19.076 4.868 1.00 1.00 O ATOM 1029 OE2 GLU A 100 4.984 -19.381 2.740 1.00 1.00 O ATOM 1030 H GLU A 100 0.746 -20.267 4.130 1.00 0.00 H ATOM 1031 N SER A 101 0.301 -21.477 0.956 1.00 1.00 N ATOM 1032 CA SER A 101 -0.315 -21.998 -0.273 1.00 1.00 C ATOM 1033 C SER A 101 -0.715 -20.897 -1.280 1.00 1.00 C ATOM 1034 O SER A 101 -0.577 -21.097 -2.490 1.00 1.00 O ATOM 1035 CB SER A 101 -1.532 -22.852 0.102 1.00 1.00 C ATOM 1036 OG SER A 101 -2.114 -23.458 -1.041 1.00 1.00 O ATOM 1037 HG SER A 101 -2.895 -24.000 -0.764 1.00 0.00 H ATOM 1038 H SER A 101 -0.259 -21.507 1.832 1.00 0.00 H ATOM 1039 N GLU A 102 -1.178 -19.725 -0.814 1.00 1.00 N ATOM 1040 CA GLU A 102 -1.792 -18.673 -1.657 1.00 1.00 C ATOM 1041 C GLU A 102 -1.174 -17.256 -1.537 1.00 1.00 C ATOM 1042 O GLU A 102 -1.663 -16.306 -2.156 1.00 1.00 O ATOM 1043 CB GLU A 102 -3.317 -18.670 -1.438 1.00 1.00 C ATOM 1044 CG GLU A 102 -4.051 -19.937 -1.912 1.00 1.00 C ATOM 1045 CD GLU A 102 -3.990 -20.201 -3.435 1.00 1.00 C ATOM 1046 OE1 GLU A 102 -4.424 -21.301 -3.861 1.00 1.00 O ATOM 1047 OE2 GLU A 102 -3.565 -19.321 -4.223 1.00 1.00 O ATOM 1048 H GLU A 102 -1.100 -19.544 0.207 1.00 0.00 H ATOM 1049 N LYS A 103 -0.079 -17.106 -0.779 1.00 1.00 N ATOM 1050 CA LYS A 103 0.751 -15.893 -0.646 1.00 1.00 C ATOM 1051 C LYS A 103 1.181 -15.345 -2.017 1.00 1.00 C ATOM 1052 O LYS A 103 1.684 -16.088 -2.866 1.00 1.00 O ATOM 1053 CB LYS A 103 1.961 -16.261 0.238 1.00 1.00 C ATOM 1054 CG LYS A 103 3.037 -15.176 0.414 1.00 1.00 C ATOM 1055 CD LYS A 103 4.231 -15.731 1.219 1.00 1.00 C ATOM 1056 CE LYS A 103 5.101 -16.671 0.363 1.00 1.00 C ATOM 1057 NZ LYS A 103 6.122 -17.390 1.176 1.00 1.00 N ATOM 1058 HZ1 LYS A 103 6.748 -16.698 1.635 1.00 0.00 H ATOM 1059 HZ2 LYS A 103 5.645 -17.962 1.902 1.00 0.00 H ATOM 1060 HZ3 LYS A 103 6.683 -18.010 0.557 1.00 0.00 H ATOM 1061 H LYS A 103 0.218 -17.934 -0.224 1.00 0.00 H ATOM 1062 N ASP A 104 0.971 -14.046 -2.230 1.00 1.00 N ATOM 1063 CA ASP A 104 1.212 -13.352 -3.501 1.00 1.00 C ATOM 1064 C ASP A 104 2.664 -12.794 -3.565 1.00 1.00 C ATOM 1065 O ASP A 104 3.460 -12.974 -2.637 1.00 1.00 O ATOM 1066 CB ASP A 104 0.139 -12.254 -3.624 1.00 1.00 C ATOM 1067 CG ASP A 104 0.031 -11.610 -5.019 1.00 1.00 C ATOM 1068 OD1 ASP A 104 0.502 -12.209 -6.015 1.00 1.00 O ATOM 1069 OD2 ASP A 104 -0.544 -10.502 -5.126 1.00 1.00 O ATOM 1070 H ASP A 104 0.609 -13.481 -1.435 1.00 0.00 H ATOM 1071 N GLU A 105 3.012 -12.120 -4.667 1.00 1.00 N ATOM 1072 CA GLU A 105 4.363 -11.680 -5.058 1.00 1.00 C ATOM 1073 C GLU A 105 5.231 -11.024 -3.963 1.00 1.00 C ATOM 1074 O GLU A 105 6.444 -11.250 -3.930 1.00 1.00 O ATOM 1075 CB GLU A 105 4.243 -10.681 -6.229 1.00 1.00 C ATOM 1076 CG GLU A 105 3.747 -11.301 -7.547 1.00 1.00 C ATOM 1077 CD GLU A 105 4.725 -12.302 -8.204 1.00 1.00 C ATOM 1078 OE1 GLU A 105 4.312 -12.993 -9.169 1.00 1.00 O ATOM 1079 OE2 GLU A 105 5.909 -12.408 -7.799 1.00 1.00 O ATOM 1080 H GLU A 105 2.241 -11.879 -5.322 1.00 0.00 H ATOM 1081 N ASP A 106 4.633 -10.226 -3.069 1.00 1.00 N ATOM 1082 CA ASP A 106 5.328 -9.440 -2.036 1.00 1.00 C ATOM 1083 C ASP A 106 5.047 -9.778 -0.557 1.00 1.00 C ATOM 1084 O ASP A 106 5.281 -8.973 0.346 1.00 1.00 O ATOM 1085 CB ASP A 106 5.419 -7.956 -2.418 1.00 1.00 C ATOM 1086 CG ASP A 106 6.500 -7.712 -3.486 1.00 1.00 C ATOM 1087 OD1 ASP A 106 6.158 -7.393 -4.650 1.00 1.00 O ATOM 1088 OD2 ASP A 106 7.707 -7.813 -3.154 1.00 1.00 O ATOM 1089 H ASP A 106 3.596 -10.156 -3.107 1.00 0.00 H ATOM 1090 N GLY A 107 4.547 -10.995 -0.304 1.00 1.00 N ATOM 1091 CA GLY A 107 4.420 -11.577 1.044 1.00 1.00 C ATOM 1092 C GLY A 107 3.056 -11.433 1.722 1.00 1.00 C ATOM 1093 O GLY A 107 2.861 -12.003 2.794 1.00 1.00 O ATOM 1094 H GLY A 107 4.227 -11.567 -1.112 1.00 0.00 H ATOM 1095 N PHE A 108 2.107 -10.715 1.121 1.00 1.00 N ATOM 1096 CA PHE A 108 0.695 -10.669 1.535 1.00 1.00 C ATOM 1097 C PHE A 108 -0.203 -11.791 0.981 1.00 1.00 C ATOM 1098 O PHE A 108 0.074 -12.337 -0.086 1.00 1.00 O ATOM 1099 CB PHE A 108 0.099 -9.253 1.390 1.00 1.00 C ATOM 1100 CG PHE A 108 0.572 -8.463 0.177 1.00 1.00 C ATOM 1101 CD1 PHE A 108 0.517 -9.036 -1.107 1.00 1.00 C ATOM 1102 CD2 PHE A 108 1.093 -7.164 0.330 1.00 1.00 C ATOM 1103 CE1 PHE A 108 1.022 -8.341 -2.221 1.00 1.00 C ATOM 1104 CE2 PHE A 108 1.587 -6.466 -0.784 1.00 1.00 C ATOM 1105 CZ PHE A 108 1.566 -7.057 -2.055 1.00 1.00 C ATOM 1106 H PHE A 108 2.385 -10.144 0.297 1.00 0.00 H ATOM 1107 N LEU A 109 -1.297 -12.124 1.674 1.00 1.00 N ATOM 1108 CA LEU A 109 -2.356 -13.016 1.172 1.00 1.00 C ATOM 1109 C LEU A 109 -3.617 -12.217 0.813 1.00 1.00 C ATOM 1110 O LEU A 109 -4.010 -11.339 1.573 1.00 1.00 O ATOM 1111 CB LEU A 109 -2.613 -14.090 2.245 1.00 1.00 C ATOM 1112 CG LEU A 109 -3.792 -15.049 1.995 1.00 1.00 C ATOM 1113 CD1 LEU A 109 -3.443 -16.034 0.889 1.00 1.00 C ATOM 1114 CD2 LEU A 109 -4.110 -15.846 3.260 1.00 1.00 C ATOM 1115 H LEU A 109 -1.407 -11.728 2.629 1.00 0.00 H ATOM 1116 N TYR A 110 -4.285 -12.556 -0.294 1.00 1.00 N ATOM 1117 CA TYR A 110 -5.580 -11.977 -0.689 1.00 1.00 C ATOM 1118 C TYR A 110 -6.829 -12.833 -0.434 1.00 1.00 C ATOM 1119 O TYR A 110 -6.834 -14.025 -0.737 1.00 1.00 O ATOM 1120 CB TYR A 110 -5.528 -11.411 -2.119 1.00 1.00 C ATOM 1121 CG TYR A 110 -4.847 -10.060 -2.257 1.00 1.00 C ATOM 1122 CD1 TYR A 110 -5.621 -8.884 -2.363 1.00 1.00 C ATOM 1123 CD2 TYR A 110 -3.442 -9.979 -2.331 1.00 1.00 C ATOM 1124 CE1 TYR A 110 -4.989 -7.637 -2.548 1.00 1.00 C ATOM 1125 CE2 TYR A 110 -2.812 -8.733 -2.505 1.00 1.00 C ATOM 1126 CZ TYR A 110 -3.583 -7.555 -2.619 1.00 1.00 C ATOM 1127 OH TYR A 110 -2.975 -6.344 -2.780 1.00 1.00 O ATOM 1128 HH TYR A 110 -3.664 -5.636 -2.841 1.00 0.00 H ATOM 1129 H TYR A 110 -3.863 -13.275 -0.916 1.00 0.00 H ATOM 1130 N MET A 111 -7.910 -12.222 0.057 1.00 1.00 N ATOM 1131 CA MET A 111 -9.245 -12.824 0.165 1.00 1.00 C ATOM 1132 C MET A 111 -10.301 -11.881 -0.431 1.00 1.00 C ATOM 1133 O MET A 111 -10.560 -10.814 0.111 1.00 1.00 O ATOM 1134 CB MET A 111 -9.579 -13.165 1.634 1.00 1.00 C ATOM 1135 CG MET A 111 -8.576 -14.122 2.291 1.00 1.00 C ATOM 1136 SD MET A 111 -9.140 -14.821 3.860 1.00 1.00 S ATOM 1137 CE MET A 111 -7.776 -15.974 4.191 1.00 1.00 C ATOM 1138 H MET A 111 -7.798 -11.243 0.389 1.00 0.00 H ATOM 1139 N VAL A 112 -10.951 -12.257 -1.529 1.00 1.00 N ATOM 1140 CA VAL A 112 -12.128 -11.509 -2.025 1.00 1.00 C ATOM 1141 C VAL A 112 -13.349 -12.051 -1.279 1.00 1.00 C ATOM 1142 O VAL A 112 -13.365 -13.240 -0.985 1.00 1.00 O ATOM 1143 CB VAL A 112 -12.264 -11.625 -3.556 1.00 1.00 C ATOM 1144 CG1 VAL A 112 -13.507 -10.906 -4.092 1.00 1.00 C ATOM 1145 CG2 VAL A 112 -11.037 -11.026 -4.253 1.00 1.00 C ATOM 1146 H VAL A 112 -10.625 -13.095 -2.051 1.00 0.00 H ATOM 1147 N TYR A 113 -14.368 -11.258 -0.938 1.00 1.00 N ATOM 1148 CA TYR A 113 -15.542 -11.799 -0.226 1.00 1.00 C ATOM 1149 C TYR A 113 -16.817 -11.403 -0.966 1.00 1.00 C ATOM 1150 O TYR A 113 -16.884 -10.364 -1.622 1.00 1.00 O ATOM 1151 CB TYR A 113 -15.550 -11.322 1.231 1.00 1.00 C ATOM 1152 CG TYR A 113 -16.058 -9.927 1.522 1.00 1.00 C ATOM 1153 CD1 TYR A 113 -17.413 -9.730 1.856 1.00 1.00 C ATOM 1154 CD2 TYR A 113 -15.165 -8.845 1.555 1.00 1.00 C ATOM 1155 CE1 TYR A 113 -17.867 -8.451 2.230 1.00 1.00 C ATOM 1156 CE2 TYR A 113 -15.608 -7.574 1.969 1.00 1.00 C ATOM 1157 CZ TYR A 113 -16.961 -7.377 2.310 1.00 1.00 C ATOM 1158 OH TYR A 113 -17.399 -6.151 2.702 1.00 1.00 O ATOM 1159 HH TYR A 113 -18.368 -6.196 2.901 1.00 0.00 H ATOM 1160 H TYR A 113 -14.334 -10.246 -1.177 1.00 0.00 H ATOM 1161 N ALA A 114 -17.830 -12.267 -0.891 1.00 1.00 N ATOM 1162 CA ALA A 114 -19.039 -12.155 -1.706 1.00 1.00 C ATOM 1163 C ALA A 114 -20.242 -12.906 -1.114 1.00 1.00 C ATOM 1164 O ALA A 114 -20.086 -13.821 -0.305 1.00 1.00 O ATOM 1165 CB ALA A 114 -18.706 -12.713 -3.098 1.00 1.00 C ATOM 1166 H ALA A 114 -17.757 -13.059 -0.221 1.00 0.00 H ATOM 1167 N SER A 115 -21.445 -12.542 -1.565 1.00 1.00 N ATOM 1168 CA SER A 115 -22.704 -13.265 -1.312 1.00 1.00 C ATOM 1169 C SER A 115 -22.841 -14.544 -2.159 1.00 1.00 C ATOM 1170 O SER A 115 -23.587 -15.452 -1.794 1.00 1.00 O ATOM 1171 CB SER A 115 -23.876 -12.315 -1.585 1.00 1.00 C ATOM 1172 OG SER A 115 -23.684 -11.662 -2.832 1.00 1.00 O ATOM 1173 HG SER A 115 -23.635 -12.338 -3.553 1.00 0.00 H ATOM 1174 H SER A 115 -21.498 -11.678 -2.142 1.00 0.00 H ATOM 1175 N GLN A 116 -22.089 -14.635 -3.264 1.00 1.00 N ATOM 1176 CA GLN A 116 -21.938 -15.792 -4.161 1.00 1.00 C ATOM 1177 C GLN A 116 -20.587 -15.692 -4.889 1.00 1.00 C ATOM 1178 O GLN A 116 -20.136 -14.584 -5.176 1.00 1.00 O ATOM 1179 CB GLN A 116 -23.116 -15.865 -5.156 1.00 1.00 C ATOM 1180 CG GLN A 116 -23.177 -14.788 -6.261 1.00 1.00 C ATOM 1181 CD GLN A 116 -23.364 -13.365 -5.739 1.00 1.00 C ATOM 1182 OE1 GLN A 116 -24.452 -12.953 -5.364 1.00 1.00 O ATOM 1183 NE2 GLN A 116 -22.295 -12.606 -5.590 1.00 1.00 N ATOM 1184 HE22 GLN A 116 -21.366 -12.949 -5.906 1.00 0.00 H ATOM 1185 HE21 GLN A 116 -22.382 -11.665 -5.156 1.00 0.00 H ATOM 1186 H GLN A 116 -21.546 -13.785 -3.519 1.00 0.00 H ATOM 1187 N GLU A 117 -19.938 -16.815 -5.207 1.00 1.00 N ATOM 1188 CA GLU A 117 -18.547 -16.827 -5.706 1.00 1.00 C ATOM 1189 C GLU A 117 -18.347 -16.073 -7.041 1.00 1.00 C ATOM 1190 O GLU A 117 -17.340 -15.379 -7.207 1.00 1.00 O ATOM 1191 CB GLU A 117 -18.065 -18.287 -5.791 1.00 1.00 C ATOM 1192 CG GLU A 117 -16.597 -18.431 -6.227 1.00 1.00 C ATOM 1193 CD GLU A 117 -16.019 -19.842 -5.968 1.00 1.00 C ATOM 1194 OE1 GLU A 117 -14.774 -19.961 -5.872 1.00 1.00 O ATOM 1195 OE2 GLU A 117 -16.781 -20.832 -5.853 1.00 1.00 O ATOM 1196 H GLU A 117 -20.434 -17.723 -5.099 1.00 0.00 H ATOM 1197 N THR A 118 -19.313 -16.166 -7.964 1.00 1.00 N ATOM 1198 CA THR A 118 -19.379 -15.398 -9.225 1.00 1.00 C ATOM 1199 C THR A 118 -20.792 -14.954 -9.615 1.00 1.00 C ATOM 1200 O THR A 118 -21.774 -15.618 -9.267 1.00 1.00 O ATOM 1201 CB THR A 118 -18.631 -16.034 -10.425 1.00 1.00 C ATOM 1202 OG1 THR A 118 -19.496 -16.887 -11.152 1.00 1.00 O ATOM 1203 CG2 THR A 118 -17.382 -16.853 -10.099 1.00 1.00 C ATOM 1204 HG1 THR A 118 -19.003 -17.284 -11.913 1.00 0.00 H ATOM 1205 H THR A 118 -20.085 -16.838 -7.777 1.00 0.00 H ATOM 1206 N PHE A 119 -20.907 -13.830 -10.330 1.00 1.00 N ATOM 1207 CA PHE A 119 -22.190 -13.288 -10.800 1.00 1.00 C ATOM 1208 C PHE A 119 -22.088 -12.558 -12.154 1.00 1.00 C ATOM 1209 O PHE A 119 -22.974 -12.701 -13.002 1.00 1.00 O ATOM 1210 CB PHE A 119 -22.770 -12.375 -9.708 1.00 1.00 C ATOM 1211 CG PHE A 119 -24.122 -11.777 -10.032 1.00 1.00 C ATOM 1212 CD1 PHE A 119 -24.227 -10.513 -10.646 1.00 1.00 C ATOM 1213 CD2 PHE A 119 -25.287 -12.496 -9.703 1.00 1.00 C ATOM 1214 CE1 PHE A 119 -25.494 -9.974 -10.932 1.00 1.00 C ATOM 1215 CE2 PHE A 119 -26.554 -11.955 -9.992 1.00 1.00 C ATOM 1216 CZ PHE A 119 -26.658 -10.693 -10.606 1.00 1.00 C ATOM 1217 H PHE A 119 -20.039 -13.309 -10.567 1.00 0.00 H ATOM 1218 N GLY A 120 -20.987 -11.825 -12.384 1.00 1.00 N ATOM 1219 CA GLY A 120 -20.671 -11.145 -13.649 1.00 1.00 C ATOM 1220 C GLY A 120 -19.349 -10.377 -13.602 1.00 1.00 C ATOM 1221 O GLY A 120 -19.376 -9.134 -13.744 1.00 1.00 O ATOM 1222 OXT GLY A 120 -18.293 -11.029 -13.437 1.00 1.00 O ATOM 1223 H GLY A 120 -20.303 -11.731 -11.606 1.00 0.00 H TER 1224 GLY A 120 HETATM 1225 N ASP A 1 -9.796 -0.566 21.049 1.00 0.24 N HETATM 1226 CA ASP A 1 -10.027 -0.853 19.604 1.00 0.08 C HETATM 1227 C ASP A 1 -9.060 -0.117 18.663 1.00 0.23 C HETATM 1228 O ASP A 1 -8.482 0.901 19.047 1.00 -0.39 O HETATM 1229 N ASP A 1 -8.872 -0.620 17.432 1.00 -0.26 N HETATM 1230 CA ASP A 1 -8.076 0.064 16.389 1.00 0.14 C HETATM 1231 C ASP A 1 -8.595 -0.432 15.022 1.00 0.21 C HETATM 1232 O ASP A 1 -8.995 0.380 14.191 1.00 -0.39 O HETATM 1233 N ASP A 1 -8.628 -1.758 14.798 1.00 -0.26 N HETATM 1234 CA ASP A 1 -8.983 -2.389 13.509 1.00 0.13 C HETATM 1235 C ASP A 1 -8.114 -1.825 12.345 1.00 0.20 C HETATM 1236 O ASP A 1 -6.909 -1.653 12.534 1.00 -0.39 O HETATM 1237 N ASP A 1 -8.641 -1.608 11.126 1.00 -0.26 N HETATM 1238 CA ASP A 1 -7.813 -1.270 9.945 1.00 0.15 C HETATM 1239 C ASP A 1 -7.475 0.222 9.770 1.00 0.21 C HETATM 1240 O ASP A 1 -8.345 1.031 9.440 1.00 -0.39 O HETATM 1241 N ASP A 1 -6.187 0.555 9.947 1.00 -0.26 N HETATM 1242 CA ASP A 1 -5.511 1.835 9.646 1.00 0.14 C HETATM 1243 C ASP A 1 -3.973 1.795 9.512 1.00 0.21 C HETATM 1244 O ASP A 1 -3.469 1.651 8.396 1.00 -0.39 O HETATM 1245 N ASP A 1 -3.203 1.903 10.600 1.00 -0.26 N HETATM 1246 CA ASP A 1 -1.741 2.096 10.536 1.00 0.14 C HETATM 1247 C ASP A 1 -0.824 1.546 11.659 1.00 0.21 C HETATM 1248 O ASP A 1 -1.216 1.395 12.817 1.00 -0.39 O HETATM 1249 N ASP A 1 0.439 1.294 11.283 1.00 -0.26 N HETATM 1250 CA ASP A 1 1.595 0.988 12.144 1.00 0.14 C HETATM 1251 C ASP A 1 1.462 -0.101 13.234 1.00 0.21 C HETATM 1252 O ASP A 1 1.667 -1.288 12.961 1.00 -0.39 O HETATM 1253 N ASP A 1 1.129 0.287 14.471 1.00 -0.26 N HETATM 1254 CA ASP A 1 1.102 -0.596 15.653 1.00 0.15 C HETATM 1255 C ASP A 1 -0.237 -1.357 15.803 1.00 0.21 C HETATM 1256 O ASP A 1 -0.493 -2.028 16.807 1.00 -0.39 O HETATM 1257 N ASP A 1 -1.119 -1.239 14.807 1.00 -0.26 N HETATM 1258 CA ASP A 1 -2.502 -1.705 14.832 1.00 0.14 C HETATM 1259 C ASP A 1 -2.827 -3.159 15.208 1.00 0.21 C HETATM 1260 O ASP A 1 -2.172 -4.100 14.764 1.00 -0.39 O HETATM 1261 N ASP A 1 -3.923 -3.357 15.950 1.00 -0.26 N HETATM 1262 CA ASP A 1 -4.510 -4.678 16.202 1.00 0.13 C HETATM 1263 C ASP A 1 -5.676 -4.879 15.219 1.00 0.20 C HETATM 1264 O ASP A 1 -6.840 -4.668 15.551 1.00 -0.39 O HETATM 1265 N ASP A 1 -5.365 -5.218 13.962 1.00 -0.26 N HETATM 1266 CA ASP A 1 -6.365 -5.221 12.872 1.00 0.13 C HETATM 1267 C ASP A 1 -7.487 -6.258 12.997 1.00 0.20 C HETATM 1268 O ASP A 1 -8.614 -5.978 12.605 1.00 -0.39 O HETATM 1269 N ASP A 1 -7.226 -7.429 13.588 1.00 -0.26 N HETATM 1270 CA ASP A 1 -8.287 -8.409 13.898 1.00 0.13 C HETATM 1271 C ASP A 1 -9.152 -7.964 15.107 1.00 0.20 C HETATM 1272 O ASP A 1 -10.174 -8.576 15.406 1.00 -0.39 O HETATM 1273 N ASP A 1 -8.736 -6.886 15.788 1.00 -0.26 N HETATM 1274 CA ASP A 1 -9.388 -6.233 16.924 1.00 0.14 C HETATM 1275 C ASP A 1 -9.826 -7.194 18.061 1.00 0.21 C HETATM 1276 O ASP A 1 -10.913 -7.081 18.631 1.00 -0.39 O HETATM 1277 N ASP A 1 -8.964 -8.178 18.361 1.00 -0.26 N HETATM 1278 CA ASP A 1 -9.133 -9.180 19.424 1.00 0.13 C HETATM 1279 C ASP A 1 -7.781 -9.574 20.043 1.00 0.20 C HETATM 1280 O ASP A 1 -6.747 -9.554 19.370 1.00 -0.39 O HETATM 1281 N ASP A 1 -7.796 -9.948 21.323 1.00 -0.26 N HETATM 1282 CA ASP A 1 -6.632 -10.490 22.051 1.00 0.16 C HETATM 1283 C ASP A 1 -6.677 -12.012 21.850 1.00 0.21 C HETATM 1284 O ASP A 1 -7.601 -12.694 22.302 1.00 -0.39 O HETATM 1285 N ASP A 1 -5.674 -12.551 21.159 1.00 -0.26 N HETATM 1286 CA ASP A 1 -5.488 -13.989 20.944 1.00 0.13 C HETATM 1287 C ASP A 1 -5.053 -14.741 22.222 1.00 0.20 C HETATM 1288 O ASP A 1 -4.503 -14.150 23.159 1.00 -0.39 O HETATM 1289 N ASP A 1 -5.269 -16.065 22.219 1.00 -0.27 N HETATM 1290 CA ASP A 1 -4.912 -17.017 23.285 1.00 0.10 C HETATM 1291 C ASP A 1 -4.087 -18.247 22.863 1.00 0.06 C HETATM 1292 O ASP A 1 -3.233 -18.703 23.658 1.00 -0.57 O HETATM 1293 OXT ASP A 1 -4.286 -18.736 21.727 1.00 -0.57 O HETATM 1294 CB ASP A 1 -6.120 -17.345 24.176 1.00 0.01 C HETATM 1295 CG ASP A 1 -6.494 -16.253 25.163 1.00 -0.05 C HETATM 1296 CD1 ASP A 1 -7.533 -15.351 24.860 1.00 -0.07 C HETATM 1297 CE1 ASP A 1 -7.878 -14.338 25.775 1.00 -0.04 C HETATM 1298 CZ ASP A 1 -7.185 -14.223 26.998 1.00 0.08 C HETATM 1299 CE2 ASP A 1 -6.145 -15.129 27.307 1.00 -0.04 C HETATM 1300 CD2 ASP A 1 -5.801 -16.141 26.388 1.00 -0.07 C HETATM 1301 H112 ASP A 1 -5.002 -16.835 26.622 1.00 0.05 H HETATM 1302 H114 ASP A 1 -5.613 -15.046 28.248 1.00 0.05 H HETATM 1303 OH ASP A 1 -7.531 -13.242 27.880 1.00 -0.34 O HETATM 1304 H115 ASP A 1 -8.242 -12.727 27.517 1.00 0.25 H HETATM 1305 H113 ASP A 1 -8.678 -13.645 25.539 1.00 0.05 H HETATM 1306 H111 ASP A 1 -8.068 -15.437 23.921 1.00 0.05 H HETATM 1307 H109 ASP A 1 -5.888 -18.257 24.745 1.00 0.04 H HETATM 1308 H110 ASP A 1 -6.987 -17.530 23.524 1.00 0.04 H HETATM 1309 H108 ASP A 1 -4.228 -16.453 23.936 1.00 0.07 H HETATM 1310 H107 ASP A 1 -5.718 -16.445 21.410 1.00 0.19 H HETATM 1311 CB ASP A 1 -4.495 -14.222 19.787 1.00 -0.00 C HETATM 1312 CG ASP A 1 -3.016 -13.897 20.074 1.00 0.00 C HETATM 1313 CD ASP A 1 -2.674 -12.394 20.192 1.00 0.04 C HETATM 1314 OE1 ASP A 1 -3.479 -11.536 19.750 1.00 -0.57 O HETATM 1315 OE2 ASP A 1 -1.568 -12.068 20.684 1.00 -0.57 O HETATM 1316 H105 ASP A 1 -2.412 -14.319 19.257 1.00 0.04 H HETATM 1317 H106 ASP A 1 -2.740 -14.382 21.022 1.00 0.04 H HETATM 1318 H103 ASP A 1 -4.816 -13.598 18.940 1.00 0.03 H HETATM 1319 H104 ASP A 1 -4.555 -15.283 19.504 1.00 0.03 H HETATM 1320 H102 ASP A 1 -6.460 -14.404 20.640 1.00 0.08 H HETATM 1321 H101 ASP A 1 -5.000 -11.931 20.758 1.00 0.19 H HETATM 1322 CB ASP A 1 -6.742 -10.193 23.562 1.00 0.09 C HETATM 1323 OG1 ASP A 1 -8.079 -10.218 24.034 1.00 -0.39 O HETATM 1324 H97 ASP A 1 -8.452 -11.078 23.880 1.00 0.21 H HETATM 1325 CG2 ASP A 1 -6.205 -8.792 23.857 1.00 -0.03 C HETATM 1326 H98 ASP A 1 -6.287 -8.588 24.935 1.00 0.03 H HETATM 1327 H99 ASP A 1 -6.792 -8.049 23.297 1.00 0.03 H HETATM 1328 H100 ASP A 1 -5.150 -8.732 23.551 1.00 0.03 H HETATM 1329 H96 ASP A 1 -6.151 -10.942 24.110 1.00 0.06 H HETATM 1330 H95 ASP A 1 -5.698 -10.068 21.652 1.00 0.08 H HETATM 1331 H94 ASP A 1 -8.656 -9.855 21.825 1.00 0.19 H HETATM 1332 CB ASP A 1 -9.942 -10.393 18.906 1.00 -0.01 C HETATM 1333 CG ASP A 1 -9.270 -11.338 17.877 1.00 -0.04 C HETATM 1334 CD1 ASP A 1 -8.394 -12.433 18.500 1.00 -0.06 C HETATM 1335 H88 ASP A 1 -7.960 -13.053 17.702 1.00 0.02 H HETATM 1336 H89 ASP A 1 -9.008 -13.063 19.160 1.00 0.02 H HETATM 1337 H90 ASP A 1 -7.586 -11.968 19.084 1.00 0.02 H HETATM 1338 CD2 ASP A 1 -10.359 -12.078 17.095 1.00 -0.06 C HETATM 1339 H91 ASP A 1 -11.029 -11.347 16.618 1.00 0.02 H HETATM 1340 H92 ASP A 1 -10.938 -12.712 17.783 1.00 0.02 H HETATM 1341 H93 ASP A 1 -9.893 -12.707 16.322 1.00 0.02 H HETATM 1342 H87 ASP A 1 -8.657 -10.731 17.194 1.00 0.03 H HETATM 1343 H85 ASP A 1 -10.856 -9.999 18.438 1.00 0.03 H HETATM 1344 H86 ASP A 1 -10.211 -11.003 19.781 1.00 0.03 H HETATM 1345 H84 ASP A 1 -9.727 -8.714 20.224 1.00 0.08 H HETATM 1346 H83 ASP A 1 -8.130 -8.235 17.811 1.00 0.19 H HETATM 1347 CB ASP A 1 -10.423 -5.207 16.429 1.00 0.04 C HETATM 1348 CG ASP A 1 -11.100 -4.426 17.564 1.00 0.04 C HETATM 1349 OD1 ASP A 1 -10.373 -3.897 18.438 1.00 -0.57 O HETATM 1350 OD2 ASP A 1 -12.345 -4.280 17.524 1.00 -0.57 O HETATM 1351 H81 ASP A 1 -11.200 -5.741 15.862 1.00 0.05 H HETATM 1352 H82 ASP A 1 -9.914 -4.490 15.768 1.00 0.05 H HETATM 1353 H80 ASP A 1 -8.600 -5.623 17.391 1.00 0.08 H HETATM 1354 H79 ASP A 1 -7.875 -6.479 15.482 1.00 0.19 H HETATM 1355 CB ASP A 1 -7.623 -9.790 14.097 1.00 -0.01 C HETATM 1356 CG ASP A 1 -8.556 -11.011 13.952 1.00 -0.04 C HETATM 1357 CD1 ASP A 1 -9.017 -11.225 12.506 1.00 -0.06 C HETATM 1358 H73 ASP A 1 -9.677 -12.104 12.458 1.00 0.02 H HETATM 1359 H74 ASP A 1 -8.140 -11.389 11.862 1.00 0.02 H HETATM 1360 H75 ASP A 1 -9.565 -10.336 12.160 1.00 0.02 H HETATM 1361 CD2 ASP A 1 -7.803 -12.276 14.368 1.00 -0.06 C HETATM 1362 H76 ASP A 1 -7.451 -12.169 15.405 1.00 0.02 H HETATM 1363 H77 ASP A 1 -6.941 -12.425 13.701 1.00 0.02 H HETATM 1364 H78 ASP A 1 -8.476 -13.143 14.297 1.00 0.02 H HETATM 1365 H72 ASP A 1 -9.435 -10.867 14.598 1.00 0.03 H HETATM 1366 H70 ASP A 1 -7.191 -9.814 15.108 1.00 0.03 H HETATM 1367 H71 ASP A 1 -6.820 -9.889 13.352 1.00 0.03 H HETATM 1368 H69 ASP A 1 -8.956 -8.478 13.028 1.00 0.08 H HETATM 1369 H68 ASP A 1 -6.280 -7.649 13.828 1.00 0.19 H HETATM 1370 CB ASP A 1 -5.731 -5.246 11.471 1.00 -0.01 C HETATM 1371 CG1 ASP A 1 -6.747 -4.843 10.403 1.00 -0.06 C HETATM 1372 H62 ASP A 1 -6.268 -4.869 9.413 1.00 0.02 H HETATM 1373 H63 ASP A 1 -7.110 -3.825 10.608 1.00 0.02 H HETATM 1374 H64 ASP A 1 -7.594 -5.545 10.419 1.00 0.02 H HETATM 1375 CG2 ASP A 1 -4.553 -4.279 11.347 1.00 -0.06 C HETATM 1376 H65 ASP A 1 -3.791 -4.531 12.100 1.00 0.02 H HETATM 1377 H66 ASP A 1 -4.905 -3.250 11.511 1.00 0.02 H HETATM 1378 H67 ASP A 1 -4.115 -4.361 10.341 1.00 0.02 H HETATM 1379 H61 ASP A 1 -5.379 -6.269 11.271 1.00 0.03 H HETATM 1380 H60 ASP A 1 -6.868 -4.246 12.951 1.00 0.08 H HETATM 1381 H59 ASP A 1 -4.423 -5.479 13.752 1.00 0.19 H HETATM 1382 CB ASP A 1 -4.906 -4.824 17.683 1.00 -0.00 C HETATM 1383 CG ASP A 1 -5.487 -6.204 18.033 1.00 0.00 C HETATM 1384 CD ASP A 1 -4.693 -7.351 17.390 1.00 0.04 C HETATM 1385 OE1 ASP A 1 -5.232 -8.033 16.489 1.00 -0.57 O HETATM 1386 OE2 ASP A 1 -3.505 -7.537 17.739 1.00 -0.57 O HETATM 1387 H57 ASP A 1 -6.527 -6.251 17.677 1.00 0.04 H HETATM 1388 H58 ASP A 1 -5.467 -6.329 19.126 1.00 0.04 H HETATM 1389 H55 ASP A 1 -5.661 -4.059 17.918 1.00 0.03 H HETATM 1390 H56 ASP A 1 -4.011 -4.657 18.300 1.00 0.03 H HETATM 1391 H54 ASP A 1 -3.751 -5.445 15.988 1.00 0.08 H HETATM 1392 H53 ASP A 1 -4.368 -2.559 16.356 1.00 0.19 H HETATM 1393 CB ASP A 1 -3.230 -1.347 13.531 1.00 0.02 C HETATM 1394 CG ASP A 1 -2.594 -1.668 12.181 1.00 -0.05 C HETATM 1395 CD1 ASP A 1 -1.459 -2.493 12.009 1.00 -0.07 C HETATM 1396 CE1 ASP A 1 -0.996 -2.809 10.714 1.00 -0.04 C HETATM 1397 CZ ASP A 1 -1.681 -2.327 9.580 1.00 0.08 C HETATM 1398 CE2 ASP A 1 -2.817 -1.510 9.747 1.00 -0.04 C HETATM 1399 CD2 ASP A 1 -3.261 -1.186 11.045 1.00 -0.07 C HETATM 1400 H49 ASP A 1 -4.133 -0.553 11.167 1.00 0.05 H HETATM 1401 H51 ASP A 1 -3.347 -1.132 8.880 1.00 0.05 H HETATM 1402 OH ASP A 1 -1.283 -2.684 8.327 1.00 -0.34 O HETATM 1403 H52 ASP A 1 -1.083 -1.903 7.825 1.00 0.25 H HETATM 1404 H50 ASP A 1 -0.112 -3.424 10.591 1.00 0.05 H HETATM 1405 H48 ASP A 1 -0.941 -2.885 12.877 1.00 0.05 H HETATM 1406 H46 ASP A 1 -3.398 -0.260 13.551 1.00 0.05 H HETATM 1407 H47 ASP A 1 -4.198 -1.868 13.556 1.00 0.05 H HETATM 1408 H45 ASP A 1 -2.973 -1.105 15.625 1.00 0.08 H HETATM 1409 H44 ASP A 1 -0.804 -0.792 13.970 1.00 0.19 H HETATM 1410 CB ASP A 1 1.432 0.246 16.897 1.00 0.08 C HETATM 1411 OG ASP A 1 1.802 -0.563 18.005 1.00 -0.39 O HETATM 1412 H43 ASP A 1 1.085 -1.147 18.223 1.00 0.21 H HETATM 1413 H41 ASP A 1 0.546 0.838 17.170 1.00 0.06 H HETATM 1414 H42 ASP A 1 2.266 0.922 16.657 1.00 0.06 H HETATM 1415 H40 ASP A 1 1.894 -1.350 15.531 1.00 0.08 H HETATM 1416 H39 ASP A 1 0.880 1.246 14.604 1.00 0.19 H HETATM 1417 CB ASP A 1 2.300 2.295 12.566 1.00 0.04 C HETATM 1418 CG ASP A 1 3.386 2.129 13.641 1.00 0.04 C HETATM 1419 OD1 ASP A 1 4.215 1.194 13.537 1.00 -0.57 O HETATM 1420 OD2 ASP A 1 3.433 2.961 14.577 1.00 -0.57 O HETATM 1421 H37 ASP A 1 1.536 2.984 12.956 1.00 0.05 H HETATM 1422 H38 ASP A 1 2.768 2.734 11.673 1.00 0.05 H HETATM 1423 H36 ASP A 1 2.307 0.523 11.446 1.00 0.08 H HETATM 1424 H35 ASP A 1 0.618 1.317 10.299 1.00 0.19 H HETATM 1425 CB ASP A 1 -1.420 3.585 10.275 1.00 0.04 C HETATM 1426 CG ASP A 1 -2.175 4.605 11.157 1.00 0.04 C HETATM 1427 OD1 ASP A 1 -2.209 5.795 10.759 1.00 -0.57 O HETATM 1428 OD2 ASP A 1 -2.704 4.262 12.243 1.00 -0.57 O HETATM 1429 H33 ASP A 1 -1.664 3.803 9.225 1.00 0.05 H HETATM 1430 H34 ASP A 1 -0.342 3.731 10.439 1.00 0.05 H HETATM 1431 H32 ASP A 1 -1.431 1.546 9.635 1.00 0.08 H HETATM 1432 H31 ASP A 1 -3.638 1.851 11.499 1.00 0.19 H HETATM 1433 CB ASP A 1 -6.018 3.024 10.486 1.00 0.04 C HETATM 1434 CG ASP A 1 -7.240 3.717 9.859 1.00 0.04 C HETATM 1435 OD1 ASP A 1 -8.222 4.019 10.582 1.00 -0.57 O HETATM 1436 OD2 ASP A 1 -7.224 3.993 8.634 1.00 -0.57 O HETATM 1437 H29 ASP A 1 -5.206 3.760 10.580 1.00 0.05 H HETATM 1438 H30 ASP A 1 -6.296 2.656 11.485 1.00 0.05 H HETATM 1439 H28 ASP A 1 -5.851 2.067 8.626 1.00 0.08 H HETATM 1440 H27 ASP A 1 -5.605 -0.160 10.335 1.00 0.19 H HETATM 1441 CB ASP A 1 -8.430 -1.842 8.666 1.00 0.08 C HETATM 1442 OG ASP A 1 -7.602 -1.505 7.571 1.00 -0.39 O HETATM 1443 H26 ASP A 1 -7.977 -1.856 6.772 1.00 0.21 H HETATM 1444 H24 ASP A 1 -9.433 -1.415 8.516 1.00 0.06 H HETATM 1445 H25 ASP A 1 -8.506 -2.936 8.749 1.00 0.06 H HETATM 1446 H23 ASP A 1 -6.851 -1.782 10.093 1.00 0.08 H HETATM 1447 H22 ASP A 1 -9.632 -1.678 11.013 1.00 0.19 H HETATM 1448 CB ASP A 1 -10.519 -2.364 13.330 1.00 -0.00 C HETATM 1449 CG ASP A 1 -11.024 -3.626 12.615 1.00 0.00 C HETATM 1450 CD ASP A 1 -12.545 -3.594 12.405 1.00 0.04 C HETATM 1451 OE1 ASP A 1 -13.041 -2.659 11.737 1.00 -0.57 O HETATM 1452 OE2 ASP A 1 -13.263 -4.512 12.869 1.00 -0.57 O HETATM 1453 H20 ASP A 1 -10.767 -4.506 13.223 1.00 0.04 H HETATM 1454 H21 ASP A 1 -10.531 -3.701 11.634 1.00 0.04 H HETATM 1455 H18 ASP A 1 -10.795 -1.481 12.734 1.00 0.03 H HETATM 1456 H19 ASP A 1 -10.993 -2.301 14.320 1.00 0.03 H HETATM 1457 H17 ASP A 1 -8.710 -3.452 13.587 1.00 0.08 H HETATM 1458 H16 ASP A 1 -8.395 -2.362 15.560 1.00 0.19 H HETATM 1459 CB ASP A 1 -6.586 -0.312 16.556 1.00 0.02 C HETATM 1460 CG ASP A 1 -5.615 0.751 16.065 1.00 -0.05 C HETATM 1461 CD1 ASP A 1 -4.828 1.451 17.003 1.00 -0.07 C HETATM 1462 CE1 ASP A 1 -3.937 2.453 16.578 1.00 -0.04 C HETATM 1463 CZ ASP A 1 -3.826 2.771 15.207 1.00 0.08 C HETATM 1464 CE2 ASP A 1 -4.616 2.074 14.266 1.00 -0.04 C HETATM 1465 CD2 ASP A 1 -5.500 1.058 14.693 1.00 -0.07 C HETATM 1466 H12 ASP A 1 -6.091 0.514 13.965 1.00 0.05 H HETATM 1467 H14 ASP A 1 -4.544 2.320 13.213 1.00 0.05 H HETATM 1468 OH ASP A 1 -2.971 3.752 14.814 1.00 -0.34 O HETATM 1469 H15 ASP A 1 -2.331 3.390 14.212 1.00 0.25 H HETATM 1470 H13 ASP A 1 -3.333 2.983 17.306 1.00 0.05 H HETATM 1471 H11 ASP A 1 -4.910 1.215 18.058 1.00 0.05 H HETATM 1472 H9 ASP A 1 -6.399 -1.237 15.992 1.00 0.05 H HETATM 1473 H10 ASP A 1 -6.393 -0.489 17.624 1.00 0.05 H HETATM 1474 H8 ASP A 1 -8.197 1.155 16.469 1.00 0.08 H HETATM 1475 H7 ASP A 1 -9.291 -1.500 17.209 1.00 0.19 H HETATM 1476 CB ASP A 1 -11.505 -0.691 19.158 1.00 0.06 C HETATM 1477 CG ASP A 1 -12.218 0.604 19.613 1.00 0.04 C HETATM 1478 OD1 ASP A 1 -11.616 1.426 20.345 1.00 -0.57 O HETATM 1479 OD2 ASP A 1 -13.399 0.794 19.238 1.00 -0.57 O HETATM 1480 H5 ASP A 1 -12.072 -1.544 19.558 1.00 0.05 H HETATM 1481 H6 ASP A 1 -11.529 -0.719 18.059 1.00 0.05 H HETATM 1482 H4 ASP A 1 -9.799 -1.922 19.483 1.00 0.11 H HETATM 1483 H1 ASP A 1 -10.462 -1.079 21.604 1.00 0.20 H HETATM 1484 H2 ASP A 1 -9.908 0.421 21.218 1.00 0.20 H HETATM 1485 H3 ASP A 1 -8.861 -0.846 21.302 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1225 1226 1483 1484 1485 CONECT 1226 1225 1227 1476 1482 CONECT 1227 1226 1228 1229 CONECT 1228 1227 CONECT 1229 1227 1230 1475 CONECT 1230 1229 1231 1459 1474 CONECT 1231 1230 1232 1233 CONECT 1232 1231 CONECT 1233 1231 1234 1458 CONECT 1234 1233 1235 1448 1457 CONECT 1235 1234 1236 1237 CONECT 1236 1235 CONECT 1237 1235 1238 1447 CONECT 1238 1237 1239 1441 1446 CONECT 1239 1238 1240 1241 CONECT 1240 1239 CONECT 1241 1239 1242 1440 CONECT 1242 1241 1243 1433 1439 CONECT 1243 1242 1244 1245 CONECT 1244 1243 CONECT 1245 1243 1246 1432 CONECT 1246 1245 1247 1425 1431 CONECT 1247 1246 1248 1249 CONECT 1248 1247 CONECT 1249 1247 1250 1424 CONECT 1250 1249 1251 1417 1423 CONECT 1251 1250 1252 1253 CONECT 1252 1251 CONECT 1253 1251 1254 1416 CONECT 1254 1253 1255 1410 1415 CONECT 1255 1254 1256 1257 CONECT 1256 1255 CONECT 1257 1255 1258 1409 CONECT 1258 1257 1259 1393 1408 CONECT 1259 1258 1260 1261 CONECT 1260 1259 CONECT 1261 1259 1262 1392 CONECT 1262 1261 1263 1382 1391 CONECT 1263 1262 1264 1265 CONECT 1264 1263 CONECT 1265 1263 1266 1381 CONECT 1266 1265 1267 1370 1380 CONECT 1267 1266 1268 1269 CONECT 1268 1267 CONECT 1269 1267 1270 1369 CONECT 1270 1269 1271 1355 1368 CONECT 1271 1270 1272 1273 CONECT 1272 1271 CONECT 1273 1271 1274 1354 CONECT 1274 1273 1275 1347 1353 CONECT 1275 1274 1276 1277 CONECT 1276 1275 CONECT 1277 1275 1278 1346 CONECT 1278 1277 1279 1332 1345 CONECT 1279 1278 1280 1281 CONECT 1280 1279 CONECT 1281 1279 1282 1331 CONECT 1282 1281 1283 1322 1330 CONECT 1283 1282 1284 1285 CONECT 1284 1283 CONECT 1285 1283 1286 1321 CONECT 1286 1285 1287 1311 1320 CONECT 1287 1286 1288 1289 CONECT 1288 1287 CONECT 1289 1287 1290 1310 CONECT 1290 1289 1291 1294 1309 CONECT 1291 1290 1292 1293 CONECT 1292 1291 CONECT 1293 1291 CONECT 1294 1290 1295 1307 1308 CONECT 1295 1294 1296 1300 CONECT 1296 1295 1297 1306 CONECT 1297 1296 1298 1305 CONECT 1298 1297 1299 1303 CONECT 1299 1298 1300 1302 CONECT 1300 1295 1299 1301 CONECT 1301 1300 CONECT 1302 1299 CONECT 1303 1298 1304 CONECT 1304 1303 CONECT 1305 1297 CONECT 1306 1296 CONECT 1307 1294 CONECT 1308 1294 CONECT 1309 1290 CONECT 1310 1289 CONECT 1311 1286 1312 1318 1319 CONECT 1312 1311 1313 1316 1317 CONECT 1313 1312 1314 1315 CONECT 1314 1313 CONECT 1315 1313 CONECT 1316 1312 CONECT 1317 1312 CONECT 1318 1311 CONECT 1319 1311 CONECT 1320 1286 CONECT 1321 1285 CONECT 1322 1282 1323 1325 1329 CONECT 1323 1322 1324 CONECT 1324 1323 CONECT 1325 1322 1326 1327 1328 CONECT 1326 1325 CONECT 1327 1325 CONECT 1328 1325 CONECT 1329 1322 CONECT 1330 1282 CONECT 1331 1281 CONECT 1332 1278 1333 1343 1344 CONECT 1333 1332 1334 1338 1342 CONECT 1334 1333 1335 1336 1337 CONECT 1335 1334 CONECT 1336 1334 CONECT 1337 1334 CONECT 1338 1333 1339 1340 1341 CONECT 1339 1338 CONECT 1340 1338 CONECT 1341 1338 CONECT 1342 1333 CONECT 1343 1332 CONECT 1344 1332 CONECT 1345 1278 CONECT 1346 1277 CONECT 1347 1274 1348 1351 1352 CONECT 1348 1347 1349 1350 CONECT 1349 1348 CONECT 1350 1348 CONECT 1351 1347 CONECT 1352 1347 CONECT 1353 1274 CONECT 1354 1273 CONECT 1355 1270 1356 1366 1367 CONECT 1356 1355 1357 1361 1365 CONECT 1357 1356 1358 1359 1360 CONECT 1358 1357 CONECT 1359 1357 CONECT 1360 1357 CONECT 1361 1356 1362 1363 1364 CONECT 1362 1361 CONECT 1363 1361 CONECT 1364 1361 CONECT 1365 1356 CONECT 1366 1355 CONECT 1367 1355 CONECT 1368 1270 CONECT 1369 1269 CONECT 1370 1266 1371 1375 1379 CONECT 1371 1370 1372 1373 1374 CONECT 1372 1371 CONECT 1373 1371 CONECT 1374 1371 CONECT 1375 1370 1376 1377 1378 CONECT 1376 1375 CONECT 1377 1375 CONECT 1378 1375 CONECT 1379 1370 CONECT 1380 1266 CONECT 1381 1265 CONECT 1382 1262 1383 1389 1390 CONECT 1383 1382 1384 1387 1388 CONECT 1384 1383 1385 1386 CONECT 1385 1384 CONECT 1386 1384 CONECT 1387 1383 CONECT 1388 1383 CONECT 1389 1382 CONECT 1390 1382 CONECT 1391 1262 CONECT 1392 1261 CONECT 1393 1258 1394 1406 1407 CONECT 1394 1393 1395 1399 CONECT 1395 1394 1396 1405 CONECT 1396 1395 1397 1404 CONECT 1397 1396 1398 1402 CONECT 1398 1397 1399 1401 CONECT 1399 1394 1398 1400 CONECT 1400 1399 CONECT 1401 1398 CONECT 1402 1397 1403 CONECT 1403 1402 CONECT 1404 1396 CONECT 1405 1395 CONECT 1406 1393 CONECT 1407 1393 CONECT 1408 1258 CONECT 1409 1257 CONECT 1410 1254 1411 1413 1414 CONECT 1411 1410 1412 CONECT 1412 1411 CONECT 1413 1410 CONECT 1414 1410 CONECT 1415 1254 CONECT 1416 1253 CONECT 1417 1250 1418 1421 1422 CONECT 1418 1417 1419 1420 CONECT 1419 1418 CONECT 1420 1418 CONECT 1421 1417 CONECT 1422 1417 CONECT 1423 1250 CONECT 1424 1249 CONECT 1425 1246 1426 1429 1430 CONECT 1426 1425 1427 1428 CONECT 1427 1426 CONECT 1428 1426 CONECT 1429 1425 CONECT 1430 1425 CONECT 1431 1246 CONECT 1432 1245 CONECT 1433 1242 1434 1437 1438 CONECT 1434 1433 1435 1436 CONECT 1435 1434 CONECT 1436 1434 CONECT 1437 1433 CONECT 1438 1433 CONECT 1439 1242 CONECT 1440 1241 CONECT 1441 1238 1442 1444 1445 CONECT 1442 1441 1443 CONECT 1443 1442 CONECT 1444 1441 CONECT 1445 1441 CONECT 1446 1238 CONECT 1447 1237 CONECT 1448 1234 1449 1455 1456 CONECT 1449 1448 1450 1453 1454 CONECT 1450 1449 1451 1452 CONECT 1451 1450 CONECT 1452 1450 CONECT 1453 1449 CONECT 1454 1449 CONECT 1455 1448 CONECT 1456 1448 CONECT 1457 1234 CONECT 1458 1233 CONECT 1459 1230 1460 1472 1473 CONECT 1460 1459 1461 1465 CONECT 1461 1460 1462 1471 CONECT 1462 1461 1463 1470 CONECT 1463 1462 1464 1468 CONECT 1464 1463 1465 1467 CONECT 1465 1460 1464 1466 CONECT 1466 1465 CONECT 1467 1464 CONECT 1468 1463 1469 CONECT 1469 1468 CONECT 1470 1462 CONECT 1471 1461 CONECT 1472 1459 CONECT 1473 1459 CONECT 1474 1230 CONECT 1475 1229 CONECT 1476 1226 1477 1480 1481 CONECT 1477 1476 1478 1479 CONECT 1478 1477 CONECT 1479 1477 CONECT 1480 1476 CONECT 1481 1476 CONECT 1482 1226 CONECT 1483 1225 CONECT 1484 1225 CONECT 1485 1225 MASTER 0 0 0 0 0 0 0 0 1484 1 265 10 END
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Entry Information
PDB ID
2n9x
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Microtubule-associated proteins 1A/1B light chain 3B
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=0.4uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Autophagy Vol. 12: pp. 2363-2373
Ligand Properties
Formula
C
8
9
H
1
2
4
N
1
7
O
4
0
Molecular Weight
2072.030
Exact Mass
2070.820
No. of atoms
270
No. of bonds
272
Polar Surface Area
950.32
LOGP Value
4.08 (
Computed with XLOGP3
)
-3.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 23
No. of Hydrogen Bond Acceptors: 40
No. of Rotatable Bonds: 79
No. of Nitrogen and Oxygen Atoms: 57
No. of Rings: 3
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCC(=O)O)[C@H](O)C)CC(C)C)CC(=O)O)CC(C)C)C(C)C)CCC(=O)O)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])Cc1ccc(cc1)O)CCC(=O)O)CO)CC(=O)O)CC(=O)O)CC(=O)O
InChI String
InChI=1S/C89H123N17O40/c1-38(2)26-52(77(133)97-56(32-67(121)122)80(136)95-53(27-39(3)4)84(140)106-72(41(7)109)88(144)93-50(21-24-64(115)116)74(130)102-60(89(145)146)30-44-12-18-47(112)19-13-44)101-87(143)71(40(5)6)105-76(132)51(22-25-65(117)118)92-79(135)55(29-43-10-16-46(111)17-11-43)96-85(141)62(37-108)104-83(139)59(35-70(127)128)99-81(137)57(33-68(123)124)98-82(138)58(34-69(125)126)100-86(142)61(36-107)103-75(131)49(20-23-63(113)114)91-78(134)54(28-42-8-14-45(110)15-9-42)94-73(129)48(90)31-66(119)120/h8-19,38-41,48-62,71-72,107-112H,20-37,90H2,1-7H3,(H,91,134)(H,92,135)(H,93,144)(H,94,129)(H,95,136)(H,96,141)(H,97,133)(H,98,138)(H,99,137)(H,100,142)(H,101,143)(H,102,130)(H,103,131)(H,104,139)(H,105,132)(H,106,140)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,145,146)/p+1/t41-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,71+,72+/m1/s1
Links to External Databases
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
Q8IVP5
Q9GZQ8
Entrez Gene ID
NCBI Entrez Gene ID:
139341
81631
ASD
Information of known allosteric effects of PDB entries
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