Browse entries in the PDBbind-CN Database
HEADER 4PIQ_COMPLEX COMPND 4PIQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 204 SER GLY SER SER GLU GLN GLU LEU ALA ALA ILE VAL ARG SEQRES 2 A 204 ASP LEU GLY CYS GLY PRO TYR PHE LEU GLY THR HIS ASP SEQRES 3 A 204 LYS ARG PHE PRO GLY PHE LEU ALA GLY ASN LYS LEU ALA SEQRES 4 A 204 CYS ALA ILE VAL ASN THR ALA GLY ARG GLU THR GLY GLY SEQRES 5 A 204 VAL HIS TRP LEU ALA PHE GLY TRP ASN PRO ARG SER ARG SEQRES 6 A 204 THR CYS TYR MET PHE ASP PRO PHE GLY PHE SER ASP ARG SEQRES 7 A 204 ARG LEU LYS GLN ILE TYR SER PHE GLU TYR GLU ALA MET SEQRES 8 A 204 LEU ARG ARG SER ALA LEU ALA LEU SER PRO ASP ARG CYS SEQRES 9 A 204 LEU SER LEU GLU GLN SER THR GLN THR VAL GLN GLY PRO SEQRES 10 A 204 ASP SER ALA ALA CYS GLY LEU PHE CYS CYS MET PHE LEU SEQRES 11 A 204 HIS ALA PHE VAL HIS TRP PRO ASP ARG PRO MET ASP GLY SEQRES 12 A 204 ASN PRO THR MET ASN LEU LEU THR GLY VAL PRO ASN GLY SEQRES 13 A 204 MET LEU GLN SER PRO GLN VAL LEU PRO THR LEU ARG ARG SEQRES 14 A 204 ASN GLN GLU LYS LEU TYR ARG PHE LEU ALA HIS HIS SER SEQRES 15 A 204 PRO TYR PHE ARG SER HIS ARG ALA ALA ILE GLU HIS ALA SEQRES 16 A 204 THR ALA PHE ASP LYS MET LYS GLN LEU HET UNN A 297 46 ATOM 1 N SER A 1 32.266 -31.307 23.941 1.00 47.54 N ATOM 2 CA SER A 1 32.005 -29.986 24.506 1.00 46.79 C ATOM 3 C SER A 1 31.351 -29.069 23.455 1.00 49.26 C ATOM 4 O SER A 1 32.028 -28.566 22.557 1.00 48.90 O ATOM 5 CB SER A 1 33.309 -29.377 25.040 1.00 51.41 C ATOM 6 OG SER A 1 33.108 -28.227 25.848 1.00 60.04 O ATOM 7 HG SER A 1 33.984 -27.886 26.158 1.00 0.00 H ATOM 8 HN3 SER A 1 32.907 -31.214 23.127 1.00 0.00 H ATOM 9 HN2 SER A 1 31.370 -31.733 23.631 1.00 0.00 H ATOM 10 HN1 SER A 1 32.707 -31.911 24.664 1.00 0.00 H ATOM 11 N GLY A 2 30.043 -28.861 23.579 1.00 45.67 N ATOM 12 CA GLY A 2 29.289 -27.993 22.677 1.00 45.16 C ATOM 13 C GLY A 2 28.862 -28.629 21.367 1.00 46.95 C ATOM 14 O GLY A 2 28.674 -29.852 21.301 1.00 46.85 O ATOM 15 H GLY A 2 29.535 -29.337 24.352 1.00 0.00 H ATOM 16 N SER A 3 28.671 -27.781 20.321 1.00 40.59 N ATOM 17 CA SER A 3 28.216 -28.192 18.984 1.00 39.83 C ATOM 18 C SER A 3 29.318 -28.121 17.919 1.00 41.90 C ATOM 19 O SER A 3 30.043 -27.126 17.853 1.00 41.67 O ATOM 20 CB SER A 3 27.037 -27.332 18.532 1.00 42.67 C ATOM 21 OG SER A 3 25.818 -27.635 19.192 1.00 47.40 O ATOM 22 HG SER A 3 25.576 -28.579 19.019 1.00 0.00 H ATOM 23 H SER A 3 28.860 -26.770 20.478 1.00 0.00 H ATOM 24 N SER A 4 29.433 -29.172 17.078 1.00 36.80 N ATOM 25 CA SER A 4 30.417 -29.250 15.980 1.00 34.87 C ATOM 26 C SER A 4 29.809 -28.549 14.746 1.00 36.00 C ATOM 27 O SER A 4 28.594 -28.382 14.678 1.00 34.33 O ATOM 28 CB SER A 4 30.730 -30.713 15.645 1.00 36.69 C ATOM 29 OG SER A 4 29.599 -31.358 15.073 1.00 35.53 O ATOM 30 HG SER A 4 29.827 -32.299 14.866 1.00 0.00 H ATOM 31 H SER A 4 28.788 -29.977 17.212 1.00 0.00 H ATOM 32 N GLU A 5 30.625 -28.203 13.759 1.00 34.62 N ATOM 33 CA GLU A 5 30.100 -27.537 12.558 1.00 35.06 C ATOM 34 C GLU A 5 29.135 -28.417 11.738 1.00 37.85 C ATOM 35 O GLU A 5 28.160 -27.891 11.190 1.00 38.12 O ATOM 36 CB GLU A 5 31.219 -26.957 11.688 1.00 36.66 C ATOM 37 CG GLU A 5 32.331 -27.921 11.312 1.00 46.46 C ATOM 38 CD GLU A 5 33.126 -27.459 10.108 1.00 60.50 C ATOM 39 OE1 GLU A 5 34.375 -27.519 10.164 1.00 61.45 O ATOM 40 OE2 GLU A 5 32.502 -27.006 9.120 1.00 44.91 O ATOM 41 H GLU A 5 31.643 -28.404 13.835 1.00 0.00 H ATOM 42 N GLN A 6 29.361 -29.753 11.722 1.00 34.21 N ATOM 43 CA GLN A 6 28.517 -30.744 11.006 1.00 33.81 C ATOM 44 C GLN A 6 27.107 -30.769 11.577 1.00 34.05 C ATOM 45 O GLN A 6 26.125 -30.771 10.825 1.00 32.82 O ATOM 46 CB GLN A 6 29.120 -32.172 11.094 1.00 35.59 C ATOM 47 CG GLN A 6 30.502 -32.342 10.435 1.00 50.78 C ATOM 48 CD GLN A 6 31.657 -31.742 11.218 1.00 59.43 C ATOM 49 OE1 GLN A 6 31.641 -31.652 12.453 1.00 53.91 O ATOM 50 NE2 GLN A 6 32.688 -31.314 10.506 1.00 48.51 N ATOM 51 HE22 GLN A 6 32.676 -31.401 9.470 1.00 0.00 H ATOM 52 HE21 GLN A 6 33.509 -30.891 10.983 1.00 0.00 H ATOM 53 H GLN A 6 30.184 -30.110 12.248 1.00 0.00 H ATOM 54 N GLU A 7 27.024 -30.794 12.927 1.00 29.70 N ATOM 55 CA GLU A 7 25.807 -30.807 13.734 1.00 28.82 C ATOM 56 C GLU A 7 24.936 -29.595 13.392 1.00 32.71 C ATOM 57 O GLU A 7 23.746 -29.751 13.081 1.00 33.11 O ATOM 58 CB GLU A 7 26.211 -30.813 15.220 1.00 29.89 C ATOM 59 CG GLU A 7 25.093 -31.060 16.219 1.00 46.44 C ATOM 60 CD GLU A 7 25.571 -31.077 17.661 1.00 57.76 C ATOM 61 OE1 GLU A 7 25.161 -30.174 18.427 1.00 40.99 O ATOM 62 OE2 GLU A 7 26.376 -31.971 18.018 1.00 37.26 O ATOM 63 H GLU A 7 27.925 -30.805 13.447 1.00 0.00 H ATOM 64 N LEU A 8 25.531 -28.389 13.436 1.00 29.70 N ATOM 65 CA LEU A 8 24.825 -27.138 13.135 1.00 30.68 C ATOM 66 C LEU A 8 24.352 -27.030 11.667 1.00 35.94 C ATOM 67 O LEU A 8 23.232 -26.575 11.434 1.00 36.23 O ATOM 68 CB LEU A 8 25.674 -25.913 13.534 1.00 30.54 C ATOM 69 CG LEU A 8 26.150 -25.862 14.997 1.00 33.51 C ATOM 70 CD1 LEU A 8 27.061 -24.695 15.226 1.00 32.65 C ATOM 71 CD2 LEU A 8 24.976 -25.883 15.972 1.00 34.27 C ATOM 72 H LEU A 8 26.537 -28.341 13.695 1.00 0.00 H ATOM 73 N ALA A 9 25.180 -27.500 10.696 1.00 32.62 N ATOM 74 CA ALA A 9 24.856 -27.489 9.251 1.00 31.78 C ATOM 75 C ALA A 9 23.592 -28.289 8.972 1.00 34.46 C ATOM 76 O ALA A 9 22.681 -27.788 8.309 1.00 34.11 O ATOM 77 CB ALA A 9 26.023 -28.028 8.445 1.00 32.03 C ATOM 78 H ALA A 9 26.099 -27.892 10.986 1.00 0.00 H ATOM 79 N ALA A 10 23.480 -29.464 9.618 1.00 31.70 N ATOM 80 CA ALA A 10 22.342 -30.366 9.524 1.00 31.07 C ATOM 81 C ALA A 10 21.083 -29.790 10.114 1.00 34.00 C ATOM 82 O ALA A 10 19.997 -30.067 9.601 1.00 33.21 O ATOM 83 CB ALA A 10 22.668 -31.679 10.206 1.00 32.09 C ATOM 84 H ALA A 10 24.269 -29.750 10.233 1.00 0.00 H ATOM 85 N ILE A 11 21.201 -29.051 11.247 1.00 29.71 N ATOM 86 CA ILE A 11 20.029 -28.470 11.902 1.00 28.68 C ATOM 87 C ILE A 11 19.517 -27.272 11.101 1.00 33.24 C ATOM 88 O ILE A 11 18.317 -27.166 10.829 1.00 32.59 O ATOM 89 CB ILE A 11 20.306 -28.167 13.414 1.00 31.29 C ATOM 90 CG1 ILE A 11 20.439 -29.490 14.223 1.00 30.91 C ATOM 91 CG2 ILE A 11 19.213 -27.276 14.008 1.00 30.10 C ATOM 92 CD1 ILE A 11 21.292 -29.408 15.557 1.00 30.74 C ATOM 93 H ILE A 11 22.144 -28.895 11.657 1.00 0.00 H ATOM 94 N VAL A 12 20.441 -26.400 10.674 1.00 31.73 N ATOM 95 CA VAL A 12 20.124 -25.225 9.853 1.00 32.03 C ATOM 96 C VAL A 12 19.316 -25.621 8.583 1.00 38.17 C ATOM 97 O VAL A 12 18.311 -24.972 8.263 1.00 37.72 O ATOM 98 CB VAL A 12 21.432 -24.455 9.573 1.00 35.97 C ATOM 99 CG1 VAL A 12 21.332 -23.567 8.345 1.00 36.50 C ATOM 100 CG2 VAL A 12 21.839 -23.639 10.798 1.00 35.41 C ATOM 101 H VAL A 12 21.433 -26.564 10.938 1.00 0.00 H ATOM 102 N ARG A 13 19.722 -26.731 7.918 1.00 36.31 N ATOM 103 CA ARG A 13 19.026 -27.287 6.745 1.00 36.35 C ATOM 104 C ARG A 13 17.633 -27.758 7.152 1.00 39.03 C ATOM 105 O ARG A 13 16.656 -27.409 6.503 1.00 38.23 O ATOM 106 CB ARG A 13 19.823 -28.462 6.153 1.00 37.66 C ATOM 107 CG ARG A 13 20.370 -28.200 4.751 1.00 55.20 C ATOM 108 CD ARG A 13 21.879 -28.014 4.752 1.00 72.54 C ATOM 109 NE ARG A 13 22.589 -29.243 5.118 1.00 84.63 N ATOM 110 CZ ARG A 13 23.897 -29.319 5.348 1.00100.22 C ATOM 111 NH1 ARG A 13 24.662 -28.236 5.248 1.00 85.66 N ATOM 112 NH2 ARG A 13 24.451 -30.478 5.685 1.00 86.72 N ATOM 113 HE ARG A 13 22.031 -30.117 5.204 1.00 0.00 H ATOM 114 HH12 ARG A 13 25.684 -28.303 5.429 1.00 0.00 H ATOM 115 HH11 ARG A 13 24.238 -27.322 4.989 1.00 0.00 H ATOM 116 HH22 ARG A 13 25.474 -30.533 5.864 1.00 0.00 H ATOM 117 HH21 ARG A 13 23.862 -31.331 5.770 1.00 0.00 H ATOM 118 H ARG A 13 20.576 -27.219 8.257 1.00 0.00 H ATOM 119 N ASP A 14 17.535 -28.508 8.274 1.00 37.00 N ATOM 120 CA ASP A 14 16.263 -29.038 8.779 1.00 35.99 C ATOM 121 C ASP A 14 15.239 -27.935 9.076 1.00 37.76 C ATOM 122 O ASP A 14 14.043 -28.193 9.020 1.00 35.82 O ATOM 123 CB ASP A 14 16.498 -29.876 10.045 1.00 37.21 C ATOM 124 CG ASP A 14 16.967 -31.307 9.854 1.00 45.77 C ATOM 125 OD1 ASP A 14 16.785 -31.856 8.743 1.00 46.92 O ATOM 126 OD2 ASP A 14 17.410 -31.918 10.847 1.00 46.77 O ATOM 127 H ASP A 14 18.404 -28.719 8.805 1.00 0.00 H ATOM 128 N LEU A 15 15.718 -26.712 9.367 1.00 34.69 N ATOM 129 CA LEU A 15 14.890 -25.562 9.748 1.00 34.86 C ATOM 130 C LEU A 15 14.412 -24.692 8.565 1.00 40.56 C ATOM 131 O LEU A 15 13.689 -23.715 8.778 1.00 39.66 O ATOM 132 CB LEU A 15 15.651 -24.705 10.804 1.00 34.71 C ATOM 133 CG LEU A 15 15.774 -25.287 12.210 1.00 37.50 C ATOM 134 CD1 LEU A 15 16.755 -24.521 13.016 1.00 37.09 C ATOM 135 CD2 LEU A 15 14.459 -25.258 12.919 1.00 36.86 C ATOM 136 H LEU A 15 16.747 -26.572 9.319 1.00 0.00 H ATOM 137 N GLY A 16 14.816 -25.059 7.343 1.00 38.74 N ATOM 138 CA GLY A 16 14.463 -24.360 6.111 1.00 38.12 C ATOM 139 C GLY A 16 15.362 -23.192 5.735 1.00 41.62 C ATOM 140 O GLY A 16 14.907 -22.278 5.040 1.00 41.43 O ATOM 141 H GLY A 16 15.423 -25.900 7.266 1.00 0.00 H ATOM 142 N CYS A 17 16.643 -23.223 6.172 1.00 38.48 N ATOM 143 CA CYS A 17 17.650 -22.168 5.950 1.00 37.61 C ATOM 144 C CYS A 17 18.532 -22.421 4.747 1.00 43.44 C ATOM 145 O CYS A 17 19.056 -21.456 4.182 1.00 43.35 O ATOM 146 CB CYS A 17 18.507 -21.945 7.193 1.00 37.33 C ATOM 147 SG CYS A 17 17.598 -21.475 8.682 1.00 40.61 S ATOM 148 H CYS A 17 16.942 -24.061 6.710 1.00 0.00 H ATOM 149 N GLY A 18 18.746 -23.707 4.429 1.00 40.24 N ATOM 150 CA GLY A 18 19.570 -24.227 3.332 1.00 39.81 C ATOM 151 C GLY A 18 19.777 -23.368 2.089 1.00 41.68 C ATOM 152 O GLY A 18 20.937 -23.086 1.748 1.00 39.35 O ATOM 153 H GLY A 18 18.275 -24.415 5.028 1.00 0.00 H ATOM 154 N PRO A 19 18.685 -22.937 1.383 1.00 38.04 N ATOM 155 CA PRO A 19 18.852 -22.094 0.176 1.00 37.04 C ATOM 156 C PRO A 19 19.583 -20.771 0.414 1.00 42.35 C ATOM 157 O PRO A 19 20.300 -20.307 -0.472 1.00 42.31 O ATOM 158 CB PRO A 19 17.402 -21.842 -0.282 1.00 38.26 C ATOM 159 CG PRO A 19 16.572 -22.070 0.908 1.00 43.44 C ATOM 160 CD PRO A 19 17.250 -23.193 1.637 1.00 40.19 C ATOM 161 N TYR A 20 19.419 -20.185 1.623 1.00 38.76 N ATOM 162 CA TYR A 20 20.022 -18.912 2.029 1.00 38.21 C ATOM 163 C TYR A 20 21.335 -19.047 2.813 1.00 42.37 C ATOM 164 O TYR A 20 22.031 -18.044 2.999 1.00 43.12 O ATOM 165 CB TYR A 20 19.023 -18.076 2.862 1.00 38.45 C ATOM 166 CG TYR A 20 17.615 -18.065 2.323 1.00 39.54 C ATOM 167 CD1 TYR A 20 17.222 -17.140 1.360 1.00 41.11 C ATOM 168 CD2 TYR A 20 16.661 -18.966 2.792 1.00 41.16 C ATOM 169 CE1 TYR A 20 15.926 -17.136 0.845 1.00 42.64 C ATOM 170 CE2 TYR A 20 15.356 -18.958 2.303 1.00 42.91 C ATOM 171 CZ TYR A 20 14.993 -18.043 1.324 1.00 52.27 C ATOM 172 OH TYR A 20 13.706 -18.031 0.842 1.00 55.52 O ATOM 173 HH TYR A 20 13.619 -17.323 0.155 1.00 0.00 H ATOM 174 H TYR A 20 18.819 -20.675 2.317 1.00 0.00 H ATOM 175 N PHE A 21 21.672 -20.263 3.275 1.00 36.76 N ATOM 176 CA PHE A 21 22.832 -20.525 4.123 1.00 35.91 C ATOM 177 C PHE A 21 24.168 -20.569 3.410 1.00 41.06 C ATOM 178 O PHE A 21 24.332 -21.334 2.454 1.00 42.08 O ATOM 179 CB PHE A 21 22.611 -21.815 4.924 1.00 37.34 C ATOM 180 CG PHE A 21 23.564 -22.103 6.059 1.00 38.77 C ATOM 181 CD1 PHE A 21 23.841 -21.135 7.021 1.00 43.00 C ATOM 182 CD2 PHE A 21 24.098 -23.374 6.231 1.00 39.95 C ATOM 183 CE1 PHE A 21 24.667 -21.424 8.107 1.00 43.67 C ATOM 184 CE2 PHE A 21 24.921 -23.663 7.319 1.00 42.93 C ATOM 185 CZ PHE A 21 25.194 -22.688 8.254 1.00 41.64 C ATOM 186 H PHE A 21 21.069 -21.068 3.012 1.00 0.00 H ATOM 187 N LEU A 22 25.140 -19.764 3.920 1.00 36.05 N ATOM 188 CA LEU A 22 26.518 -19.647 3.425 1.00 35.02 C ATOM 189 C LEU A 22 27.510 -20.588 4.084 1.00 37.68 C ATOM 190 O LEU A 22 28.696 -20.532 3.756 1.00 38.13 O ATOM 191 CB LEU A 22 27.058 -18.199 3.522 1.00 34.73 C ATOM 192 CG LEU A 22 26.539 -17.170 2.527 1.00 39.11 C ATOM 193 CD1 LEU A 22 27.023 -15.783 2.897 1.00 39.52 C ATOM 194 CD2 LEU A 22 26.962 -17.505 1.088 1.00 39.62 C ATOM 195 H LEU A 22 24.882 -19.176 4.738 1.00 0.00 H ATOM 196 N GLY A 23 27.045 -21.426 5.003 1.00 33.19 N ATOM 197 CA GLY A 23 27.909 -22.372 5.703 1.00 32.98 C ATOM 198 C GLY A 23 28.409 -21.920 7.068 1.00 37.48 C ATOM 199 O GLY A 23 28.008 -20.865 7.569 1.00 35.91 O ATOM 200 H GLY A 23 26.031 -21.408 5.232 1.00 0.00 H ATOM 201 N THR A 24 29.292 -22.742 7.680 1.00 33.78 N ATOM 202 CA THR A 24 29.896 -22.515 8.998 1.00 32.74 C ATOM 203 C THR A 24 31.331 -22.116 8.813 1.00 33.81 C ATOM 204 O THR A 24 32.033 -22.663 7.961 1.00 30.62 O ATOM 205 CB THR A 24 29.724 -23.725 9.934 1.00 43.89 C ATOM 206 OG1 THR A 24 30.329 -24.866 9.323 1.00 50.79 O ATOM 207 CG2 THR A 24 28.262 -24.028 10.237 1.00 43.85 C ATOM 208 HG1 THR A 24 29.889 -25.046 8.455 1.00 0.00 H ATOM 209 H THR A 24 29.566 -23.608 7.174 1.00 0.00 H ATOM 210 N HIS A 25 31.759 -21.105 9.582 1.00 31.01 N ATOM 211 CA HIS A 25 33.086 -20.544 9.459 1.00 31.26 C ATOM 212 C HIS A 25 33.691 -20.167 10.788 1.00 35.37 C ATOM 213 O HIS A 25 32.996 -20.030 11.787 1.00 34.19 O ATOM 214 CB HIS A 25 33.019 -19.271 8.599 1.00 33.00 C ATOM 215 CG HIS A 25 32.489 -19.468 7.211 1.00 36.98 C ATOM 216 ND1 HIS A 25 31.133 -19.404 6.944 1.00 39.15 N ATOM 217 CD2 HIS A 25 33.159 -19.635 6.050 1.00 39.00 C ATOM 218 CE1 HIS A 25 31.016 -19.569 5.637 1.00 38.69 C ATOM 219 NE2 HIS A 25 32.208 -19.733 5.060 1.00 39.25 N ATOM 220 H HIS A 25 31.112 -20.709 10.294 1.00 0.00 H ATOM 221 N ASP A 26 34.992 -19.922 10.754 1.00 33.22 N ATOM 222 CA ASP A 26 35.774 -19.399 11.839 1.00 33.94 C ATOM 223 C ASP A 26 35.710 -17.844 11.703 1.00 39.15 C ATOM 224 O ASP A 26 35.021 -17.340 10.803 1.00 38.26 O ATOM 225 CB ASP A 26 37.212 -19.965 11.767 1.00 35.32 C ATOM 226 CG ASP A 26 38.136 -19.490 10.643 1.00 46.14 C ATOM 227 OD1 ASP A 26 37.660 -18.782 9.732 1.00 46.05 O ATOM 228 OD2 ASP A 26 39.343 -19.819 10.689 1.00 51.91 O ATOM 229 H ASP A 26 35.491 -20.126 9.864 1.00 0.00 H ATOM 230 N LYS A 27 36.445 -17.105 12.562 1.00 35.97 N ATOM 231 CA LYS A 27 36.489 -15.632 12.602 1.00 36.19 C ATOM 232 C LYS A 27 36.828 -14.939 11.261 1.00 39.95 C ATOM 233 O LYS A 27 36.488 -13.767 11.110 1.00 39.04 O ATOM 234 CB LYS A 27 37.416 -15.112 13.726 1.00 38.44 C ATOM 235 CG LYS A 27 38.900 -15.431 13.606 1.00 47.19 C ATOM 236 CD LYS A 27 39.689 -14.594 14.614 1.00 54.41 C ATOM 237 CE LYS A 27 41.169 -14.891 14.631 1.00 59.73 C ATOM 238 NZ LYS A 27 41.829 -14.317 15.842 1.00 67.89 N ATOM 239 HZ1 LYS A 27 41.700 -13.285 15.849 1.00 0.00 H ATOM 240 HZ2 LYS A 27 41.401 -14.727 16.696 1.00 0.00 H ATOM 241 HZ3 LYS A 27 42.845 -14.540 15.820 1.00 0.00 H ATOM 242 H LYS A 27 37.029 -17.618 13.253 1.00 0.00 H ATOM 243 N ARG A 28 37.446 -15.655 10.289 1.00 37.22 N ATOM 244 CA ARG A 28 37.816 -15.078 8.994 1.00 35.91 C ATOM 245 C ARG A 28 36.692 -15.183 7.923 1.00 37.99 C ATOM 246 O ARG A 28 36.961 -15.079 6.722 1.00 38.43 O ATOM 247 CB ARG A 28 39.152 -15.657 8.515 1.00 38.19 C ATOM 248 CG ARG A 28 40.318 -15.191 9.392 1.00 48.33 C ATOM 249 CD ARG A 28 41.502 -16.127 9.368 1.00 50.92 C ATOM 250 NE ARG A 28 42.308 -16.002 10.580 1.00 50.24 N ATOM 251 CZ ARG A 28 42.517 -16.984 11.454 1.00 61.79 C ATOM 252 NH1 ARG A 28 43.260 -16.773 12.530 1.00 58.04 N ATOM 253 NH2 ARG A 28 42.000 -18.194 11.246 1.00 32.11 N ATOM 254 HE ARG A 28 42.750 -15.081 10.774 1.00 0.00 H ATOM 255 HH12 ARG A 28 43.421 -17.543 13.210 1.00 0.00 H ATOM 256 HH11 ARG A 28 43.683 -15.837 12.695 1.00 0.00 H ATOM 257 HH22 ARG A 28 42.168 -18.956 11.933 1.00 0.00 H ATOM 258 HH21 ARG A 28 41.429 -18.376 10.396 1.00 0.00 H ATOM 259 H ARG A 28 37.666 -16.655 10.470 1.00 0.00 H ATOM 260 N PHE A 29 35.425 -15.299 8.359 1.00 33.13 N ATOM 261 CA PHE A 29 34.277 -15.313 7.439 1.00 31.47 C ATOM 262 C PHE A 29 34.327 -14.017 6.604 1.00 35.74 C ATOM 263 O PHE A 29 34.508 -12.945 7.189 1.00 35.03 O ATOM 264 CB PHE A 29 32.956 -15.432 8.220 1.00 31.98 C ATOM 265 CG PHE A 29 31.682 -15.120 7.467 1.00 32.85 C ATOM 266 CD1 PHE A 29 31.304 -15.872 6.357 1.00 34.74 C ATOM 267 CD2 PHE A 29 30.815 -14.126 7.915 1.00 33.48 C ATOM 268 CE1 PHE A 29 30.126 -15.585 5.666 1.00 35.49 C ATOM 269 CE2 PHE A 29 29.622 -13.859 7.240 1.00 36.33 C ATOM 270 CZ PHE A 29 29.285 -14.591 6.120 1.00 35.00 C ATOM 271 H PHE A 29 35.251 -15.382 9.381 1.00 0.00 H ATOM 272 N PRO A 30 34.251 -14.087 5.248 1.00 32.80 N ATOM 273 CA PRO A 30 34.388 -12.869 4.439 1.00 33.27 C ATOM 274 C PRO A 30 33.262 -11.843 4.593 1.00 36.07 C ATOM 275 O PRO A 30 33.514 -10.642 4.651 1.00 34.12 O ATOM 276 CB PRO A 30 34.449 -13.414 2.994 1.00 35.00 C ATOM 277 CG PRO A 30 34.778 -14.837 3.116 1.00 38.26 C ATOM 278 CD PRO A 30 34.115 -15.269 4.380 1.00 34.06 C ATOM 279 N GLY A 31 32.034 -12.328 4.593 1.00 33.25 N ATOM 280 CA GLY A 31 30.862 -11.469 4.670 1.00 32.85 C ATOM 281 C GLY A 31 29.883 -11.800 3.580 1.00 35.88 C ATOM 282 O GLY A 31 29.966 -12.871 2.984 1.00 35.49 O ATOM 283 H GLY A 31 31.900 -13.358 4.536 1.00 0.00 H ATOM 284 N PHE A 32 28.923 -10.913 3.359 1.00 32.98 N ATOM 285 CA PHE A 32 27.923 -11.077 2.320 1.00 33.48 C ATOM 286 C PHE A 32 28.452 -10.300 1.085 1.00 39.46 C ATOM 287 O PHE A 32 28.448 -9.062 1.054 1.00 39.40 O ATOM 288 CB PHE A 32 26.543 -10.617 2.835 1.00 35.84 C ATOM 289 CG PHE A 32 26.154 -11.259 4.154 1.00 37.38 C ATOM 290 CD1 PHE A 32 26.351 -10.588 5.360 1.00 40.68 C ATOM 291 CD2 PHE A 32 25.609 -12.537 4.191 1.00 38.93 C ATOM 292 CE1 PHE A 32 26.003 -11.183 6.580 1.00 41.25 C ATOM 293 CE2 PHE A 32 25.275 -13.138 5.411 1.00 42.49 C ATOM 294 CZ PHE A 32 25.475 -12.457 6.599 1.00 40.50 C ATOM 295 H PHE A 32 28.885 -10.062 3.956 1.00 0.00 H ATOM 296 N LEU A 33 29.024 -11.043 0.126 1.00 36.48 N ATOM 297 CA LEU A 33 29.668 -10.455 -1.050 1.00 36.36 C ATOM 298 C LEU A 33 29.078 -10.902 -2.384 1.00 44.41 C ATOM 299 O LEU A 33 29.017 -10.082 -3.296 1.00 43.43 O ATOM 300 CB LEU A 33 31.197 -10.735 -1.054 1.00 35.94 C ATOM 301 CG LEU A 33 31.948 -10.854 0.287 1.00 40.54 C ATOM 302 CD1 LEU A 33 33.327 -11.444 0.081 1.00 40.65 C ATOM 303 CD2 LEU A 33 32.041 -9.516 0.986 1.00 43.38 C ATOM 304 H LEU A 33 29.009 -12.078 0.222 1.00 0.00 H ATOM 305 N ALA A 34 28.706 -12.206 -2.519 1.00 44.13 N ATOM 306 CA ALA A 34 28.210 -12.819 -3.760 1.00 45.04 C ATOM 307 C ALA A 34 27.101 -12.032 -4.495 1.00 51.16 C ATOM 308 O ALA A 34 27.254 -11.757 -5.695 1.00 53.29 O ATOM 309 CB ALA A 34 27.766 -14.254 -3.504 1.00 45.81 C ATOM 310 H ALA A 34 28.779 -12.815 -1.679 1.00 0.00 H ATOM 311 N GLY A 35 26.025 -11.683 -3.791 1.00 45.71 N ATOM 312 CA GLY A 35 24.895 -10.956 -4.367 1.00 45.34 C ATOM 313 C GLY A 35 23.981 -10.362 -3.314 1.00 49.94 C ATOM 314 O GLY A 35 24.076 -10.737 -2.140 1.00 49.96 O ATOM 315 H GLY A 35 25.987 -11.940 -2.784 1.00 0.00 H ATOM 316 N ASN A 36 23.097 -9.420 -3.716 1.00 46.11 N ATOM 317 CA ASN A 36 22.170 -8.738 -2.802 1.00 46.36 C ATOM 318 C ASN A 36 20.859 -9.522 -2.593 1.00 49.82 C ATOM 319 O ASN A 36 19.773 -9.058 -2.954 1.00 49.49 O ATOM 320 CB ASN A 36 21.922 -7.277 -3.247 1.00 51.13 C ATOM 321 CG ASN A 36 21.389 -6.371 -2.153 1.00 80.46 C ATOM 322 OD1 ASN A 36 20.316 -5.774 -2.276 1.00 81.11 O ATOM 323 ND2 ASN A 36 22.140 -6.212 -1.073 1.00 70.27 N ATOM 324 HD22 ASN A 36 23.041 -6.723 -0.987 1.00 0.00 H ATOM 325 HD21 ASN A 36 21.828 -5.576 -0.312 1.00 0.00 H ATOM 326 H ASN A 36 23.072 -9.165 -4.724 1.00 0.00 H ATOM 327 N LYS A 37 20.985 -10.708 -1.977 1.00 46.24 N ATOM 328 CA LYS A 37 19.895 -11.643 -1.690 1.00 46.02 C ATOM 329 C LYS A 37 19.748 -11.832 -0.171 1.00 47.26 C ATOM 330 O LYS A 37 20.519 -11.243 0.591 1.00 47.29 O ATOM 331 CB LYS A 37 20.199 -12.999 -2.352 1.00 49.42 C ATOM 332 CG LYS A 37 20.162 -12.989 -3.881 1.00 71.17 C ATOM 333 CD LYS A 37 20.450 -14.375 -4.489 1.00 81.91 C ATOM 334 CE LYS A 37 21.901 -14.596 -4.874 1.00 85.73 C ATOM 335 NZ LYS A 37 22.137 -15.977 -5.373 1.00 86.26 N ATOM 336 HZ1 LYS A 37 21.889 -16.660 -4.629 1.00 0.00 H ATOM 337 HZ2 LYS A 37 21.547 -16.147 -6.212 1.00 0.00 H ATOM 338 HZ3 LYS A 37 23.140 -16.087 -5.625 1.00 0.00 H ATOM 339 H LYS A 37 21.941 -10.987 -1.677 1.00 0.00 H ATOM 340 N LEU A 38 18.751 -12.633 0.270 1.00 40.32 N ATOM 341 CA LEU A 38 18.559 -12.949 1.690 1.00 38.22 C ATOM 342 C LEU A 38 19.578 -14.024 1.989 1.00 38.08 C ATOM 343 O LEU A 38 19.620 -15.031 1.278 1.00 36.22 O ATOM 344 CB LEU A 38 17.147 -13.462 1.959 1.00 38.43 C ATOM 345 CG LEU A 38 16.493 -12.939 3.205 1.00 43.58 C ATOM 346 CD1 LEU A 38 15.382 -11.975 2.858 1.00 46.53 C ATOM 347 CD2 LEU A 38 15.943 -14.069 4.016 1.00 44.37 C ATOM 348 H LEU A 38 18.094 -13.041 -0.425 1.00 0.00 H ATOM 349 N ALA A 39 20.477 -13.766 2.963 1.00 32.48 N ATOM 350 CA ALA A 39 21.572 -14.671 3.289 1.00 31.61 C ATOM 351 C ALA A 39 21.885 -14.766 4.788 1.00 35.06 C ATOM 352 O ALA A 39 21.517 -13.879 5.553 1.00 32.49 O ATOM 353 CB ALA A 39 22.819 -14.261 2.528 1.00 31.73 C ATOM 354 H ALA A 39 20.384 -12.883 3.504 1.00 0.00 H ATOM 355 N CYS A 40 22.581 -15.853 5.193 1.00 32.58 N ATOM 356 CA CYS A 40 22.987 -16.077 6.580 1.00 32.43 C ATOM 357 C CYS A 40 24.195 -17.011 6.710 1.00 36.61 C ATOM 358 O CYS A 40 24.555 -17.702 5.752 1.00 35.52 O ATOM 359 CB CYS A 40 21.813 -16.530 7.450 1.00 33.01 C ATOM 360 SG CYS A 40 20.975 -18.044 6.898 1.00 37.13 S ATOM 361 H CYS A 40 22.841 -16.566 4.482 1.00 0.00 H ATOM 362 N ALA A 41 24.855 -16.973 7.891 1.00 30.92 N ATOM 363 CA ALA A 41 25.993 -17.812 8.250 1.00 29.68 C ATOM 364 C ALA A 41 26.035 -18.047 9.764 1.00 31.62 C ATOM 365 O ALA A 41 25.320 -17.380 10.514 1.00 28.40 O ATOM 366 CB ALA A 41 27.299 -17.171 7.791 1.00 29.90 C ATOM 367 H ALA A 41 24.523 -16.289 8.601 1.00 0.00 H ATOM 368 N ILE A 42 26.851 -19.038 10.180 1.00 28.37 N ATOM 369 CA ILE A 42 27.179 -19.403 11.554 1.00 27.07 C ATOM 370 C ILE A 42 28.694 -19.255 11.623 1.00 30.26 C ATOM 371 O ILE A 42 29.419 -19.893 10.853 1.00 29.32 O ATOM 372 CB ILE A 42 26.617 -20.768 12.028 1.00 30.18 C ATOM 373 CG1 ILE A 42 25.124 -20.631 12.371 1.00 30.18 C ATOM 374 CG2 ILE A 42 27.377 -21.269 13.244 1.00 32.10 C ATOM 375 CD1 ILE A 42 24.400 -21.872 12.763 1.00 39.83 C ATOM 376 H ILE A 42 27.298 -19.608 9.434 1.00 0.00 H ATOM 377 N VAL A 43 29.162 -18.317 12.474 1.00 26.13 N ATOM 378 CA VAL A 43 30.572 -17.918 12.579 1.00 26.81 C ATOM 379 C VAL A 43 31.148 -18.113 13.976 1.00 34.27 C ATOM 380 O VAL A 43 30.506 -17.731 14.946 1.00 33.71 O ATOM 381 CB VAL A 43 30.750 -16.449 12.086 1.00 30.50 C ATOM 382 CG1 VAL A 43 32.218 -16.021 12.093 1.00 30.20 C ATOM 383 CG2 VAL A 43 30.143 -16.255 10.694 1.00 30.04 C ATOM 384 H VAL A 43 28.477 -17.844 13.098 1.00 0.00 H ATOM 385 N ASN A 44 32.389 -18.638 14.066 1.00 32.26 N ATOM 386 CA ASN A 44 33.082 -18.831 15.332 1.00 32.91 C ATOM 387 C ASN A 44 33.936 -17.606 15.653 1.00 35.77 C ATOM 388 O ASN A 44 34.545 -17.044 14.741 1.00 35.00 O ATOM 389 CB ASN A 44 33.975 -20.077 15.272 1.00 33.16 C ATOM 390 CG ASN A 44 34.249 -20.664 16.631 1.00 45.29 C ATOM 391 OD1 ASN A 44 35.227 -20.308 17.322 1.00 34.74 O ATOM 392 ND2 ASN A 44 33.387 -21.588 17.033 1.00 29.87 N ATOM 393 HD22 ASN A 44 32.587 -21.853 16.424 1.00 0.00 H ATOM 394 HD21 ASN A 44 33.511 -22.048 17.958 1.00 0.00 H ATOM 395 H ASN A 44 32.873 -18.918 13.189 1.00 0.00 H ATOM 396 N THR A 45 34.050 -17.246 16.955 1.00 31.53 N ATOM 397 CA THR A 45 34.862 -16.113 17.429 1.00 30.87 C ATOM 398 C THR A 45 36.334 -16.361 17.205 1.00 38.47 C ATOM 399 O THR A 45 37.097 -15.413 17.042 1.00 40.80 O ATOM 400 CB THR A 45 34.627 -15.812 18.930 1.00 35.07 C ATOM 401 OG1 THR A 45 34.958 -16.956 19.721 1.00 33.97 O ATOM 402 CG2 THR A 45 33.228 -15.301 19.237 1.00 29.79 C ATOM 403 HG1 THR A 45 34.804 -16.751 20.677 1.00 0.00 H ATOM 404 H THR A 45 33.532 -17.805 17.663 1.00 0.00 H ATOM 405 N ALA A 46 36.748 -17.623 17.226 1.00 35.94 N ATOM 406 CA ALA A 46 38.144 -17.978 17.058 1.00 36.04 C ATOM 407 C ALA A 46 38.430 -18.541 15.673 1.00 42.11 C ATOM 408 O ALA A 46 37.505 -18.841 14.915 1.00 41.09 O ATOM 409 CB ALA A 46 38.550 -18.966 18.149 1.00 36.76 C ATOM 410 H ALA A 46 36.049 -18.380 17.367 1.00 0.00 H ATOM 411 N GLY A 47 39.711 -18.623 15.335 1.00 41.87 N ATOM 412 CA GLY A 47 40.170 -19.195 14.074 1.00 42.94 C ATOM 413 C GLY A 47 40.214 -20.702 14.196 1.00 47.88 C ATOM 414 O GLY A 47 40.458 -21.218 15.294 1.00 47.53 O ATOM 415 H GLY A 47 40.422 -18.262 16.002 1.00 0.00 H ATOM 416 N ARG A 48 39.978 -21.419 13.077 1.00 45.28 N ATOM 417 CA ARG A 48 39.954 -22.892 12.990 1.00 45.40 C ATOM 418 C ARG A 48 41.064 -23.604 13.756 1.00 49.94 C ATOM 419 O ARG A 48 40.811 -24.667 14.338 1.00 48.98 O ATOM 420 CB ARG A 48 39.954 -23.356 11.532 1.00 45.47 C ATOM 421 CG ARG A 48 38.572 -23.458 10.928 1.00 56.69 C ATOM 422 CD ARG A 48 38.650 -24.050 9.528 1.00 64.35 C ATOM 423 NE ARG A 48 37.417 -23.840 8.774 1.00 62.93 N ATOM 424 CZ ARG A 48 36.375 -24.662 8.802 1.00 72.16 C ATOM 425 NH1 ARG A 48 35.288 -24.391 8.091 1.00 58.90 N ATOM 426 NH2 ARG A 48 36.405 -25.757 9.551 1.00 54.52 N ATOM 427 HE ARG A 48 37.351 -22.991 8.176 1.00 0.00 H ATOM 428 HH12 ARG A 48 34.475 -25.039 8.117 1.00 0.00 H ATOM 429 HH11 ARG A 48 35.249 -23.531 7.508 1.00 0.00 H ATOM 430 HH22 ARG A 48 35.586 -26.397 9.569 1.00 0.00 H ATOM 431 HH21 ARG A 48 37.248 -25.975 10.120 1.00 0.00 H ATOM 432 H ARG A 48 39.798 -20.888 12.201 1.00 0.00 H ATOM 433 N GLU A 49 42.284 -23.000 13.754 1.00 47.88 N ATOM 434 CA GLU A 49 43.513 -23.466 14.404 1.00 48.09 C ATOM 435 C GLU A 49 43.390 -23.639 15.946 1.00 51.88 C ATOM 436 O GLU A 49 44.047 -24.517 16.510 1.00 52.46 O ATOM 437 CB GLU A 49 44.720 -22.572 14.028 1.00 49.54 C ATOM 438 CG GLU A 49 44.766 -21.180 14.652 1.00 61.89 C ATOM 439 CD GLU A 49 43.861 -20.107 14.072 1.00 78.09 C ATOM 440 OE1 GLU A 49 43.487 -19.187 14.834 1.00 64.98 O ATOM 441 OE2 GLU A 49 43.549 -20.163 12.859 1.00 69.90 O ATOM 442 H GLU A 49 42.352 -22.104 13.231 1.00 0.00 H ATOM 443 N THR A 50 42.563 -22.819 16.614 1.00 46.93 N ATOM 444 CA THR A 50 42.332 -22.933 18.059 1.00 45.93 C ATOM 445 C THR A 50 41.458 -24.175 18.376 1.00 48.37 C ATOM 446 O THR A 50 41.537 -24.716 19.475 1.00 48.00 O ATOM 447 CB THR A 50 41.601 -21.699 18.583 1.00 54.62 C ATOM 448 OG1 THR A 50 40.310 -21.650 17.977 1.00 52.39 O ATOM 449 CG2 THR A 50 42.374 -20.403 18.348 1.00 55.85 C ATOM 450 HG1 THR A 50 40.410 -21.593 16.994 1.00 0.00 H ATOM 451 H THR A 50 42.066 -22.073 16.086 1.00 0.00 H ATOM 452 N GLY A 51 40.602 -24.552 17.427 1.00 43.89 N ATOM 453 CA GLY A 51 39.652 -25.647 17.555 1.00 43.35 C ATOM 454 C GLY A 51 38.232 -25.144 17.706 1.00 46.78 C ATOM 455 O GLY A 51 37.287 -25.934 17.652 1.00 46.83 O ATOM 456 H GLY A 51 40.614 -24.026 16.530 1.00 0.00 H ATOM 457 N GLY A 52 38.094 -23.827 17.882 1.00 42.87 N ATOM 458 CA GLY A 52 36.809 -23.162 18.063 1.00 42.00 C ATOM 459 C GLY A 52 36.514 -22.841 19.512 1.00 43.06 C ATOM 460 O GLY A 52 36.906 -23.591 20.408 1.00 42.13 O ATOM 461 H GLY A 52 38.954 -23.242 17.890 1.00 0.00 H ATOM 462 N VAL A 53 35.811 -21.720 19.752 1.00 38.32 N ATOM 463 CA VAL A 53 35.469 -21.246 21.099 1.00 36.58 C ATOM 464 C VAL A 53 33.966 -20.911 21.228 1.00 36.46 C ATOM 465 O VAL A 53 33.256 -21.597 21.967 1.00 34.03 O ATOM 466 CB VAL A 53 36.402 -20.067 21.533 1.00 39.44 C ATOM 467 CG1 VAL A 53 35.917 -19.392 22.817 1.00 39.56 C ATOM 468 CG2 VAL A 53 37.841 -20.525 21.687 1.00 38.55 C ATOM 469 H VAL A 53 35.492 -21.157 18.938 1.00 0.00 H ATOM 470 N HIS A 54 33.483 -19.854 20.533 1.00 31.28 N ATOM 471 CA HIS A 54 32.074 -19.440 20.671 1.00 29.55 C ATOM 472 C HIS A 54 31.333 -19.326 19.327 1.00 31.66 C ATOM 473 O HIS A 54 31.904 -18.843 18.365 1.00 31.07 O ATOM 474 CB HIS A 54 32.042 -18.123 21.480 1.00 29.25 C ATOM 475 CG HIS A 54 30.692 -17.522 21.729 1.00 31.85 C ATOM 476 ND1 HIS A 54 29.643 -18.271 22.216 1.00 33.49 N ATOM 477 CD2 HIS A 54 30.306 -16.230 21.658 1.00 32.67 C ATOM 478 CE1 HIS A 54 28.632 -17.431 22.340 1.00 32.52 C ATOM 479 NE2 HIS A 54 28.995 -16.189 22.042 1.00 32.65 N ATOM 480 H HIS A 54 34.113 -19.328 19.894 1.00 0.00 H ATOM 481 N TRP A 55 30.073 -19.748 19.266 1.00 29.48 N ATOM 482 CA TRP A 55 29.295 -19.655 18.026 1.00 31.20 C ATOM 483 C TRP A 55 28.418 -18.370 17.923 1.00 33.18 C ATOM 484 O TRP A 55 27.715 -18.046 18.880 1.00 29.17 O ATOM 485 CB TRP A 55 28.421 -20.912 17.837 1.00 30.35 C ATOM 486 CG TRP A 55 29.195 -22.162 17.499 1.00 32.25 C ATOM 487 CD1 TRP A 55 29.339 -23.273 18.276 1.00 35.10 C ATOM 488 CD2 TRP A 55 29.917 -22.423 16.287 1.00 32.44 C ATOM 489 NE1 TRP A 55 30.119 -24.203 17.632 1.00 35.00 N ATOM 490 CE2 TRP A 55 30.506 -23.699 16.418 1.00 36.79 C ATOM 491 CE3 TRP A 55 30.157 -21.684 15.115 1.00 34.03 C ATOM 492 CZ2 TRP A 55 31.265 -24.280 15.396 1.00 36.32 C ATOM 493 CZ3 TRP A 55 30.915 -22.257 14.106 1.00 35.63 C ATOM 494 CH2 TRP A 55 31.478 -23.531 14.259 1.00 36.19 C ATOM 495 HE1 TRP A 55 30.375 -25.139 18.006 1.00 0.00 H ATOM 496 H TRP A 55 29.630 -20.152 20.116 1.00 0.00 H ATOM 497 N LEU A 56 28.428 -17.685 16.732 1.00 29.53 N ATOM 498 CA LEU A 56 27.588 -16.494 16.417 1.00 29.08 C ATOM 499 C LEU A 56 26.807 -16.693 15.085 1.00 32.44 C ATOM 500 O LEU A 56 27.220 -17.505 14.244 1.00 29.82 O ATOM 501 CB LEU A 56 28.405 -15.191 16.334 1.00 28.86 C ATOM 502 CG LEU A 56 29.390 -14.879 17.463 1.00 33.37 C ATOM 503 CD1 LEU A 56 30.360 -13.807 17.054 1.00 32.63 C ATOM 504 CD2 LEU A 56 28.673 -14.475 18.719 1.00 36.44 C ATOM 505 H LEU A 56 29.073 -18.025 15.991 1.00 0.00 H ATOM 506 N ALA A 57 25.689 -15.955 14.901 1.00 27.06 N ATOM 507 CA ALA A 57 24.902 -16.035 13.664 1.00 26.72 C ATOM 508 C ALA A 57 24.810 -14.649 12.990 1.00 28.93 C ATOM 509 O ALA A 57 24.639 -13.645 13.669 1.00 26.26 O ATOM 510 CB ALA A 57 23.515 -16.579 13.950 1.00 27.31 C ATOM 511 H ALA A 57 25.378 -15.312 15.657 1.00 0.00 H ATOM 512 N PHE A 58 24.980 -14.603 11.664 1.00 24.88 N ATOM 513 CA PHE A 58 24.954 -13.363 10.875 1.00 23.57 C ATOM 514 C PHE A 58 23.918 -13.505 9.790 1.00 30.25 C ATOM 515 O PHE A 58 23.862 -14.552 9.150 1.00 29.89 O ATOM 516 CB PHE A 58 26.335 -13.085 10.243 1.00 23.87 C ATOM 517 CG PHE A 58 27.376 -12.501 11.163 1.00 25.10 C ATOM 518 CD1 PHE A 58 28.319 -13.319 11.785 1.00 27.39 C ATOM 519 CD2 PHE A 58 27.456 -11.128 11.367 1.00 26.05 C ATOM 520 CE1 PHE A 58 29.278 -12.783 12.638 1.00 27.88 C ATOM 521 CE2 PHE A 58 28.432 -10.591 12.202 1.00 28.69 C ATOM 522 CZ PHE A 58 29.333 -11.420 12.842 1.00 27.13 C ATOM 523 H PHE A 58 25.140 -15.499 11.161 1.00 0.00 H ATOM 524 N GLY A 59 23.074 -12.490 9.645 1.00 29.39 N ATOM 525 CA GLY A 59 22.024 -12.427 8.633 1.00 30.16 C ATOM 526 C GLY A 59 22.140 -11.171 7.795 1.00 37.43 C ATOM 527 O GLY A 59 22.655 -10.155 8.273 1.00 36.93 O ATOM 528 H GLY A 59 23.168 -11.685 10.297 1.00 0.00 H ATOM 529 N TRP A 60 21.710 -11.240 6.517 1.00 36.45 N ATOM 530 CA TRP A 60 21.689 -10.088 5.611 1.00 36.78 C ATOM 531 C TRP A 60 20.307 -9.934 4.998 1.00 37.71 C ATOM 532 O TRP A 60 19.797 -10.854 4.327 1.00 34.38 O ATOM 533 CB TRP A 60 22.770 -10.181 4.518 1.00 36.95 C ATOM 534 CG TRP A 60 22.713 -9.076 3.498 1.00 39.41 C ATOM 535 CD1 TRP A 60 22.197 -9.153 2.238 1.00 42.73 C ATOM 536 CD2 TRP A 60 23.160 -7.717 3.666 1.00 39.86 C ATOM 537 NE1 TRP A 60 22.331 -7.943 1.595 1.00 42.73 N ATOM 538 CE2 TRP A 60 22.906 -7.039 2.454 1.00 44.37 C ATOM 539 CE3 TRP A 60 23.737 -7.003 4.728 1.00 41.57 C ATOM 540 CZ2 TRP A 60 23.208 -5.678 2.276 1.00 44.11 C ATOM 541 CZ3 TRP A 60 24.037 -5.657 4.549 1.00 43.42 C ATOM 542 CH2 TRP A 60 23.808 -5.019 3.321 1.00 44.10 C ATOM 543 HE1 TRP A 60 22.043 -7.745 0.615 1.00 0.00 H ATOM 544 H TRP A 60 21.377 -12.157 6.157 1.00 0.00 H ATOM 545 N ASN A 61 19.683 -8.782 5.253 1.00 33.55 N ATOM 546 CA ASN A 61 18.408 -8.496 4.649 1.00 33.95 C ATOM 547 C ASN A 61 18.662 -7.460 3.542 1.00 41.00 C ATOM 548 O ASN A 61 19.110 -6.352 3.853 1.00 39.87 O ATOM 549 CB ASN A 61 17.375 -8.012 5.682 1.00 35.28 C ATOM 550 CG ASN A 61 15.982 -7.800 5.135 1.00 49.32 C ATOM 551 OD1 ASN A 61 15.663 -8.122 3.992 1.00 52.43 O ATOM 552 ND2 ASN A 61 15.108 -7.264 5.954 1.00 43.49 N ATOM 553 HD22 ASN A 61 15.394 -6.997 6.918 1.00 0.00 H ATOM 554 HD21 ASN A 61 14.129 -7.106 5.639 1.00 0.00 H ATOM 555 H ASN A 61 20.120 -8.087 5.892 1.00 0.00 H ATOM 556 N PRO A 62 18.447 -7.817 2.246 1.00 39.72 N ATOM 557 CA PRO A 62 18.680 -6.834 1.172 1.00 40.26 C ATOM 558 C PRO A 62 17.691 -5.660 1.144 1.00 47.39 C ATOM 559 O PRO A 62 18.099 -4.561 0.773 1.00 48.27 O ATOM 560 CB PRO A 62 18.617 -7.678 -0.102 1.00 41.79 C ATOM 561 CG PRO A 62 17.770 -8.829 0.248 1.00 45.94 C ATOM 562 CD PRO A 62 17.981 -9.109 1.703 1.00 41.26 C ATOM 563 N ARG A 63 16.417 -5.879 1.560 1.00 44.83 N ATOM 564 CA ARG A 63 15.339 -4.881 1.567 1.00 45.28 C ATOM 565 C ARG A 63 15.603 -3.675 2.457 1.00 49.81 C ATOM 566 O ARG A 63 15.114 -2.586 2.150 1.00 50.12 O ATOM 567 CB ARG A 63 13.980 -5.514 1.917 1.00 46.33 C ATOM 568 H ARG A 63 16.185 -6.833 1.902 1.00 0.00 H ATOM 569 N SER A 64 16.367 -3.853 3.541 1.00 45.61 N ATOM 570 CA SER A 64 16.703 -2.755 4.448 1.00 45.56 C ATOM 571 C SER A 64 18.207 -2.445 4.465 1.00 48.02 C ATOM 572 O SER A 64 18.600 -1.420 5.015 1.00 48.62 O ATOM 573 CB SER A 64 16.200 -3.050 5.862 1.00 49.43 C ATOM 574 OG SER A 64 16.698 -4.276 6.373 1.00 54.17 O ATOM 575 HG SER A 64 17.687 -4.243 6.402 1.00 0.00 H ATOM 576 H SER A 64 16.735 -4.804 3.746 1.00 0.00 H ATOM 577 N ARG A 65 19.032 -3.311 3.831 1.00 42.98 N ATOM 578 CA ARG A 65 20.503 -3.282 3.826 1.00 42.05 C ATOM 579 C ARG A 65 20.998 -3.386 5.289 1.00 42.48 C ATOM 580 O ARG A 65 21.733 -2.526 5.788 1.00 40.34 O ATOM 581 CB ARG A 65 21.095 -2.073 3.063 1.00 43.33 C ATOM 582 CG ARG A 65 21.402 -2.341 1.581 1.00 55.98 C ATOM 583 CD ARG A 65 20.451 -1.634 0.616 1.00 72.66 C ATOM 584 NE ARG A 65 20.339 -0.199 0.895 1.00 88.76 N ATOM 585 CZ ARG A 65 19.260 0.387 1.413 1.00105.46 C ATOM 586 NH1 ARG A 65 19.259 1.690 1.656 1.00 95.56 N ATOM 587 NH2 ARG A 65 18.176 -0.328 1.693 1.00 88.91 N ATOM 588 HE ARG A 65 21.158 0.403 0.673 1.00 0.00 H ATOM 589 HH12 ARG A 65 18.415 2.143 2.060 1.00 0.00 H ATOM 590 HH11 ARG A 65 20.103 2.259 1.442 1.00 0.00 H ATOM 591 HH22 ARG A 65 17.337 0.136 2.097 1.00 0.00 H ATOM 592 HH21 ARG A 65 18.166 -1.351 1.508 1.00 0.00 H ATOM 593 H ARG A 65 18.579 -4.076 3.292 1.00 0.00 H ATOM 594 N THR A 66 20.490 -4.417 5.993 1.00 38.10 N ATOM 595 CA THR A 66 20.819 -4.679 7.398 1.00 36.64 C ATOM 596 C THR A 66 21.631 -5.963 7.592 1.00 37.89 C ATOM 597 O THR A 66 21.257 -7.044 7.099 1.00 36.76 O ATOM 598 CB THR A 66 19.558 -4.671 8.281 1.00 33.65 C ATOM 599 OG1 THR A 66 18.911 -3.408 8.148 1.00 41.57 O ATOM 600 CG2 THR A 66 19.852 -4.950 9.800 1.00 25.69 C ATOM 601 HG1 THR A 66 18.659 -3.266 7.201 1.00 0.00 H ATOM 602 H THR A 66 19.829 -5.062 5.514 1.00 0.00 H ATOM 603 N CYS A 67 22.725 -5.832 8.349 1.00 31.17 N ATOM 604 CA CYS A 67 23.468 -6.983 8.789 1.00 29.22 C ATOM 605 C CYS A 67 23.033 -7.252 10.224 1.00 33.59 C ATOM 606 O CYS A 67 23.217 -6.404 11.108 1.00 31.77 O ATOM 607 CB CYS A 67 24.970 -6.787 8.694 1.00 28.94 C ATOM 608 SG CYS A 67 25.914 -8.249 9.185 1.00 32.10 S ATOM 609 H CYS A 67 23.045 -4.882 8.625 1.00 0.00 H ATOM 610 N TYR A 68 22.396 -8.424 10.445 1.00 29.30 N ATOM 611 CA TYR A 68 21.994 -8.812 11.777 1.00 28.26 C ATOM 612 C TYR A 68 23.125 -9.616 12.385 1.00 28.75 C ATOM 613 O TYR A 68 23.677 -10.476 11.709 1.00 28.17 O ATOM 614 CB TYR A 68 20.684 -9.628 11.741 1.00 29.44 C ATOM 615 CG TYR A 68 19.462 -8.786 11.450 1.00 31.19 C ATOM 616 CD1 TYR A 68 18.929 -8.713 10.167 1.00 32.71 C ATOM 617 CD2 TYR A 68 18.813 -8.093 12.466 1.00 32.10 C ATOM 618 CE1 TYR A 68 17.783 -7.961 9.902 1.00 32.65 C ATOM 619 CE2 TYR A 68 17.694 -7.306 12.205 1.00 33.33 C ATOM 620 CZ TYR A 68 17.187 -7.232 10.921 1.00 41.25 C ATOM 621 OH TYR A 68 16.069 -6.455 10.701 1.00 44.13 O ATOM 622 HH TYR A 68 15.822 -6.497 9.743 1.00 0.00 H ATOM 623 H TYR A 68 22.192 -9.055 9.644 1.00 0.00 H ATOM 624 N MET A 69 23.509 -9.321 13.638 1.00 25.15 N ATOM 625 CA MET A 69 24.558 -10.077 14.325 1.00 27.19 C ATOM 626 C MET A 69 23.937 -10.636 15.611 1.00 31.41 C ATOM 627 O MET A 69 23.554 -9.860 16.487 1.00 32.45 O ATOM 628 CB MET A 69 25.800 -9.208 14.601 1.00 30.22 C ATOM 629 CG MET A 69 26.964 -9.978 15.208 1.00 35.33 C ATOM 630 SD MET A 69 27.560 -9.298 16.778 1.00 41.11 S ATOM 631 CE MET A 69 26.678 -10.297 17.883 1.00 37.94 C ATOM 632 H MET A 69 23.048 -8.532 14.135 1.00 0.00 H ATOM 633 N PHE A 70 23.805 -11.964 15.701 1.00 29.07 N ATOM 634 CA PHE A 70 23.221 -12.606 16.878 1.00 28.25 C ATOM 635 C PHE A 70 24.262 -13.321 17.712 1.00 33.35 C ATOM 636 O PHE A 70 24.902 -14.241 17.231 1.00 34.79 O ATOM 637 CB PHE A 70 22.042 -13.535 16.509 1.00 28.80 C ATOM 638 CG PHE A 70 21.474 -14.343 17.659 1.00 29.10 C ATOM 639 CD1 PHE A 70 20.396 -13.874 18.393 1.00 31.79 C ATOM 640 CD2 PHE A 70 22.037 -15.562 18.022 1.00 29.34 C ATOM 641 CE1 PHE A 70 19.866 -14.625 19.433 1.00 32.50 C ATOM 642 CE2 PHE A 70 21.530 -16.292 19.093 1.00 31.65 C ATOM 643 CZ PHE A 70 20.433 -15.839 19.774 1.00 29.53 C ATOM 644 H PHE A 70 24.127 -12.558 14.910 1.00 0.00 H ATOM 645 N ASP A 71 24.432 -12.876 18.973 1.00 30.39 N ATOM 646 CA ASP A 71 25.264 -13.501 19.992 1.00 29.46 C ATOM 647 C ASP A 71 24.239 -13.899 21.038 1.00 32.18 C ATOM 648 O ASP A 71 23.522 -13.019 21.552 1.00 29.55 O ATOM 649 CB ASP A 71 26.295 -12.525 20.607 1.00 32.19 C ATOM 650 CG ASP A 71 27.047 -13.038 21.835 1.00 36.02 C ATOM 651 OD1 ASP A 71 27.077 -14.271 22.051 1.00 34.14 O ATOM 652 OD2 ASP A 71 27.616 -12.212 22.566 1.00 39.54 O ATOM 653 H ASP A 71 23.924 -12.009 19.242 1.00 0.00 H ATOM 654 N PRO A 72 24.110 -15.222 21.335 1.00 28.00 N ATOM 655 CA PRO A 72 23.109 -15.656 22.333 1.00 26.58 C ATOM 656 C PRO A 72 23.201 -14.917 23.676 1.00 29.54 C ATOM 657 O PRO A 72 22.187 -14.696 24.326 1.00 28.44 O ATOM 658 CB PRO A 72 23.367 -17.165 22.461 1.00 27.58 C ATOM 659 CG PRO A 72 24.738 -17.381 21.893 1.00 31.71 C ATOM 660 CD PRO A 72 24.859 -16.379 20.794 1.00 27.80 C ATOM 661 N PHE A 73 24.419 -14.514 24.052 1.00 26.98 N ATOM 662 CA PHE A 73 24.740 -13.769 25.266 1.00 28.12 C ATOM 663 C PHE A 73 24.430 -12.251 25.183 1.00 33.73 C ATOM 664 O PHE A 73 24.432 -11.569 26.217 1.00 34.27 O ATOM 665 CB PHE A 73 26.222 -13.981 25.608 1.00 30.37 C ATOM 666 CG PHE A 73 26.595 -15.349 26.146 1.00 31.93 C ATOM 667 CD1 PHE A 73 27.793 -15.949 25.788 1.00 33.46 C ATOM 668 CD2 PHE A 73 25.759 -16.016 27.044 1.00 34.62 C ATOM 669 CE1 PHE A 73 28.156 -17.185 26.311 1.00 34.82 C ATOM 670 CE2 PHE A 73 26.133 -17.250 27.584 1.00 36.54 C ATOM 671 CZ PHE A 73 27.321 -17.831 27.203 1.00 34.42 C ATOM 672 H PHE A 73 25.211 -14.753 23.422 1.00 0.00 H ATOM 673 N GLY A 74 24.185 -11.754 23.964 1.00 29.08 N ATOM 674 CA GLY A 74 23.907 -10.348 23.680 1.00 27.44 C ATOM 675 C GLY A 74 25.005 -9.398 24.103 1.00 29.03 C ATOM 676 O GLY A 74 24.701 -8.286 24.529 1.00 29.65 O ATOM 677 H GLY A 74 24.193 -12.416 23.162 1.00 0.00 H ATOM 678 N PHE A 75 26.289 -9.815 23.984 1.00 25.61 N ATOM 679 CA PHE A 75 27.448 -8.968 24.348 1.00 25.27 C ATOM 680 C PHE A 75 27.594 -7.853 23.326 1.00 30.87 C ATOM 681 O PHE A 75 27.079 -7.946 22.210 1.00 30.00 O ATOM 682 CB PHE A 75 28.786 -9.741 24.419 1.00 27.36 C ATOM 683 CG PHE A 75 29.058 -10.568 25.662 1.00 31.18 C ATOM 684 CD1 PHE A 75 29.048 -11.959 25.608 1.00 34.42 C ATOM 685 CD2 PHE A 75 29.385 -9.958 26.870 1.00 34.72 C ATOM 686 CE1 PHE A 75 29.305 -12.725 26.756 1.00 35.37 C ATOM 687 CE2 PHE A 75 29.611 -10.723 28.022 1.00 37.31 C ATOM 688 CZ PHE A 75 29.575 -12.101 27.955 1.00 35.54 C ATOM 689 H PHE A 75 26.468 -10.773 23.621 1.00 0.00 H ATOM 690 N SER A 76 28.316 -6.802 23.708 1.00 27.42 N ATOM 691 CA SER A 76 28.574 -5.669 22.828 1.00 27.02 C ATOM 692 C SER A 76 29.824 -6.015 22.022 1.00 33.71 C ATOM 693 O SER A 76 30.560 -6.930 22.413 1.00 34.34 O ATOM 694 CB SER A 76 28.816 -4.421 23.671 1.00 23.10 C ATOM 695 OG SER A 76 30.029 -4.625 24.365 1.00 23.31 O ATOM 696 HG SER A 76 30.224 -3.833 24.927 1.00 0.00 H ATOM 697 H SER A 76 28.711 -6.789 24.670 1.00 0.00 H ATOM 698 N ASP A 77 30.099 -5.273 20.929 1.00 29.37 N ATOM 699 CA ASP A 77 31.312 -5.491 20.144 1.00 28.06 C ATOM 700 C ASP A 77 32.573 -5.358 20.998 1.00 31.32 C ATOM 701 O ASP A 77 33.538 -6.125 20.807 1.00 29.06 O ATOM 702 CB ASP A 77 31.392 -4.510 18.959 1.00 29.80 C ATOM 703 CG ASP A 77 30.338 -4.703 17.892 1.00 41.44 C ATOM 704 OD1 ASP A 77 30.339 -3.928 16.920 1.00 44.25 O ATOM 705 OD2 ASP A 77 29.518 -5.644 18.020 1.00 45.41 O ATOM 706 H ASP A 77 29.433 -4.529 20.639 1.00 0.00 H ATOM 707 N ARG A 78 32.576 -4.361 21.921 1.00 28.59 N ATOM 708 CA ARG A 78 33.706 -4.090 22.809 1.00 28.02 C ATOM 709 C ARG A 78 33.942 -5.307 23.735 1.00 30.90 C ATOM 710 O ARG A 78 35.081 -5.672 24.013 1.00 29.24 O ATOM 711 CB ARG A 78 33.447 -2.822 23.638 1.00 28.41 C ATOM 712 H ARG A 78 31.731 -3.760 22.000 1.00 0.00 H ATOM 713 N ARG A 79 32.856 -5.904 24.201 1.00 29.34 N ATOM 714 CA ARG A 79 32.869 -7.060 25.086 1.00 29.95 C ATOM 715 C ARG A 79 33.175 -8.339 24.343 1.00 36.16 C ATOM 716 O ARG A 79 33.843 -9.186 24.907 1.00 37.05 O ATOM 717 CB ARG A 79 31.591 -7.151 25.912 1.00 29.53 C ATOM 718 CG ARG A 79 31.626 -6.227 27.125 1.00 38.52 C ATOM 719 CD ARG A 79 32.488 -6.773 28.251 1.00 45.45 C ATOM 720 NE ARG A 79 31.725 -7.687 29.092 1.00 45.85 N ATOM 721 CZ ARG A 79 32.226 -8.366 30.111 1.00 51.76 C ATOM 722 NH1 ARG A 79 33.511 -8.269 30.410 1.00 42.48 N ATOM 723 NH2 ARG A 79 31.446 -9.160 30.835 1.00 33.14 N ATOM 724 HE ARG A 79 30.716 -7.814 28.876 1.00 0.00 H ATOM 725 HH12 ARG A 79 33.900 -8.805 31.212 1.00 0.00 H ATOM 726 HH11 ARG A 79 34.132 -7.657 29.843 1.00 0.00 H ATOM 727 HH22 ARG A 79 31.845 -9.692 31.635 1.00 0.00 H ATOM 728 HH21 ARG A 79 30.436 -9.250 30.602 1.00 0.00 H ATOM 729 H ARG A 79 31.932 -5.522 23.916 1.00 0.00 H ATOM 730 N LEU A 80 32.780 -8.455 23.051 1.00 32.44 N ATOM 731 CA LEU A 80 33.138 -9.623 22.238 1.00 30.69 C ATOM 732 C LEU A 80 34.634 -9.612 21.973 1.00 31.33 C ATOM 733 O LEU A 80 35.262 -10.667 21.950 1.00 30.28 O ATOM 734 CB LEU A 80 32.358 -9.671 20.893 1.00 30.09 C ATOM 735 CG LEU A 80 30.864 -9.958 20.951 1.00 33.76 C ATOM 736 CD1 LEU A 80 30.198 -9.605 19.659 1.00 33.21 C ATOM 737 CD2 LEU A 80 30.573 -11.425 21.287 1.00 36.05 C ATOM 738 H LEU A 80 32.209 -7.697 22.626 1.00 0.00 H ATOM 739 N LYS A 81 35.204 -8.420 21.780 1.00 26.52 N ATOM 740 CA LYS A 81 36.635 -8.215 21.523 1.00 26.68 C ATOM 741 C LYS A 81 37.497 -8.459 22.785 1.00 30.44 C ATOM 742 O LYS A 81 38.608 -8.983 22.696 1.00 29.29 O ATOM 743 CB LYS A 81 36.865 -6.809 20.916 1.00 28.64 C ATOM 744 CG LYS A 81 38.324 -6.330 20.795 1.00 51.36 C ATOM 745 CD LYS A 81 39.183 -7.086 19.765 1.00 57.25 C ATOM 746 CE LYS A 81 40.542 -6.445 19.661 1.00 62.53 C ATOM 747 NZ LYS A 81 41.327 -6.966 18.520 1.00 66.47 N ATOM 748 HZ1 LYS A 81 41.463 -7.991 18.633 1.00 0.00 H ATOM 749 HZ2 LYS A 81 40.815 -6.779 17.634 1.00 0.00 H ATOM 750 HZ3 LYS A 81 42.253 -6.493 18.493 1.00 0.00 H ATOM 751 H LYS A 81 34.593 -7.579 21.814 1.00 0.00 H ATOM 752 N GLN A 82 37.004 -8.058 23.934 1.00 29.53 N ATOM 753 CA GLN A 82 37.731 -8.228 25.202 1.00 31.02 C ATOM 754 C GLN A 82 37.839 -9.716 25.605 1.00 34.99 C ATOM 755 O GLN A 82 38.940 -10.232 25.871 1.00 33.98 O ATOM 756 CB GLN A 82 37.009 -7.446 26.307 1.00 32.56 C ATOM 757 CG GLN A 82 37.747 -7.465 27.644 1.00 39.68 C ATOM 758 CD GLN A 82 36.969 -6.735 28.695 1.00 50.75 C ATOM 759 OE1 GLN A 82 37.303 -5.613 29.072 1.00 52.87 O ATOM 760 NE2 GLN A 82 35.898 -7.339 29.166 1.00 39.33 N ATOM 761 HE22 GLN A 82 35.644 -8.288 28.825 1.00 0.00 H ATOM 762 HE21 GLN A 82 35.306 -6.867 29.879 1.00 0.00 H ATOM 763 H GLN A 82 36.068 -7.605 23.948 1.00 0.00 H ATOM 764 N ILE A 83 36.677 -10.379 25.622 1.00 31.91 N ATOM 765 CA ILE A 83 36.484 -11.776 26.019 1.00 31.41 C ATOM 766 C ILE A 83 36.967 -12.779 24.991 1.00 34.65 C ATOM 767 O ILE A 83 37.656 -13.735 25.357 1.00 34.05 O ATOM 768 CB ILE A 83 34.979 -12.007 26.355 1.00 33.97 C ATOM 769 CG1 ILE A 83 34.510 -11.092 27.510 1.00 34.13 C ATOM 770 CG2 ILE A 83 34.691 -13.489 26.641 1.00 33.85 C ATOM 771 CD1 ILE A 83 33.007 -10.805 27.567 1.00 37.80 C ATOM 772 H ILE A 83 35.830 -9.853 25.325 1.00 0.00 H ATOM 773 N TYR A 84 36.595 -12.582 23.715 1.00 31.71 N ATOM 774 CA TYR A 84 36.851 -13.570 22.671 1.00 31.51 C ATOM 775 C TYR A 84 37.902 -13.226 21.624 1.00 36.97 C ATOM 776 O TYR A 84 38.138 -14.055 20.725 1.00 36.91 O ATOM 777 CB TYR A 84 35.522 -13.886 21.970 1.00 32.40 C ATOM 778 CG TYR A 84 34.482 -14.502 22.877 1.00 33.25 C ATOM 779 CD1 TYR A 84 33.323 -13.810 23.210 1.00 34.63 C ATOM 780 CD2 TYR A 84 34.658 -15.776 23.405 1.00 33.50 C ATOM 781 CE1 TYR A 84 32.359 -14.374 24.044 1.00 35.87 C ATOM 782 CE2 TYR A 84 33.713 -16.343 24.254 1.00 34.56 C ATOM 783 CZ TYR A 84 32.567 -15.636 24.582 1.00 40.66 C ATOM 784 OH TYR A 84 31.635 -16.212 25.416 1.00 35.42 O ATOM 785 HH TYR A 84 31.299 -17.048 25.006 1.00 0.00 H ATOM 786 H TYR A 84 36.109 -11.698 23.463 1.00 0.00 H ATOM 787 N SER A 85 38.550 -12.026 21.740 1.00 33.89 N ATOM 788 CA SER A 85 39.515 -11.453 20.783 1.00 32.44 C ATOM 789 C SER A 85 38.885 -11.417 19.368 1.00 33.88 C ATOM 790 O SER A 85 39.553 -11.629 18.356 1.00 34.31 O ATOM 791 CB SER A 85 40.855 -12.181 20.832 1.00 36.23 C ATOM 792 OG SER A 85 41.363 -12.193 22.156 1.00 45.55 O ATOM 793 HG SER A 85 42.231 -12.668 22.171 1.00 0.00 H ATOM 794 H SER A 85 38.341 -11.462 22.588 1.00 0.00 H ATOM 795 N PHE A 86 37.565 -11.177 19.328 1.00 29.05 N ATOM 796 CA PHE A 86 36.780 -11.171 18.098 1.00 28.07 C ATOM 797 C PHE A 86 36.238 -9.803 17.703 1.00 35.21 C ATOM 798 O PHE A 86 35.491 -9.162 18.451 1.00 35.46 O ATOM 799 CB PHE A 86 35.643 -12.211 18.150 1.00 28.40 C ATOM 800 CG PHE A 86 34.799 -12.259 16.892 1.00 28.86 C ATOM 801 CD1 PHE A 86 35.269 -12.881 15.741 1.00 29.85 C ATOM 802 CD2 PHE A 86 33.531 -11.686 16.863 1.00 30.09 C ATOM 803 CE1 PHE A 86 34.496 -12.911 14.571 1.00 29.55 C ATOM 804 CE2 PHE A 86 32.776 -11.677 15.682 1.00 32.83 C ATOM 805 CZ PHE A 86 33.253 -12.318 14.551 1.00 29.23 C ATOM 806 H PHE A 86 37.074 -10.984 20.224 1.00 0.00 H ATOM 807 N GLU A 87 36.532 -9.433 16.455 1.00 33.18 N ATOM 808 CA GLU A 87 36.105 -8.198 15.814 1.00 33.03 C ATOM 809 C GLU A 87 35.690 -8.534 14.379 1.00 34.28 C ATOM 810 O GLU A 87 36.289 -9.410 13.754 1.00 32.30 O ATOM 811 CB GLU A 87 37.223 -7.121 15.900 1.00 34.60 C ATOM 812 CG GLU A 87 38.408 -7.333 14.981 1.00 44.75 C ATOM 813 CD GLU A 87 38.491 -6.321 13.859 1.00 71.53 C ATOM 814 OE1 GLU A 87 37.639 -6.358 12.940 1.00 72.89 O ATOM 815 OE2 GLU A 87 39.425 -5.489 13.898 1.00 69.14 O ATOM 816 H GLU A 87 37.117 -10.083 15.892 1.00 0.00 H ATOM 817 N TYR A 88 34.634 -7.891 13.890 1.00 31.69 N ATOM 818 CA TYR A 88 34.079 -8.157 12.555 1.00 31.16 C ATOM 819 C TYR A 88 33.861 -6.858 11.733 1.00 35.98 C ATOM 820 O TYR A 88 32.953 -6.780 10.904 1.00 36.48 O ATOM 821 CB TYR A 88 32.806 -9.028 12.658 1.00 30.82 C ATOM 822 CG TYR A 88 31.672 -8.367 13.418 1.00 31.69 C ATOM 823 CD1 TYR A 88 30.596 -7.794 12.743 1.00 33.60 C ATOM 824 CD2 TYR A 88 31.681 -8.299 14.809 1.00 32.49 C ATOM 825 CE1 TYR A 88 29.562 -7.156 13.436 1.00 32.97 C ATOM 826 CE2 TYR A 88 30.651 -7.671 15.512 1.00 32.78 C ATOM 827 CZ TYR A 88 29.606 -7.081 14.820 1.00 35.38 C ATOM 828 OH TYR A 88 28.594 -6.474 15.519 1.00 30.05 O ATOM 829 HH TYR A 88 28.968 -5.742 16.070 1.00 0.00 H ATOM 830 H TYR A 88 34.179 -7.165 14.480 1.00 0.00 H ATOM 831 N GLU A 89 34.726 -5.858 11.951 1.00 33.46 N ATOM 832 CA GLU A 89 34.691 -4.577 11.221 1.00 33.37 C ATOM 833 C GLU A 89 35.008 -4.798 9.710 1.00 35.87 C ATOM 834 O GLU A 89 34.230 -4.394 8.843 1.00 35.41 O ATOM 835 CB GLU A 89 35.714 -3.581 11.832 1.00 34.74 C ATOM 836 CG GLU A 89 35.197 -2.799 13.037 1.00 46.65 C ATOM 837 CD GLU A 89 33.974 -1.920 12.817 1.00 40.22 C ATOM 838 OE1 GLU A 89 33.784 -1.413 11.689 1.00 37.05 O ATOM 839 OE2 GLU A 89 33.170 -1.789 13.765 1.00 39.30 O ATOM 840 H GLU A 89 35.462 -5.992 12.674 1.00 0.00 H ATOM 841 N ALA A 90 36.124 -5.480 9.414 1.00 31.74 N ATOM 842 CA ALA A 90 36.553 -5.764 8.044 1.00 31.61 C ATOM 843 C ALA A 90 35.440 -6.429 7.234 1.00 36.08 C ATOM 844 O ALA A 90 35.274 -6.103 6.059 1.00 35.51 O ATOM 845 CB ALA A 90 37.816 -6.627 8.047 1.00 32.37 C ATOM 846 H ALA A 90 36.715 -5.825 10.198 1.00 0.00 H ATOM 847 N MET A 91 34.666 -7.329 7.898 1.00 33.84 N ATOM 848 CA MET A 91 33.540 -8.076 7.335 1.00 33.76 C ATOM 849 C MET A 91 32.400 -7.132 6.944 1.00 36.91 C ATOM 850 O MET A 91 31.824 -7.279 5.862 1.00 37.46 O ATOM 851 CB MET A 91 33.076 -9.140 8.351 1.00 36.20 C ATOM 852 CG MET A 91 31.840 -9.891 7.950 1.00 40.01 C ATOM 853 SD MET A 91 30.423 -9.345 8.920 1.00 44.46 S ATOM 854 CE MET A 91 29.133 -9.572 7.721 1.00 40.89 C ATOM 855 H MET A 91 34.895 -7.502 8.898 1.00 0.00 H ATOM 856 N LEU A 92 32.063 -6.184 7.831 1.00 31.31 N ATOM 857 CA LEU A 92 31.029 -5.189 7.612 1.00 29.89 C ATOM 858 C LEU A 92 31.484 -4.229 6.505 1.00 37.33 C ATOM 859 O LEU A 92 30.636 -3.711 5.762 1.00 38.74 O ATOM 860 CB LEU A 92 30.776 -4.396 8.894 1.00 29.50 C ATOM 861 CG LEU A 92 30.049 -5.066 10.079 1.00 32.39 C ATOM 862 CD1 LEU A 92 29.640 -3.996 11.082 1.00 33.45 C ATOM 863 CD2 LEU A 92 28.793 -5.809 9.641 1.00 25.70 C ATOM 864 H LEU A 92 32.576 -6.160 8.735 1.00 0.00 H ATOM 865 N ARG A 93 32.821 -4.001 6.394 1.00 32.02 N ATOM 866 CA ARG A 93 33.367 -3.132 5.347 1.00 31.67 C ATOM 867 C ARG A 93 33.268 -3.826 3.988 1.00 34.89 C ATOM 868 O ARG A 93 32.688 -3.244 3.071 1.00 33.20 O ATOM 869 CB ARG A 93 34.809 -2.654 5.643 1.00 30.03 C ATOM 870 CG ARG A 93 35.282 -1.613 4.622 1.00 36.78 C ATOM 871 CD ARG A 93 36.720 -1.152 4.775 1.00 45.77 C ATOM 872 NE ARG A 93 37.222 -0.524 3.542 1.00 53.07 N ATOM 873 CZ ARG A 93 37.130 0.774 3.254 1.00 62.45 C ATOM 874 NH1 ARG A 93 36.551 1.611 4.105 1.00 44.79 N ATOM 875 NH2 ARG A 93 37.615 1.243 2.111 1.00 46.85 N ATOM 876 HE ARG A 93 37.683 -1.140 2.843 1.00 0.00 H ATOM 877 HH12 ARG A 93 36.483 2.623 3.874 1.00 0.00 H ATOM 878 HH11 ARG A 93 36.166 1.255 5.003 1.00 0.00 H ATOM 879 HH22 ARG A 93 37.540 2.257 1.892 1.00 0.00 H ATOM 880 HH21 ARG A 93 38.070 0.597 1.435 1.00 0.00 H ATOM 881 H ARG A 93 33.471 -4.454 7.068 1.00 0.00 H ATOM 882 N ARG A 94 33.792 -5.100 3.865 1.00 31.38 N ATOM 883 CA ARG A 94 33.751 -5.873 2.611 1.00 31.18 C ATOM 884 C ARG A 94 32.317 -6.031 2.078 1.00 36.73 C ATOM 885 O ARG A 94 32.108 -5.932 0.870 1.00 36.54 O ATOM 886 CB ARG A 94 34.456 -7.242 2.737 1.00 28.32 C ATOM 887 CG ARG A 94 35.981 -7.178 2.911 1.00 33.33 C ATOM 888 CD ARG A 94 36.608 -8.530 3.193 1.00 39.53 C ATOM 889 NE ARG A 94 36.138 -9.090 4.468 1.00 45.50 N ATOM 890 CZ ARG A 94 36.929 -9.538 5.435 1.00 57.77 C ATOM 891 NH1 ARG A 94 38.248 -9.513 5.290 1.00 34.83 N ATOM 892 NH2 ARG A 94 36.408 -10.016 6.557 1.00 53.47 N ATOM 893 HE ARG A 94 35.111 -9.139 4.624 1.00 0.00 H ATOM 894 HH12 ARG A 94 38.862 -9.866 6.052 1.00 0.00 H ATOM 895 HH11 ARG A 94 38.668 -9.141 4.414 1.00 0.00 H ATOM 896 HH22 ARG A 94 37.032 -10.366 7.312 1.00 0.00 H ATOM 897 HH21 ARG A 94 35.376 -10.041 6.682 1.00 0.00 H ATOM 898 H ARG A 94 34.237 -5.534 4.699 1.00 0.00 H ATOM 899 N SER A 95 31.338 -6.198 2.994 1.00 33.85 N ATOM 900 CA SER A 95 29.917 -6.356 2.703 1.00 33.87 C ATOM 901 C SER A 95 29.265 -5.072 2.208 1.00 41.58 C ATOM 902 O SER A 95 28.623 -5.108 1.165 1.00 42.05 O ATOM 903 CB SER A 95 29.166 -6.906 3.919 1.00 35.03 C ATOM 904 OG SER A 95 29.644 -8.182 4.316 1.00 30.15 O ATOM 905 HG SER A 95 30.603 -8.115 4.552 1.00 0.00 H ATOM 906 H SER A 95 31.622 -6.215 3.994 1.00 0.00 H ATOM 907 N ALA A 96 29.395 -3.953 2.959 1.00 40.44 N ATOM 908 CA ALA A 96 28.807 -2.642 2.608 1.00 40.65 C ATOM 909 C ALA A 96 29.345 -2.120 1.277 1.00 45.27 C ATOM 910 O ALA A 96 28.593 -1.504 0.518 1.00 44.58 O ATOM 911 CB ALA A 96 29.072 -1.626 3.705 1.00 41.11 C ATOM 912 H ALA A 96 29.944 -4.020 3.840 1.00 0.00 H ATOM 913 N LEU A 97 30.633 -2.416 0.980 1.00 42.71 N ATOM 914 CA LEU A 97 31.296 -2.012 -0.256 1.00 42.48 C ATOM 915 C LEU A 97 30.836 -2.841 -1.441 1.00 46.26 C ATOM 916 O LEU A 97 30.734 -2.324 -2.560 1.00 44.88 O ATOM 917 CB LEU A 97 32.828 -2.101 -0.116 1.00 42.57 C ATOM 918 CG LEU A 97 33.548 -0.875 0.467 1.00 47.71 C ATOM 919 CD1 LEU A 97 34.987 -1.227 0.863 1.00 48.28 C ATOM 920 CD2 LEU A 97 33.577 0.283 -0.525 1.00 50.65 C ATOM 921 H LEU A 97 31.182 -2.963 1.673 1.00 0.00 H ATOM 922 N ALA A 98 30.579 -4.132 -1.205 1.00 43.52 N ATOM 923 CA ALA A 98 30.178 -5.040 -2.271 1.00 42.70 C ATOM 924 C ALA A 98 28.680 -5.089 -2.529 1.00 44.53 C ATOM 925 O ALA A 98 28.286 -5.457 -3.632 1.00 44.36 O ATOM 926 CB ALA A 98 30.710 -6.433 -1.997 1.00 43.16 C ATOM 927 H ALA A 98 30.668 -4.497 -0.235 1.00 0.00 H ATOM 928 N LEU A 99 27.845 -4.716 -1.543 1.00 39.95 N ATOM 929 CA LEU A 99 26.397 -4.845 -1.703 1.00 38.83 C ATOM 930 C LEU A 99 25.563 -3.571 -1.640 1.00 40.94 C ATOM 931 O LEU A 99 24.471 -3.565 -2.212 1.00 38.60 O ATOM 932 CB LEU A 99 25.836 -5.849 -0.673 1.00 38.88 C ATOM 933 CG LEU A 99 26.314 -7.293 -0.748 1.00 42.99 C ATOM 934 CD1 LEU A 99 25.452 -8.165 0.120 1.00 42.75 C ATOM 935 CD2 LEU A 99 26.295 -7.842 -2.189 1.00 44.70 C ATOM 936 H LEU A 99 28.233 -4.332 -0.658 1.00 0.00 H ATOM 937 N SER A 100 26.001 -2.527 -0.912 1.00 39.14 N ATOM 938 CA SER A 100 25.173 -1.321 -0.813 1.00 38.81 C ATOM 939 C SER A 100 25.619 -0.189 -1.765 1.00 45.06 C ATOM 940 O SER A 100 26.827 0.027 -1.934 1.00 44.09 O ATOM 941 CB SER A 100 25.056 -0.833 0.627 1.00 41.71 C ATOM 942 OG SER A 100 26.165 -0.044 1.021 1.00 51.33 O ATOM 943 HG SER A 100 26.994 -0.580 0.946 1.00 0.00 H ATOM 944 H SER A 100 26.918 -2.575 -0.424 1.00 0.00 H ATOM 945 N PRO A 101 24.650 0.553 -2.369 1.00 43.95 N ATOM 946 CA PRO A 101 25.018 1.643 -3.295 1.00 44.29 C ATOM 947 C PRO A 101 25.664 2.847 -2.619 1.00 49.89 C ATOM 948 O PRO A 101 26.673 3.330 -3.123 1.00 50.85 O ATOM 949 CB PRO A 101 23.687 2.005 -3.962 1.00 46.34 C ATOM 950 CG PRO A 101 22.735 0.883 -3.609 1.00 50.16 C ATOM 951 CD PRO A 101 23.181 0.416 -2.277 1.00 45.37 C ATOM 952 N ASP A 102 25.122 3.285 -1.453 1.00 47.32 N ATOM 953 CA ASP A 102 25.587 4.416 -0.630 1.00 47.19 C ATOM 954 C ASP A 102 26.810 4.115 0.261 1.00 49.46 C ATOM 955 O ASP A 102 27.210 4.975 1.051 1.00 49.23 O ATOM 956 CB ASP A 102 24.428 4.981 0.228 1.00 49.71 C ATOM 957 CG ASP A 102 23.710 4.009 1.168 1.00 64.95 C ATOM 958 OD1 ASP A 102 22.578 4.330 1.604 1.00 65.89 O ATOM 959 OD2 ASP A 102 24.285 2.938 1.484 1.00 72.60 O ATOM 960 H ASP A 102 24.290 2.767 -1.104 1.00 0.00 H ATOM 961 N ARG A 103 27.382 2.893 0.149 1.00 44.80 N ATOM 962 CA ARG A 103 28.526 2.390 0.928 1.00 43.61 C ATOM 963 C ARG A 103 28.231 2.317 2.465 1.00 43.28 C ATOM 964 O ARG A 103 29.162 2.231 3.273 1.00 41.69 O ATOM 965 CB ARG A 103 29.824 3.175 0.618 1.00 46.08 C ATOM 966 CG ARG A 103 30.346 3.013 -0.815 1.00 55.51 C ATOM 967 CD ARG A 103 31.287 4.150 -1.200 1.00 61.65 C ATOM 968 NE ARG A 103 32.528 4.149 -0.418 1.00 61.74 N ATOM 969 CZ ARG A 103 33.725 3.815 -0.894 1.00 77.26 C ATOM 970 NH1 ARG A 103 33.864 3.445 -2.161 1.00 71.60 N ATOM 971 NH2 ARG A 103 34.789 3.831 -0.101 1.00 59.19 N ATOM 972 HE ARG A 103 32.468 4.430 0.582 1.00 0.00 H ATOM 973 HH12 ARG A 103 34.802 3.185 -2.527 1.00 0.00 H ATOM 974 HH11 ARG A 103 33.035 3.415 -2.788 1.00 0.00 H ATOM 975 HH22 ARG A 103 35.722 3.569 -0.478 1.00 0.00 H ATOM 976 HH21 ARG A 103 34.690 4.105 0.897 1.00 0.00 H ATOM 977 H ARG A 103 26.974 2.247 -0.556 1.00 0.00 H ATOM 978 N CYS A 104 26.932 2.311 2.839 1.00 38.66 N ATOM 979 CA CYS A 104 26.430 2.240 4.212 1.00 39.14 C ATOM 980 C CYS A 104 25.551 1.001 4.434 1.00 42.54 C ATOM 981 O CYS A 104 24.776 0.613 3.556 1.00 42.13 O ATOM 982 CB CYS A 104 25.654 3.505 4.574 1.00 40.27 C ATOM 983 SG CYS A 104 26.564 5.052 4.322 1.00 44.24 S ATOM 984 H CYS A 104 26.223 2.362 2.080 1.00 0.00 H ATOM 985 N LEU A 105 25.622 0.437 5.646 1.00 36.79 N ATOM 986 CA LEU A 105 24.746 -0.643 6.097 1.00 34.38 C ATOM 987 C LEU A 105 24.212 -0.332 7.487 1.00 37.59 C ATOM 988 O LEU A 105 24.741 0.545 8.185 1.00 36.62 O ATOM 989 CB LEU A 105 25.375 -2.063 6.024 1.00 33.17 C ATOM 990 CG LEU A 105 26.776 -2.368 6.581 1.00 36.59 C ATOM 991 CD1 LEU A 105 26.837 -2.273 8.115 1.00 35.98 C ATOM 992 CD2 LEU A 105 27.178 -3.781 6.193 1.00 40.41 C ATOM 993 H LEU A 105 26.344 0.788 6.307 1.00 0.00 H ATOM 994 N SER A 106 23.147 -1.029 7.882 1.00 33.50 N ATOM 995 CA SER A 106 22.638 -0.925 9.232 1.00 32.53 C ATOM 996 C SER A 106 23.092 -2.199 9.942 1.00 36.76 C ATOM 997 O SER A 106 23.095 -3.270 9.344 1.00 35.65 O ATOM 998 CB SER A 106 21.127 -0.742 9.241 1.00 35.36 C ATOM 999 OG SER A 106 20.821 0.610 8.927 1.00 45.24 O ATOM 1000 HG SER A 106 21.178 0.828 8.030 1.00 0.00 H ATOM 1001 H SER A 106 22.672 -1.661 7.206 1.00 0.00 H ATOM 1002 N LEU A 107 23.616 -2.060 11.151 1.00 35.07 N ATOM 1003 CA LEU A 107 24.102 -3.173 11.949 1.00 35.30 C ATOM 1004 C LEU A 107 23.125 -3.325 13.111 1.00 36.66 C ATOM 1005 O LEU A 107 22.968 -2.393 13.906 1.00 36.67 O ATOM 1006 CB LEU A 107 25.552 -2.881 12.433 1.00 36.07 C ATOM 1007 CG LEU A 107 26.415 -4.022 13.056 1.00 41.20 C ATOM 1008 CD1 LEU A 107 26.274 -4.102 14.552 1.00 41.84 C ATOM 1009 CD2 LEU A 107 26.239 -5.384 12.358 1.00 43.21 C ATOM 1010 H LEU A 107 23.683 -1.102 11.551 1.00 0.00 H ATOM 1011 N GLU A 108 22.387 -4.451 13.148 1.00 30.22 N ATOM 1012 CA GLU A 108 21.416 -4.705 14.207 1.00 28.36 C ATOM 1013 C GLU A 108 21.841 -5.908 15.053 1.00 31.42 C ATOM 1014 O GLU A 108 22.190 -6.948 14.508 1.00 28.53 O ATOM 1015 CB GLU A 108 19.988 -4.804 13.671 1.00 29.55 C ATOM 1016 CG GLU A 108 18.939 -4.771 14.779 1.00 37.60 C ATOM 1017 CD GLU A 108 17.492 -4.635 14.346 1.00 52.19 C ATOM 1018 OE1 GLU A 108 17.235 -4.168 13.214 1.00 57.62 O ATOM 1019 OE2 GLU A 108 16.607 -4.998 15.151 1.00 51.82 O ATOM 1020 H GLU A 108 22.513 -5.161 12.399 1.00 0.00 H ATOM 1021 N GLN A 109 21.912 -5.722 16.385 1.00 29.14 N ATOM 1022 CA GLN A 109 22.397 -6.754 17.300 1.00 28.65 C ATOM 1023 C GLN A 109 21.686 -6.703 18.647 1.00 32.39 C ATOM 1024 O GLN A 109 21.265 -5.634 19.082 1.00 31.99 O ATOM 1025 CB GLN A 109 23.925 -6.637 17.492 1.00 29.30 C ATOM 1026 CG GLN A 109 24.342 -5.628 18.568 1.00 30.30 C ATOM 1027 CD GLN A 109 25.786 -5.262 18.486 1.00 38.65 C ATOM 1028 OE1 GLN A 109 26.683 -5.994 18.934 1.00 31.91 O ATOM 1029 NE2 GLN A 109 26.035 -4.109 17.903 1.00 25.58 N ATOM 1030 HE22 GLN A 109 25.251 -3.529 17.542 1.00 0.00 H ATOM 1031 HE21 GLN A 109 27.016 -3.778 17.803 1.00 0.00 H ATOM 1032 H GLN A 109 21.610 -4.808 16.778 1.00 0.00 H ATOM 1033 N SER A 110 21.604 -7.867 19.314 1.00 28.92 N ATOM 1034 CA SER A 110 20.950 -8.058 20.604 1.00 27.79 C ATOM 1035 C SER A 110 21.709 -7.390 21.760 1.00 28.93 C ATOM 1036 O SER A 110 22.947 -7.402 21.788 1.00 24.64 O ATOM 1037 CB SER A 110 20.801 -9.547 20.895 1.00 28.94 C ATOM 1038 OG SER A 110 20.737 -9.791 22.286 1.00 31.84 O ATOM 1039 HG SER A 110 20.641 -10.763 22.445 1.00 0.00 H ATOM 1040 H SER A 110 22.043 -8.701 18.874 1.00 0.00 H ATOM 1041 N THR A 111 20.931 -6.884 22.754 1.00 28.45 N ATOM 1042 CA THR A 111 21.443 -6.260 23.995 1.00 29.12 C ATOM 1043 C THR A 111 21.186 -7.226 25.192 1.00 33.61 C ATOM 1044 O THR A 111 21.531 -6.920 26.350 1.00 32.50 O ATOM 1045 CB THR A 111 20.692 -4.926 24.255 1.00 34.71 C ATOM 1046 OG1 THR A 111 19.331 -5.211 24.573 1.00 34.64 O ATOM 1047 CG2 THR A 111 20.753 -3.966 23.084 1.00 33.39 C ATOM 1048 HG1 THR A 111 18.848 -4.363 24.740 1.00 0.00 H ATOM 1049 H THR A 111 19.900 -6.940 22.633 1.00 0.00 H ATOM 1050 N GLN A 112 20.533 -8.376 24.895 1.00 29.54 N ATOM 1051 CA GLN A 112 20.046 -9.327 25.894 1.00 27.84 C ATOM 1052 C GLN A 112 20.561 -10.745 25.738 1.00 33.78 C ATOM 1053 O GLN A 112 20.791 -11.208 24.621 1.00 33.42 O ATOM 1054 CB GLN A 112 18.499 -9.328 25.890 1.00 27.86 C ATOM 1055 CG GLN A 112 17.898 -7.949 26.195 1.00 34.91 C ATOM 1056 CD GLN A 112 16.411 -7.932 26.371 1.00 48.60 C ATOM 1057 OE1 GLN A 112 15.655 -8.567 25.636 1.00 49.42 O ATOM 1058 NE2 GLN A 112 15.948 -7.082 27.261 1.00 38.85 N ATOM 1059 HE22 GLN A 112 16.607 -6.557 27.871 1.00 0.00 H ATOM 1060 HE21 GLN A 112 14.923 -6.935 27.355 1.00 0.00 H ATOM 1061 H GLN A 112 20.368 -8.596 23.892 1.00 0.00 H ATOM 1062 N THR A 113 20.742 -11.433 26.861 1.00 31.28 N ATOM 1063 CA THR A 113 21.150 -12.837 26.888 1.00 32.14 C ATOM 1064 C THR A 113 19.900 -13.721 26.912 1.00 37.65 C ATOM 1065 O THR A 113 18.846 -13.319 27.419 1.00 37.45 O ATOM 1066 CB THR A 113 22.163 -13.124 28.013 1.00 41.93 C ATOM 1067 OG1 THR A 113 22.623 -14.473 27.942 1.00 33.81 O ATOM 1068 CG2 THR A 113 21.624 -12.817 29.415 1.00 44.25 C ATOM 1069 HG1 THR A 113 21.853 -15.088 28.038 1.00 0.00 H ATOM 1070 H THR A 113 20.585 -10.948 27.767 1.00 0.00 H ATOM 1071 N VAL A 114 20.001 -14.883 26.269 1.00 34.71 N ATOM 1072 CA VAL A 114 18.979 -15.924 26.284 1.00 33.20 C ATOM 1073 C VAL A 114 19.653 -17.170 26.854 1.00 32.50 C ATOM 1074 O VAL A 114 19.003 -18.127 27.252 1.00 29.89 O ATOM 1075 CB VAL A 114 18.278 -16.187 24.919 1.00 37.14 C ATOM 1076 CG1 VAL A 114 17.281 -15.090 24.584 1.00 36.83 C ATOM 1077 CG2 VAL A 114 19.269 -16.422 23.780 1.00 36.89 C ATOM 1078 H VAL A 114 20.866 -15.060 25.720 1.00 0.00 H ATOM 1079 N GLN A 115 20.980 -17.134 26.902 1.00 30.48 N ATOM 1080 CA GLN A 115 21.777 -18.248 27.368 1.00 30.09 C ATOM 1081 C GLN A 115 22.339 -18.035 28.776 1.00 36.68 C ATOM 1082 O GLN A 115 22.695 -16.912 29.142 1.00 38.63 O ATOM 1083 CB GLN A 115 22.889 -18.512 26.359 1.00 30.89 C ATOM 1084 CG GLN A 115 23.508 -19.895 26.477 1.00 25.28 C ATOM 1085 CD GLN A 115 24.694 -20.061 25.585 1.00 41.00 C ATOM 1086 OE1 GLN A 115 25.655 -20.781 25.899 1.00 34.67 O ATOM 1087 NE2 GLN A 115 24.644 -19.423 24.437 1.00 27.16 N ATOM 1088 HE22 GLN A 115 23.822 -18.828 24.208 1.00 0.00 H ATOM 1089 HE21 GLN A 115 25.426 -19.513 23.758 1.00 0.00 H ATOM 1090 H GLN A 115 21.466 -16.269 26.592 1.00 0.00 H ATOM 1091 N GLY A 116 22.408 -19.128 29.538 1.00 32.37 N ATOM 1092 CA GLY A 116 22.989 -19.176 30.870 1.00 30.93 C ATOM 1093 C GLY A 116 24.506 -19.086 30.799 1.00 35.42 C ATOM 1094 O GLY A 116 25.120 -19.541 29.819 1.00 36.32 O ATOM 1095 H GLY A 116 22.017 -20.011 29.151 1.00 0.00 H ATOM 1096 N PRO A 117 25.144 -18.484 31.824 1.00 30.91 N ATOM 1097 CA PRO A 117 26.611 -18.296 31.788 1.00 31.23 C ATOM 1098 C PRO A 117 27.448 -19.560 31.682 1.00 36.60 C ATOM 1099 O PRO A 117 28.583 -19.512 31.223 1.00 37.34 O ATOM 1100 CB PRO A 117 26.905 -17.565 33.115 1.00 32.51 C ATOM 1101 CG PRO A 117 25.733 -17.883 33.991 1.00 35.95 C ATOM 1102 CD PRO A 117 24.566 -17.901 33.052 1.00 31.82 C ATOM 1103 N ASP A 118 26.897 -20.686 32.103 1.00 34.99 N ATOM 1104 CA ASP A 118 27.660 -21.930 32.081 1.00 34.02 C ATOM 1105 C ASP A 118 27.304 -22.847 30.907 1.00 36.23 C ATOM 1106 O ASP A 118 27.998 -23.842 30.667 1.00 34.83 O ATOM 1107 CB ASP A 118 27.508 -22.628 33.441 1.00 34.76 C ATOM 1108 CG ASP A 118 28.035 -21.780 34.583 1.00 39.21 C ATOM 1109 OD1 ASP A 118 29.246 -21.422 34.549 1.00 39.96 O ATOM 1110 OD2 ASP A 118 27.222 -21.420 35.486 1.00 41.61 O ATOM 1111 H ASP A 118 25.917 -20.685 32.451 1.00 0.00 H ATOM 1112 N SER A 119 26.242 -22.486 30.167 1.00 34.11 N ATOM 1113 CA SER A 119 25.701 -23.248 29.051 1.00 34.41 C ATOM 1114 C SER A 119 26.638 -23.360 27.844 1.00 39.37 C ATOM 1115 O SER A 119 27.456 -22.468 27.581 1.00 38.60 O ATOM 1116 CB SER A 119 24.339 -22.708 28.644 1.00 37.46 C ATOM 1117 OG SER A 119 23.812 -23.443 27.556 1.00 42.42 O ATOM 1118 HG SER A 119 22.927 -23.075 27.308 1.00 0.00 H ATOM 1119 H SER A 119 25.770 -21.592 30.411 1.00 0.00 H ATOM 1120 N ALA A 120 26.519 -24.504 27.135 1.00 36.43 N ATOM 1121 CA ALA A 120 27.295 -24.832 25.935 1.00 35.88 C ATOM 1122 C ALA A 120 26.407 -24.939 24.690 1.00 37.40 C ATOM 1123 O ALA A 120 26.866 -25.438 23.656 1.00 35.64 O ATOM 1124 CB ALA A 120 28.112 -26.106 26.151 1.00 36.64 C ATOM 1125 H ALA A 120 25.825 -25.205 27.465 1.00 0.00 H ATOM 1126 N ALA A 121 25.132 -24.436 24.793 1.00 32.83 N ATOM 1127 CA ALA A 121 24.137 -24.403 23.724 1.00 31.67 C ATOM 1128 C ALA A 121 24.226 -23.169 22.777 1.00 32.45 C ATOM 1129 O ALA A 121 23.241 -22.898 22.106 1.00 28.84 O ATOM 1130 CB ALA A 121 22.727 -24.509 24.311 1.00 32.21 C ATOM 1131 H ALA A 121 24.851 -24.044 25.714 1.00 0.00 H ATOM 1132 N CYS A 122 25.386 -22.452 22.692 1.00 31.46 N ATOM 1133 CA CYS A 122 25.485 -21.266 21.804 1.00 33.00 C ATOM 1134 C CYS A 122 25.218 -21.600 20.335 1.00 36.87 C ATOM 1135 O CYS A 122 24.433 -20.901 19.709 1.00 37.18 O ATOM 1136 CB CYS A 122 26.789 -20.495 21.981 1.00 33.66 C ATOM 1137 SG CYS A 122 28.271 -21.520 22.029 1.00 38.35 S ATOM 1138 H CYS A 122 26.210 -22.741 23.257 1.00 0.00 H ATOM 1139 N GLY A 123 25.831 -22.676 19.827 1.00 32.72 N ATOM 1140 CA GLY A 123 25.587 -23.157 18.468 1.00 32.26 C ATOM 1141 C GLY A 123 24.109 -23.387 18.187 1.00 33.21 C ATOM 1142 O GLY A 123 23.599 -22.937 17.169 1.00 32.66 O ATOM 1143 H GLY A 123 26.509 -23.191 20.424 1.00 0.00 H ATOM 1144 N LEU A 124 23.396 -24.028 19.115 1.00 29.92 N ATOM 1145 CA LEU A 124 21.972 -24.355 18.992 1.00 29.87 C ATOM 1146 C LEU A 124 21.016 -23.149 18.982 1.00 32.37 C ATOM 1147 O LEU A 124 20.074 -23.151 18.195 1.00 33.33 O ATOM 1148 CB LEU A 124 21.550 -25.346 20.083 1.00 30.41 C ATOM 1149 CG LEU A 124 22.063 -26.763 19.973 1.00 35.53 C ATOM 1150 CD1 LEU A 124 21.610 -27.569 21.175 1.00 35.30 C ATOM 1151 CD2 LEU A 124 21.523 -27.435 18.710 1.00 39.48 C ATOM 1152 H LEU A 124 23.885 -24.316 19.987 1.00 0.00 H ATOM 1153 N PHE A 125 21.213 -22.152 19.883 1.00 27.99 N ATOM 1154 CA PHE A 125 20.426 -20.887 19.906 1.00 25.83 C ATOM 1155 C PHE A 125 20.640 -20.136 18.588 1.00 27.80 C ATOM 1156 O PHE A 125 19.727 -19.477 18.105 1.00 26.83 O ATOM 1157 CB PHE A 125 20.831 -19.968 21.083 1.00 26.06 C ATOM 1158 CG PHE A 125 20.211 -20.272 22.426 1.00 26.46 C ATOM 1159 CD1 PHE A 125 21.004 -20.636 23.508 1.00 28.63 C ATOM 1160 CD2 PHE A 125 18.833 -20.183 22.615 1.00 27.03 C ATOM 1161 CE1 PHE A 125 20.433 -20.877 24.763 1.00 28.21 C ATOM 1162 CE2 PHE A 125 18.260 -20.472 23.857 1.00 29.37 C ATOM 1163 CZ PHE A 125 19.064 -20.804 24.924 1.00 26.82 C ATOM 1164 H PHE A 125 21.957 -22.279 20.599 1.00 0.00 H ATOM 1165 N CYS A 126 21.857 -20.232 18.025 1.00 25.88 N ATOM 1166 CA CYS A 126 22.204 -19.621 16.732 1.00 25.51 C ATOM 1167 C CYS A 126 21.323 -20.241 15.623 1.00 29.98 C ATOM 1168 O CYS A 126 20.675 -19.490 14.891 1.00 30.11 O ATOM 1169 CB CYS A 126 23.693 -19.753 16.428 1.00 24.76 C ATOM 1170 SG CYS A 126 24.748 -18.551 17.300 1.00 27.44 S ATOM 1171 H CYS A 126 22.592 -20.767 18.530 1.00 0.00 H ATOM 1172 N CYS A 127 21.171 -21.600 15.602 1.00 27.69 N ATOM 1173 CA CYS A 127 20.266 -22.300 14.654 1.00 25.98 C ATOM 1174 C CYS A 127 18.854 -21.761 14.756 1.00 28.09 C ATOM 1175 O CYS A 127 18.195 -21.573 13.728 1.00 27.86 O ATOM 1176 CB CYS A 127 20.274 -23.813 14.877 1.00 25.74 C ATOM 1177 SG CYS A 127 21.881 -24.594 14.635 1.00 29.15 S ATOM 1178 H CYS A 127 21.714 -22.170 16.281 1.00 0.00 H ATOM 1179 N MET A 128 18.383 -21.528 15.997 1.00 24.98 N ATOM 1180 CA MET A 128 17.032 -21.035 16.288 1.00 24.57 C ATOM 1181 C MET A 128 16.803 -19.604 15.777 1.00 29.63 C ATOM 1182 O MET A 128 15.721 -19.315 15.234 1.00 29.50 O ATOM 1183 CB MET A 128 16.743 -21.153 17.800 1.00 27.01 C ATOM 1184 CG MET A 128 15.294 -21.003 18.143 1.00 31.03 C ATOM 1185 SD MET A 128 14.900 -21.319 19.878 1.00 36.38 S ATOM 1186 CE MET A 128 13.118 -20.929 19.853 1.00 32.41 C ATOM 1187 H MET A 128 19.018 -21.709 16.800 1.00 0.00 H ATOM 1188 N PHE A 129 17.783 -18.690 16.024 1.00 26.61 N ATOM 1189 CA PHE A 129 17.700 -17.312 15.529 1.00 26.56 C ATOM 1190 C PHE A 129 17.660 -17.389 13.983 1.00 32.04 C ATOM 1191 O PHE A 129 16.860 -16.677 13.387 1.00 32.36 O ATOM 1192 CB PHE A 129 18.908 -16.437 15.986 1.00 27.66 C ATOM 1193 CG PHE A 129 19.010 -15.119 15.238 1.00 29.03 C ATOM 1194 CD1 PHE A 129 18.261 -14.013 15.634 1.00 31.41 C ATOM 1195 CD2 PHE A 129 19.788 -15.010 14.083 1.00 30.41 C ATOM 1196 CE1 PHE A 129 18.321 -12.814 14.914 1.00 32.08 C ATOM 1197 CE2 PHE A 129 19.839 -13.813 13.362 1.00 32.52 C ATOM 1198 CZ PHE A 129 19.098 -12.729 13.774 1.00 30.79 C ATOM 1199 H PHE A 129 18.614 -18.978 16.580 1.00 0.00 H ATOM 1200 N LEU A 130 18.523 -18.234 13.338 1.00 28.03 N ATOM 1201 CA LEU A 130 18.486 -18.326 11.867 1.00 28.01 C ATOM 1202 C LEU A 130 17.136 -18.843 11.339 1.00 34.77 C ATOM 1203 O LEU A 130 16.727 -18.386 10.265 1.00 37.04 O ATOM 1204 CB LEU A 130 19.669 -19.089 11.265 1.00 27.08 C ATOM 1205 CG LEU A 130 21.033 -18.381 11.362 1.00 32.33 C ATOM 1206 CD1 LEU A 130 22.096 -19.144 10.606 1.00 32.18 C ATOM 1207 CD2 LEU A 130 20.962 -16.913 10.843 1.00 36.40 C ATOM 1208 H LEU A 130 19.200 -18.807 13.882 1.00 0.00 H ATOM 1209 N HIS A 131 16.382 -19.672 12.127 1.00 31.15 N ATOM 1210 CA HIS A 131 15.027 -20.087 11.726 1.00 31.11 C ATOM 1211 C HIS A 131 14.114 -18.856 11.750 1.00 35.44 C ATOM 1212 O HIS A 131 13.328 -18.669 10.830 1.00 34.87 O ATOM 1213 CB HIS A 131 14.442 -21.226 12.588 1.00 31.38 C ATOM 1214 CG HIS A 131 13.017 -21.565 12.215 1.00 34.81 C ATOM 1215 ND1 HIS A 131 11.946 -20.805 12.670 1.00 36.64 N ATOM 1216 CD2 HIS A 131 12.538 -22.543 11.410 1.00 36.27 C ATOM 1217 CE1 HIS A 131 10.863 -21.341 12.129 1.00 35.74 C ATOM 1218 NE2 HIS A 131 11.167 -22.384 11.358 1.00 36.17 N ATOM 1219 H HIS A 131 16.774 -20.015 13.027 1.00 0.00 H ATOM 1220 N ALA A 132 14.238 -18.005 12.782 1.00 32.98 N ATOM 1221 CA ALA A 132 13.463 -16.765 12.900 1.00 33.45 C ATOM 1222 C ALA A 132 13.885 -15.780 11.789 1.00 36.59 C ATOM 1223 O ALA A 132 13.031 -15.131 11.185 1.00 34.63 O ATOM 1224 CB ALA A 132 13.679 -16.140 14.269 1.00 34.67 C ATOM 1225 H ALA A 132 14.917 -18.237 13.535 1.00 0.00 H ATOM 1226 N PHE A 133 15.192 -15.722 11.481 1.00 34.07 N ATOM 1227 CA PHE A 133 15.696 -14.856 10.424 1.00 35.05 C ATOM 1228 C PHE A 133 15.138 -15.199 9.022 1.00 38.47 C ATOM 1229 O PHE A 133 14.616 -14.302 8.362 1.00 38.17 O ATOM 1230 CB PHE A 133 17.236 -14.764 10.403 1.00 36.88 C ATOM 1231 CG PHE A 133 17.731 -13.956 9.223 1.00 38.89 C ATOM 1232 CD1 PHE A 133 17.605 -12.574 9.205 1.00 42.59 C ATOM 1233 CD2 PHE A 133 18.276 -14.584 8.107 1.00 40.99 C ATOM 1234 CE1 PHE A 133 18.012 -11.833 8.089 1.00 43.55 C ATOM 1235 CE2 PHE A 133 18.672 -13.848 6.991 1.00 44.13 C ATOM 1236 CZ PHE A 133 18.558 -12.475 6.998 1.00 42.85 C ATOM 1237 H PHE A 133 15.863 -16.313 12.013 1.00 0.00 H ATOM 1238 N VAL A 134 15.223 -16.469 8.587 1.00 35.15 N ATOM 1239 CA VAL A 134 14.791 -16.869 7.240 1.00 34.46 C ATOM 1240 C VAL A 134 13.261 -16.775 7.043 1.00 41.15 C ATOM 1241 O VAL A 134 12.810 -16.672 5.904 1.00 41.88 O ATOM 1242 CB VAL A 134 15.353 -18.235 6.752 1.00 37.17 C ATOM 1243 CG1 VAL A 134 16.882 -18.282 6.839 1.00 35.86 C ATOM 1244 CG2 VAL A 134 14.729 -19.413 7.490 1.00 36.76 C ATOM 1245 H VAL A 134 15.608 -17.193 9.226 1.00 0.00 H ATOM 1246 N HIS A 135 12.467 -16.805 8.115 1.00 38.08 N ATOM 1247 CA HIS A 135 11.023 -16.693 7.933 1.00 37.64 C ATOM 1248 C HIS A 135 10.522 -15.256 8.114 1.00 40.36 C ATOM 1249 O HIS A 135 9.505 -14.884 7.537 1.00 38.20 O ATOM 1250 CB HIS A 135 10.277 -17.691 8.820 1.00 38.69 C ATOM 1251 CG HIS A 135 10.564 -19.120 8.473 1.00 42.37 C ATOM 1252 ND1 HIS A 135 11.668 -19.780 8.985 1.00 44.19 N ATOM 1253 CD2 HIS A 135 9.892 -19.966 7.658 1.00 44.32 C ATOM 1254 CE1 HIS A 135 11.643 -20.993 8.460 1.00 43.79 C ATOM 1255 NE2 HIS A 135 10.584 -21.156 7.665 1.00 44.21 N ATOM 1256 H HIS A 135 12.872 -16.907 9.068 1.00 0.00 H ATOM 1257 N TRP A 136 11.238 -14.446 8.918 1.00 38.23 N ATOM 1258 CA TRP A 136 10.850 -13.054 9.194 1.00 37.41 C ATOM 1259 C TRP A 136 12.088 -12.157 9.180 1.00 39.08 C ATOM 1260 O TRP A 136 12.506 -11.675 10.228 1.00 37.53 O ATOM 1261 CB TRP A 136 10.063 -12.975 10.519 1.00 36.25 C ATOM 1262 CG TRP A 136 8.930 -13.953 10.572 1.00 37.20 C ATOM 1263 CD1 TRP A 136 7.722 -13.848 9.935 1.00 39.95 C ATOM 1264 CD2 TRP A 136 8.958 -15.258 11.169 1.00 36.82 C ATOM 1265 NE1 TRP A 136 6.977 -14.984 10.149 1.00 39.07 N ATOM 1266 CE2 TRP A 136 7.706 -15.862 10.913 1.00 40.25 C ATOM 1267 CE3 TRP A 136 9.908 -15.959 11.939 1.00 37.76 C ATOM 1268 CZ2 TRP A 136 7.397 -17.152 11.356 1.00 39.46 C ATOM 1269 CZ3 TRP A 136 9.581 -17.216 12.422 1.00 39.09 C ATOM 1270 CH2 TRP A 136 8.335 -17.796 12.139 1.00 39.91 C ATOM 1271 HE1 TRP A 136 6.015 -15.151 9.790 1.00 0.00 H ATOM 1272 H TRP A 136 12.101 -14.820 9.362 1.00 0.00 H ATOM 1273 N PRO A 137 12.708 -11.936 7.993 1.00 37.50 N ATOM 1274 CA PRO A 137 13.964 -11.162 7.948 1.00 36.90 C ATOM 1275 C PRO A 137 13.835 -9.669 8.247 1.00 39.70 C ATOM 1276 O PRO A 137 14.844 -9.022 8.456 1.00 37.29 O ATOM 1277 CB PRO A 137 14.504 -11.438 6.543 1.00 38.04 C ATOM 1278 CG PRO A 137 13.354 -11.780 5.762 1.00 42.68 C ATOM 1279 CD PRO A 137 12.368 -12.463 6.652 1.00 38.74 C ATOM 1280 N ASP A 138 12.604 -9.149 8.325 1.00 38.00 N ATOM 1281 CA ASP A 138 12.329 -7.752 8.637 1.00 37.97 C ATOM 1282 C ASP A 138 12.266 -7.499 10.144 1.00 42.94 C ATOM 1283 O ASP A 138 12.792 -6.490 10.595 1.00 42.13 O ATOM 1284 CB ASP A 138 11.069 -7.276 7.889 1.00 39.81 C ATOM 1285 CG ASP A 138 11.178 -7.515 6.386 1.00 47.92 C ATOM 1286 OD1 ASP A 138 12.285 -7.309 5.827 1.00 44.05 O ATOM 1287 OD2 ASP A 138 10.179 -7.971 5.782 1.00 58.81 O ATOM 1288 H ASP A 138 11.795 -9.780 8.153 1.00 0.00 H ATOM 1289 N ARG A 139 11.677 -8.441 10.918 1.00 41.12 N ATOM 1290 CA ARG A 139 11.559 -8.409 12.389 1.00 41.58 C ATOM 1291 C ARG A 139 12.130 -9.730 12.966 1.00 43.10 C ATOM 1292 O ARG A 139 11.348 -10.543 13.449 1.00 42.25 O ATOM 1293 CB ARG A 139 10.083 -8.206 12.827 1.00 43.91 C ATOM 1294 CG ARG A 139 9.040 -8.887 11.915 1.00 58.20 C ATOM 1295 CD ARG A 139 8.013 -9.742 12.643 1.00 67.94 C ATOM 1296 NE ARG A 139 7.061 -10.336 11.697 1.00 81.53 N ATOM 1297 CZ ARG A 139 6.041 -11.130 12.027 1.00 98.65 C ATOM 1298 NH1 ARG A 139 5.820 -11.448 13.296 1.00 84.39 N ATOM 1299 NH2 ARG A 139 5.237 -11.613 11.088 1.00 87.19 N ATOM 1300 HE ARG A 139 7.192 -10.121 10.688 1.00 0.00 H ATOM 1301 HH12 ARG A 139 5.023 -12.068 13.546 1.00 0.00 H ATOM 1302 HH11 ARG A 139 6.444 -11.078 14.041 1.00 0.00 H ATOM 1303 HH22 ARG A 139 4.443 -12.232 11.351 1.00 0.00 H ATOM 1304 HH21 ARG A 139 5.401 -11.373 10.089 1.00 0.00 H ATOM 1305 H ARG A 139 11.270 -9.264 10.430 1.00 0.00 H ATOM 1306 N PRO A 140 13.463 -9.992 12.931 1.00 38.31 N ATOM 1307 CA PRO A 140 13.953 -11.309 13.391 1.00 37.49 C ATOM 1308 C PRO A 140 14.325 -11.486 14.867 1.00 39.48 C ATOM 1309 O PRO A 140 14.252 -12.622 15.361 1.00 39.16 O ATOM 1310 CB PRO A 140 15.191 -11.537 12.523 1.00 38.95 C ATOM 1311 CG PRO A 140 15.674 -10.181 12.184 1.00 42.43 C ATOM 1312 CD PRO A 140 14.565 -9.190 12.357 1.00 38.23 C ATOM 1313 N MET A 141 14.811 -10.417 15.532 1.00 32.95 N ATOM 1314 CA MET A 141 15.280 -10.447 16.925 1.00 32.08 C ATOM 1315 C MET A 141 14.183 -10.697 17.962 1.00 38.16 C ATOM 1316 O MET A 141 14.457 -11.301 19.001 1.00 38.40 O ATOM 1317 CB MET A 141 16.058 -9.155 17.257 1.00 33.72 C ATOM 1318 CG MET A 141 17.392 -9.055 16.532 1.00 36.09 C ATOM 1319 SD MET A 141 18.804 -9.719 17.446 1.00 38.80 S ATOM 1320 CE MET A 141 20.087 -9.669 16.160 1.00 35.29 C ATOM 1321 H MET A 141 14.857 -9.510 15.025 1.00 0.00 H ATOM 1322 N ASP A 142 12.947 -10.251 17.677 1.00 35.64 N ATOM 1323 CA ASP A 142 11.792 -10.355 18.570 1.00 36.06 C ATOM 1324 C ASP A 142 10.524 -10.074 17.739 1.00 41.36 C ATOM 1325 O ASP A 142 10.616 -9.564 16.623 1.00 41.82 O ATOM 1326 CB ASP A 142 11.930 -9.285 19.698 1.00 37.80 C ATOM 1327 CG ASP A 142 11.181 -9.558 20.998 1.00 49.36 C ATOM 1328 OD1 ASP A 142 10.079 -10.147 20.945 1.00 49.54 O ATOM 1329 OD2 ASP A 142 11.697 -9.180 22.072 1.00 56.76 O ATOM 1330 H ASP A 142 12.801 -9.798 16.752 1.00 0.00 H ATOM 1331 N GLY A 143 9.365 -10.390 18.304 1.00 38.74 N ATOM 1332 CA GLY A 143 8.063 -10.150 17.699 1.00 39.07 C ATOM 1333 C GLY A 143 7.669 -11.091 16.582 1.00 44.75 C ATOM 1334 O GLY A 143 6.814 -10.738 15.772 1.00 45.40 O ATOM 1335 H GLY A 143 9.389 -10.839 19.242 1.00 0.00 H ATOM 1336 N ASN A 144 8.280 -12.290 16.521 1.00 41.53 N ATOM 1337 CA ASN A 144 7.935 -13.291 15.514 1.00 41.08 C ATOM 1338 C ASN A 144 7.667 -14.658 16.178 1.00 43.54 C ATOM 1339 O ASN A 144 8.202 -14.886 17.262 1.00 44.36 O ATOM 1340 CB ASN A 144 8.998 -13.368 14.397 1.00 39.36 C ATOM 1341 CG ASN A 144 10.375 -13.796 14.838 1.00 49.25 C ATOM 1342 OD1 ASN A 144 11.305 -12.991 14.923 1.00 41.26 O ATOM 1343 ND2 ASN A 144 10.555 -15.080 15.089 1.00 34.65 N ATOM 1344 HD22 ASN A 144 9.757 -15.742 15.011 1.00 0.00 H ATOM 1345 HD21 ASN A 144 11.495 -15.429 15.364 1.00 0.00 H ATOM 1346 H ASN A 144 9.023 -12.511 17.215 1.00 0.00 H ATOM 1347 N PRO A 145 6.882 -15.579 15.551 1.00 37.41 N ATOM 1348 CA PRO A 145 6.590 -16.879 16.187 1.00 35.93 C ATOM 1349 C PRO A 145 7.760 -17.685 16.770 1.00 36.33 C ATOM 1350 O PRO A 145 7.514 -18.421 17.724 1.00 34.56 O ATOM 1351 CB PRO A 145 5.905 -17.661 15.070 1.00 37.64 C ATOM 1352 CG PRO A 145 5.201 -16.637 14.306 1.00 42.55 C ATOM 1353 CD PRO A 145 6.120 -15.443 14.291 1.00 38.51 C ATOM 1354 N THR A 146 9.006 -17.540 16.257 1.00 32.74 N ATOM 1355 CA THR A 146 10.167 -18.279 16.780 1.00 33.15 C ATOM 1356 C THR A 146 10.828 -17.577 17.995 1.00 40.17 C ATOM 1357 O THR A 146 11.020 -18.209 19.042 1.00 40.30 O ATOM 1358 CB THR A 146 11.167 -18.592 15.654 1.00 36.39 C ATOM 1359 OG1 THR A 146 10.547 -19.482 14.729 1.00 38.31 O ATOM 1360 CG2 THR A 146 12.448 -19.226 16.160 1.00 30.45 C ATOM 1361 HG1 THR A 146 11.181 -19.691 13.998 1.00 0.00 H ATOM 1362 H THR A 146 9.147 -16.882 15.464 1.00 0.00 H ATOM 1363 N MET A 147 11.224 -16.298 17.841 1.00 37.47 N ATOM 1364 CA MET A 147 11.891 -15.568 18.930 1.00 36.56 C ATOM 1365 C MET A 147 10.968 -15.237 20.120 1.00 39.69 C ATOM 1366 O MET A 147 11.480 -15.093 21.225 1.00 39.41 O ATOM 1367 CB MET A 147 12.624 -14.322 18.422 1.00 38.01 C ATOM 1368 CG MET A 147 13.899 -14.660 17.662 1.00 40.73 C ATOM 1369 SD MET A 147 15.038 -15.819 18.467 1.00 43.99 S ATOM 1370 CE MET A 147 15.834 -14.713 19.642 1.00 40.71 C ATOM 1371 H MET A 147 11.055 -15.818 16.934 1.00 0.00 H ATOM 1372 N ASN A 148 9.634 -15.185 19.916 1.00 36.90 N ATOM 1373 CA ASN A 148 8.642 -14.961 20.985 1.00 37.68 C ATOM 1374 C ASN A 148 8.651 -16.076 22.060 1.00 43.46 C ATOM 1375 O ASN A 148 8.162 -15.861 23.169 1.00 43.53 O ATOM 1376 CB ASN A 148 7.223 -14.858 20.396 1.00 37.36 C ATOM 1377 CG ASN A 148 6.858 -13.528 19.786 1.00 54.21 C ATOM 1378 OD1 ASN A 148 7.538 -12.499 19.962 1.00 48.78 O ATOM 1379 ND2 ASN A 148 5.760 -13.530 19.049 1.00 38.82 N ATOM 1380 HD22 ASN A 148 5.218 -14.409 18.925 1.00 0.00 H ATOM 1381 HD21 ASN A 148 5.438 -12.652 18.593 1.00 0.00 H ATOM 1382 H ASN A 148 9.284 -15.311 18.945 1.00 0.00 H ATOM 1383 N LEU A 149 9.176 -17.262 21.710 1.00 40.68 N ATOM 1384 CA LEU A 149 9.261 -18.448 22.573 1.00 40.67 C ATOM 1385 C LEU A 149 10.338 -18.291 23.641 1.00 42.73 C ATOM 1386 O LEU A 149 10.277 -18.966 24.670 1.00 42.18 O ATOM 1387 CB LEU A 149 9.546 -19.711 21.720 1.00 40.92 C ATOM 1388 CG LEU A 149 8.433 -20.157 20.768 1.00 46.18 C ATOM 1389 CD1 LEU A 149 9.008 -20.813 19.518 1.00 46.60 C ATOM 1390 CD2 LEU A 149 7.436 -21.073 21.470 1.00 48.10 C ATOM 1391 H LEU A 149 9.555 -17.348 20.745 1.00 0.00 H ATOM 1392 N LEU A 150 11.341 -17.432 23.378 1.00 37.07 N ATOM 1393 CA LEU A 150 12.433 -17.151 24.295 1.00 36.24 C ATOM 1394 C LEU A 150 12.212 -15.823 25.024 1.00 39.32 C ATOM 1395 O LEU A 150 11.457 -14.972 24.544 1.00 40.42 O ATOM 1396 CB LEU A 150 13.783 -17.112 23.551 1.00 36.50 C ATOM 1397 CG LEU A 150 14.177 -18.337 22.704 1.00 40.98 C ATOM 1398 CD1 LEU A 150 15.539 -18.113 22.043 1.00 41.38 C ATOM 1399 CD2 LEU A 150 14.211 -19.626 23.543 1.00 43.16 C ATOM 1400 H LEU A 150 11.334 -16.939 22.462 1.00 0.00 H ATOM 1401 N THR A 151 12.877 -15.672 26.189 1.00 32.92 N ATOM 1402 CA THR A 151 12.882 -14.504 27.066 1.00 31.48 C ATOM 1403 C THR A 151 14.294 -13.929 27.197 1.00 32.04 C ATOM 1404 O THR A 151 15.180 -14.501 27.845 1.00 30.14 O ATOM 1405 CB THR A 151 12.190 -14.768 28.428 1.00 31.97 C ATOM 1406 OG1 THR A 151 10.812 -15.120 28.202 1.00 28.88 O ATOM 1407 CG2 THR A 151 12.220 -13.531 29.323 1.00 25.23 C ATOM 1408 HG1 THR A 151 10.355 -14.376 27.736 1.00 0.00 H ATOM 1409 H THR A 151 13.453 -16.481 26.498 1.00 0.00 H ATOM 1410 N GLY A 152 14.487 -12.815 26.522 1.00 30.03 N ATOM 1411 CA GLY A 152 15.737 -12.073 26.547 1.00 29.94 C ATOM 1412 C GLY A 152 15.790 -11.223 27.799 1.00 36.59 C ATOM 1413 O GLY A 152 14.820 -10.544 28.140 1.00 35.64 O ATOM 1414 H GLY A 152 13.706 -12.447 25.942 1.00 0.00 H ATOM 1415 N VAL A 153 16.917 -11.283 28.504 1.00 36.34 N ATOM 1416 CA VAL A 153 17.131 -10.486 29.714 1.00 36.21 C ATOM 1417 C VAL A 153 18.381 -9.605 29.511 1.00 39.48 C ATOM 1418 O VAL A 153 19.305 -10.057 28.830 1.00 38.12 O ATOM 1419 CB VAL A 153 17.176 -11.345 31.019 1.00 39.31 C ATOM 1420 CG1 VAL A 153 15.797 -11.928 31.338 1.00 39.57 C ATOM 1421 CG2 VAL A 153 18.218 -12.446 30.936 1.00 38.73 C ATOM 1422 H VAL A 153 17.674 -11.920 28.184 1.00 0.00 H ATOM 1423 N PRO A 154 18.456 -8.375 30.088 1.00 35.88 N ATOM 1424 CA PRO A 154 19.652 -7.533 29.876 1.00 34.72 C ATOM 1425 C PRO A 154 20.976 -8.274 30.078 1.00 36.81 C ATOM 1426 O PRO A 154 21.081 -9.045 31.035 1.00 34.97 O ATOM 1427 CB PRO A 154 19.473 -6.410 30.898 1.00 36.43 C ATOM 1428 CG PRO A 154 18.023 -6.306 31.079 1.00 40.91 C ATOM 1429 CD PRO A 154 17.454 -7.678 30.928 1.00 36.84 C ATOM 1430 N ASN A 155 21.960 -8.078 29.156 1.00 33.80 N ATOM 1431 CA ASN A 155 23.295 -8.727 29.185 1.00 34.65 C ATOM 1432 C ASN A 155 24.061 -8.515 30.494 1.00 40.15 C ATOM 1433 O ASN A 155 24.849 -9.386 30.885 1.00 39.57 O ATOM 1434 CB ASN A 155 24.166 -8.265 27.993 1.00 30.90 C ATOM 1435 CG ASN A 155 25.655 -8.605 28.063 1.00 38.12 C ATOM 1436 OD1 ASN A 155 26.101 -9.657 27.611 1.00 34.33 O ATOM 1437 ND2 ASN A 155 26.482 -7.697 28.584 1.00 26.10 N ATOM 1438 HD22 ASN A 155 26.103 -6.807 28.966 1.00 0.00 H ATOM 1439 HD21 ASN A 155 27.506 -7.879 28.608 1.00 0.00 H ATOM 1440 H ASN A 155 21.761 -7.424 28.372 1.00 0.00 H ATOM 1441 N GLY A 156 23.894 -7.332 31.101 1.00 36.85 N ATOM 1442 CA GLY A 156 24.586 -6.955 32.334 1.00 36.24 C ATOM 1443 C GLY A 156 24.195 -7.803 33.534 1.00 39.94 C ATOM 1444 O GLY A 156 24.943 -7.869 34.516 1.00 39.63 O ATOM 1445 H GLY A 156 23.239 -6.647 30.674 1.00 0.00 H ATOM 1446 N MET A 157 23.016 -8.467 33.437 1.00 34.30 N ATOM 1447 CA MET A 157 22.409 -9.363 34.415 1.00 33.14 C ATOM 1448 C MET A 157 22.824 -10.840 34.207 1.00 39.62 C ATOM 1449 O MET A 157 22.351 -11.688 34.960 1.00 39.16 O ATOM 1450 CB MET A 157 20.867 -9.263 34.311 1.00 34.90 C ATOM 1451 CG MET A 157 20.249 -7.939 34.811 1.00 37.71 C ATOM 1452 SD MET A 157 18.430 -7.957 34.651 1.00 41.29 S ATOM 1453 CE MET A 157 18.017 -6.280 35.082 1.00 38.53 C ATOM 1454 H MET A 157 22.480 -8.319 32.558 1.00 0.00 H ATOM 1455 N LEU A 158 23.700 -11.151 33.209 1.00 38.22 N ATOM 1456 CA LEU A 158 24.088 -12.524 32.835 1.00 38.78 C ATOM 1457 C LEU A 158 24.564 -13.427 34.011 1.00 44.85 C ATOM 1458 O LEU A 158 24.142 -14.593 34.081 1.00 43.03 O ATOM 1459 CB LEU A 158 25.113 -12.518 31.688 1.00 38.09 C ATOM 1460 CG LEU A 158 25.932 -13.790 31.369 1.00 42.17 C ATOM 1461 CD1 LEU A 158 25.082 -14.874 30.730 1.00 41.86 C ATOM 1462 CD2 LEU A 158 27.076 -13.453 30.428 1.00 45.54 C ATOM 1463 H LEU A 158 24.124 -10.366 32.675 1.00 0.00 H ATOM 1464 N GLN A 159 25.426 -12.915 34.911 1.00 42.98 N ATOM 1465 CA GLN A 159 25.904 -13.766 36.005 1.00 42.96 C ATOM 1466 C GLN A 159 25.168 -13.485 37.337 1.00 46.31 C ATOM 1467 O GLN A 159 25.772 -13.595 38.407 1.00 46.63 O ATOM 1468 CB GLN A 159 27.457 -13.768 36.150 1.00 44.46 C ATOM 1469 CG GLN A 159 28.202 -12.421 36.025 1.00 50.39 C ATOM 1470 CD GLN A 159 29.340 -12.427 35.007 1.00 61.97 C ATOM 1471 OE1 GLN A 159 30.343 -11.704 35.135 1.00 48.02 O ATOM 1472 NE2 GLN A 159 29.197 -13.196 33.937 1.00 61.46 N ATOM 1473 HE22 GLN A 159 28.355 -13.798 33.838 1.00 0.00 H ATOM 1474 HE21 GLN A 159 29.927 -13.198 33.196 1.00 0.00 H ATOM 1475 H GLN A 159 25.748 -11.929 34.831 1.00 0.00 H ATOM 1476 N SER A 160 23.833 -13.259 37.268 1.00 41.99 N ATOM 1477 CA SER A 160 22.985 -13.023 38.449 1.00 41.49 C ATOM 1478 C SER A 160 21.980 -14.167 38.717 1.00 43.93 C ATOM 1479 O SER A 160 21.383 -14.672 37.765 1.00 41.99 O ATOM 1480 CB SER A 160 22.285 -11.663 38.376 1.00 44.62 C ATOM 1481 OG SER A 160 20.971 -11.711 37.850 1.00 50.48 O ATOM 1482 HG SER A 160 20.999 -12.073 36.929 1.00 0.00 H ATOM 1483 H SER A 160 23.383 -13.252 36.330 1.00 0.00 H ATOM 1484 N PRO A 161 21.748 -14.533 40.011 1.00 39.31 N ATOM 1485 CA PRO A 161 20.837 -15.648 40.322 1.00 37.88 C ATOM 1486 C PRO A 161 19.365 -15.471 39.951 1.00 40.34 C ATOM 1487 O PRO A 161 18.690 -16.466 39.697 1.00 40.02 O ATOM 1488 CB PRO A 161 20.997 -15.822 41.838 1.00 40.03 C ATOM 1489 CG PRO A 161 21.477 -14.499 42.333 1.00 45.37 C ATOM 1490 CD PRO A 161 22.385 -14.010 41.239 1.00 41.15 C ATOM 1491 N GLN A 162 18.872 -14.227 39.918 1.00 35.70 N ATOM 1492 CA GLN A 162 17.470 -13.885 39.619 1.00 35.68 C ATOM 1493 C GLN A 162 17.020 -14.272 38.206 1.00 39.16 C ATOM 1494 O GLN A 162 15.827 -14.482 37.984 1.00 36.98 O ATOM 1495 CB GLN A 162 17.212 -12.384 39.826 1.00 37.25 C ATOM 1496 CG GLN A 162 17.066 -11.947 41.281 1.00 50.10 C ATOM 1497 CD GLN A 162 18.365 -11.887 42.041 1.00 65.42 C ATOM 1498 OE1 GLN A 162 19.464 -11.741 41.467 1.00 62.38 O ATOM 1499 NE2 GLN A 162 18.258 -12.007 43.359 1.00 53.98 N ATOM 1500 HE22 GLN A 162 17.322 -12.127 43.796 1.00 0.00 H ATOM 1501 HE21 GLN A 162 19.110 -11.981 43.954 1.00 0.00 H ATOM 1502 H GLN A 162 19.527 -13.444 40.118 1.00 0.00 H ATOM 1503 N VAL A 163 17.968 -14.353 37.261 1.00 37.96 N ATOM 1504 CA VAL A 163 17.640 -14.663 35.870 1.00 39.09 C ATOM 1505 C VAL A 163 17.887 -16.136 35.497 1.00 44.55 C ATOM 1506 O VAL A 163 17.298 -16.574 34.510 1.00 43.62 O ATOM 1507 CB VAL A 163 18.293 -13.689 34.838 1.00 42.18 C ATOM 1508 CG1 VAL A 163 17.680 -12.296 34.938 1.00 42.06 C ATOM 1509 CG2 VAL A 163 19.812 -13.637 34.968 1.00 41.64 C ATOM 1510 H VAL A 163 18.961 -14.191 37.524 1.00 0.00 H ATOM 1511 N LEU A 164 18.703 -16.899 36.281 1.00 43.17 N ATOM 1512 CA LEU A 164 18.971 -18.331 36.010 1.00 43.65 C ATOM 1513 C LEU A 164 17.722 -19.125 35.610 1.00 47.80 C ATOM 1514 O LEU A 164 17.757 -19.735 34.542 1.00 49.00 O ATOM 1515 CB LEU A 164 19.714 -19.049 37.155 1.00 43.99 C ATOM 1516 CG LEU A 164 21.221 -18.916 37.215 1.00 49.27 C ATOM 1517 CD1 LEU A 164 21.785 -19.794 38.306 1.00 49.61 C ATOM 1518 CD2 LEU A 164 21.877 -19.298 35.883 1.00 52.67 C ATOM 1519 H LEU A 164 19.157 -16.456 37.105 1.00 0.00 H ATOM 1520 N PRO A 165 16.586 -19.062 36.361 1.00 42.23 N ATOM 1521 CA PRO A 165 15.396 -19.828 35.952 1.00 40.58 C ATOM 1522 C PRO A 165 14.759 -19.419 34.618 1.00 40.24 C ATOM 1523 O PRO A 165 14.087 -20.248 33.982 1.00 38.25 O ATOM 1524 CB PRO A 165 14.433 -19.631 37.138 1.00 42.79 C ATOM 1525 CG PRO A 165 15.343 -19.326 38.305 1.00 47.96 C ATOM 1526 CD PRO A 165 16.360 -18.427 37.681 1.00 43.99 C ATOM 1527 N THR A 166 14.921 -18.136 34.210 1.00 33.66 N ATOM 1528 CA THR A 166 14.405 -17.638 32.937 1.00 32.05 C ATOM 1529 C THR A 166 15.250 -18.235 31.791 1.00 34.92 C ATOM 1530 O THR A 166 14.700 -18.671 30.779 1.00 34.50 O ATOM 1531 CB THR A 166 14.427 -16.104 32.936 1.00 33.80 C ATOM 1532 OG1 THR A 166 13.449 -15.613 33.854 1.00 28.69 O ATOM 1533 CG2 THR A 166 14.195 -15.517 31.565 1.00 30.70 C ATOM 1534 HG1 THR A 166 13.655 -15.946 34.763 1.00 0.00 H ATOM 1535 H THR A 166 15.435 -17.478 34.830 1.00 0.00 H ATOM 1536 N LEU A 167 16.581 -18.254 31.979 1.00 32.21 N ATOM 1537 CA LEU A 167 17.571 -18.748 31.027 1.00 32.36 C ATOM 1538 C LEU A 167 17.526 -20.267 30.890 1.00 39.41 C ATOM 1539 O LEU A 167 17.793 -20.775 29.804 1.00 39.14 O ATOM 1540 CB LEU A 167 18.983 -18.251 31.401 1.00 31.97 C ATOM 1541 CG LEU A 167 19.145 -16.719 31.549 1.00 35.27 C ATOM 1542 CD1 LEU A 167 20.525 -16.368 32.001 1.00 34.75 C ATOM 1543 CD2 LEU A 167 18.792 -15.986 30.247 1.00 37.72 C ATOM 1544 H LEU A 167 16.937 -17.884 32.883 1.00 0.00 H ATOM 1545 N ARG A 168 17.184 -20.986 31.985 1.00 36.58 N ATOM 1546 CA ARG A 168 17.033 -22.439 31.980 1.00 36.04 C ATOM 1547 C ARG A 168 15.759 -22.784 31.169 1.00 40.83 C ATOM 1548 O ARG A 168 15.813 -23.645 30.290 1.00 42.32 O ATOM 1549 CB ARG A 168 16.963 -22.985 33.414 1.00 34.40 C ATOM 1550 CG ARG A 168 16.448 -24.418 33.498 1.00 41.46 C ATOM 1551 CD ARG A 168 16.465 -25.016 34.901 1.00 38.79 C ATOM 1552 NE ARG A 168 17.817 -25.365 35.352 1.00 33.41 N ATOM 1553 CZ ARG A 168 18.491 -26.444 34.966 1.00 57.22 C ATOM 1554 NH1 ARG A 168 19.709 -26.678 35.441 1.00 52.04 N ATOM 1555 NH2 ARG A 168 17.958 -27.291 34.091 1.00 43.81 N ATOM 1556 HE ARG A 168 18.282 -24.721 36.023 1.00 0.00 H ATOM 1557 HH12 ARG A 168 20.232 -27.523 35.136 1.00 0.00 H ATOM 1558 HH11 ARG A 168 20.139 -26.016 36.118 1.00 0.00 H ATOM 1559 HH22 ARG A 168 18.490 -28.133 33.793 1.00 0.00 H ATOM 1560 HH21 ARG A 168 17.009 -27.111 33.705 1.00 0.00 H ATOM 1561 H ARG A 168 17.020 -20.477 32.877 1.00 0.00 H ATOM 1562 N ARG A 169 14.648 -22.061 31.410 1.00 35.03 N ATOM 1563 CA ARG A 169 13.390 -22.256 30.693 1.00 34.51 C ATOM 1564 C ARG A 169 13.610 -22.079 29.169 1.00 37.16 C ATOM 1565 O ARG A 169 13.109 -22.888 28.373 1.00 35.82 O ATOM 1566 CB ARG A 169 12.338 -21.288 31.253 1.00 36.23 C ATOM 1567 CG ARG A 169 10.928 -21.405 30.677 1.00 47.96 C ATOM 1568 CD ARG A 169 10.245 -20.040 30.598 1.00 66.62 C ATOM 1569 NE ARG A 169 10.185 -19.339 31.888 1.00 80.28 N ATOM 1570 CZ ARG A 169 10.282 -18.017 32.036 1.00 98.83 C ATOM 1571 NH1 ARG A 169 10.442 -17.232 30.976 1.00 88.48 N ATOM 1572 NH2 ARG A 169 10.219 -17.472 33.243 1.00 86.84 N ATOM 1573 HE ARG A 169 10.058 -19.914 32.745 1.00 0.00 H ATOM 1574 HH12 ARG A 169 10.517 -16.202 31.098 1.00 0.00 H ATOM 1575 HH11 ARG A 169 10.492 -17.648 30.024 1.00 0.00 H ATOM 1576 HH22 ARG A 169 10.295 -16.441 33.352 1.00 0.00 H ATOM 1577 HH21 ARG A 169 10.093 -18.076 34.080 1.00 0.00 H ATOM 1578 H ARG A 169 14.688 -21.326 32.145 1.00 0.00 H ATOM 1579 N ASN A 170 14.414 -21.048 28.791 1.00 34.12 N ATOM 1580 CA ASN A 170 14.830 -20.716 27.419 1.00 34.45 C ATOM 1581 C ASN A 170 15.567 -21.905 26.767 1.00 39.35 C ATOM 1582 O ASN A 170 15.351 -22.174 25.591 1.00 38.41 O ATOM 1583 CB ASN A 170 15.777 -19.516 27.426 1.00 33.58 C ATOM 1584 CG ASN A 170 15.154 -18.151 27.594 1.00 33.58 C ATOM 1585 OD1 ASN A 170 13.964 -17.928 27.380 1.00 20.32 O ATOM 1586 ND2 ASN A 170 16.002 -17.191 27.855 1.00 28.07 N ATOM 1587 HD22 ASN A 170 17.002 -17.414 28.031 1.00 0.00 H ATOM 1588 HD21 ASN A 170 15.676 -16.204 27.886 1.00 0.00 H ATOM 1589 H ASN A 170 14.771 -20.432 29.549 1.00 0.00 H ATOM 1590 N GLN A 171 16.458 -22.572 27.533 1.00 37.58 N ATOM 1591 CA GLN A 171 17.221 -23.749 27.120 1.00 37.65 C ATOM 1592 C GLN A 171 16.292 -24.959 26.902 1.00 43.38 C ATOM 1593 O GLN A 171 16.501 -25.707 25.941 1.00 43.72 O ATOM 1594 CB GLN A 171 18.338 -24.058 28.124 1.00 38.07 C ATOM 1595 CG GLN A 171 19.181 -25.273 27.752 1.00 27.70 C ATOM 1596 CD GLN A 171 20.649 -25.043 27.632 1.00 41.29 C ATOM 1597 OE1 GLN A 171 21.425 -25.993 27.524 1.00 37.30 O ATOM 1598 NE2 GLN A 171 21.074 -23.793 27.612 1.00 37.55 N ATOM 1599 HE22 GLN A 171 20.395 -23.011 27.705 1.00 0.00 H ATOM 1600 HE21 GLN A 171 22.088 -23.590 27.503 1.00 0.00 H ATOM 1601 H GLN A 171 16.614 -22.218 28.498 1.00 0.00 H ATOM 1602 N GLU A 172 15.251 -25.117 27.764 1.00 39.61 N ATOM 1603 CA GLU A 172 14.236 -26.182 27.665 1.00 38.29 C ATOM 1604 C GLU A 172 13.370 -25.971 26.436 1.00 40.83 C ATOM 1605 O GLU A 172 13.017 -26.943 25.763 1.00 40.58 O ATOM 1606 CB GLU A 172 13.356 -26.220 28.922 1.00 39.36 C ATOM 1607 CG GLU A 172 14.024 -26.914 30.091 1.00 45.72 C ATOM 1608 CD GLU A 172 13.381 -26.789 31.461 1.00 56.55 C ATOM 1609 OE1 GLU A 172 14.098 -27.068 32.450 1.00 35.27 O ATOM 1610 OE2 GLU A 172 12.181 -26.430 31.557 1.00 40.33 O ATOM 1611 H GLU A 172 15.165 -24.439 28.548 1.00 0.00 H ATOM 1612 N LYS A 173 13.015 -24.703 26.147 1.00 35.24 N ATOM 1613 CA LYS A 173 12.223 -24.369 24.979 1.00 34.49 C ATOM 1614 C LYS A 173 13.034 -24.421 23.693 1.00 38.10 C ATOM 1615 O LYS A 173 12.441 -24.627 22.633 1.00 39.44 O ATOM 1616 CB LYS A 173 11.499 -23.041 25.147 1.00 36.69 C ATOM 1617 CG LYS A 173 10.182 -23.206 25.876 1.00 40.07 C ATOM 1618 CD LYS A 173 9.637 -21.876 26.320 1.00 47.73 C ATOM 1619 CE LYS A 173 8.392 -21.492 25.548 1.00 37.16 C ATOM 1620 NZ LYS A 173 7.988 -20.106 25.877 1.00 31.75 N ATOM 1621 HZ1 LYS A 173 7.791 -20.036 26.896 1.00 0.00 H ATOM 1622 HZ2 LYS A 173 8.758 -19.453 25.626 1.00 0.00 H ATOM 1623 HZ3 LYS A 173 7.133 -19.859 25.339 1.00 0.00 H ATOM 1624 H LYS A 173 13.319 -23.939 26.783 1.00 0.00 H ATOM 1625 N LEU A 174 14.385 -24.242 23.781 1.00 32.68 N ATOM 1626 CA LEU A 174 15.297 -24.350 22.638 1.00 31.63 C ATOM 1627 C LEU A 174 15.227 -25.796 22.104 1.00 35.96 C ATOM 1628 O LEU A 174 15.042 -25.997 20.909 1.00 36.39 O ATOM 1629 CB LEU A 174 16.750 -23.981 23.037 1.00 30.67 C ATOM 1630 CG LEU A 174 17.898 -24.328 22.042 1.00 33.35 C ATOM 1631 CD1 LEU A 174 17.856 -23.462 20.804 1.00 32.52 C ATOM 1632 CD2 LEU A 174 19.241 -24.205 22.696 1.00 30.69 C ATOM 1633 H LEU A 174 14.790 -24.016 24.712 1.00 0.00 H ATOM 1634 N TYR A 175 15.325 -26.777 23.010 1.00 32.30 N ATOM 1635 CA TYR A 175 15.258 -28.200 22.704 1.00 32.48 C ATOM 1636 C TYR A 175 13.889 -28.598 22.175 1.00 37.39 C ATOM 1637 O TYR A 175 13.848 -29.315 21.190 1.00 37.33 O ATOM 1638 CB TYR A 175 15.633 -29.048 23.930 1.00 31.56 C ATOM 1639 CG TYR A 175 17.037 -28.857 24.474 1.00 31.34 C ATOM 1640 CD1 TYR A 175 17.299 -28.978 25.836 1.00 32.57 C ATOM 1641 CD2 TYR A 175 18.122 -28.677 23.621 1.00 31.41 C ATOM 1642 CE1 TYR A 175 18.596 -28.891 26.337 1.00 32.21 C ATOM 1643 CE2 TYR A 175 19.426 -28.606 24.110 1.00 31.59 C ATOM 1644 CZ TYR A 175 19.659 -28.736 25.469 1.00 34.77 C ATOM 1645 OH TYR A 175 20.938 -28.641 25.970 1.00 30.73 O ATOM 1646 HH TYR A 175 21.503 -29.346 25.565 1.00 0.00 H ATOM 1647 H TYR A 175 15.459 -26.503 24.004 1.00 0.00 H ATOM 1648 N ARG A 176 12.776 -28.101 22.781 1.00 36.02 N ATOM 1649 CA ARG A 176 11.404 -28.409 22.331 1.00 35.88 C ATOM 1650 C ARG A 176 11.157 -27.935 20.897 1.00 40.54 C ATOM 1651 O ARG A 176 10.486 -28.630 20.125 1.00 40.49 O ATOM 1652 CB ARG A 176 10.347 -27.783 23.253 1.00 35.78 C ATOM 1653 CG ARG A 176 9.838 -28.707 24.339 1.00 51.89 C ATOM 1654 CD ARG A 176 8.805 -28.020 25.215 1.00 60.29 C ATOM 1655 NE ARG A 176 7.430 -28.369 24.841 1.00 71.92 N ATOM 1656 CZ ARG A 176 6.759 -29.414 25.326 1.00 88.32 C ATOM 1657 NH1 ARG A 176 7.339 -30.247 26.183 1.00 76.34 N ATOM 1658 NH2 ARG A 176 5.510 -29.644 24.942 1.00 70.64 N ATOM 1659 HE ARG A 176 6.946 -27.760 24.151 1.00 0.00 H ATOM 1660 HH12 ARG A 176 6.809 -31.060 26.557 1.00 0.00 H ATOM 1661 HH11 ARG A 176 8.323 -30.086 26.480 1.00 0.00 H ATOM 1662 HH22 ARG A 176 4.991 -30.461 25.323 1.00 0.00 H ATOM 1663 HH21 ARG A 176 5.050 -29.008 24.260 1.00 0.00 H ATOM 1664 H ARG A 176 12.898 -27.473 23.601 1.00 0.00 H ATOM 1665 N PHE A 177 11.679 -26.729 20.554 1.00 36.52 N ATOM 1666 CA PHE A 177 11.550 -26.138 19.221 1.00 34.71 C ATOM 1667 C PHE A 177 12.304 -27.015 18.204 1.00 34.84 C ATOM 1668 O PHE A 177 11.745 -27.367 17.169 1.00 33.21 O ATOM 1669 CB PHE A 177 12.105 -24.695 19.234 1.00 36.35 C ATOM 1670 CG PHE A 177 12.155 -24.024 17.882 1.00 37.33 C ATOM 1671 CD1 PHE A 177 11.049 -23.349 17.383 1.00 40.72 C ATOM 1672 CD2 PHE A 177 13.310 -24.063 17.113 1.00 39.09 C ATOM 1673 CE1 PHE A 177 11.088 -22.749 16.121 1.00 41.53 C ATOM 1674 CE2 PHE A 177 13.349 -23.471 15.851 1.00 41.76 C ATOM 1675 CZ PHE A 177 12.235 -22.822 15.360 1.00 39.91 C ATOM 1676 H PHE A 177 12.200 -26.195 21.279 1.00 0.00 H ATOM 1677 N LEU A 178 13.576 -27.317 18.500 1.00 30.58 N ATOM 1678 CA LEU A 178 14.480 -28.104 17.676 1.00 31.49 C ATOM 1679 C LEU A 178 13.996 -29.511 17.457 1.00 40.86 C ATOM 1680 O LEU A 178 13.936 -29.927 16.309 1.00 41.87 O ATOM 1681 CB LEU A 178 15.917 -28.075 18.225 1.00 30.65 C ATOM 1682 CG LEU A 178 16.602 -26.702 18.140 1.00 33.81 C ATOM 1683 CD1 LEU A 178 17.838 -26.675 18.919 1.00 33.58 C ATOM 1684 CD2 LEU A 178 16.828 -26.250 16.707 1.00 35.46 C ATOM 1685 H LEU A 178 13.950 -26.956 19.401 1.00 0.00 H ATOM 1686 N ALA A 179 13.555 -30.210 18.527 1.00 39.81 N ATOM 1687 CA ALA A 179 12.974 -31.554 18.431 1.00 40.28 C ATOM 1688 C ALA A 179 11.753 -31.514 17.499 1.00 47.20 C ATOM 1689 O ALA A 179 11.574 -32.417 16.693 1.00 47.67 O ATOM 1690 CB ALA A 179 12.573 -32.050 19.814 1.00 40.98 C ATOM 1691 H ALA A 179 13.632 -29.772 19.467 1.00 0.00 H ATOM 1692 N HIS A 180 10.987 -30.414 17.529 1.00 45.70 N ATOM 1693 CA HIS A 180 9.810 -30.209 16.688 1.00 46.12 C ATOM 1694 C HIS A 180 10.127 -30.063 15.186 1.00 49.42 C ATOM 1695 O HIS A 180 9.428 -30.666 14.375 1.00 49.68 O ATOM 1696 CB HIS A 180 9.004 -29.014 17.216 1.00 47.81 C ATOM 1697 CG HIS A 180 7.646 -28.848 16.621 1.00 52.20 C ATOM 1698 ND1 HIS A 180 7.472 -28.319 15.350 1.00 54.64 N ATOM 1699 CD2 HIS A 180 6.431 -29.068 17.176 1.00 55.10 C ATOM 1700 CE1 HIS A 180 6.163 -28.273 15.156 1.00 54.68 C ATOM 1701 NE2 HIS A 180 5.493 -28.719 16.224 1.00 55.23 N ATOM 1702 H HIS A 180 11.247 -29.658 18.194 1.00 0.00 H ATOM 1703 N HIS A 181 11.159 -29.286 14.813 1.00 45.39 N ATOM 1704 CA HIS A 181 11.502 -29.025 13.403 1.00 44.88 C ATOM 1705 C HIS A 181 12.735 -29.769 12.831 1.00 45.42 C ATOM 1706 O HIS A 181 12.970 -29.716 11.622 1.00 45.79 O ATOM 1707 CB HIS A 181 11.691 -27.516 13.185 1.00 46.00 C ATOM 1708 CG HIS A 181 10.477 -26.692 13.455 1.00 49.77 C ATOM 1709 ND1 HIS A 181 10.348 -25.962 14.625 1.00 52.00 N ATOM 1710 CD2 HIS A 181 9.367 -26.515 12.702 1.00 51.95 C ATOM 1711 CE1 HIS A 181 9.169 -25.362 14.546 1.00 51.59 C ATOM 1712 NE2 HIS A 181 8.546 -25.659 13.402 1.00 51.93 N ATOM 1713 H HIS A 181 11.743 -28.848 15.554 1.00 0.00 H ATOM 1714 N SER A 182 13.525 -30.428 13.668 1.00 40.18 N ATOM 1715 CA SER A 182 14.745 -31.058 13.187 1.00 39.47 C ATOM 1716 C SER A 182 14.891 -32.564 13.463 1.00 43.37 C ATOM 1717 O SER A 182 15.271 -32.941 14.578 1.00 42.46 O ATOM 1718 CB SER A 182 15.972 -30.314 13.708 1.00 39.97 C ATOM 1719 OG SER A 182 17.195 -30.873 13.255 1.00 39.48 O ATOM 1720 HG SER A 182 17.223 -30.844 12.266 1.00 0.00 H ATOM 1721 H SER A 182 13.271 -30.495 14.674 1.00 0.00 H ATOM 1722 N PRO A 183 14.745 -33.408 12.393 1.00 40.22 N ATOM 1723 CA PRO A 183 15.020 -34.853 12.532 1.00 39.81 C ATOM 1724 C PRO A 183 16.445 -35.161 12.989 1.00 42.77 C ATOM 1725 O PRO A 183 16.620 -36.120 13.727 1.00 43.00 O ATOM 1726 CB PRO A 183 14.788 -35.410 11.117 1.00 41.50 C ATOM 1727 CG PRO A 183 13.944 -34.409 10.436 1.00 45.88 C ATOM 1728 CD PRO A 183 14.313 -33.077 11.020 1.00 41.41 C ATOM 1729 N TYR A 184 17.466 -34.366 12.558 1.00 39.05 N ATOM 1730 CA TYR A 184 18.860 -34.565 12.992 1.00 37.56 C ATOM 1731 C TYR A 184 18.942 -34.453 14.509 1.00 40.28 C ATOM 1732 O TYR A 184 19.611 -35.270 15.153 1.00 40.04 O ATOM 1733 CB TYR A 184 19.820 -33.521 12.364 1.00 38.36 C ATOM 1734 CG TYR A 184 21.263 -33.754 12.762 1.00 39.44 C ATOM 1735 CD1 TYR A 184 22.085 -34.596 12.015 1.00 41.96 C ATOM 1736 CD2 TYR A 184 21.784 -33.205 13.930 1.00 38.97 C ATOM 1737 CE1 TYR A 184 23.401 -34.851 12.401 1.00 42.60 C ATOM 1738 CE2 TYR A 184 23.085 -33.480 14.342 1.00 39.75 C ATOM 1739 CZ TYR A 184 23.898 -34.293 13.568 1.00 47.56 C ATOM 1740 OH TYR A 184 25.190 -34.567 13.973 1.00 45.23 O ATOM 1741 HH TYR A 184 25.625 -35.158 13.308 1.00 0.00 H ATOM 1742 H TYR A 184 17.253 -33.591 11.899 1.00 0.00 H ATOM 1743 N PHE A 185 18.295 -33.400 15.073 1.00 36.02 N ATOM 1744 CA PHE A 185 18.260 -33.157 16.507 1.00 33.91 C ATOM 1745 C PHE A 185 17.600 -34.350 17.198 1.00 37.10 C ATOM 1746 O PHE A 185 18.238 -34.934 18.044 1.00 37.62 O ATOM 1747 CB PHE A 185 17.541 -31.834 16.846 1.00 34.73 C ATOM 1748 CG PHE A 185 17.568 -31.496 18.322 1.00 34.91 C ATOM 1749 CD1 PHE A 185 18.725 -31.013 18.922 1.00 38.16 C ATOM 1750 CD2 PHE A 185 16.447 -31.681 19.113 1.00 34.77 C ATOM 1751 CE1 PHE A 185 18.749 -30.713 20.287 1.00 37.97 C ATOM 1752 CE2 PHE A 185 16.475 -31.385 20.470 1.00 36.93 C ATOM 1753 CZ PHE A 185 17.632 -30.919 21.052 1.00 35.52 C ATOM 1754 H PHE A 185 17.799 -32.733 14.447 1.00 0.00 H ATOM 1755 N ARG A 186 16.382 -34.757 16.788 1.00 36.33 N ATOM 1756 CA ARG A 186 15.654 -35.910 17.364 1.00 36.92 C ATOM 1757 C ARG A 186 16.493 -37.181 17.470 1.00 41.90 C ATOM 1758 O ARG A 186 16.522 -37.809 18.535 1.00 42.08 O ATOM 1759 CB ARG A 186 14.366 -36.190 16.587 1.00 36.44 C ATOM 1760 CG ARG A 186 13.303 -35.137 16.824 1.00 41.21 C ATOM 1761 CD ARG A 186 11.989 -35.490 16.179 1.00 38.00 C ATOM 1762 NE ARG A 186 12.078 -35.514 14.718 1.00 34.76 N ATOM 1763 CZ ARG A 186 11.432 -34.685 13.911 1.00 49.26 C ATOM 1764 NH1 ARG A 186 10.628 -33.756 14.407 1.00 42.41 N ATOM 1765 NH2 ARG A 186 11.566 -34.792 12.600 1.00 44.86 N ATOM 1766 HE ARG A 186 12.691 -36.232 14.283 1.00 0.00 H ATOM 1767 HH12 ARG A 186 10.124 -33.109 13.767 1.00 0.00 H ATOM 1768 HH11 ARG A 186 10.501 -33.674 15.436 1.00 0.00 H ATOM 1769 HH22 ARG A 186 11.057 -34.139 11.970 1.00 0.00 H ATOM 1770 HH21 ARG A 186 12.180 -35.529 12.198 1.00 0.00 H ATOM 1771 H ARG A 186 15.925 -34.227 16.018 1.00 0.00 H ATOM 1772 N SER A 187 17.197 -37.537 16.373 1.00 39.37 N ATOM 1773 CA SER A 187 18.057 -38.722 16.263 1.00 38.90 C ATOM 1774 C SER A 187 19.320 -38.669 17.124 1.00 43.31 C ATOM 1775 O SER A 187 19.817 -39.731 17.518 1.00 41.30 O ATOM 1776 CB SER A 187 18.452 -38.960 14.807 1.00 40.99 C ATOM 1777 OG SER A 187 17.307 -39.112 13.987 1.00 42.28 O ATOM 1778 HG SER A 187 16.756 -38.291 14.036 1.00 0.00 H ATOM 1779 H SER A 187 17.124 -36.921 15.538 1.00 0.00 H ATOM 1780 N HIS A 188 19.860 -37.454 17.399 1.00 41.31 N ATOM 1781 CA HIS A 188 21.095 -37.322 18.181 1.00 41.04 C ATOM 1782 C HIS A 188 20.893 -36.644 19.528 1.00 43.60 C ATOM 1783 O HIS A 188 21.869 -36.352 20.226 1.00 42.56 O ATOM 1784 CB HIS A 188 22.150 -36.560 17.375 1.00 41.90 C ATOM 1785 CG HIS A 188 22.537 -37.211 16.093 1.00 44.88 C ATOM 1786 ND1 HIS A 188 21.753 -37.091 14.961 1.00 46.66 N ATOM 1787 CD2 HIS A 188 23.649 -37.912 15.786 1.00 46.54 C ATOM 1788 CE1 HIS A 188 22.391 -37.755 14.012 1.00 45.92 C ATOM 1789 NE2 HIS A 188 23.543 -38.257 14.458 1.00 46.31 N ATOM 1790 H HIS A 188 19.388 -36.597 17.047 1.00 0.00 H ATOM 1791 N ARG A 189 19.629 -36.418 19.882 1.00 39.91 N ATOM 1792 CA ARG A 189 19.106 -35.697 21.050 1.00 40.22 C ATOM 1793 C ARG A 189 19.874 -35.895 22.378 1.00 46.01 C ATOM 1794 O ARG A 189 20.222 -34.883 22.995 1.00 46.98 O ATOM 1795 CB ARG A 189 17.612 -36.031 21.218 1.00 38.17 C ATOM 1796 CG ARG A 189 16.980 -35.535 22.501 1.00 40.57 C ATOM 1797 CD ARG A 189 16.130 -34.353 22.228 1.00 46.32 C ATOM 1798 NE ARG A 189 14.715 -34.638 22.415 1.00 52.65 N ATOM 1799 CZ ARG A 189 13.864 -33.810 23.008 1.00 63.92 C ATOM 1800 NH1 ARG A 189 14.284 -32.643 23.487 1.00 58.18 N ATOM 1801 NH2 ARG A 189 12.589 -34.136 23.123 1.00 42.45 N ATOM 1802 HE ARG A 189 14.349 -35.545 22.063 1.00 0.00 H ATOM 1803 HH12 ARG A 189 13.612 -31.999 23.951 1.00 0.00 H ATOM 1804 HH11 ARG A 189 15.285 -32.374 23.398 1.00 0.00 H ATOM 1805 HH22 ARG A 189 11.926 -33.484 23.588 1.00 0.00 H ATOM 1806 HH21 ARG A 189 12.249 -35.044 22.748 1.00 0.00 H ATOM 1807 H ARG A 189 18.910 -36.808 19.240 1.00 0.00 H ATOM 1808 N ALA A 190 20.113 -37.160 22.822 1.00 41.73 N ATOM 1809 CA ALA A 190 20.796 -37.477 24.090 1.00 41.17 C ATOM 1810 C ALA A 190 22.245 -37.029 24.123 1.00 45.06 C ATOM 1811 O ALA A 190 22.757 -36.655 25.175 1.00 44.04 O ATOM 1812 CB ALA A 190 20.720 -38.972 24.383 1.00 41.54 C ATOM 1813 H ALA A 190 19.794 -37.953 22.229 1.00 0.00 H ATOM 1814 N ALA A 191 22.920 -37.118 22.986 1.00 41.30 N ATOM 1815 CA ALA A 191 24.311 -36.723 22.889 1.00 40.48 C ATOM 1816 C ALA A 191 24.383 -35.176 22.840 1.00 43.42 C ATOM 1817 O ALA A 191 25.200 -34.581 23.549 1.00 42.38 O ATOM 1818 CB ALA A 191 24.929 -37.351 21.647 1.00 41.00 C ATOM 1819 H ALA A 191 22.438 -37.482 22.139 1.00 0.00 H ATOM 1820 N ILE A 192 23.480 -34.542 22.057 1.00 39.37 N ATOM 1821 CA ILE A 192 23.400 -33.082 21.896 1.00 39.07 C ATOM 1822 C ILE A 192 23.039 -32.412 23.231 1.00 44.24 C ATOM 1823 O ILE A 192 23.785 -31.546 23.680 1.00 44.59 O ATOM 1824 CB ILE A 192 22.456 -32.624 20.744 1.00 41.43 C ATOM 1825 CG1 ILE A 192 22.825 -33.267 19.378 1.00 39.95 C ATOM 1826 CG2 ILE A 192 22.449 -31.061 20.641 1.00 42.61 C ATOM 1827 CD1 ILE A 192 21.826 -32.913 18.169 1.00 29.80 C ATOM 1828 H ILE A 192 22.797 -35.126 21.534 1.00 0.00 H ATOM 1829 N GLU A 193 21.905 -32.814 23.855 1.00 40.19 N ATOM 1830 CA GLU A 193 21.462 -32.261 25.135 1.00 39.24 C ATOM 1831 C GLU A 193 22.542 -32.322 26.187 1.00 45.39 C ATOM 1832 O GLU A 193 22.810 -31.299 26.814 1.00 46.72 O ATOM 1833 CB GLU A 193 20.168 -32.903 25.631 1.00 39.81 C ATOM 1834 CG GLU A 193 18.936 -32.292 24.990 1.00 42.28 C ATOM 1835 CD GLU A 193 17.618 -32.592 25.676 1.00 55.30 C ATOM 1836 OE1 GLU A 193 17.614 -32.819 26.908 1.00 57.31 O ATOM 1837 OE2 GLU A 193 16.580 -32.591 24.975 1.00 49.01 O ATOM 1838 H GLU A 193 21.324 -33.549 23.404 1.00 0.00 H ATOM 1839 N HIS A 194 23.224 -33.471 26.318 1.00 41.90 N ATOM 1840 CA HIS A 194 24.304 -33.652 27.286 1.00 42.22 C ATOM 1841 C HIS A 194 25.503 -32.744 27.017 1.00 44.29 C ATOM 1842 O HIS A 194 26.014 -32.139 27.960 1.00 45.59 O ATOM 1843 CB HIS A 194 24.729 -35.141 27.375 1.00 43.56 C ATOM 1844 CG HIS A 194 26.050 -35.387 28.050 1.00 47.08 C ATOM 1845 ND1 HIS A 194 27.213 -35.557 27.316 1.00 48.99 N ATOM 1846 CD2 HIS A 194 26.350 -35.479 29.369 1.00 48.83 C ATOM 1847 CE1 HIS A 194 28.177 -35.757 28.205 1.00 48.35 C ATOM 1848 NE2 HIS A 194 27.706 -35.705 29.455 1.00 48.63 N ATOM 1849 H HIS A 194 22.972 -34.270 25.702 1.00 0.00 H ATOM 1850 N ALA A 195 25.973 -32.678 25.752 1.00 37.76 N ATOM 1851 CA ALA A 195 27.153 -31.903 25.362 1.00 35.74 C ATOM 1852 C ALA A 195 26.953 -30.357 25.352 1.00 38.58 C ATOM 1853 O ALA A 195 27.938 -29.617 25.438 1.00 38.43 O ATOM 1854 CB ALA A 195 27.672 -32.390 24.016 1.00 35.97 C ATOM 1855 H ALA A 195 25.468 -33.208 25.013 1.00 0.00 H ATOM 1856 N THR A 196 25.700 -29.890 25.255 1.00 34.76 N ATOM 1857 CA THR A 196 25.356 -28.456 25.228 1.00 34.78 C ATOM 1858 C THR A 196 24.679 -28.028 26.557 1.00 39.61 C ATOM 1859 O THR A 196 24.021 -26.980 26.590 1.00 39.60 O ATOM 1860 CB THR A 196 24.408 -28.158 24.049 1.00 33.13 C ATOM 1861 OG1 THR A 196 23.236 -28.935 24.214 1.00 31.81 O ATOM 1862 CG2 THR A 196 25.033 -28.404 22.682 1.00 32.43 C ATOM 1863 HG1 THR A 196 23.477 -29.895 24.223 1.00 0.00 H ATOM 1864 H THR A 196 24.924 -30.580 25.195 1.00 0.00 H ATOM 1865 N ALA A 197 24.799 -28.872 27.632 1.00 36.61 N ATOM 1866 CA ALA A 197 24.148 -28.691 28.956 1.00 36.82 C ATOM 1867 C ALA A 197 24.178 -27.287 29.505 1.00 38.04 C ATOM 1868 O ALA A 197 25.185 -26.598 29.362 1.00 35.95 O ATOM 1869 CB ALA A 197 24.737 -29.650 29.986 1.00 37.82 C ATOM 1870 H ALA A 197 25.399 -29.713 27.510 1.00 0.00 H ATOM 1871 N PHE A 198 23.080 -26.878 30.171 1.00 36.95 N ATOM 1872 CA PHE A 198 22.923 -25.567 30.814 1.00 38.04 C ATOM 1873 C PHE A 198 24.068 -25.268 31.793 1.00 44.90 C ATOM 1874 O PHE A 198 24.516 -24.126 31.899 1.00 44.02 O ATOM 1875 CB PHE A 198 21.567 -25.482 31.536 1.00 39.99 C ATOM 1876 CG PHE A 198 21.256 -24.138 32.158 1.00 41.33 C ATOM 1877 CD1 PHE A 198 21.256 -23.976 33.538 1.00 44.43 C ATOM 1878 CD2 PHE A 198 20.958 -23.037 31.364 1.00 42.52 C ATOM 1879 CE1 PHE A 198 20.967 -22.735 34.111 1.00 45.46 C ATOM 1880 CE2 PHE A 198 20.664 -21.799 31.937 1.00 45.36 C ATOM 1881 CZ PHE A 198 20.676 -21.653 33.304 1.00 43.44 C ATOM 1882 H PHE A 198 22.282 -27.542 30.234 1.00 0.00 H ATOM 1883 N ASP A 199 24.553 -26.319 32.473 1.00 43.40 N ATOM 1884 CA ASP A 199 25.636 -26.256 33.447 1.00 43.23 C ATOM 1885 C ASP A 199 26.916 -26.968 32.978 1.00 44.49 C ATOM 1886 O ASP A 199 27.750 -27.327 33.812 1.00 45.46 O ATOM 1887 CB ASP A 199 25.143 -26.780 34.819 1.00 46.05 C ATOM 1888 CG ASP A 199 24.590 -28.203 34.859 1.00 60.71 C ATOM 1889 OD1 ASP A 199 24.276 -28.765 33.768 1.00 62.16 O ATOM 1890 OD2 ASP A 199 24.461 -28.753 35.972 1.00 67.48 O ATOM 1891 H ASP A 199 24.124 -27.249 32.291 1.00 0.00 H ATOM 1892 N LYS A 200 27.110 -27.086 31.648 1.00 39.78 N ATOM 1893 CA LYS A 200 28.250 -27.762 31.006 1.00 39.47 C ATOM 1894 C LYS A 200 29.655 -27.217 31.341 1.00 45.94 C ATOM 1895 O LYS A 200 30.581 -28.029 31.470 1.00 47.58 O ATOM 1896 CB LYS A 200 28.064 -27.797 29.480 1.00 40.39 C ATOM 1897 CG LYS A 200 28.953 -28.802 28.750 1.00 47.39 C ATOM 1898 CD LYS A 200 28.554 -30.225 29.073 1.00 47.73 C ATOM 1899 CE LYS A 200 29.371 -31.237 28.344 1.00 47.62 C ATOM 1900 NZ LYS A 200 28.849 -32.595 28.608 1.00 37.77 N ATOM 1901 HZ1 LYS A 200 28.893 -32.790 29.629 1.00 0.00 H ATOM 1902 HZ2 LYS A 200 27.862 -32.655 28.285 1.00 0.00 H ATOM 1903 HZ3 LYS A 200 29.425 -33.292 28.095 1.00 0.00 H ATOM 1904 H LYS A 200 26.394 -26.664 31.023 1.00 0.00 H ATOM 1905 N MET A 201 29.847 -25.882 31.430 1.00 43.53 N ATOM 1906 CA MET A 201 31.173 -25.309 31.751 1.00 43.89 C ATOM 1907 C MET A 201 31.682 -25.677 33.162 1.00 47.72 C ATOM 1908 O MET A 201 32.900 -25.729 33.392 1.00 46.53 O ATOM 1909 CB MET A 201 31.238 -23.787 31.531 1.00 46.75 C ATOM 1910 CG MET A 201 31.103 -23.346 30.072 1.00 51.10 C ATOM 1911 SD MET A 201 31.836 -24.457 28.828 1.00 55.74 S ATOM 1912 CE MET A 201 33.534 -23.927 28.870 1.00 52.28 C ATOM 1913 H MET A 201 29.043 -25.242 31.269 1.00 0.00 H ATOM 1914 N LYS A 202 30.754 -25.963 34.082 1.00 45.07 N ATOM 1915 CA LYS A 202 31.078 -26.367 35.456 1.00 46.48 C ATOM 1916 C LYS A 202 31.469 -27.874 35.515 1.00 52.26 C ATOM 1917 O LYS A 202 31.979 -28.327 36.542 1.00 52.45 O ATOM 1918 CB LYS A 202 29.868 -26.123 36.390 1.00 49.80 C ATOM 1919 CG LYS A 202 29.394 -24.674 36.520 1.00 73.93 C ATOM 1920 CD LYS A 202 28.264 -24.575 37.555 1.00 88.28 C ATOM 1921 CE LYS A 202 27.871 -23.163 37.930 1.00102.18 C ATOM 1922 NZ LYS A 202 28.411 -22.745 39.253 1.00115.20 N ATOM 1923 HZ1 LYS A 202 28.049 -23.382 39.991 1.00 0.00 H ATOM 1924 HZ2 LYS A 202 29.450 -22.791 39.232 1.00 0.00 H ATOM 1925 HZ3 LYS A 202 28.110 -21.771 39.457 1.00 0.00 H ATOM 1926 H LYS A 202 29.752 -25.896 33.810 1.00 0.00 H ATOM 1927 N GLN A 203 31.205 -28.641 34.429 1.00 48.54 N ATOM 1928 CA GLN A 203 31.422 -30.092 34.383 1.00 48.18 C ATOM 1929 C GLN A 203 32.416 -30.568 33.320 1.00 50.93 C ATOM 1930 O GLN A 203 32.247 -31.685 32.806 1.00 51.02 O ATOM 1931 CB GLN A 203 30.080 -30.828 34.192 1.00 49.32 C ATOM 1932 CG GLN A 203 28.917 -30.312 35.031 1.00 65.56 C ATOM 1933 CD GLN A 203 27.589 -30.535 34.353 1.00 87.58 C ATOM 1934 OE1 GLN A 203 27.461 -30.487 33.119 1.00 83.61 O ATOM 1935 NE2 GLN A 203 26.556 -30.748 35.152 1.00 81.28 N ATOM 1936 HE22 GLN A 203 26.694 -30.783 36.182 1.00 0.00 H ATOM 1937 HE21 GLN A 203 25.606 -30.880 34.750 1.00 0.00 H ATOM 1938 H GLN A 203 30.827 -28.175 33.580 1.00 0.00 H ATOM 1939 N LEU A 204 33.449 -29.758 32.992 1.00 45.12 N ATOM 1940 CA LEU A 204 34.438 -30.137 31.967 1.00 43.82 C ATOM 1941 C LEU A 204 35.417 -31.230 32.451 1.00 56.72 C ATOM 1942 O LEU A 204 35.906 -32.012 31.600 1.00 51.67 O ATOM 1943 CB LEU A 204 35.219 -28.923 31.426 1.00 43.65 C ATOM 1944 CG LEU A 204 34.460 -27.819 30.678 1.00 47.31 C ATOM 1945 CD1 LEU A 204 35.338 -26.601 30.531 1.00 46.60 C ATOM 1946 CD2 LEU A 204 34.001 -28.289 29.283 1.00 48.98 C ATOM 1947 OXT LEU A 204 35.687 -31.304 33.674 1.00 77.26 O ATOM 1948 H LEU A 204 33.548 -28.843 33.476 1.00 0.00 H TER 1949 LEU A 204 HETATM 1950 O HOH 1 9.874 -13.663 26.194 1.00 61.57 O HETATM 1951 O HOH 2 27.937 5.684 -3.318 1.00 39.56 O HETATM 1952 O HOH 3 34.594 -27.577 34.364 1.00 36.75 O HETATM 1953 O HOH 4 32.623 -2.083 16.390 1.00 28.47 O HETATM 1954 O HOH 5 29.452 -0.112 -3.491 1.00 38.90 O HETATM 1955 O HOH 6 22.380 1.850 3.187 1.00 71.36 O HETATM 1956 O HOH 7 31.511 -10.437 -4.346 1.00 36.88 O HETATM 1957 O HOH 8 9.734 -17.562 27.445 1.00 41.59 O HETATM 1958 O HOH 9 27.129 -9.581 35.183 1.00 47.65 O HETATM 1959 O HOH 10 7.055 -32.337 14.313 1.00 47.19 O HETATM 1960 O HOH 11 9.544 -9.349 24.032 1.00 36.75 O HETATM 1961 O HOH 12 18.258 -22.820 36.774 1.00 41.92 O HETATM 1962 O HOH 13 34.429 -30.221 36.112 1.00 38.65 O HETATM 1963 O HOH 14 12.226 -8.524 24.924 1.00 37.01 O HETATM 1964 O HOH 15 19.504 -39.725 21.255 1.00 35.05 O HETATM 1965 O HOH 16 29.851 -20.623 28.369 1.00 41.01 O HETATM 1966 O HOH 17 13.140 -31.132 8.455 1.00 53.82 O HETATM 1967 O HOH 18 7.355 -10.606 22.497 1.00 63.66 O HETATM 1968 O HOH 19 27.835 -8.668 -6.149 1.00 34.88 O HETATM 1969 O HOH 20 34.343 -6.384 32.842 1.00 51.64 O HETATM 1970 O HOH 21 26.485 -19.266 37.746 1.00 50.31 O HETATM 1971 O HOH 22 13.603 -38.908 19.293 1.00 36.44 O HETATM 1972 O HOH 23 35.941 -21.168 7.648 1.00 39.93 O HETATM 1973 O HOH 24 28.547 -10.374 31.685 1.00 46.94 O HETATM 1974 O HOH 25 17.058 -1.126 -1.325 1.00 40.99 O HETATM 1975 O HOH 26 3.128 -14.114 12.014 1.00 44.60 O HETATM 1976 O HOH 27 32.175 0.891 -3.738 1.00 44.08 O HETATM 1977 O HOH 28 3.777 -13.088 15.674 1.00 47.87 O HETATM 1978 O HOH 29 15.909 -11.288 -1.474 1.00 43.36 O HETATM 1979 O HOH 30 20.552 -23.950 37.677 1.00 40.23 O HETATM 1980 O HOH 31 16.928 -30.105 31.861 1.00 38.81 O HETATM 1981 O HOH 32 29.486 -0.734 23.578 1.00 45.30 O HETATM 1982 O HOH 33 20.392 -21.108 28.647 1.00 24.75 O HETATM 1983 O HOH 34 20.915 -12.628 22.405 1.00 20.67 O HETATM 1984 O HOH 35 28.011 -6.078 26.795 1.00 24.28 O HETATM 1985 O HOH 36 12.321 -29.468 26.548 1.00 32.19 O HETATM 1986 O HOH 37 28.055 -3.131 20.306 1.00 24.26 O HETATM 1987 O HOH 38 23.651 -12.113 0.134 1.00 42.93 O HETATM 1988 O HOH 39 14.003 -7.453 14.921 1.00 25.36 O HETATM 1989 O HOH 40 20.741 -30.832 28.780 1.00 25.49 O HETATM 1990 O HOH 41 35.786 -9.463 10.223 1.00 31.02 O HETATM 1991 O HOH 42 31.628 -4.640 14.104 1.00 29.91 O HETATM 1992 O HOH 43 41.120 -7.940 22.639 1.00 42.55 O HETATM 1993 O HOH 44 26.480 -38.593 13.181 1.00 51.52 O HETATM 1994 O HOH 45 33.462 -5.921 15.890 1.00 27.46 O HETATM 1995 O HOH 46 25.808 -31.861 7.955 1.00 49.83 O HETATM 1996 O HOH 47 37.653 -11.908 12.679 1.00 35.01 O HETATM 1997 O HOH 48 28.074 -3.633 27.969 1.00 34.22 O HETATM 1998 O HOH 49 13.309 -5.055 12.956 1.00 42.76 O HETATM 1999 O HOH 50 30.683 -22.796 3.491 1.00 45.61 O HETATM 2000 O HOH 51 23.479 -10.083 19.110 1.00 28.65 O HETATM 2001 O HOH 52 41.159 -9.296 17.050 1.00 31.94 O HETATM 2002 O HOH 53 28.886 -25.377 6.766 1.00 34.95 O HETATM 2003 O HOH 54 9.533 -24.225 9.799 1.00 45.50 O HETATM 2004 O HOH 55 23.281 -4.749 30.173 1.00 43.56 O HETATM 2005 O HOH 56 28.588 -14.303 -0.159 1.00 41.06 O HETATM 2006 O HOH 57 14.018 -16.124 36.437 1.00 39.16 O HETATM 2007 O HOH 58 33.608 -7.193 18.315 1.00 32.90 O HETATM 2008 O HOH 59 31.924 -32.327 30.180 1.00 49.43 O HETATM 2009 O HOH 60 26.691 -26.139 5.385 1.00 44.60 O HETATM 2010 O HOH 61 21.638 -35.905 27.491 1.00 32.06 O HETATM 2011 O HOH 62 25.434 -5.761 25.600 1.00 50.95 O HETATM 2012 O HOH 63 35.075 -34.696 32.882 1.00 51.32 O HETATM 2013 O HOH 64 24.955 -5.555 22.402 1.00 31.38 O HETATM 2014 O HOH 65 20.040 -4.370 28.087 1.00 41.57 O HETATM 2015 O HOH 66 10.545 -24.355 7.099 1.00 46.03 O HETATM 2016 O HOH 67 20.335 1.162 5.993 1.00 46.41 O HETATM 2017 O HOH 68 30.399 -34.073 14.387 1.00 40.20 O HETATM 2018 O HOH 69 28.579 -30.234 7.063 1.00 45.48 O HETATM 2019 O HOH 70 31.569 -17.063 2.259 1.00 48.12 O HETATM 2020 O HOH 71 33.661 -26.378 22.536 1.00 54.68 O HETATM 2021 O HOH 72 39.341 -14.612 18.091 1.00 39.43 O HETATM 2022 O HOH 73 29.110 -7.983 29.667 1.00 30.88 O HETATM 2023 O HOH 74 22.225 -16.050 35.683 1.00 38.01 O HETATM 2024 O HOH 75 41.710 -17.273 17.115 1.00 48.47 O HETATM 2025 O HOH 76 31.070 -18.987 25.144 1.00 50.11 O HETATM 2026 O HOH 77 35.011 -12.068 9.634 1.00 35.84 O HETATM 2027 O HOH 78 27.922 -2.268 17.281 1.00 36.42 O HETATM 2028 O HOH 79 38.474 -11.137 15.213 1.00 41.17 O HETATM 2029 O HOH 80 39.215 1.179 -0.215 1.00 68.38 O HETATM 2030 O HOH 81 6.751 -6.969 17.664 1.00 47.20 O HETATM 2031 O HOH 82 8.037 -25.103 19.648 1.00 44.82 O HETATM 2032 O HOH 83 7.549 -23.598 17.420 1.00 54.72 O HETATM 2033 O HOH 84 30.029 -2.582 26.200 1.00 47.41 O HETATM 2034 O HOH 85 15.657 -34.016 28.791 1.00 37.65 O HETATM 2035 O HOH 86 10.927 -11.405 25.196 1.00 30.86 O HETATM 2036 O HOH 87 14.937 -3.511 21.179 1.00 34.02 O HETATM 2037 O HOH 88 14.454 -1.516 9.558 1.00 31.42 O HETATM 2038 O HOH 89 19.093 4.021 7.154 1.00 51.61 O HETATM 2039 O HOH 90 19.093 1.473 18.373 1.00 31.30 O HETATM 2040 O HOH 91 25.624 -2.718 21.327 1.00 34.31 O HETATM 2041 O HOH 92 13.761 -6.436 18.194 1.00 37.97 O HETATM 2042 C12 UNN A 93 34.350 -27.179 15.486 1.00 0.19 C HETATM 2043 C13 UNN A 93 35.602 -27.042 14.642 1.00 0.07 C HETATM 2044 C15 UNN A 93 35.546 -25.649 13.994 1.00 -0.02 C HETATM 2045 C16 UNN A 93 36.243 -24.559 14.561 1.00 -0.04 C HETATM 2046 C17 UNN A 93 36.138 -23.265 14.005 1.00 0.03 C HETATM 2047 C18 UNN A 93 35.309 -23.047 12.893 1.00 -0.04 C HETATM 2048 C19 UNN A 93 34.601 -24.125 12.333 1.00 0.03 C HETATM 2049 C20 UNN A 93 34.718 -25.416 12.877 1.00 -0.04 C HETATM 2050 H UNN A 93 34.168 -26.238 12.434 1.00 0.06 H HETATM 2051 CL1 UNN A 93 33.574 -23.864 10.947 1.00 -0.07 CL HETATM 2052 H UNN A 93 35.215 -22.054 12.469 1.00 0.06 H HETATM 2053 CL2 UNN A 93 37.017 -21.922 14.717 1.00 -0.07 CL HETATM 2054 H UNN A 93 36.866 -24.718 15.434 1.00 0.06 H HETATM 2055 H UNN A 93 35.623 -27.821 13.866 1.00 0.07 H HETATM 2056 H UNN A 93 36.498 -27.130 15.275 1.00 0.07 H HETATM 2057 O14 UNN A 93 33.332 -27.599 14.940 1.00 -0.39 O HETATM 2058 N9 UNN A 93 34.441 -26.776 16.792 1.00 -0.26 N HETATM 2059 C8 UNN A 93 33.333 -26.781 17.774 1.00 0.16 C HETATM 2060 C6 UNN A 93 33.187 -25.428 18.488 1.00 0.21 C HETATM 2061 O7 UNN A 93 33.860 -24.471 18.116 1.00 -0.39 O HETATM 2062 N5 UNN A 93 32.323 -25.355 19.546 1.00 -0.27 N HETATM 2063 C4 UNN A 93 32.081 -24.174 20.372 1.00 0.12 C HETATM 2064 C2 UNN A 93 30.886 -24.365 21.285 1.00 0.20 C HETATM 2065 O3 UNN A 93 29.956 -25.063 20.892 1.00 -0.39 O HETATM 2066 N1 UNN A 93 30.910 -23.727 22.489 1.00 -0.27 N HETATM 2067 C23 UNN A 93 29.815 -23.783 23.465 1.00 0.09 C HETATM 2068 C24 UNN A 93 28.774 -22.770 23.198 1.00 0.02 C HETATM 2069 N25 UNN A 93 28.401 -22.124 24.156 1.00 -0.36 N HETATM 2070 H UNN A 93 27.692 -21.416 24.042 1.00 0.11 H HETATM 2071 H UNN A 93 28.365 -22.612 22.201 1.00 0.12 H HETATM 2072 H UNN A 93 29.356 -24.782 23.424 1.00 0.08 H HETATM 2073 H UNN A 93 30.228 -23.610 24.470 1.00 0.08 H HETATM 2074 H UNN A 93 31.721 -23.189 22.721 1.00 0.19 H HETATM 2075 H UNN A 93 31.894 -23.312 19.715 1.00 0.08 H HETATM 2076 H UNN A 93 32.972 -23.980 20.987 1.00 0.08 H HETATM 2077 H UNN A 93 31.811 -26.183 19.774 1.00 0.19 H HETATM 2078 C10 UNN A 93 33.494 -27.909 18.853 1.00 0.09 C HETATM 2079 O26 UNN A 93 34.602 -27.604 19.721 1.00 -0.39 O HETATM 2080 H UNN A 93 34.443 -26.774 20.156 1.00 0.21 H HETATM 2081 C11 UNN A 93 33.580 -29.363 18.304 1.00 -0.03 C HETATM 2082 H UNN A 93 33.691 -30.066 19.143 1.00 0.03 H HETATM 2083 H UNN A 93 34.448 -29.451 17.635 1.00 0.03 H HETATM 2084 H UNN A 93 32.662 -29.599 17.747 1.00 0.03 H HETATM 2085 H UNN A 93 32.584 -27.875 19.470 1.00 0.06 H HETATM 2086 H UNN A 93 32.404 -26.974 17.218 1.00 0.08 H HETATM 2087 H UNN A 93 35.332 -26.451 17.109 1.00 0.19 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 2042 2043 2057 2058 CONECT 2043 2042 2044 2055 2056 CONECT 2044 2043 2045 2049 CONECT 2045 2044 2046 2054 CONECT 2046 2045 2047 2053 CONECT 2047 2046 2048 2052 CONECT 2048 2047 2049 2051 CONECT 2049 2044 2048 2050 CONECT 2050 2049 CONECT 2051 2048 CONECT 2052 2047 CONECT 2053 2046 CONECT 2054 2045 CONECT 2055 2043 CONECT 2056 2043 CONECT 2057 2042 CONECT 2058 2042 2059 2087 CONECT 2059 2058 2060 2078 2086 CONECT 2060 2059 2061 2062 CONECT 2061 2060 CONECT 2062 2060 2063 2077 CONECT 2063 2062 2064 2075 2076 CONECT 2064 2063 2065 2066 CONECT 2065 2064 CONECT 2066 2064 2067 2074 CONECT 2067 2066 2068 2072 2073 CONECT 2068 2067 2069 2071 CONECT 2069 2068 2070 CONECT 2070 2069 CONECT 2071 2068 CONECT 2072 2067 CONECT 2073 2067 CONECT 2074 2066 CONECT 2075 2063 CONECT 2076 2063 CONECT 2077 2062 CONECT 2078 2059 2079 2081 2085 CONECT 2079 2078 2080 CONECT 2080 2079 CONECT 2081 2078 2082 2083 2084 CONECT 2082 2081 CONECT 2083 2081 CONECT 2084 2081 CONECT 2085 2078 CONECT 2086 2059 CONECT 2087 2058 MASTER 0 0 0 0 0 0 0 0 2086 1 50 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4piq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4pis
RCSB PDB
PDBbind
11aa, >4PIS_2|Chain... at 100%
4wx6
RCSB PDB
PDBbind
11aa, >4WX6_2|Chains... at 100%
4wx7
RCSB PDB
PDBbind
11aa, >4WX7_2|Chains... 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
4piq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protease AVP8
Ligand Name
3FS
EC.Number
E.C.-.-.-.-
Resolution
2.07(Å)
Affinity (Kd/Ki/IC50)
IC50=0.08uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acs Med.Chem.Lett. Vol. 5: pp. 937-941
Ligand Properties
Formula
C
1
6
H
2
0
Cl
2
N
4
O
4
Molecular Weight
403.260
Exact Mass
402.086
No. of atoms
46
No. of bonds
46
Polar Surface Area
131.38
LOGP Value
0.49 (
Computed with XLOGP3
)
1.56 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 1
Canonical SMILES
N=CCNC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)Cc1cc(Cl)cc(c1)Cl
InChI String
InChI=1S/C16H20Cl2N4O4/c1-9(23)15(16(26)21-8-14(25)20-3-2-19)22-13(24)6-10-4-11(17)7-12(18)5-10/h2,4-5,7,9,15,19,23H,3,6,8H2,1H3,(H,20,25)(H,21,26)(H,22,24)/b19-2+/t9-,15+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
B9A5B9
B9A5C1
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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