Browse entries in the PDBbind-CN Database
HEADER 6T1N_COMPLEX COMPND 6T1N_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 141 GLN CYS THR VAL GLN VAL ARG LEU GLU LEU GLY HIS ARG SEQRES 2 A 141 ALA GLN LEU ARG LYS LYS PRO THR THR GLU GLY PHE THR SEQRES 3 A 141 HIS ASP TRP MET VAL PHE VAL ARG GLY PRO GLU GLN CYS SEQRES 4 A 141 ASP ILE GLN HIS PHE VAL GLU LYS VAL VAL PHE TRP LEU SEQRES 5 A 141 HIS ASP SER PHE PRO LYS PRO ARG ARG VAL CYS LYS GLU SEQRES 6 A 141 PRO PRO TYR LYS VAL GLU GLU SER GLY TYR ALA GLY PHE SEQRES 7 A 141 ILE MET PRO ILE GLU VAL HIS PHE LYS ASN LYS GLU GLU SEQRES 8 A 141 PRO ARG LYS VAL CYS PHE THR TYR ASP LEU PHE LEU ASN SEQRES 9 A 141 LEU GLU GLY ASN PRO PRO VAL ASN HIS LEU ARG CYS GLU SEQRES 10 A 141 LYS LEU THR PHE ASN ASN PRO THR THR GLU PHE ARG TYR SEQRES 11 A 141 LYS LEU LEU ARG ALA GLY GLY VAL MET VAL MET HET M A 7Z 48 ATOM 1 N GLN A 4 11.843 -30.947 11.867 1.00 66.10 N ATOM 2 CA GLN A 4 12.064 -29.974 10.763 1.00 66.50 C ATOM 3 C GLN A 4 10.715 -29.550 10.183 1.00 62.44 C ATOM 4 O GLN A 4 10.115 -30.359 9.485 1.00 57.64 O ATOM 5 CB GLN A 4 12.911 -30.589 9.640 1.00 72.87 C ATOM 6 CG GLN A 4 14.362 -30.825 10.014 1.00 75.37 C ATOM 7 CD GLN A 4 14.968 -29.620 10.684 1.00 79.04 C ATOM 8 OE1 GLN A 4 14.824 -28.485 10.220 1.00 81.17 O ATOM 9 NE2 GLN A 4 15.628 -29.856 11.804 1.00 78.84 N ATOM 10 HE22 GLN A 4 15.723 -30.830 12.156 1.00 0.00 H ATOM 11 HE21 GLN A 4 16.052 -29.068 12.333 1.00 0.00 H ATOM 12 HN3 GLN A 4 11.345 -31.782 11.497 1.00 0.00 H ATOM 13 HN2 GLN A 4 11.269 -30.501 12.611 1.00 0.00 H ATOM 14 HN1 GLN A 4 12.761 -31.236 12.262 1.00 0.00 H ATOM 15 N CYS A 5 10.320 -28.291 10.364 1.00 58.36 N ATOM 16 CA CYS A 5 9.239 -27.668 9.562 1.00 58.98 C ATOM 17 C CYS A 5 9.281 -26.144 9.650 1.00 55.90 C ATOM 18 O CYS A 5 9.978 -25.593 10.532 1.00 56.65 O ATOM 19 CB CYS A 5 7.864 -28.184 9.968 1.00 59.67 C ATOM 20 SG CYS A 5 7.216 -27.431 11.474 1.00 60.62 S ATOM 21 H CYS A 5 10.789 -27.722 11.097 1.00 0.00 H ATOM 22 N THR A 6 8.651 -25.515 8.674 1.00 50.27 N ATOM 23 CA THR A 6 8.414 -24.070 8.585 1.00 49.75 C ATOM 24 C THR A 6 6.902 -23.859 8.585 1.00 44.76 C ATOM 25 O THR A 6 6.200 -24.683 7.992 1.00 39.94 O ATOM 26 CB THR A 6 9.132 -23.507 7.351 1.00 52.41 C ATOM 27 OG1 THR A 6 10.527 -23.529 7.637 1.00 57.52 O ATOM 28 CG2 THR A 6 8.729 -22.101 7.002 1.00 55.99 C ATOM 29 HG1 THR A 6 10.708 -22.970 8.434 1.00 0.00 H ATOM 30 H THR A 6 8.288 -26.100 7.894 1.00 0.00 H ATOM 31 N VAL A 7 6.423 -22.875 9.327 1.00 39.85 N ATOM 32 CA VAL A 7 5.007 -22.448 9.282 1.00 41.79 C ATOM 33 C VAL A 7 4.964 -20.996 8.843 1.00 41.16 C ATOM 34 O VAL A 7 5.661 -20.158 9.468 1.00 40.19 O ATOM 35 CB VAL A 7 4.288 -22.665 10.619 1.00 40.37 C ATOM 36 CG1 VAL A 7 2.867 -22.137 10.569 1.00 39.74 C ATOM 37 CG2 VAL A 7 4.302 -24.136 11.031 1.00 41.59 C ATOM 38 H VAL A 7 7.071 -22.379 9.972 1.00 0.00 H ATOM 39 N GLN A 8 4.220 -20.731 7.778 1.00 42.13 N ATOM 40 CA GLN A 8 4.021 -19.383 7.208 1.00 43.17 C ATOM 41 C GLN A 8 2.642 -18.884 7.615 1.00 39.47 C ATOM 42 O GLN A 8 1.682 -19.642 7.490 1.00 41.03 O ATOM 43 CB GLN A 8 4.154 -19.423 5.692 1.00 47.09 C ATOM 44 CG GLN A 8 5.593 -19.461 5.208 1.00 52.12 C ATOM 45 CD GLN A 8 5.686 -19.128 3.739 1.00 55.86 C ATOM 46 OE1 GLN A 8 5.420 -18.004 3.325 1.00 65.22 O ATOM 47 NE2 GLN A 8 6.016 -20.121 2.933 1.00 53.63 N ATOM 48 HE22 GLN A 8 6.234 -21.059 3.326 1.00 0.00 H ATOM 49 HE21 GLN A 8 6.058 -19.965 1.906 1.00 0.00 H ATOM 50 H GLN A 8 3.743 -21.528 7.311 1.00 0.00 H ATOM 51 N VAL A 9 2.563 -17.647 8.081 1.00 37.36 N ATOM 52 CA VAL A 9 1.289 -16.946 8.378 1.00 35.35 C ATOM 53 C VAL A 9 1.346 -15.590 7.708 1.00 32.36 C ATOM 54 O VAL A 9 2.428 -15.130 7.428 1.00 30.57 O ATOM 55 CB VAL A 9 1.053 -16.819 9.893 1.00 35.56 C ATOM 56 CG1 VAL A 9 0.736 -18.161 10.506 1.00 38.38 C ATOM 57 CG2 VAL A 9 2.248 -16.162 10.596 1.00 36.25 C ATOM 58 H VAL A 9 3.451 -17.133 8.250 1.00 0.00 H ATOM 59 N ARG A 10 0.203 -14.976 7.497 1.00 35.49 N ATOM 60 CA ARG A 10 0.084 -13.714 6.739 1.00 36.89 C ATOM 61 C ARG A 10 -0.519 -12.650 7.648 1.00 34.57 C ATOM 62 O ARG A 10 -1.457 -12.959 8.379 1.00 34.24 O ATOM 63 CB ARG A 10 -0.707 -13.970 5.463 1.00 40.19 C ATOM 64 CG ARG A 10 0.091 -14.727 4.407 1.00 43.65 C ATOM 65 CD ARG A 10 -0.764 -15.670 3.583 1.00 49.56 C ATOM 66 NE ARG A 10 -1.750 -14.964 2.791 1.00 55.81 N ATOM 67 CZ ARG A 10 -3.083 -15.189 2.812 1.00 59.96 C ATOM 68 NH1 ARG A 10 -3.886 -14.454 2.053 1.00 56.31 N ATOM 69 NH2 ARG A 10 -3.599 -16.123 3.597 1.00 59.91 N ATOM 70 HE ARG A 10 -1.403 -14.221 2.152 1.00 0.00 H ATOM 71 HH12 ARG A 10 -4.912 -14.623 2.066 1.00 0.00 H ATOM 72 HH11 ARG A 10 -3.489 -13.709 1.446 1.00 0.00 H ATOM 73 HH22 ARG A 10 -4.626 -16.287 3.604 1.00 0.00 H ATOM 74 HH21 ARG A 10 -2.977 -16.692 4.206 1.00 0.00 H ATOM 75 H ARG A 10 -0.663 -15.401 7.884 1.00 0.00 H ATOM 76 N LEU A 11 0.082 -11.473 7.655 1.00 32.11 N ATOM 77 CA LEU A 11 -0.463 -10.271 8.284 1.00 32.04 C ATOM 78 C LEU A 11 -0.771 -9.277 7.183 1.00 32.80 C ATOM 79 O LEU A 11 -0.035 -9.245 6.204 1.00 33.65 O ATOM 80 CB LEU A 11 0.564 -9.693 9.264 1.00 34.14 C ATOM 81 CG LEU A 11 0.796 -10.498 10.522 1.00 33.89 C ATOM 82 CD1 LEU A 11 1.878 -9.878 11.347 1.00 35.26 C ATOM 83 CD2 LEU A 11 -0.473 -10.623 11.324 1.00 38.02 C ATOM 84 H LEU A 11 1.005 -11.397 7.181 1.00 0.00 H ATOM 85 N GLU A 12 -1.769 -8.452 7.395 1.00 31.89 N ATOM 86 CA GLU A 12 -2.029 -7.253 6.574 1.00 32.59 C ATOM 87 C GLU A 12 -1.949 -6.035 7.486 1.00 31.85 C ATOM 88 O GLU A 12 -2.655 -6.006 8.508 1.00 30.08 O ATOM 89 CB GLU A 12 -3.369 -7.401 5.866 1.00 33.22 C ATOM 90 CG GLU A 12 -3.400 -8.613 4.951 1.00 35.16 C ATOM 91 CD GLU A 12 -4.710 -8.891 4.261 1.00 37.10 C ATOM 92 OE1 GLU A 12 -5.659 -8.114 4.444 1.00 40.32 O ATOM 93 OE2 GLU A 12 -4.777 -9.889 3.555 1.00 44.17 O ATOM 94 H GLU A 12 -2.413 -8.654 8.186 1.00 0.00 H ATOM 95 N LEU A 13 -1.034 -5.133 7.175 1.00 30.75 N ATOM 96 CA LEU A 13 -0.969 -3.776 7.741 1.00 28.64 C ATOM 97 C LEU A 13 -1.582 -2.811 6.724 1.00 31.88 C ATOM 98 O LEU A 13 -1.457 -3.049 5.505 1.00 29.38 O ATOM 99 CB LEU A 13 0.481 -3.430 8.008 1.00 30.78 C ATOM 100 CG LEU A 13 1.131 -4.121 9.196 1.00 33.17 C ATOM 101 CD1 LEU A 13 1.368 -5.588 8.922 1.00 35.44 C ATOM 102 CD2 LEU A 13 2.437 -3.438 9.551 1.00 36.46 C ATOM 103 H LEU A 13 -0.308 -5.402 6.481 1.00 0.00 H ATOM 104 N GLY A 14 -2.229 -1.764 7.195 1.00 32.16 N ATOM 105 CA GLY A 14 -2.857 -0.793 6.297 1.00 31.00 C ATOM 106 C GLY A 14 -3.292 0.419 7.041 1.00 30.46 C ATOM 107 O GLY A 14 -3.207 0.439 8.255 1.00 30.55 O ATOM 108 H GLY A 14 -2.295 -1.625 8.224 1.00 0.00 H ATOM 109 N HIS A 15 -3.744 1.403 6.321 1.00 29.74 N ATOM 110 CA HIS A 15 -4.190 2.655 6.896 1.00 31.18 C ATOM 111 C HIS A 15 -5.147 3.303 5.920 1.00 32.54 C ATOM 112 O HIS A 15 -5.026 3.048 4.691 1.00 29.54 O ATOM 113 CB HIS A 15 -2.961 3.512 7.286 1.00 29.61 C ATOM 114 CG HIS A 15 -2.399 4.332 6.183 1.00 29.64 C ATOM 115 ND1 HIS A 15 -1.582 3.795 5.208 1.00 30.49 N ATOM 116 CD2 HIS A 15 -2.461 5.669 5.941 1.00 32.12 C ATOM 117 CE1 HIS A 15 -1.198 4.752 4.385 1.00 31.04 C ATOM 118 NE2 HIS A 15 -1.714 5.918 4.814 1.00 31.90 N ATOM 119 H HIS A 15 -3.787 1.286 5.289 1.00 0.00 H ATOM 120 N ARG A 16 -6.074 4.061 6.460 1.00 34.82 N ATOM 121 CA ARG A 16 -6.988 4.955 5.723 1.00 39.04 C ATOM 122 C ARG A 16 -6.761 6.373 6.233 1.00 36.59 C ATOM 123 O ARG A 16 -6.393 6.531 7.430 1.00 35.65 O ATOM 124 CB ARG A 16 -8.428 4.464 5.914 1.00 43.05 C ATOM 125 CG ARG A 16 -8.605 3.003 5.502 1.00 47.40 C ATOM 126 CD ARG A 16 -10.010 2.613 5.095 1.00 55.88 C ATOM 127 NE ARG A 16 -10.590 1.610 5.986 1.00 61.49 N ATOM 128 CZ ARG A 16 -10.381 0.294 5.898 1.00 65.29 C ATOM 129 NH1 ARG A 16 -10.956 -0.525 6.763 1.00 64.60 N ATOM 130 NH2 ARG A 16 -9.589 -0.198 4.961 1.00 66.69 N ATOM 131 HE ARG A 16 -11.213 1.947 6.747 1.00 0.00 H ATOM 132 HH12 ARG A 16 -10.794 -1.550 6.695 1.00 0.00 H ATOM 133 HH11 ARG A 16 -11.570 -0.144 7.511 1.00 0.00 H ATOM 134 HH22 ARG A 16 -9.432 -1.224 4.899 1.00 0.00 H ATOM 135 HH21 ARG A 16 -9.123 0.441 4.285 1.00 0.00 H ATOM 136 H ARG A 16 -6.172 4.028 7.495 1.00 0.00 H ATOM 137 N ALA A 17 -6.839 7.344 5.347 1.00 36.35 N ATOM 138 CA ALA A 17 -6.724 8.775 5.681 1.00 34.67 C ATOM 139 C ALA A 17 -7.671 9.560 4.786 1.00 35.99 C ATOM 140 O ALA A 17 -7.787 9.198 3.588 1.00 33.94 O ATOM 141 CB ALA A 17 -5.297 9.231 5.521 1.00 33.69 C ATOM 142 H ALA A 17 -6.991 7.086 4.351 1.00 0.00 H ATOM 143 N GLN A 18 -8.343 10.557 5.357 1.00 36.16 N ATOM 144 CA GLN A 18 -9.213 11.504 4.623 1.00 41.46 C ATOM 145 C GLN A 18 -9.219 12.851 5.356 1.00 42.46 C ATOM 146 O GLN A 18 -8.854 12.900 6.569 1.00 41.82 O ATOM 147 CB GLN A 18 -10.623 10.929 4.474 1.00 43.63 C ATOM 148 CG GLN A 18 -11.284 10.611 5.802 1.00 46.33 C ATOM 149 CD GLN A 18 -12.641 9.977 5.633 1.00 50.25 C ATOM 150 OE1 GLN A 18 -12.917 9.297 4.645 1.00 52.01 O ATOM 151 NE2 GLN A 18 -13.516 10.229 6.589 1.00 50.44 N ATOM 152 HE22 GLN A 18 -13.240 10.809 7.407 1.00 0.00 H ATOM 153 HE21 GLN A 18 -14.481 9.848 6.524 1.00 0.00 H ATOM 154 H GLN A 18 -8.251 10.679 6.386 1.00 0.00 H ATOM 155 N LEU A 19 -9.587 13.905 4.651 1.00 44.49 N ATOM 156 CA LEU A 19 -9.746 15.263 5.230 1.00 46.26 C ATOM 157 C LEU A 19 -10.806 15.228 6.336 1.00 47.96 C ATOM 158 O LEU A 19 -11.770 14.439 6.235 1.00 48.42 O ATOM 159 CB LEU A 19 -10.102 16.249 4.117 1.00 48.55 C ATOM 160 CG LEU A 19 -8.915 16.755 3.283 1.00 50.29 C ATOM 161 CD1 LEU A 19 -9.369 17.828 2.295 1.00 52.37 C ATOM 162 CD2 LEU A 19 -7.805 17.315 4.166 1.00 50.63 C ATOM 163 H LEU A 19 -9.776 13.777 3.636 1.00 0.00 H ATOM 164 N ARG A 20 -10.514 15.905 7.431 1.00 49.25 N ATOM 165 CA ARG A 20 -11.439 16.159 8.553 1.00 49.63 C ATOM 166 C ARG A 20 -12.301 17.355 8.168 1.00 51.34 C ATOM 167 O ARG A 20 -11.736 18.304 7.642 1.00 50.31 O ATOM 168 CB ARG A 20 -10.604 16.459 9.797 1.00 49.83 C ATOM 169 CG ARG A 20 -11.155 15.901 11.084 1.00 53.81 C ATOM 170 CD ARG A 20 -10.170 16.113 12.212 1.00 55.17 C ATOM 171 NE ARG A 20 -10.851 16.562 13.398 1.00 52.53 N ATOM 172 CZ ARG A 20 -11.584 15.778 14.183 1.00 57.07 C ATOM 173 NH1 ARG A 20 -11.706 14.486 13.913 1.00 55.49 N ATOM 174 NH2 ARG A 20 -12.208 16.292 15.229 1.00 56.44 N ATOM 175 HE ARG A 20 -10.764 17.565 13.658 1.00 0.00 H ATOM 176 HH12 ARG A 20 -12.281 13.878 14.531 1.00 0.00 H ATOM 177 HH11 ARG A 20 -11.227 14.081 13.084 1.00 0.00 H ATOM 178 HH22 ARG A 20 -12.782 15.681 15.844 1.00 0.00 H ATOM 179 HH21 ARG A 20 -12.125 17.308 15.437 1.00 0.00 H ATOM 180 H ARG A 20 -9.552 16.292 7.510 1.00 0.00 H ATOM 181 N LYS A 21 -13.615 17.295 8.380 1.00 55.80 N ATOM 182 CA LYS A 21 -14.498 18.483 8.269 1.00 62.09 C ATOM 183 C LYS A 21 -14.912 18.917 9.673 1.00 62.29 C ATOM 184 O LYS A 21 -15.802 18.276 10.254 1.00 65.89 O ATOM 185 CB LYS A 21 -15.679 18.210 7.333 1.00 68.20 C ATOM 186 CG LYS A 21 -15.373 18.406 5.843 1.00 73.46 C ATOM 187 CD LYS A 21 -14.656 19.727 5.505 1.00 74.38 C ATOM 188 CE LYS A 21 -14.090 19.753 4.098 1.00 78.53 C ATOM 189 NZ LYS A 21 -12.935 18.828 3.949 1.00 79.80 N ATOM 190 HZ1 LYS A 21 -12.182 19.107 4.609 1.00 0.00 H ATOM 191 HZ2 LYS A 21 -13.241 17.857 4.160 1.00 0.00 H ATOM 192 HZ3 LYS A 21 -12.578 18.876 2.973 1.00 0.00 H ATOM 193 H LYS A 21 -14.039 16.380 8.633 1.00 0.00 H ATOM 194 N LYS A 22 -14.178 19.890 10.227 1.00 59.95 N ATOM 195 CA LYS A 22 -14.452 20.550 11.528 1.00 60.17 C ATOM 196 C LYS A 22 -14.154 22.045 11.374 1.00 57.66 C ATOM 197 O LYS A 22 -13.793 22.506 10.285 1.00 56.28 O ATOM 198 CB LYS A 22 -13.618 19.906 12.648 1.00 64.28 C ATOM 199 CG LYS A 22 -13.736 18.395 12.778 1.00 67.92 C ATOM 200 CD LYS A 22 -15.135 17.913 13.169 1.00 71.39 C ATOM 201 CE LYS A 22 -15.496 18.186 14.615 1.00 72.58 C ATOM 202 NZ LYS A 22 -16.563 17.265 15.086 1.00 75.93 N ATOM 203 HZ1 LYS A 22 -17.413 17.394 14.501 1.00 0.00 H ATOM 204 HZ2 LYS A 22 -16.231 16.283 15.006 1.00 0.00 H ATOM 205 HZ3 LYS A 22 -16.788 17.476 16.079 1.00 0.00 H ATOM 206 H LYS A 22 -13.342 20.212 9.699 1.00 0.00 H ATOM 207 N PRO A 23 -14.249 22.848 12.457 1.00 52.22 N ATOM 208 CA PRO A 23 -13.928 24.275 12.375 1.00 52.77 C ATOM 209 C PRO A 23 -12.528 24.560 11.795 1.00 51.72 C ATOM 210 O PRO A 23 -11.628 23.762 11.997 1.00 48.87 O ATOM 211 CB PRO A 23 -14.025 24.744 13.848 1.00 53.41 C ATOM 212 CG PRO A 23 -14.970 23.740 14.497 1.00 50.90 C ATOM 213 CD PRO A 23 -14.673 22.433 13.804 1.00 51.23 C ATOM 214 N THR A 24 -12.379 25.707 11.122 1.00 57.20 N ATOM 215 CA THR A 24 -11.116 26.187 10.481 1.00 58.47 C ATOM 216 C THR A 24 -10.004 26.350 11.541 1.00 61.72 C ATOM 217 O THR A 24 -8.822 26.412 11.140 1.00 61.55 O ATOM 218 CB THR A 24 -11.355 27.505 9.721 1.00 61.44 C ATOM 219 OG1 THR A 24 -11.924 28.483 10.615 1.00 58.96 O ATOM 220 CG2 THR A 24 -12.256 27.315 8.517 1.00 62.72 C ATOM 221 HG1 THR A 24 -11.300 28.644 11.366 1.00 0.00 H ATOM 222 H THR A 24 -13.216 26.319 11.037 1.00 0.00 H ATOM 223 N THR A 25 -10.376 26.449 12.832 1.00 60.09 N ATOM 224 CA THR A 25 -9.472 26.787 13.972 1.00 58.52 C ATOM 225 C THR A 25 -9.083 25.520 14.757 1.00 59.01 C ATOM 226 O THR A 25 -8.367 25.655 15.760 1.00 53.93 O ATOM 227 CB THR A 25 -10.130 27.796 14.920 1.00 59.23 C ATOM 228 OG1 THR A 25 -11.350 27.209 15.390 1.00 57.85 O ATOM 229 CG2 THR A 25 -10.391 29.144 14.267 1.00 57.95 C ATOM 230 HG1 THR A 25 -11.147 26.366 15.867 1.00 0.00 H ATOM 231 H THR A 25 -11.377 26.275 13.054 1.00 0.00 H ATOM 232 N GLU A 26 -9.594 24.348 14.363 1.00 58.60 N ATOM 233 CA GLU A 26 -9.032 23.042 14.773 1.00 59.76 C ATOM 234 C GLU A 26 -7.917 22.675 13.796 1.00 57.45 C ATOM 235 O GLU A 26 -8.165 22.721 12.587 1.00 62.21 O ATOM 236 CB GLU A 26 -10.116 21.985 14.817 1.00 62.95 C ATOM 237 CG GLU A 26 -9.691 20.743 15.556 1.00 66.25 C ATOM 238 CD GLU A 26 -10.222 19.478 14.935 1.00 65.61 C ATOM 239 OE1 GLU A 26 -10.173 19.374 13.683 1.00 70.67 O ATOM 240 OE2 GLU A 26 -10.693 18.616 15.684 1.00 61.93 O ATOM 241 H GLU A 26 -10.426 24.355 13.739 1.00 0.00 H ATOM 242 N GLY A 27 -6.723 22.400 14.307 1.00 55.52 N ATOM 243 CA GLY A 27 -5.489 22.307 13.508 1.00 50.93 C ATOM 244 C GLY A 27 -5.427 21.011 12.723 1.00 47.60 C ATOM 245 O GLY A 27 -4.754 20.978 11.682 1.00 47.57 O ATOM 246 H GLY A 27 -6.655 22.241 15.332 1.00 0.00 H ATOM 247 N PHE A 28 -6.094 19.971 13.204 1.00 44.98 N ATOM 248 CA PHE A 28 -6.039 18.609 12.613 1.00 42.53 C ATOM 249 C PHE A 28 -6.801 18.608 11.285 1.00 41.37 C ATOM 250 O PHE A 28 -8.032 18.738 11.287 1.00 45.62 O ATOM 251 CB PHE A 28 -6.584 17.577 13.598 1.00 42.44 C ATOM 252 CG PHE A 28 -5.993 17.677 14.982 1.00 44.04 C ATOM 253 CD1 PHE A 28 -4.630 17.558 15.180 1.00 44.21 C ATOM 254 CD2 PHE A 28 -6.805 17.871 16.089 1.00 45.76 C ATOM 255 CE1 PHE A 28 -4.085 17.669 16.450 1.00 46.07 C ATOM 256 CE2 PHE A 28 -6.258 17.972 17.360 1.00 46.90 C ATOM 257 CZ PHE A 28 -4.904 17.857 17.539 1.00 46.01 C ATOM 258 H PHE A 28 -6.690 20.117 14.044 1.00 0.00 H ATOM 259 N THR A 29 -6.094 18.381 10.191 1.00 36.70 N ATOM 260 CA THR A 29 -6.654 18.406 8.818 1.00 37.79 C ATOM 261 C THR A 29 -7.235 17.037 8.459 1.00 36.40 C ATOM 262 O THR A 29 -8.067 16.979 7.547 1.00 38.54 O ATOM 263 CB THR A 29 -5.598 18.856 7.801 1.00 37.04 C ATOM 264 OG1 THR A 29 -4.455 18.010 7.925 1.00 37.11 O ATOM 265 CG2 THR A 29 -5.183 20.296 7.995 1.00 37.61 C ATOM 266 HG1 THR A 29 -4.718 17.073 7.745 1.00 0.00 H ATOM 267 H THR A 29 -5.081 18.172 10.300 1.00 0.00 H ATOM 268 N HIS A 30 -6.766 15.965 9.082 1.00 36.58 N ATOM 269 CA HIS A 30 -7.042 14.578 8.613 1.00 37.08 C ATOM 270 C HIS A 30 -7.561 13.724 9.745 1.00 36.23 C ATOM 271 O HIS A 30 -7.136 13.932 10.895 1.00 35.85 O ATOM 272 CB HIS A 30 -5.802 13.951 7.993 1.00 36.07 C ATOM 273 CG HIS A 30 -5.465 14.496 6.652 1.00 37.31 C ATOM 274 ND1 HIS A 30 -4.812 15.703 6.487 1.00 40.46 N ATOM 275 CD2 HIS A 30 -5.653 13.994 5.411 1.00 38.65 C ATOM 276 CE1 HIS A 30 -4.632 15.928 5.194 1.00 39.65 C ATOM 277 NE2 HIS A 30 -5.128 14.897 4.518 1.00 37.29 N ATOM 278 H HIS A 30 -6.182 16.097 9.932 1.00 0.00 H ATOM 279 N ASP A 31 -8.452 12.798 9.409 1.00 38.07 N ATOM 280 CA ASP A 31 -8.711 11.566 10.183 1.00 38.51 C ATOM 281 C ASP A 31 -7.935 10.435 9.543 1.00 35.12 C ATOM 282 O ASP A 31 -7.999 10.294 8.294 1.00 31.30 O ATOM 283 CB ASP A 31 -10.191 11.215 10.219 1.00 40.84 C ATOM 284 CG ASP A 31 -11.021 12.249 10.930 1.00 45.41 C ATOM 285 OD1 ASP A 31 -10.588 12.710 12.000 1.00 44.26 O ATOM 286 OD2 ASP A 31 -12.072 12.617 10.376 1.00 53.15 O ATOM 287 H ASP A 31 -9.005 12.950 8.542 1.00 0.00 H ATOM 288 N TRP A 32 -7.316 9.598 10.350 1.00 32.44 N ATOM 289 CA TRP A 32 -6.674 8.378 9.824 1.00 33.67 C ATOM 290 C TRP A 32 -6.874 7.212 10.775 1.00 32.11 C ATOM 291 O TRP A 32 -7.260 7.421 11.948 1.00 31.33 O ATOM 292 CB TRP A 32 -5.191 8.619 9.492 1.00 32.61 C ATOM 293 CG TRP A 32 -4.360 9.096 10.633 1.00 32.78 C ATOM 294 CD1 TRP A 32 -3.841 10.349 10.801 1.00 32.36 C ATOM 295 CD2 TRP A 32 -3.834 8.296 11.709 1.00 32.88 C ATOM 296 NE1 TRP A 32 -3.095 10.399 11.943 1.00 31.75 N ATOM 297 CE2 TRP A 32 -3.056 9.156 12.512 1.00 32.21 C ATOM 298 CE3 TRP A 32 -3.958 6.947 12.080 1.00 32.36 C ATOM 299 CZ2 TRP A 32 -2.379 8.703 13.646 1.00 33.96 C ATOM 300 CZ3 TRP A 32 -3.327 6.509 13.224 1.00 32.99 C ATOM 301 CH2 TRP A 32 -2.530 7.372 13.982 1.00 36.36 C ATOM 302 HE1 TRP A 32 -2.629 11.249 12.321 1.00 0.00 H ATOM 303 H TRP A 32 -7.279 9.799 11.370 1.00 0.00 H ATOM 304 N MET A 33 -6.670 6.030 10.251 1.00 32.40 N ATOM 305 CA MET A 33 -6.837 4.758 10.974 1.00 33.46 C ATOM 306 C MET A 33 -5.786 3.797 10.436 1.00 32.05 C ATOM 307 O MET A 33 -5.578 3.762 9.179 1.00 28.99 O ATOM 308 CB MET A 33 -8.251 4.206 10.767 1.00 36.16 C ATOM 309 CG MET A 33 -8.575 3.007 11.616 1.00 40.78 C ATOM 310 SD MET A 33 -8.198 1.462 10.775 1.00 43.19 S ATOM 311 CE MET A 33 -9.484 1.408 9.530 1.00 41.94 C ATOM 312 H MET A 33 -6.370 5.986 9.256 1.00 0.00 H ATOM 313 N VAL A 34 -5.002 3.233 11.331 1.00 29.74 N ATOM 314 CA VAL A 34 -3.949 2.247 10.989 1.00 31.43 C ATOM 315 C VAL A 34 -4.340 0.937 11.639 1.00 30.37 C ATOM 316 O VAL A 34 -5.020 0.986 12.665 1.00 31.19 O ATOM 317 CB VAL A 34 -2.559 2.705 11.434 1.00 30.10 C ATOM 318 CG1 VAL A 34 -2.440 2.705 12.956 1.00 32.97 C ATOM 319 CG2 VAL A 34 -1.470 1.843 10.797 1.00 32.01 C ATOM 320 H VAL A 34 -5.128 3.493 12.330 1.00 0.00 H ATOM 321 N PHE A 35 -4.047 -0.187 10.997 1.00 28.30 N ATOM 322 CA PHE A 35 -4.466 -1.500 11.521 1.00 29.04 C ATOM 323 C PHE A 35 -3.431 -2.573 11.210 1.00 27.89 C ATOM 324 O PHE A 35 -2.649 -2.453 10.262 1.00 28.69 O ATOM 325 CB PHE A 35 -5.862 -1.854 11.000 1.00 29.86 C ATOM 326 CG PHE A 35 -5.961 -1.928 9.507 1.00 30.17 C ATOM 327 CD1 PHE A 35 -5.672 -3.100 8.842 1.00 30.17 C ATOM 328 CD2 PHE A 35 -6.300 -0.815 8.765 1.00 30.49 C ATOM 329 CE1 PHE A 35 -5.765 -3.169 7.463 1.00 30.99 C ATOM 330 CE2 PHE A 35 -6.373 -0.884 7.382 1.00 31.07 C ATOM 331 CZ PHE A 35 -6.092 -2.048 6.737 1.00 29.73 C ATOM 332 H PHE A 35 -3.511 -0.141 10.107 1.00 0.00 H ATOM 333 N VAL A 36 -3.549 -3.659 11.941 1.00 28.28 N ATOM 334 CA VAL A 36 -3.004 -5.000 11.600 1.00 29.08 C ATOM 335 C VAL A 36 -4.167 -5.991 11.637 1.00 29.36 C ATOM 336 O VAL A 36 -4.891 -6.016 12.642 1.00 28.92 O ATOM 337 CB VAL A 36 -1.896 -5.396 12.593 1.00 27.05 C ATOM 338 CG1 VAL A 36 -1.389 -6.781 12.332 1.00 28.02 C ATOM 339 CG2 VAL A 36 -0.764 -4.373 12.593 1.00 26.21 C ATOM 340 H VAL A 36 -4.070 -3.573 12.837 1.00 0.00 H ATOM 341 N ARG A 37 -4.307 -6.816 10.614 1.00 30.11 N ATOM 342 CA ARG A 37 -5.344 -7.860 10.576 1.00 30.64 C ATOM 343 C ARG A 37 -4.781 -9.090 9.886 1.00 32.12 C ATOM 344 O ARG A 37 -3.684 -8.985 9.264 1.00 30.93 O ATOM 345 CB ARG A 37 -6.586 -7.325 9.863 1.00 30.74 C ATOM 346 CG ARG A 37 -6.315 -6.944 8.424 1.00 30.70 C ATOM 347 CD ARG A 37 -7.491 -6.362 7.705 1.00 31.82 C ATOM 348 NE ARG A 37 -7.269 -6.490 6.288 1.00 33.73 N ATOM 349 CZ ARG A 37 -7.917 -5.815 5.356 1.00 36.92 C ATOM 350 NH1 ARG A 37 -8.796 -4.893 5.701 1.00 36.53 N ATOM 351 NH2 ARG A 37 -7.647 -6.035 4.073 1.00 38.26 N ATOM 352 HE ARG A 37 -6.543 -7.166 5.975 1.00 0.00 H ATOM 353 HH12 ARG A 37 -9.307 -4.361 4.968 1.00 0.00 H ATOM 354 HH11 ARG A 37 -8.978 -4.698 6.706 1.00 0.00 H ATOM 355 HH22 ARG A 37 -8.155 -5.505 3.336 1.00 0.00 H ATOM 356 HH21 ARG A 37 -6.927 -6.737 3.806 1.00 0.00 H ATOM 357 H ARG A 37 -3.660 -6.724 9.805 1.00 0.00 H ATOM 358 N GLY A 38 -5.520 -10.193 9.953 1.00 31.97 N ATOM 359 CA GLY A 38 -5.291 -11.372 9.123 1.00 31.98 C ATOM 360 C GLY A 38 -6.051 -11.257 7.817 1.00 32.88 C ATOM 361 O GLY A 38 -6.937 -10.398 7.674 1.00 31.57 O ATOM 362 H GLY A 38 -6.305 -10.217 10.635 1.00 0.00 H ATOM 363 N PRO A 39 -5.754 -12.121 6.835 1.00 35.95 N ATOM 364 CA PRO A 39 -6.658 -12.327 5.701 1.00 39.52 C ATOM 365 C PRO A 39 -8.016 -12.865 6.180 1.00 42.85 C ATOM 366 O PRO A 39 -8.107 -13.338 7.324 1.00 39.43 O ATOM 367 CB PRO A 39 -5.982 -13.373 4.814 1.00 40.98 C ATOM 368 CG PRO A 39 -4.582 -13.581 5.416 1.00 40.53 C ATOM 369 CD PRO A 39 -4.639 -13.049 6.842 1.00 37.17 C ATOM 370 N GLU A 40 -9.038 -12.762 5.333 1.00 48.19 N ATOM 371 CA GLU A 40 -10.401 -13.290 5.602 1.00 54.03 C ATOM 372 C GLU A 40 -10.282 -14.727 6.106 1.00 52.94 C ATOM 373 O GLU A 40 -9.451 -15.471 5.557 1.00 55.31 O ATOM 374 CB GLU A 40 -11.248 -13.250 4.331 1.00 61.67 C ATOM 375 CG GLU A 40 -11.641 -11.853 3.907 1.00 66.44 C ATOM 376 CD GLU A 40 -12.682 -11.193 4.796 1.00 71.74 C ATOM 377 OE1 GLU A 40 -13.339 -11.919 5.576 1.00 76.61 O ATOM 378 OE2 GLU A 40 -12.837 -9.955 4.706 1.00 72.11 O ATOM 379 H GLU A 40 -8.872 -12.282 4.426 1.00 0.00 H ATOM 380 N GLN A 41 -11.017 -15.077 7.161 1.00 52.27 N ATOM 381 CA GLN A 41 -11.225 -16.485 7.586 1.00 57.09 C ATOM 382 C GLN A 41 -9.961 -17.014 8.275 1.00 54.58 C ATOM 383 O GLN A 41 -9.861 -18.235 8.447 1.00 53.95 O ATOM 384 CB GLN A 41 -11.557 -17.365 6.373 1.00 61.55 C ATOM 385 CG GLN A 41 -12.848 -16.971 5.664 1.00 66.58 C ATOM 386 CD GLN A 41 -13.928 -18.007 5.837 1.00 70.91 C ATOM 387 OE1 GLN A 41 -13.890 -18.821 6.756 1.00 77.10 O ATOM 388 NE2 GLN A 41 -14.903 -17.994 4.937 1.00 74.67 N ATOM 389 HE22 GLN A 41 -14.897 -17.287 4.174 1.00 0.00 H ATOM 390 HE21 GLN A 41 -15.673 -18.691 4.994 1.00 0.00 H ATOM 391 H GLN A 41 -11.470 -14.323 7.717 1.00 0.00 H ATOM 392 N CYS A 42 -8.999 -16.133 8.566 1.00 51.14 N ATOM 393 CA CYS A 42 -7.852 -16.399 9.471 1.00 45.32 C ATOM 394 C CYS A 42 -8.056 -15.611 10.759 1.00 44.41 C ATOM 395 O CYS A 42 -8.538 -14.475 10.679 1.00 47.62 O ATOM 396 CB CYS A 42 -6.541 -15.991 8.827 1.00 44.70 C ATOM 397 SG CYS A 42 -6.142 -16.923 7.326 1.00 48.04 S ATOM 398 H CYS A 42 -9.058 -15.192 8.126 1.00 0.00 H ATOM 399 N ASP A 43 -7.637 -16.157 11.887 1.00 41.81 N ATOM 400 CA ASP A 43 -7.790 -15.506 13.205 1.00 39.06 C ATOM 401 C ASP A 43 -6.407 -15.311 13.837 1.00 36.99 C ATOM 402 O ASP A 43 -6.003 -16.156 14.645 1.00 37.28 O ATOM 403 CB ASP A 43 -8.718 -16.306 14.099 1.00 40.59 C ATOM 404 CG ASP A 43 -8.911 -15.684 15.467 1.00 42.25 C ATOM 405 OD1 ASP A 43 -8.312 -14.608 15.717 1.00 42.14 O ATOM 406 OD2 ASP A 43 -9.656 -16.271 16.269 1.00 46.81 O ATOM 407 H ASP A 43 -7.178 -17.089 11.845 1.00 0.00 H ATOM 408 N ILE A 44 -5.744 -14.191 13.543 1.00 35.07 N ATOM 409 CA ILE A 44 -4.332 -13.965 13.963 1.00 34.71 C ATOM 410 C ILE A 44 -4.267 -13.858 15.493 1.00 33.74 C ATOM 411 O ILE A 44 -3.166 -13.957 16.026 1.00 35.47 O ATOM 412 CB ILE A 44 -3.713 -12.741 13.266 1.00 34.15 C ATOM 413 CG1 ILE A 44 -4.352 -11.427 13.725 1.00 34.20 C ATOM 414 CG2 ILE A 44 -3.762 -12.908 11.745 1.00 34.81 C ATOM 415 CD1 ILE A 44 -3.679 -10.208 13.166 1.00 35.60 C ATOM 416 H ILE A 44 -6.230 -13.449 13.001 1.00 0.00 H ATOM 417 N GLN A 45 -5.400 -13.708 16.172 1.00 32.05 N ATOM 418 CA GLN A 45 -5.430 -13.603 17.647 1.00 33.85 C ATOM 419 C GLN A 45 -4.842 -14.873 18.267 1.00 36.36 C ATOM 420 O GLN A 45 -4.371 -14.803 19.437 1.00 34.65 O ATOM 421 CB GLN A 45 -6.843 -13.368 18.172 1.00 35.80 C ATOM 422 CG GLN A 45 -6.917 -13.390 19.692 1.00 37.59 C ATOM 423 CD GLN A 45 -8.203 -12.807 20.209 1.00 39.68 C ATOM 424 OE1 GLN A 45 -9.223 -12.866 19.554 1.00 42.00 O ATOM 425 NE2 GLN A 45 -8.140 -12.184 21.376 1.00 41.08 N ATOM 426 HE22 GLN A 45 -7.244 -12.158 21.904 1.00 0.00 H ATOM 427 HE21 GLN A 45 -8.986 -11.721 21.764 1.00 0.00 H ATOM 428 H GLN A 45 -6.297 -13.663 15.648 1.00 0.00 H ATOM 429 N HIS A 46 -4.906 -16.007 17.546 1.00 36.70 N ATOM 430 CA HIS A 46 -4.370 -17.306 18.015 1.00 37.29 C ATOM 431 C HIS A 46 -2.860 -17.218 18.268 1.00 37.19 C ATOM 432 O HIS A 46 -2.396 -17.927 19.170 1.00 37.89 O ATOM 433 CB HIS A 46 -4.766 -18.438 17.062 1.00 39.75 C ATOM 434 CG HIS A 46 -6.133 -18.932 17.353 1.00 42.82 C ATOM 435 ND1 HIS A 46 -7.193 -18.729 16.487 1.00 43.02 N ATOM 436 CD2 HIS A 46 -6.659 -19.440 18.487 1.00 43.91 C ATOM 437 CE1 HIS A 46 -8.287 -19.177 17.041 1.00 44.98 C ATOM 438 NE2 HIS A 46 -7.987 -19.616 18.268 1.00 47.15 N ATOM 439 H HIS A 46 -5.356 -15.970 16.609 1.00 0.00 H ATOM 440 N PHE A 47 -2.117 -16.393 17.518 1.00 34.05 N ATOM 441 CA PHE A 47 -0.635 -16.348 17.620 1.00 33.25 C ATOM 442 C PHE A 47 -0.146 -14.952 17.991 1.00 32.24 C ATOM 443 O PHE A 47 1.007 -14.854 18.394 1.00 33.12 O ATOM 444 CB PHE A 47 0.026 -16.893 16.350 1.00 33.06 C ATOM 445 CG PHE A 47 0.125 -15.935 15.199 1.00 33.31 C ATOM 446 CD1 PHE A 47 1.211 -15.080 15.075 1.00 33.71 C ATOM 447 CD2 PHE A 47 -0.826 -15.939 14.192 1.00 35.36 C ATOM 448 CE1 PHE A 47 1.303 -14.212 14.000 1.00 33.64 C ATOM 449 CE2 PHE A 47 -0.729 -15.067 13.122 1.00 34.56 C ATOM 450 CZ PHE A 47 0.340 -14.218 13.023 1.00 33.71 C ATOM 451 H PHE A 47 -2.593 -15.763 16.842 1.00 0.00 H ATOM 452 N VAL A 48 -1.009 -13.937 17.932 1.00 31.24 N ATOM 453 CA VAL A 48 -0.670 -12.535 18.284 1.00 30.67 C ATOM 454 C VAL A 48 -1.124 -12.230 19.720 1.00 31.75 C ATOM 455 O VAL A 48 -2.333 -12.271 19.997 1.00 33.30 O ATOM 456 CB VAL A 48 -1.256 -11.564 17.260 1.00 31.10 C ATOM 457 CG1 VAL A 48 -1.042 -10.101 17.663 1.00 32.35 C ATOM 458 CG2 VAL A 48 -0.685 -11.839 15.872 1.00 29.31 C ATOM 459 H VAL A 48 -1.980 -14.140 17.620 1.00 0.00 H ATOM 460 N GLU A 49 -0.155 -11.974 20.596 1.00 33.20 N ATOM 461 CA GLU A 49 -0.343 -11.513 21.993 1.00 35.80 C ATOM 462 C GLU A 49 -0.932 -10.101 21.992 1.00 32.93 C ATOM 463 O GLU A 49 -1.874 -9.859 22.710 1.00 33.22 O ATOM 464 CB GLU A 49 1.011 -11.514 22.702 1.00 40.73 C ATOM 465 CG GLU A 49 0.940 -11.243 24.197 1.00 47.43 C ATOM 466 CD GLU A 49 2.328 -11.161 24.819 1.00 50.68 C ATOM 467 OE1 GLU A 49 2.788 -12.184 25.390 1.00 58.89 O ATOM 468 OE2 GLU A 49 2.993 -10.130 24.624 1.00 54.00 O ATOM 469 H GLU A 49 0.824 -12.110 20.271 1.00 0.00 H ATOM 470 N LYS A 50 -0.347 -9.202 21.221 1.00 30.69 N ATOM 471 CA LYS A 50 -0.709 -7.771 21.212 1.00 31.44 C ATOM 472 C LYS A 50 0.019 -7.083 20.073 1.00 30.43 C ATOM 473 O LYS A 50 1.019 -7.627 19.590 1.00 30.50 O ATOM 474 CB LYS A 50 -0.378 -7.101 22.553 1.00 32.60 C ATOM 475 CG LYS A 50 1.103 -6.838 22.796 1.00 34.38 C ATOM 476 CD LYS A 50 1.398 -6.369 24.205 1.00 37.17 C ATOM 477 CE LYS A 50 2.887 -6.252 24.493 1.00 38.15 C ATOM 478 NZ LYS A 50 3.126 -5.822 25.890 1.00 39.36 N ATOM 479 HZ1 LYS A 50 2.682 -4.895 26.047 1.00 0.00 H ATOM 480 HZ2 LYS A 50 2.714 -6.520 26.542 1.00 0.00 H ATOM 481 HZ3 LYS A 50 4.150 -5.750 26.059 1.00 0.00 H ATOM 482 H LYS A 50 0.411 -9.520 20.584 1.00 0.00 H ATOM 483 N VAL A 51 -0.520 -5.958 19.642 1.00 32.64 N ATOM 484 CA VAL A 51 0.094 -5.031 18.666 1.00 31.79 C ATOM 485 C VAL A 51 0.248 -3.680 19.333 1.00 32.10 C ATOM 486 O VAL A 51 -0.735 -3.197 19.939 1.00 30.89 O ATOM 487 CB VAL A 51 -0.755 -4.922 17.397 1.00 31.64 C ATOM 488 CG1 VAL A 51 -0.147 -3.949 16.408 1.00 31.49 C ATOM 489 CG2 VAL A 51 -0.969 -6.285 16.761 1.00 30.78 C ATOM 490 H VAL A 51 -1.454 -5.702 20.020 1.00 0.00 H ATOM 491 N VAL A 52 1.441 -3.110 19.238 1.00 31.62 N ATOM 492 CA VAL A 52 1.772 -1.777 19.773 1.00 32.26 C ATOM 493 C VAL A 52 2.050 -0.876 18.596 1.00 31.10 C ATOM 494 O VAL A 52 2.873 -1.253 17.756 1.00 34.88 O ATOM 495 CB VAL A 52 2.957 -1.830 20.755 1.00 33.79 C ATOM 496 CG1 VAL A 52 3.196 -0.481 21.396 1.00 34.76 C ATOM 497 CG2 VAL A 52 2.741 -2.903 21.818 1.00 35.35 C ATOM 498 H VAL A 52 2.194 -3.639 18.753 1.00 0.00 H ATOM 499 N PHE A 53 1.284 0.197 18.485 1.00 29.98 N ATOM 500 CA PHE A 53 1.476 1.284 17.510 1.00 30.16 C ATOM 501 C PHE A 53 2.202 2.439 18.204 1.00 32.47 C ATOM 502 O PHE A 53 1.729 2.893 19.264 1.00 31.67 O ATOM 503 CB PHE A 53 0.130 1.710 16.952 1.00 29.72 C ATOM 504 CG PHE A 53 -0.702 0.597 16.369 1.00 28.71 C ATOM 505 CD1 PHE A 53 -1.513 -0.200 17.183 1.00 28.28 C ATOM 506 CD2 PHE A 53 -0.739 0.388 15.004 1.00 28.87 C ATOM 507 CE1 PHE A 53 -2.327 -1.175 16.630 1.00 29.14 C ATOM 508 CE2 PHE A 53 -1.536 -0.619 14.457 1.00 28.12 C ATOM 509 CZ PHE A 53 -2.333 -1.387 15.267 1.00 27.57 C ATOM 510 H PHE A 53 0.480 0.280 19.140 1.00 0.00 H ATOM 511 N TRP A 54 3.378 2.813 17.694 1.00 32.99 N ATOM 512 CA TRP A 54 4.207 3.904 18.266 1.00 34.29 C ATOM 513 C TRP A 54 3.947 5.165 17.467 1.00 33.68 C ATOM 514 O TRP A 54 4.489 5.277 16.390 1.00 32.35 O ATOM 515 CB TRP A 54 5.689 3.528 18.282 1.00 34.78 C ATOM 516 CG TRP A 54 5.994 2.362 19.174 1.00 37.58 C ATOM 517 CD1 TRP A 54 5.935 1.045 18.844 1.00 36.72 C ATOM 518 CD2 TRP A 54 6.381 2.408 20.564 1.00 37.84 C ATOM 519 NE1 TRP A 54 6.268 0.268 19.919 1.00 38.19 N ATOM 520 CE2 TRP A 54 6.575 1.076 20.980 1.00 37.91 C ATOM 521 CE3 TRP A 54 6.626 3.438 21.473 1.00 38.04 C ATOM 522 CZ2 TRP A 54 6.953 0.745 22.282 1.00 37.80 C ATOM 523 CZ3 TRP A 54 7.030 3.116 22.754 1.00 39.94 C ATOM 524 CH2 TRP A 54 7.199 1.790 23.147 1.00 39.67 C ATOM 525 HE1 TRP A 54 6.285 -0.772 19.929 1.00 0.00 H ATOM 526 H TRP A 54 3.732 2.314 16.853 1.00 0.00 H ATOM 527 N LEU A 55 3.017 5.989 17.935 1.00 34.58 N ATOM 528 CA LEU A 55 2.588 7.224 17.246 1.00 36.87 C ATOM 529 C LEU A 55 3.701 8.267 17.402 1.00 36.88 C ATOM 530 O LEU A 55 4.485 8.148 18.361 1.00 36.59 O ATOM 531 CB LEU A 55 1.273 7.711 17.862 1.00 38.35 C ATOM 532 CG LEU A 55 0.013 7.107 17.251 1.00 40.88 C ATOM 533 CD1 LEU A 55 -0.004 5.606 17.413 1.00 39.22 C ATOM 534 CD2 LEU A 55 -1.231 7.727 17.855 1.00 43.26 C ATOM 535 H LEU A 55 2.564 5.751 18.840 1.00 0.00 H ATOM 536 N HIS A 56 3.690 9.295 16.573 1.00 34.62 N ATOM 537 CA HIS A 56 4.532 10.506 16.743 1.00 37.86 C ATOM 538 C HIS A 56 4.476 10.983 18.201 1.00 41.23 C ATOM 539 O HIS A 56 3.359 10.946 18.800 1.00 39.07 O ATOM 540 CB HIS A 56 4.100 11.594 15.782 1.00 38.77 C ATOM 541 CG HIS A 56 5.104 12.681 15.656 1.00 40.21 C ATOM 542 ND1 HIS A 56 5.060 13.828 16.448 1.00 42.25 N ATOM 543 CD2 HIS A 56 6.175 12.815 14.848 1.00 39.90 C ATOM 544 CE1 HIS A 56 6.068 14.614 16.120 1.00 42.10 C ATOM 545 NE2 HIS A 56 6.757 14.025 15.136 1.00 40.98 N ATOM 546 H HIS A 56 3.053 9.254 15.752 1.00 0.00 H ATOM 547 N ASP A 57 5.631 11.421 18.732 1.00 43.40 N ATOM 548 CA ASP A 57 5.862 11.865 20.142 1.00 46.77 C ATOM 549 C ASP A 57 4.846 12.955 20.541 1.00 45.05 C ATOM 550 O ASP A 57 4.653 13.160 21.737 1.00 44.59 O ATOM 551 CB ASP A 57 7.290 12.424 20.322 1.00 52.93 C ATOM 552 CG ASP A 57 8.407 11.411 20.102 1.00 56.65 C ATOM 553 OD1 ASP A 57 8.101 10.258 19.790 1.00 63.64 O ATOM 554 OD2 ASP A 57 9.574 11.788 20.260 1.00 62.91 O ATOM 555 H ASP A 57 6.452 11.455 18.094 1.00 0.00 H ATOM 556 N SER A 58 4.301 13.686 19.573 1.00 42.98 N ATOM 557 CA SER A 58 3.380 14.834 19.795 1.00 43.32 C ATOM 558 C SER A 58 1.986 14.339 20.223 1.00 43.87 C ATOM 559 O SER A 58 1.257 15.119 20.815 1.00 47.12 O ATOM 560 CB SER A 58 3.295 15.688 18.568 1.00 42.90 C ATOM 561 OG SER A 58 2.834 14.919 17.462 1.00 42.31 O ATOM 562 HG SER A 58 3.463 14.173 17.295 1.00 0.00 H ATOM 563 H SER A 58 4.535 13.438 18.591 1.00 0.00 H ATOM 564 N PHE A 59 1.628 13.085 19.934 1.00 41.28 N ATOM 565 CA PHE A 59 0.306 12.504 20.317 1.00 42.42 C ATOM 566 C PHE A 59 0.248 12.285 21.832 1.00 45.62 C ATOM 567 O PHE A 59 1.244 11.929 22.456 1.00 47.31 O ATOM 568 CB PHE A 59 0.047 11.193 19.579 1.00 40.00 C ATOM 569 CG PHE A 59 -0.384 11.363 18.158 1.00 36.09 C ATOM 570 CD1 PHE A 59 0.551 11.467 17.143 1.00 34.91 C ATOM 571 CD2 PHE A 59 -1.729 11.464 17.836 1.00 36.53 C ATOM 572 CE1 PHE A 59 0.147 11.619 15.823 1.00 36.91 C ATOM 573 CE2 PHE A 59 -2.134 11.606 16.517 1.00 36.06 C ATOM 574 CZ PHE A 59 -1.196 11.691 15.513 1.00 36.55 C ATOM 575 H PHE A 59 2.302 12.484 19.418 1.00 0.00 H ATOM 576 N PRO A 60 -0.928 12.468 22.471 1.00 48.59 N ATOM 577 CA PRO A 60 -1.119 12.005 23.843 1.00 49.77 C ATOM 578 C PRO A 60 -0.992 10.469 23.890 1.00 50.14 C ATOM 579 O PRO A 60 -1.437 9.827 22.953 1.00 44.20 O ATOM 580 CB PRO A 60 -2.533 12.496 24.206 1.00 50.21 C ATOM 581 CG PRO A 60 -3.239 12.641 22.849 1.00 49.75 C ATOM 582 CD PRO A 60 -2.145 13.052 21.885 1.00 48.71 C ATOM 583 N LYS A 61 -0.355 9.939 24.948 1.00 52.25 N ATOM 584 CA LYS A 61 -0.026 8.498 25.126 1.00 51.45 C ATOM 585 C LYS A 61 0.292 7.878 23.773 1.00 46.60 C ATOM 586 O LYS A 61 -0.544 7.201 23.190 1.00 45.00 O ATOM 587 CB LYS A 61 -1.185 7.767 25.797 1.00 55.29 C ATOM 588 CG LYS A 61 -1.676 8.414 27.079 1.00 62.11 C ATOM 589 CD LYS A 61 -2.098 7.425 28.126 1.00 65.50 C ATOM 590 CE LYS A 61 -2.443 8.084 29.439 1.00 71.19 C ATOM 591 NZ LYS A 61 -3.834 8.586 29.437 1.00 76.13 N ATOM 592 HZ1 LYS A 61 -3.948 9.284 28.675 1.00 0.00 H ATOM 593 HZ2 LYS A 61 -4.488 7.792 29.282 1.00 0.00 H ATOM 594 HZ3 LYS A 61 -4.041 9.033 30.353 1.00 0.00 H ATOM 595 H LYS A 61 -0.068 10.590 25.706 1.00 0.00 H ATOM 596 N PRO A 62 1.491 8.137 23.209 1.00 44.37 N ATOM 597 CA PRO A 62 1.796 7.726 21.833 1.00 42.16 C ATOM 598 C PRO A 62 2.051 6.222 21.663 1.00 40.55 C ATOM 599 O PRO A 62 2.118 5.766 20.532 1.00 38.52 O ATOM 600 CB PRO A 62 3.073 8.506 21.469 1.00 42.45 C ATOM 601 CG PRO A 62 3.685 8.921 22.817 1.00 42.91 C ATOM 602 CD PRO A 62 2.540 8.980 23.801 1.00 43.31 C ATOM 603 N ARG A 63 2.270 5.514 22.770 1.00 38.51 N ATOM 604 CA ARG A 63 2.380 4.033 22.799 1.00 38.15 C ATOM 605 C ARG A 63 0.972 3.441 22.930 1.00 36.03 C ATOM 606 O ARG A 63 0.471 3.340 24.059 1.00 35.88 O ATOM 607 CB ARG A 63 3.286 3.581 23.947 1.00 39.28 C ATOM 608 CG ARG A 63 3.644 2.104 23.882 1.00 41.42 C ATOM 609 CD ARG A 63 4.434 1.646 25.081 1.00 44.51 C ATOM 610 NE ARG A 63 4.683 0.219 25.043 1.00 46.26 N ATOM 611 CZ ARG A 63 3.959 -0.701 25.682 1.00 47.23 C ATOM 612 NH1 ARG A 63 2.922 -0.347 26.425 1.00 48.52 N ATOM 613 NH2 ARG A 63 4.276 -1.979 25.565 1.00 47.90 N ATOM 614 HE ARG A 63 5.488 -0.113 24.474 1.00 0.00 H ATOM 615 HH12 ARG A 63 2.364 -1.073 26.919 1.00 0.00 H ATOM 616 HH11 ARG A 63 2.665 0.657 26.515 1.00 0.00 H ATOM 617 HH22 ARG A 63 3.715 -2.701 26.061 1.00 0.00 H ATOM 618 HH21 ARG A 63 5.086 -2.262 24.977 1.00 0.00 H ATOM 619 H ARG A 63 2.370 6.029 23.668 1.00 0.00 H ATOM 620 N ARG A 64 0.365 3.087 21.805 1.00 34.81 N ATOM 621 CA ARG A 64 -1.016 2.554 21.727 1.00 33.90 C ATOM 622 C ARG A 64 -0.951 1.030 21.623 1.00 34.40 C ATOM 623 O ARG A 64 -0.388 0.531 20.635 1.00 35.81 O ATOM 624 CB ARG A 64 -1.736 3.184 20.532 1.00 34.59 C ATOM 625 CG ARG A 64 -1.772 4.715 20.542 1.00 33.49 C ATOM 626 CD ARG A 64 -2.615 5.307 21.684 1.00 34.02 C ATOM 627 NE ARG A 64 -2.572 6.760 21.680 1.00 34.44 N ATOM 628 CZ ARG A 64 -3.356 7.568 20.953 1.00 34.65 C ATOM 629 NH1 ARG A 64 -3.177 8.875 21.002 1.00 37.24 N ATOM 630 NH2 ARG A 64 -4.277 7.085 20.158 1.00 33.98 N ATOM 631 HE ARG A 64 -1.869 7.214 22.297 1.00 0.00 H ATOM 632 HH12 ARG A 64 -3.784 9.504 20.439 1.00 0.00 H ATOM 633 HH11 ARG A 64 -2.429 9.275 21.604 1.00 0.00 H ATOM 634 HH22 ARG A 64 -4.875 7.730 19.603 1.00 0.00 H ATOM 635 HH21 ARG A 64 -4.411 6.056 20.082 1.00 0.00 H ATOM 636 H ARG A 64 0.895 3.191 20.916 1.00 0.00 H ATOM 637 N VAL A 65 -1.514 0.330 22.607 1.00 34.59 N ATOM 638 CA VAL A 65 -1.530 -1.157 22.721 1.00 35.53 C ATOM 639 C VAL A 65 -2.927 -1.661 22.350 1.00 35.13 C ATOM 640 O VAL A 65 -3.894 -1.236 22.987 1.00 37.54 O ATOM 641 CB VAL A 65 -1.162 -1.605 24.149 1.00 38.78 C ATOM 642 CG1 VAL A 65 -0.963 -3.103 24.230 1.00 42.33 C ATOM 643 CG2 VAL A 65 0.068 -0.876 24.672 1.00 40.68 C ATOM 644 H VAL A 65 -1.984 0.868 23.363 1.00 0.00 H ATOM 645 N CYS A 66 -3.008 -2.622 21.454 1.00 34.75 N ATOM 646 CA CYS A 66 -4.217 -3.442 21.216 1.00 33.75 C ATOM 647 C CYS A 66 -3.919 -4.883 21.606 1.00 33.38 C ATOM 648 O CYS A 66 -3.118 -5.524 20.931 1.00 35.20 O ATOM 649 CB CYS A 66 -4.651 -3.349 19.769 1.00 34.96 C ATOM 650 SG CYS A 66 -5.298 -1.717 19.337 1.00 33.30 S ATOM 651 H CYS A 66 -2.167 -2.818 20.875 1.00 0.00 H ATOM 652 N LYS A 67 -4.492 -5.344 22.694 1.00 33.11 N ATOM 653 CA LYS A 67 -4.225 -6.694 23.244 1.00 36.03 C ATOM 654 C LYS A 67 -5.198 -7.701 22.630 1.00 34.58 C ATOM 655 O LYS A 67 -5.003 -8.876 22.840 1.00 32.88 O ATOM 656 CB LYS A 67 -4.328 -6.661 24.766 1.00 40.43 C ATOM 657 CG LYS A 67 -3.242 -5.841 25.433 1.00 44.22 C ATOM 658 CD LYS A 67 -3.327 -5.798 26.928 1.00 48.47 C ATOM 659 CE LYS A 67 -2.000 -5.442 27.578 1.00 52.63 C ATOM 660 NZ LYS A 67 -2.040 -5.658 29.053 1.00 57.40 N ATOM 661 HZ1 LYS A 67 -2.783 -5.061 29.470 1.00 0.00 H ATOM 662 HZ2 LYS A 67 -2.247 -6.658 29.250 1.00 0.00 H ATOM 663 HZ3 LYS A 67 -1.119 -5.405 29.464 1.00 0.00 H ATOM 664 H LYS A 67 -5.167 -4.731 23.195 1.00 0.00 H ATOM 665 N GLU A 68 -6.186 -7.245 21.864 1.00 33.39 N ATOM 666 CA GLU A 68 -7.060 -8.154 21.088 1.00 36.68 C ATOM 667 C GLU A 68 -7.644 -7.394 19.909 1.00 34.91 C ATOM 668 O GLU A 68 -7.485 -6.175 19.801 1.00 34.63 O ATOM 669 CB GLU A 68 -8.125 -8.781 22.002 1.00 42.46 C ATOM 670 CG GLU A 68 -9.185 -7.810 22.458 1.00 47.10 C ATOM 671 CD GLU A 68 -8.689 -6.751 23.426 1.00 52.88 C ATOM 672 OE1 GLU A 68 -8.534 -7.080 24.622 1.00 60.47 O ATOM 673 OE2 GLU A 68 -8.428 -5.590 22.971 1.00 57.41 O ATOM 674 H GLU A 68 -6.349 -6.219 21.809 1.00 0.00 H ATOM 675 N PRO A 69 -8.274 -8.088 18.944 1.00 33.61 N ATOM 676 CA PRO A 69 -8.807 -7.414 17.778 1.00 32.77 C ATOM 677 C PRO A 69 -9.968 -6.528 18.199 1.00 32.57 C ATOM 678 O PRO A 69 -10.685 -6.845 19.142 1.00 33.62 O ATOM 679 CB PRO A 69 -9.276 -8.517 16.823 1.00 32.59 C ATOM 680 CG PRO A 69 -8.840 -9.828 17.471 1.00 34.10 C ATOM 681 CD PRO A 69 -8.502 -9.523 18.922 1.00 33.67 C ATOM 682 N PRO A 70 -10.217 -5.416 17.492 1.00 31.73 N ATOM 683 CA PRO A 70 -9.392 -5.013 16.352 1.00 31.48 C ATOM 684 C PRO A 70 -8.050 -4.373 16.765 1.00 31.23 C ATOM 685 O PRO A 70 -8.026 -3.594 17.690 1.00 30.11 O ATOM 686 CB PRO A 70 -10.299 -3.981 15.641 1.00 32.18 C ATOM 687 CG PRO A 70 -11.094 -3.362 16.764 1.00 32.35 C ATOM 688 CD PRO A 70 -11.353 -4.518 17.720 1.00 32.99 C ATOM 689 N TYR A 71 -6.966 -4.772 16.112 1.00 30.46 N ATOM 690 CA TYR A 71 -5.632 -4.141 16.239 1.00 28.59 C ATOM 691 C TYR A 71 -5.610 -2.899 15.359 1.00 28.74 C ATOM 692 O TYR A 71 -5.327 -3.006 14.145 1.00 27.22 O ATOM 693 CB TYR A 71 -4.527 -5.121 15.849 1.00 29.05 C ATOM 694 CG TYR A 71 -4.628 -6.471 16.505 1.00 28.74 C ATOM 695 CD1 TYR A 71 -4.370 -6.633 17.869 1.00 27.06 C ATOM 696 CD2 TYR A 71 -5.048 -7.576 15.785 1.00 28.39 C ATOM 697 CE1 TYR A 71 -4.477 -7.874 18.475 1.00 27.96 C ATOM 698 CE2 TYR A 71 -5.191 -8.818 16.388 1.00 27.56 C ATOM 699 CZ TYR A 71 -4.896 -8.972 17.734 1.00 26.90 C ATOM 700 OH TYR A 71 -4.988 -10.205 18.306 1.00 26.31 O ATOM 701 HH TYR A 71 -4.746 -10.142 19.264 1.00 0.00 H ATOM 702 H TYR A 71 -7.059 -5.583 15.467 1.00 0.00 H ATOM 703 N LYS A 72 -5.978 -1.761 15.923 1.00 30.48 N ATOM 704 CA LYS A 72 -6.133 -0.533 15.142 1.00 32.59 C ATOM 705 C LYS A 72 -6.029 0.700 16.042 1.00 33.44 C ATOM 706 O LYS A 72 -6.320 0.609 17.248 1.00 32.24 O ATOM 707 CB LYS A 72 -7.451 -0.569 14.382 1.00 33.08 C ATOM 708 CG LYS A 72 -8.651 -0.161 15.190 1.00 35.42 C ATOM 709 CD LYS A 72 -9.928 -0.112 14.404 1.00 36.74 C ATOM 710 CE LYS A 72 -11.100 0.267 15.296 1.00 36.90 C ATOM 711 NZ LYS A 72 -12.397 0.149 14.596 1.00 37.47 N ATOM 712 HZ1 LYS A 72 -12.402 0.780 13.770 1.00 0.00 H ATOM 713 HZ2 LYS A 72 -12.533 -0.834 14.284 1.00 0.00 H ATOM 714 HZ3 LYS A 72 -13.165 0.418 15.244 1.00 0.00 H ATOM 715 H LYS A 72 -6.162 -1.738 16.946 1.00 0.00 H ATOM 716 N VAL A 73 -5.587 1.799 15.454 1.00 32.66 N ATOM 717 CA VAL A 73 -5.602 3.157 16.069 1.00 35.96 C ATOM 718 C VAL A 73 -6.362 4.069 15.126 1.00 34.46 C ATOM 719 O VAL A 73 -6.146 3.969 13.892 1.00 32.35 O ATOM 720 CB VAL A 73 -4.178 3.676 16.334 1.00 36.73 C ATOM 721 CG1 VAL A 73 -4.195 5.042 17.004 1.00 39.50 C ATOM 722 CG2 VAL A 73 -3.374 2.683 17.163 1.00 38.36 C ATOM 723 H VAL A 73 -5.201 1.709 14.493 1.00 0.00 H ATOM 724 N GLU A 74 -7.323 4.798 15.661 1.00 35.66 N ATOM 725 CA GLU A 74 -8.061 5.848 14.932 1.00 37.66 C ATOM 726 C GLU A 74 -7.687 7.194 15.541 1.00 37.97 C ATOM 727 O GLU A 74 -7.782 7.328 16.757 1.00 34.41 O ATOM 728 CB GLU A 74 -9.564 5.591 14.997 1.00 39.34 C ATOM 729 CG GLU A 74 -9.982 4.385 14.192 1.00 43.78 C ATOM 730 CD GLU A 74 -11.373 3.867 14.502 1.00 49.64 C ATOM 731 OE1 GLU A 74 -11.715 3.736 15.720 1.00 50.69 O ATOM 732 OE2 GLU A 74 -12.123 3.611 13.539 1.00 58.66 O ATOM 733 H GLU A 74 -7.575 4.622 16.655 1.00 0.00 H ATOM 734 N GLU A 75 -7.229 8.121 14.723 1.00 35.27 N ATOM 735 CA GLU A 75 -6.714 9.423 15.200 1.00 37.40 C ATOM 736 C GLU A 75 -7.084 10.534 14.222 1.00 36.65 C ATOM 737 O GLU A 75 -7.512 10.249 13.097 1.00 33.71 O ATOM 738 CB GLU A 75 -5.194 9.353 15.408 1.00 35.97 C ATOM 739 CG GLU A 75 -4.795 9.087 16.833 1.00 36.56 C ATOM 740 CD GLU A 75 -5.209 10.157 17.812 1.00 40.33 C ATOM 741 OE1 GLU A 75 -5.698 11.222 17.355 1.00 42.32 O ATOM 742 OE2 GLU A 75 -5.033 9.935 19.037 1.00 41.56 O ATOM 743 H GLU A 75 -7.230 7.929 13.701 1.00 0.00 H ATOM 744 N SER A 76 -6.904 11.762 14.667 1.00 40.02 N ATOM 745 CA SER A 76 -6.805 12.963 13.816 1.00 39.82 C ATOM 746 C SER A 76 -5.358 13.448 13.856 1.00 38.46 C ATOM 747 O SER A 76 -4.629 13.049 14.801 1.00 39.26 O ATOM 748 CB SER A 76 -7.770 13.996 14.280 1.00 40.48 C ATOM 749 OG SER A 76 -7.581 14.254 15.656 1.00 41.75 O ATOM 750 HG SER A 76 -8.228 14.942 15.953 1.00 0.00 H ATOM 751 H SER A 76 -6.826 11.894 15.696 1.00 0.00 H ATOM 752 N GLY A 77 -4.916 14.162 12.823 1.00 36.61 N ATOM 753 CA GLY A 77 -3.533 14.658 12.718 1.00 36.06 C ATOM 754 C GLY A 77 -3.385 15.705 11.636 1.00 36.15 C ATOM 755 O GLY A 77 -4.333 15.901 10.855 1.00 35.39 O ATOM 756 H GLY A 77 -5.580 14.380 12.053 1.00 0.00 H ATOM 757 N TYR A 78 -2.215 16.312 11.541 1.00 37.84 N ATOM 758 CA TYR A 78 -1.917 17.365 10.541 1.00 39.68 C ATOM 759 C TYR A 78 -0.745 16.947 9.636 1.00 39.74 C ATOM 760 O TYR A 78 -0.371 17.766 8.773 1.00 42.51 O ATOM 761 CB TYR A 78 -1.657 18.713 11.221 1.00 42.47 C ATOM 762 CG TYR A 78 -0.775 18.675 12.439 1.00 42.79 C ATOM 763 CD1 TYR A 78 0.599 18.624 12.324 1.00 45.58 C ATOM 764 CD2 TYR A 78 -1.315 18.782 13.710 1.00 46.42 C ATOM 765 CE1 TYR A 78 1.418 18.627 13.442 1.00 48.46 C ATOM 766 CE2 TYR A 78 -0.514 18.813 14.839 1.00 47.43 C ATOM 767 CZ TYR A 78 0.859 18.723 14.705 1.00 48.71 C ATOM 768 OH TYR A 78 1.650 18.747 15.811 1.00 51.50 O ATOM 769 HH TYR A 78 1.510 19.598 16.297 1.00 0.00 H ATOM 770 H TYR A 78 -1.463 16.036 12.204 1.00 0.00 H ATOM 771 N ALA A 79 -0.189 15.737 9.805 1.00 35.28 N ATOM 772 CA ALA A 79 0.950 15.252 8.990 1.00 37.76 C ATOM 773 C ALA A 79 1.101 13.739 9.095 1.00 37.21 C ATOM 774 O ALA A 79 0.795 13.170 10.171 1.00 34.99 O ATOM 775 CB ALA A 79 2.237 15.957 9.401 1.00 39.96 C ATOM 776 H ALA A 79 -0.575 15.112 10.541 1.00 0.00 H ATOM 777 N GLY A 80 1.614 13.123 8.019 1.00 35.97 N ATOM 778 CA GLY A 80 2.086 11.737 8.006 1.00 34.06 C ATOM 779 C GLY A 80 3.348 11.602 8.810 1.00 33.36 C ATOM 780 O GLY A 80 3.919 12.625 9.163 1.00 35.90 O ATOM 781 H GLY A 80 1.681 13.667 7.135 1.00 0.00 H ATOM 782 N PHE A 81 3.723 10.382 9.144 1.00 34.05 N ATOM 783 CA PHE A 81 4.968 10.040 9.878 1.00 35.84 C ATOM 784 C PHE A 81 5.241 8.554 9.705 1.00 35.48 C ATOM 785 O PHE A 81 4.351 7.820 9.193 1.00 31.84 O ATOM 786 CB PHE A 81 4.859 10.389 11.370 1.00 34.93 C ATOM 787 CG PHE A 81 3.670 9.787 12.079 1.00 34.71 C ATOM 788 CD1 PHE A 81 2.436 10.420 12.064 1.00 34.54 C ATOM 789 CD2 PHE A 81 3.803 8.633 12.838 1.00 33.69 C ATOM 790 CE1 PHE A 81 1.351 9.871 12.740 1.00 33.25 C ATOM 791 CE2 PHE A 81 2.716 8.081 13.491 1.00 32.77 C ATOM 792 CZ PHE A 81 1.499 8.713 13.460 1.00 33.33 C ATOM 793 H PHE A 81 3.097 9.597 8.872 1.00 0.00 H ATOM 794 N ILE A 82 6.422 8.139 10.136 1.00 36.07 N ATOM 795 CA ILE A 82 6.864 6.727 10.195 1.00 36.44 C ATOM 796 C ILE A 82 6.443 6.160 11.534 1.00 36.47 C ATOM 797 O ILE A 82 6.851 6.740 12.600 1.00 34.21 O ATOM 798 CB ILE A 82 8.376 6.617 9.981 1.00 38.94 C ATOM 799 CG1 ILE A 82 8.803 7.255 8.656 1.00 42.00 C ATOM 800 CG2 ILE A 82 8.817 5.168 10.078 1.00 40.62 C ATOM 801 CD1 ILE A 82 7.964 6.831 7.472 1.00 42.78 C ATOM 802 H ILE A 82 7.094 8.864 10.459 1.00 0.00 H ATOM 803 N MET A 83 5.649 5.094 11.496 1.00 32.20 N ATOM 804 CA MET A 83 5.098 4.457 12.686 1.00 32.01 C ATOM 805 C MET A 83 5.739 3.090 12.857 1.00 33.19 C ATOM 806 O MET A 83 5.463 2.174 12.085 1.00 36.41 O ATOM 807 CB MET A 83 3.584 4.322 12.562 1.00 31.21 C ATOM 808 CG MET A 83 2.933 3.871 13.811 1.00 30.97 C ATOM 809 SD MET A 83 1.177 3.514 13.572 1.00 34.19 S ATOM 810 CE MET A 83 0.541 5.177 13.348 1.00 32.93 C ATOM 811 H MET A 83 5.408 4.693 10.567 1.00 0.00 H ATOM 812 N PRO A 84 6.612 2.905 13.879 1.00 34.14 N ATOM 813 CA PRO A 84 6.937 1.571 14.356 1.00 32.71 C ATOM 814 C PRO A 84 5.648 0.866 14.797 1.00 33.65 C ATOM 815 O PRO A 84 4.893 1.450 15.559 1.00 30.38 O ATOM 816 CB PRO A 84 7.920 1.800 15.524 1.00 34.82 C ATOM 817 CG PRO A 84 8.523 3.186 15.226 1.00 36.16 C ATOM 818 CD PRO A 84 7.391 3.959 14.561 1.00 34.59 C ATOM 819 N ILE A 85 5.415 -0.341 14.264 1.00 32.50 N ATOM 820 CA ILE A 85 4.325 -1.251 14.686 1.00 33.61 C ATOM 821 C ILE A 85 4.954 -2.563 15.114 1.00 34.11 C ATOM 822 O ILE A 85 5.648 -3.197 14.276 1.00 33.13 O ATOM 823 CB ILE A 85 3.287 -1.450 13.569 1.00 34.28 C ATOM 824 CG1 ILE A 85 2.698 -0.116 13.105 1.00 34.21 C ATOM 825 CG2 ILE A 85 2.198 -2.408 14.021 1.00 35.16 C ATOM 826 CD1 ILE A 85 1.847 -0.221 11.858 1.00 32.55 C ATOM 827 H ILE A 85 6.044 -0.662 13.500 1.00 0.00 H ATOM 828 N GLU A 86 4.771 -2.925 16.378 1.00 30.23 N ATOM 829 CA GLU A 86 5.307 -4.168 16.948 1.00 32.61 C ATOM 830 C GLU A 86 4.170 -5.159 17.073 1.00 30.59 C ATOM 831 O GLU A 86 3.173 -4.852 17.772 1.00 33.32 O ATOM 832 CB GLU A 86 5.958 -3.912 18.301 1.00 33.82 C ATOM 833 CG GLU A 86 7.217 -3.105 18.213 1.00 37.48 C ATOM 834 CD GLU A 86 7.913 -2.977 19.549 1.00 41.88 C ATOM 835 OE1 GLU A 86 7.278 -2.482 20.483 1.00 46.21 O ATOM 836 OE2 GLU A 86 9.028 -3.482 19.675 1.00 44.53 O ATOM 837 H GLU A 86 4.220 -2.296 16.996 1.00 0.00 H ATOM 838 N VAL A 87 4.328 -6.312 16.470 1.00 29.40 N ATOM 839 CA VAL A 87 3.400 -7.456 16.632 1.00 30.04 C ATOM 840 C VAL A 87 4.086 -8.463 17.548 1.00 31.97 C ATOM 841 O VAL A 87 5.149 -8.951 17.164 1.00 32.06 O ATOM 842 CB VAL A 87 3.021 -8.035 15.265 1.00 29.08 C ATOM 843 CG1 VAL A 87 1.992 -9.142 15.382 1.00 31.06 C ATOM 844 CG2 VAL A 87 2.536 -6.936 14.318 1.00 29.13 C ATOM 845 H VAL A 87 5.150 -6.431 15.844 1.00 0.00 H ATOM 846 N HIS A 88 3.574 -8.627 18.768 1.00 30.25 N ATOM 847 CA HIS A 88 4.101 -9.572 19.784 1.00 31.71 C ATOM 848 C HIS A 88 3.427 -10.919 19.609 1.00 31.28 C ATOM 849 O HIS A 88 2.189 -10.938 19.364 1.00 31.77 O ATOM 850 CB HIS A 88 3.882 -9.026 21.188 1.00 32.40 C ATOM 851 CG HIS A 88 4.637 -7.784 21.445 1.00 33.63 C ATOM 852 ND1 HIS A 88 5.769 -7.760 22.235 1.00 36.17 N ATOM 853 CD2 HIS A 88 4.435 -6.513 21.026 1.00 35.82 C ATOM 854 CE1 HIS A 88 6.263 -6.526 22.249 1.00 35.38 C ATOM 855 NE2 HIS A 88 5.463 -5.750 21.519 1.00 36.38 N ATOM 856 H HIS A 88 2.747 -8.052 19.026 1.00 0.00 H ATOM 857 N PHE A 89 4.184 -12.003 19.745 1.00 31.26 N ATOM 858 CA PHE A 89 3.687 -13.385 19.529 1.00 32.12 C ATOM 859 C PHE A 89 3.361 -14.045 20.873 1.00 32.66 C ATOM 860 O PHE A 89 4.015 -13.755 21.848 1.00 33.15 O ATOM 861 CB PHE A 89 4.713 -14.178 18.727 1.00 32.35 C ATOM 862 CG PHE A 89 5.113 -13.506 17.440 1.00 31.14 C ATOM 863 CD1 PHE A 89 4.148 -12.974 16.588 1.00 31.50 C ATOM 864 CD2 PHE A 89 6.434 -13.451 17.051 1.00 29.75 C ATOM 865 CE1 PHE A 89 4.518 -12.351 15.398 1.00 30.81 C ATOM 866 CE2 PHE A 89 6.795 -12.828 15.865 1.00 31.80 C ATOM 867 CZ PHE A 89 5.832 -12.309 15.027 1.00 30.23 C ATOM 868 H PHE A 89 5.180 -11.876 20.018 1.00 0.00 H ATOM 869 N LYS A 90 2.399 -14.968 20.877 1.00 33.57 N ATOM 870 CA LYS A 90 2.179 -15.940 21.990 1.00 35.36 C ATOM 871 C LYS A 90 3.176 -17.108 21.857 1.00 35.69 C ATOM 872 O LYS A 90 2.736 -18.289 21.792 1.00 40.86 O ATOM 873 CB LYS A 90 0.733 -16.413 21.982 1.00 34.60 C ATOM 874 CG LYS A 90 -0.289 -15.326 22.264 1.00 35.61 C ATOM 875 CD LYS A 90 -1.705 -15.790 22.034 1.00 34.85 C ATOM 876 CE LYS A 90 -2.743 -14.760 22.408 1.00 34.28 C ATOM 877 NZ LYS A 90 -4.102 -15.230 22.051 1.00 34.53 N ATOM 878 HZ1 LYS A 90 -4.151 -15.400 21.026 1.00 0.00 H ATOM 879 HZ2 LYS A 90 -4.307 -16.114 22.560 1.00 0.00 H ATOM 880 HZ3 LYS A 90 -4.799 -14.506 22.317 1.00 0.00 H ATOM 881 H LYS A 90 1.763 -15.014 20.055 1.00 0.00 H ATOM 882 N ASN A 91 4.462 -16.780 21.822 1.00 38.03 N ATOM 883 CA ASN A 91 5.601 -17.712 21.601 1.00 40.57 C ATOM 884 C ASN A 91 6.439 -17.723 22.880 1.00 40.13 C ATOM 885 O ASN A 91 6.697 -16.655 23.407 1.00 43.03 O ATOM 886 CB ASN A 91 6.440 -17.279 20.382 1.00 38.51 C ATOM 887 CG ASN A 91 7.420 -18.337 19.911 1.00 42.16 C ATOM 888 OD1 ASN A 91 7.447 -19.455 20.436 1.00 44.58 O ATOM 889 ND2 ASN A 91 8.228 -18.000 18.911 1.00 40.90 N ATOM 890 HD22 ASN A 91 8.173 -17.048 18.497 1.00 0.00 H ATOM 891 HD21 ASN A 91 8.915 -18.689 18.543 1.00 0.00 H ATOM 892 H ASN A 91 4.696 -15.776 21.962 1.00 0.00 H ATOM 893 N LYS A 92 6.865 -18.874 23.355 1.00 44.67 N ATOM 894 CA LYS A 92 7.685 -18.938 24.598 1.00 49.23 C ATOM 895 C LYS A 92 9.183 -18.811 24.249 1.00 47.45 C ATOM 896 O LYS A 92 9.974 -18.539 25.175 1.00 47.95 O ATOM 897 CB LYS A 92 7.358 -20.206 25.383 1.00 55.00 C ATOM 898 CG LYS A 92 5.961 -20.225 25.976 1.00 59.49 C ATOM 899 CD LYS A 92 5.665 -21.467 26.792 1.00 65.99 C ATOM 900 CE LYS A 92 4.246 -21.500 27.328 1.00 69.30 C ATOM 901 NZ LYS A 92 3.877 -22.852 27.820 1.00 73.23 N ATOM 902 HZ1 LYS A 92 3.949 -23.535 27.039 1.00 0.00 H ATOM 903 HZ2 LYS A 92 4.524 -23.129 28.586 1.00 0.00 H ATOM 904 HZ3 LYS A 92 2.901 -22.835 28.178 1.00 0.00 H ATOM 905 H LYS A 92 6.625 -19.754 22.855 1.00 0.00 H ATOM 906 N GLU A 93 9.557 -18.927 22.965 1.00 42.44 N ATOM 907 CA GLU A 93 10.977 -18.771 22.532 1.00 44.60 C ATOM 908 C GLU A 93 11.069 -17.690 21.439 1.00 40.82 C ATOM 909 O GLU A 93 10.048 -17.016 21.160 1.00 41.77 O ATOM 910 CB GLU A 93 11.553 -20.132 22.105 1.00 47.28 C ATOM 911 CG GLU A 93 10.975 -20.677 20.806 1.00 48.48 C ATOM 912 CD GLU A 93 11.572 -22.009 20.323 1.00 48.79 C ATOM 913 OE1 GLU A 93 12.053 -22.796 21.167 1.00 47.69 O ATOM 914 OE2 GLU A 93 11.502 -22.276 19.097 1.00 48.41 O ATOM 915 H GLU A 93 8.833 -19.133 22.247 1.00 0.00 H ATOM 916 N GLU A 94 12.247 -17.503 20.871 1.00 38.36 N ATOM 917 CA GLU A 94 12.513 -16.491 19.814 1.00 38.29 C ATOM 918 C GLU A 94 11.959 -16.999 18.496 1.00 36.12 C ATOM 919 O GLU A 94 11.883 -18.197 18.289 1.00 37.53 O ATOM 920 CB GLU A 94 14.001 -16.205 19.714 1.00 38.09 C ATOM 921 CG GLU A 94 14.537 -15.550 20.956 1.00 41.28 C ATOM 922 CD GLU A 94 15.975 -15.111 20.870 1.00 42.24 C ATOM 923 OE1 GLU A 94 16.646 -15.470 19.863 1.00 40.51 O ATOM 924 OE2 GLU A 94 16.429 -14.405 21.816 1.00 43.86 O ATOM 925 H GLU A 94 13.038 -18.101 21.183 1.00 0.00 H ATOM 926 N PRO A 95 11.456 -16.105 17.621 1.00 37.40 N ATOM 927 CA PRO A 95 11.297 -14.687 17.957 1.00 36.01 C ATOM 928 C PRO A 95 9.991 -14.419 18.730 1.00 34.26 C ATOM 929 O PRO A 95 9.032 -15.129 18.545 1.00 33.06 O ATOM 930 CB PRO A 95 11.280 -14.022 16.580 1.00 34.57 C ATOM 931 CG PRO A 95 10.639 -15.055 15.680 1.00 34.11 C ATOM 932 CD PRO A 95 10.977 -16.410 16.276 1.00 35.32 C ATOM 933 N ARG A 96 10.007 -13.414 19.588 1.00 35.68 N ATOM 934 CA ARG A 96 8.895 -13.069 20.504 1.00 37.10 C ATOM 935 C ARG A 96 8.013 -12.024 19.853 1.00 34.00 C ATOM 936 O ARG A 96 6.874 -11.891 20.276 1.00 33.90 O ATOM 937 CB ARG A 96 9.454 -12.560 21.826 1.00 42.13 C ATOM 938 CG ARG A 96 10.485 -13.491 22.434 1.00 48.98 C ATOM 939 CD ARG A 96 9.825 -14.773 22.865 1.00 53.96 C ATOM 940 NE ARG A 96 8.672 -14.464 23.669 1.00 59.62 N ATOM 941 CZ ARG A 96 8.728 -14.023 24.915 1.00 69.24 C ATOM 942 NH1 ARG A 96 7.608 -13.732 25.558 1.00 74.87 N ATOM 943 NH2 ARG A 96 9.898 -13.900 25.530 1.00 70.05 N ATOM 944 HE ARG A 96 7.733 -14.596 23.242 1.00 0.00 H ATOM 945 HH12 ARG A 96 7.646 -13.385 26.538 1.00 0.00 H ATOM 946 HH11 ARG A 96 6.690 -13.850 25.083 1.00 0.00 H ATOM 947 HH22 ARG A 96 9.937 -13.553 26.510 1.00 0.00 H ATOM 948 HH21 ARG A 96 10.776 -14.151 25.032 1.00 0.00 H ATOM 949 H ARG A 96 10.862 -12.823 19.623 1.00 0.00 H ATOM 950 N LYS A 97 8.531 -11.314 18.858 1.00 33.88 N ATOM 951 CA LYS A 97 7.821 -10.194 18.196 1.00 33.43 C ATOM 952 C LYS A 97 8.507 -9.848 16.875 1.00 35.35 C ATOM 953 O LYS A 97 9.646 -10.264 16.666 1.00 34.65 O ATOM 954 CB LYS A 97 7.837 -8.967 19.094 1.00 35.93 C ATOM 955 CG LYS A 97 9.228 -8.345 19.261 1.00 36.58 C ATOM 956 CD LYS A 97 9.218 -7.079 20.037 1.00 40.59 C ATOM 957 CE LYS A 97 10.598 -6.523 20.288 1.00 46.12 C ATOM 958 NZ LYS A 97 10.555 -5.484 21.346 1.00 53.03 N ATOM 959 HZ1 LYS A 97 9.928 -4.711 21.045 1.00 0.00 H ATOM 960 HZ2 LYS A 97 10.193 -5.903 22.227 1.00 0.00 H ATOM 961 HZ3 LYS A 97 11.513 -5.113 21.505 1.00 0.00 H ATOM 962 H LYS A 97 9.486 -11.557 18.525 1.00 0.00 H ATOM 963 N VAL A 98 7.849 -9.055 16.059 1.00 34.17 N ATOM 964 CA VAL A 98 8.434 -8.462 14.830 1.00 37.27 C ATOM 965 C VAL A 98 8.062 -6.975 14.826 1.00 36.52 C ATOM 966 O VAL A 98 7.006 -6.638 15.382 1.00 33.63 O ATOM 967 CB VAL A 98 7.943 -9.216 13.579 1.00 36.76 C ATOM 968 CG1 VAL A 98 6.427 -9.131 13.423 1.00 38.79 C ATOM 969 CG2 VAL A 98 8.639 -8.759 12.311 1.00 39.26 C ATOM 970 H VAL A 98 6.860 -8.830 16.288 1.00 0.00 H ATOM 971 N CYS A 99 8.971 -6.110 14.382 1.00 37.32 N ATOM 972 CA CYS A 99 8.733 -4.649 14.252 1.00 40.19 C ATOM 973 C CYS A 99 8.682 -4.299 12.784 1.00 38.73 C ATOM 974 O CYS A 99 9.473 -4.850 12.024 1.00 43.08 O ATOM 975 CB CYS A 99 9.794 -3.795 14.947 1.00 45.80 C ATOM 976 SG CYS A 99 9.339 -2.026 15.044 1.00 51.35 S ATOM 977 H CYS A 99 9.904 -6.479 14.110 1.00 0.00 H ATOM 978 N PHE A 100 7.634 -3.619 12.397 1.00 36.80 N ATOM 979 CA PHE A 100 7.447 -3.039 11.059 1.00 36.36 C ATOM 980 C PHE A 100 7.631 -1.543 11.179 1.00 36.77 C ATOM 981 O PHE A 100 7.306 -0.986 12.236 1.00 43.32 O ATOM 982 CB PHE A 100 6.068 -3.411 10.515 1.00 34.22 C ATOM 983 CG PHE A 100 5.855 -4.897 10.352 1.00 32.16 C ATOM 984 CD1 PHE A 100 6.506 -5.594 9.355 1.00 34.33 C ATOM 985 CD2 PHE A 100 4.994 -5.589 11.181 1.00 33.30 C ATOM 986 CE1 PHE A 100 6.303 -6.961 9.184 1.00 36.19 C ATOM 987 CE2 PHE A 100 4.791 -6.953 11.011 1.00 34.64 C ATOM 988 CZ PHE A 100 5.463 -7.638 10.025 1.00 34.57 C ATOM 989 H PHE A 100 6.872 -3.477 13.091 1.00 0.00 H ATOM 990 N THR A 101 8.150 -0.930 10.140 1.00 33.46 N ATOM 991 CA THR A 101 8.264 0.527 10.003 1.00 37.04 C ATOM 992 C THR A 101 7.205 0.979 9.003 1.00 33.41 C ATOM 993 O THR A 101 7.351 0.641 7.825 1.00 32.67 O ATOM 994 CB THR A 101 9.715 0.892 9.665 1.00 37.97 C ATOM 995 OG1 THR A 101 10.437 0.618 10.871 1.00 41.16 O ATOM 996 CG2 THR A 101 9.897 2.334 9.271 1.00 42.93 C ATOM 997 HG1 THR A 101 11.395 0.830 10.736 1.00 0.00 H ATOM 998 H THR A 101 8.505 -1.518 9.359 1.00 0.00 H ATOM 999 N TYR A 102 6.071 1.475 9.504 1.00 31.30 N ATOM 1000 CA TYR A 102 4.879 1.720 8.683 1.00 31.40 C ATOM 1001 C TYR A 102 4.869 3.185 8.231 1.00 34.27 C ATOM 1002 O TYR A 102 5.016 4.113 9.060 1.00 31.64 O ATOM 1003 CB TYR A 102 3.587 1.284 9.370 1.00 29.52 C ATOM 1004 CG TYR A 102 2.434 1.279 8.409 1.00 30.43 C ATOM 1005 CD1 TYR A 102 2.184 0.181 7.606 1.00 30.67 C ATOM 1006 CD2 TYR A 102 1.715 2.435 8.159 1.00 30.14 C ATOM 1007 CE1 TYR A 102 1.191 0.207 6.642 1.00 30.56 C ATOM 1008 CE2 TYR A 102 0.744 2.490 7.175 1.00 29.47 C ATOM 1009 CZ TYR A 102 0.469 1.366 6.426 1.00 29.68 C ATOM 1010 OH TYR A 102 -0.507 1.404 5.470 1.00 31.99 O ATOM 1011 HH TYR A 102 -0.280 2.092 4.796 1.00 0.00 H ATOM 1012 H TYR A 102 6.031 1.697 10.519 1.00 0.00 H ATOM 1013 N ASP A 103 4.728 3.362 6.926 1.00 32.10 N ATOM 1014 CA ASP A 103 4.633 4.668 6.256 1.00 34.21 C ATOM 1015 C ASP A 103 3.179 5.172 6.352 1.00 34.07 C ATOM 1016 O ASP A 103 2.385 4.879 5.447 1.00 33.87 O ATOM 1017 CB ASP A 103 5.135 4.541 4.812 1.00 37.09 C ATOM 1018 CG ASP A 103 5.157 5.865 4.079 1.00 40.39 C ATOM 1019 OD1 ASP A 103 4.784 6.871 4.702 1.00 39.98 O ATOM 1020 OD2 ASP A 103 5.487 5.868 2.870 1.00 49.58 O ATOM 1021 H ASP A 103 4.681 2.512 6.329 1.00 0.00 H ATOM 1022 N LEU A 104 2.838 5.889 7.422 1.00 32.71 N ATOM 1023 CA LEU A 104 1.518 6.546 7.563 1.00 32.48 C ATOM 1024 C LEU A 104 1.558 7.901 6.868 1.00 32.52 C ATOM 1025 O LEU A 104 1.823 8.899 7.545 1.00 32.94 O ATOM 1026 CB LEU A 104 1.150 6.724 9.030 1.00 32.67 C ATOM 1027 CG LEU A 104 -0.294 7.169 9.249 1.00 36.82 C ATOM 1028 CD1 LEU A 104 -1.193 5.967 9.486 1.00 40.66 C ATOM 1029 CD2 LEU A 104 -0.396 8.147 10.386 1.00 41.35 C ATOM 1030 H LEU A 104 3.529 5.992 8.192 1.00 0.00 H ATOM 1031 N PHE A 105 1.203 7.938 5.603 1.00 31.46 N ATOM 1032 CA PHE A 105 1.111 9.173 4.805 1.00 35.12 C ATOM 1033 C PHE A 105 -0.369 9.552 4.663 1.00 36.01 C ATOM 1034 O PHE A 105 -1.233 8.660 4.707 1.00 37.55 O ATOM 1035 CB PHE A 105 1.826 8.977 3.474 1.00 35.11 C ATOM 1036 CG PHE A 105 1.169 7.988 2.555 1.00 36.73 C ATOM 1037 CD1 PHE A 105 1.497 6.655 2.606 1.00 38.21 C ATOM 1038 CD2 PHE A 105 0.217 8.400 1.629 1.00 42.75 C ATOM 1039 CE1 PHE A 105 0.909 5.745 1.745 1.00 40.57 C ATOM 1040 CE2 PHE A 105 -0.390 7.480 0.782 1.00 42.07 C ATOM 1041 CZ PHE A 105 -0.035 6.159 0.840 1.00 43.00 C ATOM 1042 H PHE A 105 0.972 7.038 5.136 1.00 0.00 H ATOM 1043 N LEU A 106 -0.646 10.846 4.546 1.00 37.67 N ATOM 1044 CA LEU A 106 -2.015 11.398 4.370 1.00 38.30 C ATOM 1045 C LEU A 106 -2.241 11.781 2.899 1.00 38.90 C ATOM 1046 O LEU A 106 -1.248 11.951 2.160 1.00 42.29 O ATOM 1047 CB LEU A 106 -2.165 12.608 5.287 1.00 39.43 C ATOM 1048 CG LEU A 106 -1.753 12.390 6.744 1.00 40.18 C ATOM 1049 CD1 LEU A 106 -2.008 13.642 7.565 1.00 40.93 C ATOM 1050 CD2 LEU A 106 -2.482 11.206 7.350 1.00 40.49 C ATOM 1051 H LEU A 106 0.148 11.517 4.580 1.00 0.00 H ATOM 1052 N ASN A 107 -3.494 11.964 2.509 1.00 38.94 N ATOM 1053 CA ASN A 107 -3.874 12.503 1.173 1.00 41.12 C ATOM 1054 C ASN A 107 -3.784 14.042 1.229 1.00 43.02 C ATOM 1055 O ASN A 107 -4.596 14.682 1.970 1.00 39.52 O ATOM 1056 CB ASN A 107 -5.253 11.995 0.730 1.00 40.46 C ATOM 1057 CG ASN A 107 -6.366 12.325 1.709 1.00 40.71 C ATOM 1058 OD1 ASN A 107 -6.215 12.138 2.925 1.00 38.24 O ATOM 1059 ND2 ASN A 107 -7.490 12.814 1.192 1.00 38.18 N ATOM 1060 HD22 ASN A 107 -7.572 12.954 0.165 1.00 0.00 H ATOM 1061 HD21 ASN A 107 -8.287 13.056 1.815 1.00 0.00 H ATOM 1062 H ASN A 107 -4.255 11.717 3.173 1.00 0.00 H ATOM 1063 N LEU A 108 -2.788 14.609 0.571 1.00 46.03 N ATOM 1064 CA LEU A 108 -2.550 16.075 0.546 1.00 51.45 C ATOM 1065 C LEU A 108 -3.100 16.640 -0.759 1.00 54.66 C ATOM 1066 O LEU A 108 -3.431 15.841 -1.629 1.00 54.06 O ATOM 1067 CB LEU A 108 -1.048 16.337 0.709 1.00 54.94 C ATOM 1068 CG LEU A 108 -0.412 15.649 1.924 1.00 55.69 C ATOM 1069 CD1 LEU A 108 1.046 16.061 2.094 1.00 57.98 C ATOM 1070 CD2 LEU A 108 -1.206 15.952 3.196 1.00 54.82 C ATOM 1071 H LEU A 108 -2.136 13.996 0.042 1.00 0.00 H ATOM 1072 N GLU A 109 -3.332 17.962 -0.797 1.00 60.39 N ATOM 1073 CA GLU A 109 -3.613 18.765 -2.023 1.00 64.80 C ATOM 1074 C GLU A 109 -4.919 18.284 -2.682 1.00 63.81 C ATOM 1075 O GLU A 109 -4.957 18.198 -3.926 1.00 66.52 O ATOM 1076 CB GLU A 109 -2.422 18.683 -2.984 1.00 68.81 C ATOM 1077 CG GLU A 109 -2.336 19.854 -3.961 1.00 74.57 C ATOM 1078 CD GLU A 109 -2.453 21.247 -3.345 1.00 77.63 C ATOM 1079 OE1 GLU A 109 -2.009 21.430 -2.188 1.00 79.18 O ATOM 1080 OE2 GLU A 109 -3.003 22.149 -4.022 1.00 79.28 O ATOM 1081 H GLU A 109 -3.314 18.472 0.109 1.00 0.00 H ATOM 1082 N GLY A 110 -5.956 18.027 -1.877 1.00 58.94 N ATOM 1083 CA GLY A 110 -7.298 17.623 -2.345 1.00 59.04 C ATOM 1084 C GLY A 110 -7.289 16.312 -3.135 1.00 59.33 C ATOM 1085 O GLY A 110 -8.197 16.124 -3.970 1.00 59.79 O ATOM 1086 H GLY A 110 -5.807 18.118 -0.852 1.00 0.00 H ATOM 1087 N ASN A 111 -6.346 15.409 -2.851 1.00 55.58 N ATOM 1088 CA ASN A 111 -6.334 14.031 -3.421 1.00 53.67 C ATOM 1089 C ASN A 111 -7.368 13.179 -2.695 1.00 51.75 C ATOM 1090 O ASN A 111 -7.665 13.409 -1.522 1.00 51.87 O ATOM 1091 CB ASN A 111 -4.946 13.391 -3.355 1.00 51.95 C ATOM 1092 CG ASN A 111 -3.994 13.972 -4.375 1.00 52.47 C ATOM 1093 OD1 ASN A 111 -4.421 14.507 -5.400 1.00 56.01 O ATOM 1094 ND2 ASN A 111 -2.711 13.894 -4.098 1.00 50.81 N ATOM 1095 HD22 ASN A 111 -2.396 13.433 -3.221 1.00 0.00 H ATOM 1096 HD21 ASN A 111 -2.012 14.293 -4.756 1.00 0.00 H ATOM 1097 H ASN A 111 -5.582 15.681 -2.200 1.00 0.00 H ATOM 1098 N PRO A 112 -7.951 12.170 -3.366 1.00 49.96 N ATOM 1099 CA PRO A 112 -8.956 11.330 -2.732 1.00 49.93 C ATOM 1100 C PRO A 112 -8.382 10.592 -1.526 1.00 47.11 C ATOM 1101 O PRO A 112 -7.168 10.580 -1.309 1.00 42.86 O ATOM 1102 CB PRO A 112 -9.399 10.355 -3.831 1.00 51.67 C ATOM 1103 CG PRO A 112 -8.272 10.416 -4.869 1.00 53.51 C ATOM 1104 CD PRO A 112 -7.719 11.824 -4.772 1.00 51.93 C ATOM 1105 N PRO A 113 -9.257 10.041 -0.660 1.00 45.48 N ATOM 1106 CA PRO A 113 -8.819 9.333 0.538 1.00 43.32 C ATOM 1107 C PRO A 113 -7.743 8.268 0.244 1.00 43.18 C ATOM 1108 O PRO A 113 -7.690 7.758 -0.869 1.00 40.93 O ATOM 1109 CB PRO A 113 -10.110 8.680 1.062 1.00 44.24 C ATOM 1110 CG PRO A 113 -11.220 9.599 0.554 1.00 46.45 C ATOM 1111 CD PRO A 113 -10.717 10.127 -0.775 1.00 46.07 C ATOM 1112 N VAL A 114 -6.862 8.030 1.215 1.00 40.76 N ATOM 1113 CA VAL A 114 -5.858 6.931 1.181 1.00 40.87 C ATOM 1114 C VAL A 114 -6.519 5.675 1.721 1.00 37.36 C ATOM 1115 O VAL A 114 -7.224 5.764 2.727 1.00 37.28 O ATOM 1116 CB VAL A 114 -4.596 7.287 1.994 1.00 44.60 C ATOM 1117 CG1 VAL A 114 -3.736 6.053 2.266 1.00 43.46 C ATOM 1118 CG2 VAL A 114 -3.789 8.378 1.307 1.00 45.20 C ATOM 1119 H VAL A 114 -6.877 8.651 2.049 1.00 0.00 H ATOM 1120 N ASN A 115 -6.340 4.566 1.035 1.00 37.66 N ATOM 1121 CA ASN A 115 -6.795 3.231 1.486 1.00 36.60 C ATOM 1122 C ASN A 115 -5.736 2.214 1.047 1.00 34.62 C ATOM 1123 O ASN A 115 -5.770 1.784 -0.134 1.00 32.47 O ATOM 1124 CB ASN A 115 -8.219 2.943 0.981 1.00 37.45 C ATOM 1125 CG ASN A 115 -8.875 1.752 1.656 1.00 39.19 C ATOM 1126 OD1 ASN A 115 -8.303 1.140 2.564 1.00 37.00 O ATOM 1127 ND2 ASN A 115 -10.040 1.363 1.162 1.00 41.39 N ATOM 1128 HD22 ASN A 115 -10.488 1.907 0.397 1.00 0.00 H ATOM 1129 HD21 ASN A 115 -10.507 0.514 1.539 1.00 0.00 H ATOM 1130 H ASN A 115 -5.849 4.631 0.120 1.00 0.00 H ATOM 1131 N HIS A 116 -4.736 1.986 1.900 1.00 33.52 N ATOM 1132 CA HIS A 116 -3.505 1.215 1.568 1.00 34.94 C ATOM 1133 C HIS A 116 -3.438 -0.047 2.401 1.00 32.47 C ATOM 1134 O HIS A 116 -3.789 -0.011 3.620 1.00 29.63 O ATOM 1135 CB HIS A 116 -2.212 2.060 1.725 1.00 36.69 C ATOM 1136 CG HIS A 116 -1.878 2.836 0.490 1.00 41.68 C ATOM 1137 ND1 HIS A 116 -0.764 2.540 -0.296 1.00 42.28 N ATOM 1138 CD2 HIS A 116 -2.593 3.786 -0.190 1.00 39.52 C ATOM 1139 CE1 HIS A 116 -0.738 3.369 -1.334 1.00 44.37 C ATOM 1140 NE2 HIS A 116 -1.873 4.132 -1.299 1.00 43.38 N ATOM 1141 H HIS A 116 -4.821 2.373 2.862 1.00 0.00 H ATOM 1142 N LEU A 117 -2.925 -1.089 1.785 1.00 31.87 N ATOM 1143 CA LEU A 117 -2.679 -2.383 2.409 1.00 33.56 C ATOM 1144 C LEU A 117 -1.245 -2.799 2.098 1.00 32.66 C ATOM 1145 O LEU A 117 -0.787 -2.613 0.961 1.00 32.50 O ATOM 1146 CB LEU A 117 -3.693 -3.398 1.878 1.00 34.46 C ATOM 1147 CG LEU A 117 -3.954 -4.591 2.796 1.00 36.41 C ATOM 1148 CD1 LEU A 117 -4.780 -4.165 4.015 1.00 37.22 C ATOM 1149 CD2 LEU A 117 -4.649 -5.712 2.040 1.00 37.98 C ATOM 1150 H LEU A 117 -2.677 -0.982 0.781 1.00 0.00 H ATOM 1151 N ARG A 118 -0.575 -3.300 3.090 1.00 30.97 N ATOM 1152 CA ARG A 118 0.785 -3.849 2.999 1.00 32.53 C ATOM 1153 C ARG A 118 0.739 -5.280 3.528 1.00 31.92 C ATOM 1154 O ARG A 118 0.350 -5.487 4.714 1.00 31.83 O ATOM 1155 CB ARG A 118 1.723 -2.929 3.780 1.00 34.48 C ATOM 1156 CG ARG A 118 3.043 -3.553 4.183 1.00 35.55 C ATOM 1157 CD ARG A 118 3.844 -2.581 5.005 1.00 33.66 C ATOM 1158 NE ARG A 118 5.053 -3.198 5.500 1.00 34.37 N ATOM 1159 CZ ARG A 118 5.987 -2.569 6.188 1.00 32.66 C ATOM 1160 NH1 ARG A 118 5.864 -1.281 6.465 1.00 32.08 N ATOM 1161 NH2 ARG A 118 7.022 -3.238 6.626 1.00 35.60 N ATOM 1162 HE ARG A 118 5.197 -4.208 5.300 1.00 0.00 H ATOM 1163 HH12 ARG A 118 6.605 -0.793 7.008 1.00 0.00 H ATOM 1164 HH11 ARG A 118 5.027 -0.757 6.140 1.00 0.00 H ATOM 1165 HH22 ARG A 118 7.764 -2.752 7.169 1.00 0.00 H ATOM 1166 HH21 ARG A 118 7.103 -4.256 6.431 1.00 0.00 H ATOM 1167 H ARG A 118 -1.036 -3.314 4.022 1.00 0.00 H ATOM 1168 N CYS A 119 0.997 -6.234 2.670 1.00 32.53 N ATOM 1169 CA CYS A 119 0.862 -7.671 2.978 1.00 35.16 C ATOM 1170 C CYS A 119 2.222 -8.232 3.382 1.00 35.36 C ATOM 1171 O CYS A 119 3.176 -8.049 2.641 1.00 38.84 O ATOM 1172 CB CYS A 119 0.258 -8.406 1.800 1.00 36.05 C ATOM 1173 SG CYS A 119 -1.447 -7.881 1.464 1.00 39.15 S ATOM 1174 H CYS A 119 1.315 -5.964 1.717 1.00 0.00 H ATOM 1175 N GLU A 120 2.294 -8.811 4.569 1.00 35.34 N ATOM 1176 CA GLU A 120 3.532 -9.363 5.163 1.00 34.49 C ATOM 1177 C GLU A 120 3.350 -10.867 5.358 1.00 36.40 C ATOM 1178 O GLU A 120 2.331 -11.259 5.945 1.00 35.05 O ATOM 1179 CB GLU A 120 3.821 -8.671 6.491 1.00 32.87 C ATOM 1180 CG GLU A 120 4.193 -7.208 6.333 1.00 34.48 C ATOM 1181 CD GLU A 120 5.481 -6.941 5.573 1.00 36.47 C ATOM 1182 OE1 GLU A 120 6.342 -7.849 5.495 1.00 36.06 O ATOM 1183 OE2 GLU A 120 5.634 -5.827 5.086 1.00 38.88 O ATOM 1184 H GLU A 120 1.418 -8.884 5.125 1.00 0.00 H ATOM 1185 N LYS A 121 4.317 -11.662 4.899 1.00 36.14 N ATOM 1186 CA LYS A 121 4.447 -13.097 5.224 1.00 37.92 C ATOM 1187 C LYS A 121 5.443 -13.256 6.367 1.00 36.61 C ATOM 1188 O LYS A 121 6.587 -12.791 6.219 1.00 37.42 O ATOM 1189 CB LYS A 121 4.950 -13.889 4.021 1.00 41.86 C ATOM 1190 CG LYS A 121 3.995 -14.008 2.858 1.00 48.06 C ATOM 1191 CD LYS A 121 4.428 -15.090 1.875 1.00 55.29 C ATOM 1192 CE LYS A 121 3.745 -14.989 0.529 1.00 59.37 C ATOM 1193 NZ LYS A 121 4.176 -16.084 -0.374 1.00 63.81 N ATOM 1194 HZ1 LYS A 121 5.204 -16.028 -0.518 1.00 0.00 H ATOM 1195 HZ2 LYS A 121 3.934 -17.000 0.054 1.00 0.00 H ATOM 1196 HZ3 LYS A 121 3.691 -15.988 -1.289 1.00 0.00 H ATOM 1197 H LYS A 121 5.029 -11.242 4.268 1.00 0.00 H ATOM 1198 N LEU A 122 5.055 -13.956 7.419 1.00 33.66 N ATOM 1199 CA LEU A 122 5.959 -14.351 8.507 1.00 35.10 C ATOM 1200 C LEU A 122 6.293 -15.830 8.347 1.00 37.47 C ATOM 1201 O LEU A 122 5.355 -16.625 8.118 1.00 37.83 O ATOM 1202 CB LEU A 122 5.286 -14.063 9.839 1.00 35.85 C ATOM 1203 CG LEU A 122 4.984 -12.600 10.105 1.00 36.37 C ATOM 1204 CD1 LEU A 122 4.496 -12.407 11.539 1.00 37.78 C ATOM 1205 CD2 LEU A 122 6.208 -11.741 9.831 1.00 36.85 C ATOM 1206 H LEU A 122 4.057 -14.242 7.479 1.00 0.00 H ATOM 1207 N THR A 123 7.583 -16.168 8.385 1.00 35.89 N ATOM 1208 CA THR A 123 8.095 -17.557 8.302 1.00 38.38 C ATOM 1209 C THR A 123 8.708 -17.938 9.645 1.00 36.74 C ATOM 1210 O THR A 123 9.670 -17.293 10.058 1.00 38.47 O ATOM 1211 CB THR A 123 9.091 -17.723 7.144 1.00 40.01 C ATOM 1212 OG1 THR A 123 8.385 -17.421 5.949 1.00 42.24 O ATOM 1213 CG2 THR A 123 9.660 -19.117 7.037 1.00 41.17 C ATOM 1214 HG1 THR A 123 8.048 -16.491 5.992 1.00 0.00 H ATOM 1215 H THR A 123 8.280 -15.402 8.480 1.00 0.00 H ATOM 1216 N PHE A 124 8.092 -18.889 10.329 1.00 37.35 N ATOM 1217 CA PHE A 124 8.556 -19.447 11.616 1.00 36.18 C ATOM 1218 C PHE A 124 9.249 -20.788 11.338 1.00 36.86 C ATOM 1219 O PHE A 124 8.623 -21.691 10.800 1.00 36.90 O ATOM 1220 CB PHE A 124 7.379 -19.563 12.578 1.00 33.63 C ATOM 1221 CG PHE A 124 6.869 -18.246 13.079 1.00 34.34 C ATOM 1222 CD1 PHE A 124 7.530 -17.572 14.097 1.00 33.73 C ATOM 1223 CD2 PHE A 124 5.776 -17.626 12.469 1.00 34.80 C ATOM 1224 CE1 PHE A 124 7.078 -16.343 14.539 1.00 34.05 C ATOM 1225 CE2 PHE A 124 5.338 -16.391 12.899 1.00 31.77 C ATOM 1226 CZ PHE A 124 5.961 -15.767 13.954 1.00 35.38 C ATOM 1227 H PHE A 124 7.212 -19.274 9.929 1.00 0.00 H ATOM 1228 N ASN A 125 10.549 -20.842 11.555 1.00 38.97 N ATOM 1229 CA ASN A 125 11.357 -22.074 11.389 1.00 40.86 C ATOM 1230 C ASN A 125 11.277 -22.857 12.687 1.00 38.31 C ATOM 1231 O ASN A 125 11.469 -22.244 13.752 1.00 38.93 O ATOM 1232 CB ASN A 125 12.799 -21.766 10.987 1.00 43.73 C ATOM 1233 CG ASN A 125 12.873 -20.952 9.717 1.00 47.60 C ATOM 1234 OD1 ASN A 125 12.520 -21.435 8.640 1.00 53.22 O ATOM 1235 ND2 ASN A 125 13.248 -19.695 9.846 1.00 52.10 N ATOM 1236 HD22 ASN A 125 13.538 -19.332 10.776 1.00 0.00 H ATOM 1237 HD21 ASN A 125 13.254 -19.066 9.017 1.00 0.00 H ATOM 1238 H ASN A 125 11.033 -19.973 11.859 1.00 0.00 H ATOM 1239 N ASN A 126 10.911 -24.131 12.600 1.00 36.55 N ATOM 1240 CA ASN A 126 11.007 -25.107 13.716 1.00 37.10 C ATOM 1241 C ASN A 126 10.368 -24.506 14.962 1.00 35.89 C ATOM 1242 O ASN A 126 10.977 -24.479 16.024 1.00 37.12 O ATOM 1243 CB ASN A 126 12.475 -25.510 13.983 1.00 38.96 C ATOM 1244 CG ASN A 126 13.159 -26.113 12.769 1.00 42.08 C ATOM 1245 OD1 ASN A 126 12.546 -26.854 11.990 1.00 47.13 O ATOM 1246 ND2 ASN A 126 14.419 -25.789 12.582 1.00 45.61 N ATOM 1247 HD22 ASN A 126 14.901 -25.163 13.259 1.00 0.00 H ATOM 1248 HD21 ASN A 126 14.934 -26.158 11.757 1.00 0.00 H ATOM 1249 H ASN A 126 10.533 -24.467 11.691 1.00 0.00 H ATOM 1250 N PRO A 127 9.120 -24.008 14.894 1.00 35.14 N ATOM 1251 CA PRO A 127 8.450 -23.506 16.088 1.00 36.83 C ATOM 1252 C PRO A 127 8.187 -24.654 17.070 1.00 37.94 C ATOM 1253 O PRO A 127 8.061 -25.806 16.630 1.00 40.22 O ATOM 1254 CB PRO A 127 7.139 -22.910 15.529 1.00 36.95 C ATOM 1255 CG PRO A 127 6.885 -23.734 14.291 1.00 36.49 C ATOM 1256 CD PRO A 127 8.263 -23.966 13.707 1.00 34.37 C ATOM 1257 N THR A 128 8.098 -24.346 18.357 1.00 38.00 N ATOM 1258 CA THR A 128 7.691 -25.325 19.408 1.00 39.94 C ATOM 1259 C THR A 128 6.346 -25.976 19.016 1.00 41.10 C ATOM 1260 O THR A 128 5.566 -25.365 18.226 1.00 40.39 O ATOM 1261 CB THR A 128 7.543 -24.668 20.784 1.00 41.17 C ATOM 1262 OG1 THR A 128 6.396 -23.824 20.691 1.00 39.66 O ATOM 1263 CG2 THR A 128 8.765 -23.884 21.218 1.00 40.78 C ATOM 1264 HG1 THR A 128 6.251 -23.370 21.559 1.00 0.00 H ATOM 1265 H THR A 128 8.323 -23.373 18.649 1.00 0.00 H ATOM 1266 N THR A 129 6.082 -27.161 19.539 1.00 42.02 N ATOM 1267 CA THR A 129 4.794 -27.871 19.405 1.00 45.80 C ATOM 1268 C THR A 129 3.657 -26.872 19.610 1.00 44.39 C ATOM 1269 O THR A 129 2.755 -26.786 18.728 1.00 44.95 O ATOM 1270 CB THR A 129 4.716 -29.014 20.417 1.00 48.17 C ATOM 1271 OG1 THR A 129 5.871 -29.814 20.193 1.00 50.40 O ATOM 1272 CG2 THR A 129 3.455 -29.841 20.293 1.00 49.80 C ATOM 1273 HG1 THR A 129 5.872 -30.575 20.826 1.00 0.00 H ATOM 1274 H THR A 129 6.835 -27.627 20.084 1.00 0.00 H ATOM 1275 N GLU A 130 3.690 -26.173 20.739 1.00 42.91 N ATOM 1276 CA GLU A 130 2.595 -25.317 21.228 1.00 43.93 C ATOM 1277 C GLU A 130 2.376 -24.189 20.222 1.00 43.05 C ATOM 1278 O GLU A 130 1.216 -23.936 19.843 1.00 39.45 O ATOM 1279 CB GLU A 130 2.943 -24.768 22.618 1.00 48.22 C ATOM 1280 CG GLU A 130 1.890 -23.820 23.181 1.00 54.28 C ATOM 1281 CD GLU A 130 2.226 -23.222 24.546 1.00 59.10 C ATOM 1282 OE1 GLU A 130 2.612 -24.001 25.463 1.00 59.11 O ATOM 1283 OE2 GLU A 130 2.124 -21.969 24.690 1.00 59.95 O ATOM 1284 H GLU A 130 4.551 -26.234 21.320 1.00 0.00 H ATOM 1285 N PHE A 131 3.448 -23.483 19.853 1.00 41.74 N ATOM 1286 CA PHE A 131 3.345 -22.259 19.033 1.00 39.09 C ATOM 1287 C PHE A 131 2.962 -22.665 17.618 1.00 38.77 C ATOM 1288 O PHE A 131 2.172 -21.944 16.972 1.00 39.63 O ATOM 1289 CB PHE A 131 4.622 -21.430 19.081 1.00 38.62 C ATOM 1290 CG PHE A 131 4.486 -20.087 18.416 1.00 37.06 C ATOM 1291 CD1 PHE A 131 3.473 -19.216 18.786 1.00 36.58 C ATOM 1292 CD2 PHE A 131 5.349 -19.703 17.403 1.00 37.31 C ATOM 1293 CE1 PHE A 131 3.328 -17.988 18.160 1.00 36.53 C ATOM 1294 CE2 PHE A 131 5.220 -18.460 16.796 1.00 36.91 C ATOM 1295 CZ PHE A 131 4.194 -17.617 17.157 1.00 37.40 C ATOM 1296 H PHE A 131 4.389 -23.807 20.154 1.00 0.00 H ATOM 1297 N ARG A 132 3.480 -23.790 17.153 1.00 37.39 N ATOM 1298 CA ARG A 132 3.092 -24.362 15.851 1.00 40.80 C ATOM 1299 C ARG A 132 1.559 -24.481 15.805 1.00 39.83 C ATOM 1300 O ARG A 132 0.961 -24.131 14.761 1.00 36.07 O ATOM 1301 CB ARG A 132 3.758 -25.718 15.639 1.00 44.56 C ATOM 1302 CG ARG A 132 3.505 -26.309 14.263 1.00 47.92 C ATOM 1303 CD ARG A 132 4.460 -27.443 13.958 1.00 52.12 C ATOM 1304 NE ARG A 132 4.179 -28.595 14.796 1.00 56.34 N ATOM 1305 CZ ARG A 132 5.078 -29.275 15.500 1.00 58.05 C ATOM 1306 NH1 ARG A 132 4.688 -30.316 16.217 1.00 57.02 N ATOM 1307 NH2 ARG A 132 6.358 -28.931 15.477 1.00 58.02 N ATOM 1308 HE ARG A 132 3.191 -28.915 14.850 1.00 0.00 H ATOM 1309 HH12 ARG A 132 5.383 -30.855 16.772 1.00 0.00 H ATOM 1310 HH11 ARG A 132 3.686 -30.595 16.226 1.00 0.00 H ATOM 1311 HH22 ARG A 132 7.052 -29.471 16.032 1.00 0.00 H ATOM 1312 HH21 ARG A 132 6.669 -28.121 14.904 1.00 0.00 H ATOM 1313 H ARG A 132 4.188 -24.290 17.728 1.00 0.00 H ATOM 1314 N TYR A 133 0.941 -24.951 16.884 1.00 40.43 N ATOM 1315 CA TYR A 133 -0.514 -25.241 16.909 1.00 42.68 C ATOM 1316 C TYR A 133 -1.287 -23.914 16.834 1.00 42.14 C ATOM 1317 O TYR A 133 -2.272 -23.829 16.064 1.00 41.31 O ATOM 1318 CB TYR A 133 -0.917 -26.088 18.121 1.00 45.72 C ATOM 1319 CG TYR A 133 -2.363 -26.525 18.065 1.00 51.93 C ATOM 1320 CD1 TYR A 133 -2.859 -27.192 16.947 1.00 54.78 C ATOM 1321 CD2 TYR A 133 -3.270 -26.167 19.055 1.00 54.65 C ATOM 1322 CE1 TYR A 133 -4.195 -27.556 16.848 1.00 58.50 C ATOM 1323 CE2 TYR A 133 -4.610 -26.539 18.978 1.00 58.92 C ATOM 1324 CZ TYR A 133 -5.073 -27.244 17.873 1.00 59.67 C ATOM 1325 OH TYR A 133 -6.392 -27.598 17.773 1.00 60.90 O ATOM 1326 HH TYR A 133 -6.953 -26.782 17.782 1.00 0.00 H ATOM 1327 H TYR A 133 1.499 -25.122 17.745 1.00 0.00 H ATOM 1328 N LYS A 134 -0.802 -22.888 17.537 1.00 40.46 N ATOM 1329 CA LYS A 134 -1.362 -21.508 17.491 1.00 38.98 C ATOM 1330 C LYS A 134 -1.297 -20.966 16.048 1.00 38.43 C ATOM 1331 O LYS A 134 -2.314 -20.465 15.554 1.00 35.54 O ATOM 1332 CB LYS A 134 -0.596 -20.608 18.439 1.00 38.18 C ATOM 1333 CG LYS A 134 -0.765 -20.929 19.918 1.00 39.45 C ATOM 1334 CD LYS A 134 -0.134 -19.866 20.800 1.00 38.59 C ATOM 1335 CE LYS A 134 -0.055 -20.270 22.246 1.00 42.27 C ATOM 1336 NZ LYS A 134 -1.394 -20.517 22.801 1.00 45.68 N ATOM 1337 HZ1 LYS A 134 -1.964 -19.650 22.728 1.00 0.00 H ATOM 1338 HZ2 LYS A 134 -1.854 -21.281 22.266 1.00 0.00 H ATOM 1339 HZ3 LYS A 134 -1.308 -20.794 23.800 1.00 0.00 H ATOM 1340 H LYS A 134 0.017 -23.063 18.154 1.00 0.00 H ATOM 1341 N LEU A 135 -0.144 -21.077 15.401 1.00 36.90 N ATOM 1342 CA LEU A 135 0.051 -20.631 14.003 1.00 36.94 C ATOM 1343 C LEU A 135 -0.958 -21.352 13.076 1.00 37.30 C ATOM 1344 O LEU A 135 -1.566 -20.682 12.228 1.00 33.89 O ATOM 1345 CB LEU A 135 1.498 -20.901 13.591 1.00 34.83 C ATOM 1346 CG LEU A 135 2.565 -20.087 14.347 1.00 35.16 C ATOM 1347 CD1 LEU A 135 3.946 -20.628 14.083 1.00 35.74 C ATOM 1348 CD2 LEU A 135 2.500 -18.605 13.981 1.00 34.16 C ATOM 1349 H LEU A 135 0.664 -21.499 15.902 1.00 0.00 H ATOM 1350 N LEU A 136 -1.114 -22.668 13.213 1.00 37.12 N ATOM 1351 CA LEU A 136 -1.991 -23.463 12.318 1.00 39.64 C ATOM 1352 C LEU A 136 -3.438 -23.087 12.610 1.00 40.37 C ATOM 1353 O LEU A 136 -4.224 -22.956 11.671 1.00 42.76 O ATOM 1354 CB LEU A 136 -1.742 -24.951 12.551 1.00 41.85 C ATOM 1355 CG LEU A 136 -0.389 -25.474 12.092 1.00 41.69 C ATOM 1356 CD1 LEU A 136 -0.253 -26.940 12.421 1.00 42.98 C ATOM 1357 CD2 LEU A 136 -0.188 -25.234 10.608 1.00 43.94 C ATOM 1358 H LEU A 136 -0.602 -23.156 13.975 1.00 0.00 H ATOM 1359 N ARG A 137 -3.732 -22.887 13.884 1.00 40.35 N ATOM 1360 CA ARG A 137 -5.052 -22.490 14.423 1.00 42.32 C ATOM 1361 C ARG A 137 -5.445 -21.130 13.827 1.00 39.81 C ATOM 1362 O ARG A 137 -6.606 -20.942 13.545 1.00 40.84 O ATOM 1363 CB ARG A 137 -4.913 -22.459 15.943 1.00 47.27 C ATOM 1364 CG ARG A 137 -6.191 -22.573 16.730 1.00 53.06 C ATOM 1365 CD ARG A 137 -5.950 -23.321 18.040 1.00 55.95 C ATOM 1366 NE ARG A 137 -6.950 -22.954 19.031 1.00 60.07 N ATOM 1367 CZ ARG A 137 -8.218 -23.332 18.991 1.00 66.17 C ATOM 1368 NH1 ARG A 137 -8.642 -24.137 18.031 1.00 72.15 N ATOM 1369 NH2 ARG A 137 -9.059 -22.930 19.927 1.00 69.99 N ATOM 1370 HE ARG A 137 -6.648 -22.354 19.825 1.00 0.00 H ATOM 1371 HH12 ARG A 137 -9.639 -24.432 18.002 1.00 0.00 H ATOM 1372 HH11 ARG A 137 -7.979 -24.475 17.305 1.00 0.00 H ATOM 1373 HH22 ARG A 137 -10.055 -23.228 19.894 1.00 0.00 H ATOM 1374 HH21 ARG A 137 -8.725 -22.316 20.697 1.00 0.00 H ATOM 1375 H ARG A 137 -2.963 -23.021 14.572 1.00 0.00 H ATOM 1376 N ALA A 138 -4.464 -20.254 13.576 1.00 36.47 N ATOM 1377 CA ALA A 138 -4.649 -18.901 12.996 1.00 35.83 C ATOM 1378 C ALA A 138 -4.830 -18.981 11.475 1.00 37.43 C ATOM 1379 O ALA A 138 -5.078 -17.940 10.883 1.00 39.84 O ATOM 1380 CB ALA A 138 -3.461 -18.027 13.346 1.00 35.25 C ATOM 1381 H ALA A 138 -3.493 -20.546 13.806 1.00 0.00 H ATOM 1382 N GLY A 139 -4.652 -20.167 10.875 1.00 40.17 N ATOM 1383 CA GLY A 139 -4.701 -20.393 9.412 1.00 39.38 C ATOM 1384 C GLY A 139 -3.311 -20.408 8.772 1.00 39.40 C ATOM 1385 O GLY A 139 -3.221 -20.189 7.553 1.00 41.65 O ATOM 1386 H GLY A 139 -4.465 -20.990 11.483 1.00 0.00 H ATOM 1387 N GLY A 140 -2.263 -20.645 9.576 1.00 39.27 N ATOM 1388 CA GLY A 140 -0.880 -20.849 9.103 1.00 39.73 C ATOM 1389 C GLY A 140 -0.726 -22.121 8.261 1.00 40.89 C ATOM 1390 O GLY A 140 -1.491 -23.047 8.456 1.00 41.87 O ATOM 1391 H GLY A 140 -2.437 -20.688 10.600 1.00 0.00 H ATOM 1392 N VAL A 141 0.249 -22.120 7.362 1.00 42.07 N ATOM 1393 CA VAL A 141 0.563 -23.198 6.382 1.00 47.00 C ATOM 1394 C VAL A 141 1.923 -23.822 6.760 1.00 47.42 C ATOM 1395 O VAL A 141 2.881 -23.068 6.961 1.00 43.52 O ATOM 1396 CB VAL A 141 0.581 -22.620 4.949 1.00 49.32 C ATOM 1397 CG1 VAL A 141 0.979 -23.651 3.917 1.00 52.19 C ATOM 1398 CG2 VAL A 141 -0.754 -21.990 4.580 1.00 53.69 C ATOM 1399 H VAL A 141 0.859 -21.278 7.338 1.00 0.00 H ATOM 1400 N MET A 142 1.999 -25.148 6.835 1.00 54.90 N ATOM 1401 CA MET A 142 3.258 -25.898 7.083 1.00 60.91 C ATOM 1402 C MET A 142 3.977 -26.106 5.763 1.00 63.52 C ATOM 1403 O MET A 142 3.318 -26.051 4.721 1.00 65.83 O ATOM 1404 CB MET A 142 2.997 -27.262 7.714 1.00 64.86 C ATOM 1405 CG MET A 142 2.849 -27.202 9.194 1.00 67.75 C ATOM 1406 SD MET A 142 2.546 -28.813 9.894 1.00 74.30 S ATOM 1407 CE MET A 142 4.188 -29.286 10.407 1.00 74.94 C ATOM 1408 H MET A 142 1.122 -25.694 6.712 1.00 0.00 H ATOM 1409 N VAL A 143 5.289 -26.303 5.830 1.00 70.52 N ATOM 1410 CA VAL A 143 6.163 -26.697 4.688 1.00 72.52 C ATOM 1411 C VAL A 143 7.260 -27.630 5.223 1.00 77.67 C ATOM 1412 O VAL A 143 7.731 -27.398 6.379 1.00 66.61 O ATOM 1413 CB VAL A 143 6.751 -25.456 3.992 1.00 70.56 C ATOM 1414 CG1 VAL A 143 7.687 -25.829 2.851 1.00 70.90 C ATOM 1415 CG2 VAL A 143 5.652 -24.521 3.503 1.00 70.52 C ATOM 1416 H VAL A 143 5.744 -26.172 6.756 1.00 0.00 H ATOM 1417 N MET A 144 7.580 -28.687 4.453 1.00 86.91 N ATOM 1418 CA MET A 144 8.742 -29.602 4.660 1.00 89.45 C ATOM 1419 C MET A 144 9.842 -29.260 3.647 1.00 93.42 C ATOM 1420 O MET A 144 9.924 -29.867 2.569 1.00 95.09 O ATOM 1421 CB MET A 144 8.335 -31.069 4.469 1.00 93.07 C ATOM 1422 CG MET A 144 7.241 -31.529 5.411 1.00 94.09 C ATOM 1423 SD MET A 144 7.495 -30.979 7.120 1.00 99.07 S ATOM 1424 CE MET A 144 5.831 -31.144 7.767 1.00 92.69 C ATOM 1425 H MET A 144 6.962 -28.884 3.640 1.00 0.00 H TER 1426 MET A 144 HETATM 1427 O HOH 1 -8.326 -26.652 18.623 1.00 61.07 O HETATM 1428 O HOH 2 5.313 11.873 23.598 1.00 54.98 O HETATM 1429 O HOH 3 -9.834 8.442 12.229 1.00 42.39 O HETATM 1430 O HOH 4 1.821 -14.304 24.961 1.00 52.79 O HETATM 1431 O HOH 5 1.310 19.915 17.888 1.00 54.61 O HETATM 1432 O HOH 6 6.847 -9.748 23.149 1.00 34.82 O HETATM 1433 O HOH 7 17.129 -12.085 21.175 1.00 43.20 O HETATM 1434 O HOH 8 1.246 2.265 26.237 1.00 46.77 O HETATM 1435 O HOH 9 9.948 -20.430 14.761 1.00 40.33 O HETATM 1436 O HOH 10 -14.116 2.946 15.220 1.00 57.24 O HETATM 1437 O HOH 11 7.038 -5.195 2.983 1.00 43.12 O HETATM 1438 O HOH 12 -2.708 -11.319 2.870 1.00 46.29 O HETATM 1439 O HOH 13 6.356 7.309 15.105 1.00 49.25 O HETATM 1440 O HOH 14 -8.259 -11.834 3.012 1.00 51.90 O HETATM 1441 O HOH 15 -13.129 -6.137 19.821 1.00 38.48 O HETATM 1442 O HOH 16 10.257 -20.100 17.469 1.00 43.05 O HETATM 1443 O HOH 17 -11.438 -9.059 20.374 1.00 34.49 O HETATM 1444 O HOH 18 -4.345 -10.686 20.834 1.00 28.01 O HETATM 1445 O HOH 19 12.123 -33.583 12.070 1.00 57.15 O HETATM 1446 O HOH 20 -11.134 25.027 16.908 1.00 59.06 O HETATM 1447 O HOH 21 8.221 -21.423 18.804 1.00 39.69 O HETATM 1448 O HOH 22 -2.383 6.427 -2.581 1.00 49.22 O HETATM 1449 O HOH 23 13.061 -26.141 9.456 1.00 57.73 O HETATM 1450 O HOH 24 -9.326 -9.573 8.605 1.00 57.16 O HETATM 1451 O HOH 25 8.544 -14.748 5.589 1.00 42.51 O HETATM 1452 O HOH 26 -7.433 -6.213 13.539 1.00 25.57 O HETATM 1453 O HOH 27 -6.517 -0.106 4.167 1.00 37.85 O HETATM 1454 O HOH 28 -10.156 13.327 2.029 1.00 39.99 O HETATM 1455 O HOH 29 6.677 -10.236 4.154 1.00 44.27 O HETATM 1456 O HOH 30 3.176 -21.083 22.278 1.00 44.23 O HETATM 1457 O HOH 31 -5.643 4.616 -1.653 1.00 34.54 O HETATM 1458 O HOH 32 -10.496 30.704 11.495 1.00 45.71 O HETATM 1459 O HOH 33 -8.155 -9.323 4.694 1.00 51.92 O HETATM 1460 O HOH 34 -5.546 1.761 19.670 1.00 48.81 O HETATM 1461 O HOH 35 11.607 -6.962 14.022 1.00 44.54 O HETATM 1462 O HOH 36 -1.136 12.583 12.103 1.00 32.19 O HETATM 1463 O HOH 37 -8.675 -3.720 20.471 1.00 42.54 O HETATM 1464 O HOH 38 -10.013 5.668 3.108 1.00 41.48 O HETATM 1465 O HOH 39 -4.350 -1.698 25.780 1.00 69.48 O HETATM 1466 O HOH 40 2.079 2.634 3.675 1.00 49.45 O HETATM 1467 O HOH 41 9.517 -14.032 8.484 1.00 43.46 O HETATM 1468 O HOH 42 -2.752 1.965 24.645 1.00 48.25 O HETATM 1469 O HOH 43 -14.919 27.003 10.617 1.00 47.27 O HETATM 1470 O HOH 44 1.745 12.508 4.609 1.00 36.44 O HETATM 1471 O HOH 45 2.045 14.856 5.715 1.00 46.23 O HETATM 1472 O HOH 46 -6.503 -3.680 24.057 1.00 46.26 O HETATM 1473 O HOH 47 -8.195 4.215 18.402 1.00 45.89 O HETATM 1474 O HOH 48 5.885 -21.747 22.706 1.00 37.71 O HETATM 1475 O HOH 49 9.664 -7.144 23.608 1.00 61.17 O HETATM 1476 O HOH 50 4.531 0.966 5.108 1.00 32.43 O HETATM 1477 O HOH 51 2.063 -8.552 26.944 1.00 58.33 O HETATM 1478 O HOH 52 10.799 -11.435 14.201 1.00 37.16 O HETATM 1479 O HOH 53 8.358 10.135 11.193 1.00 42.12 O HETATM 1480 O HOH 54 1.706 12.275 1.717 1.00 50.79 O HETATM 1481 O HOH 55 12.436 -20.998 5.668 1.00 54.28 O HETATM 1482 O HOH 56 -3.496 -18.463 22.162 1.00 53.32 O HETATM 1483 O HOH 57 -8.771 -4.490 1.708 1.00 52.31 O HETATM 1484 O HOH 58 2.322 6.299 25.752 1.00 42.16 O HETATM 1485 O HOH 59 8.687 -5.949 6.197 1.00 43.31 O HETATM 1486 O HOH 60 -1.940 4.557 25.586 1.00 53.17 O HETATM 1487 O HOH 61 5.585 -26.608 23.175 1.00 48.42 O HETATM 1488 O HOH 62 14.824 -19.216 21.330 1.00 49.47 O HETATM 1489 O HOH 63 -5.499 4.212 20.446 1.00 44.09 O HETATM 1490 O HOH 64 -0.299 -11.137 3.693 1.00 40.62 O HETATM 1491 O HOH 65 -10.378 10.655 14.588 1.00 57.81 O HETATM 1492 O HOH 66 6.320 -23.972 24.005 1.00 49.52 O HETATM 1493 O HOH 67 7.768 -1.698 24.970 1.00 54.65 O HETATM 1494 O HOH 68 4.113 11.256 5.274 1.00 57.54 O HETATM 1495 O HOH 69 2.687 4.014 27.686 1.00 57.24 O HETATM 1496 O HOH 70 9.559 -9.397 23.713 1.00 54.66 O HETATM 1497 O HOH 71 9.080 -13.234 12.713 1.00 49.70 O HETATM 1498 C1 M A 7 4.034 15.815 13.792 1.00 -0.04 C HETATM 1499 C2 M A 7 2.790 15.819 14.406 1.00 -0.04 C HETATM 1500 C3 M A 7 1.780 14.952 13.985 1.00 0.06 C HETATM 1501 C4 M A 7 2.051 14.066 12.944 1.00 -0.04 C HETATM 1502 C5 M A 7 3.290 14.058 12.323 1.00 -0.04 C HETATM 1503 C M A 7 4.268 14.942 12.754 1.00 0.04 C HETATM 1504 CL M A 7 5.833 14.947 11.961 1.00 -0.07 CL HETATM 1505 H5 M A 7 3.492 13.369 11.511 1.00 0.06 H HETATM 1506 H4 M A 7 1.283 13.375 12.616 1.00 0.07 H HETATM 1507 C6 M A 7 0.403 15.026 14.575 1.00 0.23 C HETATM 1508 O M A 7 -0.592 14.911 13.863 1.00 -0.37 O HETATM 1509 N M A 7 0.348 15.274 15.915 1.00 -0.24 N HETATM 1510 C7 M A 7 -0.788 15.248 16.774 1.00 0.05 C HETATM 1511 C8 M A 7 -0.595 15.666 18.103 1.00 -0.05 C HETATM 1512 C9 M A 7 -1.630 15.587 19.026 1.00 -0.07 C HETATM 1513 C10 M A 7 -2.860 15.101 18.606 1.00 0.01 C HETATM 1514 C18 M A 7 -3.079 14.691 17.297 1.00 0.06 C HETATM 1515 C19 M A 7 -2.038 14.763 16.363 1.00 -0.02 C HETATM 1516 H20 M A 7 -2.196 14.449 15.338 1.00 0.04 H HETATM 1517 N3 M A 7 -4.412 14.274 17.158 1.00 -0.25 N HETATM 1518 C11 M A 7 -4.951 14.449 18.353 1.00 0.16 C HETATM 1519 C12 M A 7 -6.396 14.238 18.677 1.00 0.05 C HETATM 1520 N2 M A 7 -6.626 12.975 19.390 1.00 0.25 N HETATM 1521 C13 M A 7 -6.269 13.101 20.817 1.00 -0.03 C HETATM 1522 C14 M A 7 -6.473 11.790 21.576 1.00 -0.01 C HETATM 1523 C15 M A 7 -7.897 11.289 21.431 1.00 -0.04 C HETATM 1524 C16 M A 7 -8.302 11.243 19.968 1.00 -0.01 C HETATM 1525 C17 M A 7 -8.040 12.575 19.287 1.00 -0.03 C HETATM 1526 H18 M A 7 -8.309 12.490 18.224 1.00 0.08 H HETATM 1527 H19 M A 7 -8.664 13.346 19.763 1.00 0.08 H HETATM 1528 H16 M A 7 -9.375 11.009 19.899 1.00 0.03 H HETATM 1529 H17 M A 7 -7.722 10.459 19.459 1.00 0.03 H HETATM 1530 H14 M A 7 -8.575 11.965 21.973 1.00 0.03 H HETATM 1531 H15 M A 7 -7.970 10.278 21.858 1.00 0.03 H HETATM 1532 H12 M A 7 -6.257 11.955 22.642 1.00 0.03 H HETATM 1533 H13 M A 7 -5.784 11.032 21.175 1.00 0.03 H HETATM 1534 H10 M A 7 -6.900 13.878 21.274 1.00 0.08 H HETATM 1535 H11 M A 7 -5.212 13.395 20.894 1.00 0.08 H HETATM 1536 H3 M A 7 -6.051 12.261 18.971 1.00 0.21 H HETATM 1537 H8 M A 7 -6.742 15.069 19.308 1.00 0.11 H HETATM 1538 H9 M A 7 -6.971 14.225 17.739 1.00 0.11 H HETATM 1539 N1 M A 7 -4.072 14.936 19.259 1.00 -0.32 N HETATM 1540 H22 M A 7 -4.870 13.911 16.310 1.00 0.23 H HETATM 1541 H7 M A 7 -1.480 15.899 20.053 1.00 0.05 H HETATM 1542 H6 M A 7 0.370 16.053 18.410 1.00 0.04 H HETATM 1543 H21 M A 7 1.218 15.504 16.351 1.00 0.22 H HETATM 1544 H2 M A 7 2.600 16.505 15.224 1.00 0.07 H HETATM 1545 H1 M A 7 4.812 16.491 14.126 1.00 0.06 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1498 1499 1503 1545 CONECT 1499 1498 1500 1544 CONECT 1500 1499 1501 1507 CONECT 1501 1500 1502 1506 CONECT 1502 1501 1503 1505 CONECT 1503 1498 1502 1504 CONECT 1504 1503 CONECT 1505 1502 CONECT 1506 1501 CONECT 1507 1500 1508 1509 CONECT 1508 1507 CONECT 1509 1507 1510 1543 CONECT 1510 1509 1511 1515 CONECT 1511 1510 1512 1542 CONECT 1512 1511 1513 1541 CONECT 1513 1512 1514 1539 CONECT 1514 1513 1515 1517 CONECT 1515 1510 1514 1516 CONECT 1516 1515 CONECT 1517 1514 1518 1540 CONECT 1518 1517 1519 1539 CONECT 1519 1518 1520 1537 1538 CONECT 1520 1519 1521 1525 1536 CONECT 1521 1520 1522 1534 1535 CONECT 1522 1521 1523 1532 1533 CONECT 1523 1522 1524 1530 1531 CONECT 1524 1523 1525 1528 1529 CONECT 1525 1520 1524 1526 1527 CONECT 1526 1525 CONECT 1527 1525 CONECT 1528 1524 CONECT 1529 1524 CONECT 1530 1523 CONECT 1531 1523 CONECT 1532 1522 CONECT 1533 1522 CONECT 1534 1521 CONECT 1535 1521 CONECT 1536 1520 CONECT 1537 1519 CONECT 1538 1519 CONECT 1539 1513 1518 CONECT 1540 1517 CONECT 1541 1512 CONECT 1542 1511 CONECT 1543 1509 CONECT 1544 1499 CONECT 1545 1498 MASTER 0 0 0 0 0 0 0 0 1544 1 52 11 END
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Structure:
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Related entries of code: 6t1n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6hpw
RCSB PDB
PDBbind
155aa, >6HPW_1|Chain... *
6ht1
RCSB PDB
PDBbind
155aa, >6HT1_1|Chain... at 100%
6t1i
RCSB PDB
PDBbind
154aa, >6T1I_1|Chain... at 100%
6t1j
RCSB PDB
PDBbind
154aa, >6T1J_1|Chain... at 100%
6t1l
RCSB PDB
PDBbind
154aa, >6T1L_1|Chain... at 100%
6t1m
RCSB PDB
PDBbind
154aa, >6T1M_1|Chain... at 100%
6t1o
RCSB PDB
PDBbind
154aa, >6T1O_1|Chain... at 100%
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
6t1n
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
MLLT1 (ENL) YEATS domain
Ligand Name
M7Z
EC.Number
E.C.-.-.-.-
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
Kd=3.5uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Med.Chem.Lett. Vol. 10: pp. 1661-1666
Ligand Properties
Formula
C
2
0
H
2
2
ClN
4
O
Molecular Weight
369.868
Exact Mass
369.148
No. of atoms
48
No. of bonds
51
Polar Surface Area
62.22
LOGP Value
3.67 (
Computed with XLOGP3
)
4.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
Clc1ccc(cc1)C(=O)Nc1ccc2c(c1)[nH]c(n2)C[NH+]1CCCCC1
InChI String
InChI=1S/C20H21ClN4O/c21-15-6-4-14(5-7-15)20(26)22-16-8-9-17-18(12-16)24-19(23-17)13-25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H,22,26)(H,23,24)/p+1
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):
Q03111
Entrez Gene ID
NCBI Entrez Gene ID:
4298
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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