Browse entries in the PDBbind-CN Database
HEADER 4YYI_COMPLEX COMPND 4YYI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 100 THR PRO ILE GLN GLN LEU LEU GLU HIS PHE LEU ARG GLN SEQRES 2 A 100 LEU GLN ARG LYS ASP PRO HIS GLY PHE PHE ALA PHE PRO SEQRES 3 A 100 VAL THR ASP ALA ILE ALA PRO GLY TYR SER MET ILE ILE SEQRES 4 A 100 LYS HIS PRO MET ASP PHE GLY THR MET LYS ASP LYS ILE SEQRES 5 A 100 VAL ALA ASN GLU TYR LYS SER VAL THR GLU PHE LYS ALA SEQRES 6 A 100 ASP PHE LYS LEU MET CYS ASP ASN ALA MET THR TYR ASN SEQRES 7 A 100 ARG PRO ASP THR VAL TYR TYR LYS LEU ALA LYS LYS ILE SEQRES 8 A 100 LEU HIS ALA GLY PHE LYS MET MET SER SEQRES 1 B 100 THR PRO ILE GLN GLN LEU LEU GLU HIS PHE LEU ARG GLN SEQRES 2 B 100 LEU GLN ARG LYS ASP PRO HIS GLY PHE PHE ALA PHE PRO SEQRES 3 B 100 VAL THR ASP ALA ILE ALA PRO GLY TYR SER MET ILE ILE SEQRES 4 B 100 LYS HIS PRO MET ASP PHE GLY THR MET LYS ASP LYS ILE SEQRES 5 B 100 VAL ALA ASN GLU TYR LYS SER VAL THR GLU PHE LYS ALA SEQRES 6 B 100 ASP PHE LYS LEU MET CYS ASP ASN ALA MET THR TYR ASN SEQRES 7 B 100 ARG PRO ASP THR VAL TYR TYR LYS LEU ALA LYS LYS ILE SEQRES 8 B 100 LEU HIS ALA GLY PHE LYS MET MET SER HET GLY A 343 83 ATOM 1 N THR A 23 52.060 -47.363 16.134 1.00 36.20 N ATOM 2 CA THR A 23 53.438 -47.587 16.634 1.00 37.93 C ATOM 3 C THR A 23 54.070 -46.350 17.235 1.00 38.07 C ATOM 4 O THR A 23 53.502 -45.201 17.180 1.00 40.03 O ATOM 5 CB THR A 23 54.417 -48.080 15.523 1.00 37.74 C ATOM 6 OG1 THR A 23 54.375 -47.185 14.391 1.00 39.74 O ATOM 7 CG2 THR A 23 54.103 -49.511 15.078 1.00 40.77 C ATOM 8 HG1 THR A 23 53.455 -47.159 14.026 1.00 0.00 H ATOM 9 HN3 THR A 23 52.075 -46.630 15.396 1.00 0.00 H ATOM 10 HN2 THR A 23 51.453 -47.053 16.920 1.00 0.00 H ATOM 11 HN1 THR A 23 51.688 -48.249 15.737 1.00 0.00 H ATOM 12 N PRO A 24 55.270 -46.554 17.823 1.00 34.86 N ATOM 13 CA PRO A 24 56.019 -45.383 18.229 1.00 33.80 C ATOM 14 C PRO A 24 56.608 -44.623 17.084 1.00 30.60 C ATOM 15 O PRO A 24 56.619 -43.370 17.118 1.00 29.28 O ATOM 16 CB PRO A 24 57.087 -45.959 19.133 1.00 32.05 C ATOM 17 CG PRO A 24 56.384 -47.163 19.760 1.00 34.27 C ATOM 18 CD PRO A 24 55.701 -47.775 18.552 1.00 34.77 C ATOM 19 N ILE A 25 56.997 -45.264 15.980 1.00 27.87 N ATOM 20 CA ILE A 25 57.447 -44.352 14.949 1.00 25.47 C ATOM 21 C ILE A 25 56.262 -43.499 14.598 1.00 22.42 C ATOM 22 O ILE A 25 56.475 -42.312 14.165 1.00 20.36 O ATOM 23 CB ILE A 25 58.097 -45.031 13.759 1.00 25.77 C ATOM 24 CG1 ILE A 25 58.749 -43.992 12.844 1.00 29.15 C ATOM 25 CG2 ILE A 25 57.076 -45.953 13.022 1.00 31.45 C ATOM 26 CD1 ILE A 25 59.970 -44.490 12.101 1.00 36.11 C ATOM 27 H ILE A 25 56.979 -46.298 15.873 1.00 0.00 H ATOM 28 N GLN A 26 55.029 -43.987 14.643 1.00 23.54 N ATOM 29 CA GLN A 26 53.891 -43.176 14.240 1.00 25.05 C ATOM 30 C GLN A 26 53.738 -41.904 15.115 1.00 25.93 C ATOM 31 O GLN A 26 53.562 -40.816 14.565 1.00 27.07 O ATOM 32 CB GLN A 26 52.599 -44.009 14.149 1.00 27.21 C ATOM 33 CG GLN A 26 52.629 -44.907 12.909 1.00 29.81 C ATOM 34 CD GLN A 26 51.519 -45.962 12.817 1.00 33.47 C ATOM 35 OE1 GLN A 26 51.537 -46.933 13.608 1.00 40.57 O ATOM 36 NE2 GLN A 26 50.626 -45.855 11.852 1.00 33.40 N ATOM 37 HE22 GLN A 26 50.644 -45.033 11.215 1.00 0.00 H ATOM 38 HE21 GLN A 26 49.904 -46.593 11.728 1.00 0.00 H ATOM 39 H GLN A 26 54.874 -44.962 14.971 1.00 0.00 H ATOM 40 N GLN A 27 53.886 -42.044 16.444 1.00 24.72 N ATOM 41 CA GLN A 27 53.908 -40.894 17.351 1.00 24.17 C ATOM 42 C GLN A 27 54.939 -39.855 16.902 1.00 26.33 C ATOM 43 O GLN A 27 54.663 -38.668 16.840 1.00 26.63 O ATOM 44 CB GLN A 27 54.122 -41.295 18.836 1.00 28.54 C ATOM 45 CG GLN A 27 53.138 -42.309 19.247 1.00 34.97 C ATOM 46 CD GLN A 27 53.353 -42.636 20.726 1.00 38.65 C ATOM 47 OE1 GLN A 27 53.705 -41.744 21.545 1.00 40.45 O ATOM 48 NE2 GLN A 27 53.180 -43.936 21.090 1.00 45.98 N ATOM 49 HE22 GLN A 27 52.889 -44.640 20.382 1.00 0.00 H ATOM 50 HE21 GLN A 27 53.339 -44.225 22.076 1.00 0.00 H ATOM 51 H GLN A 27 53.988 -43.000 16.841 1.00 0.00 H ATOM 52 N LEU A 28 56.143 -40.301 16.625 1.00 23.94 N ATOM 53 CA LEU A 28 57.220 -39.419 16.265 1.00 23.93 C ATOM 54 C LEU A 28 56.875 -38.677 15.018 1.00 21.53 C ATOM 55 O LEU A 28 56.957 -37.428 14.937 1.00 20.01 O ATOM 56 CB LEU A 28 58.549 -40.130 16.011 1.00 22.98 C ATOM 57 CG LEU A 28 59.708 -39.238 15.639 1.00 22.50 C ATOM 58 CD1 LEU A 28 59.978 -38.242 16.836 1.00 22.37 C ATOM 59 CD2 LEU A 28 60.905 -40.164 15.322 1.00 21.37 C ATOM 60 H LEU A 28 56.323 -41.324 16.667 1.00 0.00 H ATOM 61 N LEU A 29 56.468 -39.444 14.008 1.00 19.95 N ATOM 62 CA LEU A 29 56.195 -38.791 12.708 1.00 20.24 C ATOM 63 C LEU A 29 54.987 -37.909 12.779 1.00 21.60 C ATOM 64 O LEU A 29 54.963 -36.783 12.161 1.00 20.68 O ATOM 65 CB LEU A 29 55.981 -39.862 11.638 1.00 19.81 C ATOM 66 CG LEU A 29 57.271 -40.633 11.394 1.00 19.53 C ATOM 67 CD1 LEU A 29 57.160 -41.790 10.298 1.00 18.93 C ATOM 68 CD2 LEU A 29 58.582 -39.869 11.200 1.00 21.61 C ATOM 69 H LEU A 29 56.346 -40.470 14.129 1.00 0.00 H ATOM 70 N GLU A 30 53.969 -38.322 13.524 1.00 23.19 N ATOM 71 CA GLU A 30 52.810 -37.383 13.673 1.00 24.71 C ATOM 72 C GLU A 30 53.140 -36.048 14.279 1.00 24.48 C ATOM 73 O GLU A 30 52.558 -34.974 13.860 1.00 21.61 O ATOM 74 CB GLU A 30 51.663 -38.032 14.480 1.00 30.14 C ATOM 75 CG GLU A 30 51.225 -39.378 13.986 1.00 38.77 C ATOM 76 CD GLU A 30 49.852 -39.398 13.336 1.00 53.77 C ATOM 77 OE1 GLU A 30 49.501 -38.421 12.604 1.00 56.71 O ATOM 78 OE2 GLU A 30 49.144 -40.414 13.559 1.00 51.96 O ATOM 79 H GLU A 30 53.975 -39.255 13.984 1.00 0.00 H ATOM 80 N HIS A 31 54.106 -36.037 15.234 1.00 21.11 N ATOM 81 CA HIS A 31 54.520 -34.791 15.813 1.00 19.78 C ATOM 82 C HIS A 31 55.302 -33.971 14.746 1.00 19.25 C ATOM 83 O HIS A 31 55.045 -32.799 14.662 1.00 22.72 O ATOM 84 CB HIS A 31 55.415 -34.994 17.039 1.00 22.48 C ATOM 85 CG HIS A 31 55.799 -33.721 17.704 1.00 26.15 C ATOM 86 ND1 HIS A 31 54.877 -32.824 18.202 1.00 34.75 N ATOM 87 CD2 HIS A 31 57.011 -33.150 17.885 1.00 28.47 C ATOM 88 CE1 HIS A 31 55.503 -31.788 18.731 1.00 30.86 C ATOM 89 NE2 HIS A 31 56.797 -31.942 18.532 1.00 28.43 N ATOM 90 H HIS A 31 54.544 -36.928 15.544 1.00 0.00 H ATOM 91 N PHE A 32 56.325 -34.517 14.130 1.00 19.72 N ATOM 92 CA PHE A 32 57.064 -33.800 13.091 1.00 21.72 C ATOM 93 C PHE A 32 56.065 -33.260 12.058 1.00 20.89 C ATOM 94 O PHE A 32 56.109 -32.014 11.655 1.00 17.82 O ATOM 95 CB PHE A 32 58.005 -34.757 12.409 1.00 20.22 C ATOM 96 CG PHE A 32 59.269 -35.003 13.155 1.00 21.36 C ATOM 97 CD1 PHE A 32 59.660 -34.217 14.294 1.00 21.36 C ATOM 98 CD2 PHE A 32 60.080 -36.065 12.745 1.00 24.85 C ATOM 99 CE1 PHE A 32 60.868 -34.513 15.004 1.00 23.04 C ATOM 100 CE2 PHE A 32 61.237 -36.347 13.445 1.00 22.73 C ATOM 101 CZ PHE A 32 61.641 -35.601 14.566 1.00 23.50 C ATOM 102 H PHE A 32 56.617 -35.482 14.387 1.00 0.00 H ATOM 103 N LEU A 33 55.065 -34.067 11.679 1.00 19.74 N ATOM 104 CA LEU A 33 54.112 -33.564 10.682 1.00 18.65 C ATOM 105 C LEU A 33 53.326 -32.314 11.164 1.00 20.12 C ATOM 106 O LEU A 33 53.144 -31.221 10.493 1.00 22.23 O ATOM 107 CB LEU A 33 53.294 -34.634 9.986 1.00 24.13 C ATOM 108 CG LEU A 33 52.310 -34.178 8.884 1.00 21.81 C ATOM 109 CD1 LEU A 33 53.014 -33.697 7.631 1.00 21.47 C ATOM 110 CD2 LEU A 33 51.484 -35.394 8.433 1.00 25.54 C ATOM 111 H LEU A 33 54.967 -35.022 12.079 1.00 0.00 H ATOM 112 N ARG A 34 52.872 -32.351 12.386 1.00 22.02 N ATOM 113 CA ARG A 34 52.045 -31.273 12.816 1.00 24.28 C ATOM 114 C ARG A 34 52.910 -29.999 12.912 1.00 24.98 C ATOM 115 O ARG A 34 52.436 -28.905 12.626 1.00 24.29 O ATOM 116 CB ARG A 34 51.449 -31.616 14.233 1.00 24.26 C ATOM 117 CG ARG A 34 50.048 -32.106 14.284 1.00 28.83 C ATOM 118 CD ARG A 34 49.560 -32.364 15.736 1.00 31.04 C ATOM 119 NE ARG A 34 50.517 -32.942 16.694 1.00 38.43 N ATOM 120 CZ ARG A 34 50.694 -34.245 16.941 1.00 36.44 C ATOM 121 NH1 ARG A 34 50.016 -35.163 16.266 1.00 36.93 N ATOM 122 NH2 ARG A 34 51.581 -34.598 17.848 1.00 36.50 N ATOM 123 HE ARG A 34 51.110 -32.276 17.228 1.00 0.00 H ATOM 124 HH12 ARG A 34 50.164 -36.172 16.469 1.00 0.00 H ATOM 125 HH11 ARG A 34 49.336 -34.874 15.534 1.00 0.00 H ATOM 126 HH22 ARG A 34 51.737 -35.604 18.058 1.00 0.00 H ATOM 127 HH21 ARG A 34 52.125 -33.870 18.354 1.00 0.00 H ATOM 128 H ARG A 34 53.105 -33.139 13.024 1.00 0.00 H ATOM 129 N GLN A 35 54.164 -30.118 13.351 1.00 20.97 N ATOM 130 CA GLN A 35 55.118 -29.043 13.401 1.00 25.31 C ATOM 131 C GLN A 35 55.450 -28.463 12.029 1.00 22.00 C ATOM 132 O GLN A 35 55.527 -27.230 11.799 1.00 24.01 O ATOM 133 CB GLN A 35 56.362 -29.536 14.130 1.00 27.80 C ATOM 134 CG GLN A 35 56.113 -29.746 15.630 1.00 31.65 C ATOM 135 CD GLN A 35 56.482 -28.469 16.293 1.00 35.70 C ATOM 136 OE1 GLN A 35 55.683 -27.530 16.321 1.00 37.93 O ATOM 137 NE2 GLN A 35 57.780 -28.341 16.659 1.00 33.26 N ATOM 138 HE22 GLN A 35 58.415 -29.163 16.618 1.00 0.00 H ATOM 139 HE21 GLN A 35 58.141 -27.420 16.981 1.00 0.00 H ATOM 140 H GLN A 35 54.474 -31.055 13.680 1.00 0.00 H ATOM 141 N LEU A 36 55.615 -29.372 11.075 1.00 18.37 N ATOM 142 CA LEU A 36 55.844 -28.859 9.683 1.00 19.87 C ATOM 143 C LEU A 36 54.579 -28.163 9.145 1.00 19.59 C ATOM 144 O LEU A 36 54.621 -26.990 8.537 1.00 20.65 O ATOM 145 CB LEU A 36 56.189 -30.035 8.768 1.00 20.61 C ATOM 146 CG LEU A 36 57.506 -30.761 9.066 1.00 22.06 C ATOM 147 CD1 LEU A 36 57.644 -32.005 8.193 1.00 22.36 C ATOM 148 CD2 LEU A 36 58.750 -29.932 8.883 1.00 20.93 C ATOM 149 H LEU A 36 55.587 -30.391 11.282 1.00 0.00 H ATOM 150 N GLN A 37 53.425 -28.754 9.356 1.00 17.17 N ATOM 151 CA GLN A 37 52.215 -28.205 8.805 1.00 19.33 C ATOM 152 C GLN A 37 51.845 -26.822 9.448 1.00 19.10 C ATOM 153 O GLN A 37 51.287 -25.911 8.749 1.00 25.54 O ATOM 154 CB GLN A 37 51.019 -29.002 8.893 1.00 21.04 C ATOM 155 CG GLN A 37 51.028 -30.012 7.847 1.00 24.13 C ATOM 156 CD GLN A 37 49.613 -30.520 7.647 1.00 29.15 C ATOM 157 OE1 GLN A 37 49.309 -31.504 8.254 1.00 27.17 O ATOM 158 NE2 GLN A 37 48.811 -29.932 6.731 1.00 26.34 N ATOM 159 HE22 GLN A 37 49.130 -29.076 6.234 1.00 0.00 H ATOM 160 HE21 GLN A 37 47.875 -30.336 6.524 1.00 0.00 H ATOM 161 H GLN A 37 53.386 -29.624 9.925 1.00 0.00 H ATOM 162 N ARG A 38 52.232 -26.491 10.676 1.00 19.71 N ATOM 163 CA ARG A 38 52.002 -25.224 11.266 1.00 21.79 C ATOM 164 C ARG A 38 52.749 -24.125 10.512 1.00 23.68 C ATOM 165 O ARG A 38 52.396 -22.967 10.651 1.00 24.10 O ATOM 166 CB ARG A 38 52.508 -25.244 12.740 1.00 24.27 C ATOM 167 CG ARG A 38 51.610 -26.136 13.596 1.00 32.73 C ATOM 168 CD ARG A 38 52.050 -26.031 15.054 1.00 38.70 C ATOM 169 NE ARG A 38 52.592 -24.684 15.328 1.00 45.81 N ATOM 170 CZ ARG A 38 53.737 -24.394 15.962 1.00 48.32 C ATOM 171 NH1 ARG A 38 54.096 -23.120 16.124 1.00 51.41 N ATOM 172 NH2 ARG A 38 54.512 -25.348 16.470 1.00 46.81 N ATOM 173 HE ARG A 38 52.027 -23.877 14.994 1.00 0.00 H ATOM 174 HH12 ARG A 38 54.983 -22.888 16.615 1.00 0.00 H ATOM 175 HH11 ARG A 38 53.489 -22.358 15.759 1.00 0.00 H ATOM 176 HH22 ARG A 38 55.395 -25.096 16.957 1.00 0.00 H ATOM 177 HH21 ARG A 38 54.235 -26.346 16.380 1.00 0.00 H ATOM 178 H ARG A 38 52.735 -27.207 11.238 1.00 0.00 H ATOM 179 N LYS A 39 53.832 -24.517 9.828 1.00 22.81 N ATOM 180 CA LYS A 39 54.612 -23.530 8.982 1.00 21.05 C ATOM 181 C LYS A 39 53.894 -23.128 7.691 1.00 22.98 C ATOM 182 O LYS A 39 54.360 -22.240 6.930 1.00 27.91 O ATOM 183 CB LYS A 39 56.020 -23.981 8.627 1.00 24.46 C ATOM 184 CG LYS A 39 56.808 -24.303 9.873 1.00 25.85 C ATOM 185 CD LYS A 39 58.019 -25.048 9.480 1.00 29.14 C ATOM 186 CE LYS A 39 58.746 -25.349 10.781 1.00 31.23 C ATOM 187 NZ LYS A 39 59.603 -24.207 11.195 1.00 33.23 N ATOM 188 HZ1 LYS A 39 60.310 -24.019 10.455 1.00 0.00 H ATOM 189 HZ2 LYS A 39 59.011 -23.363 11.333 1.00 0.00 H ATOM 190 HZ3 LYS A 39 60.086 -24.442 12.086 1.00 0.00 H ATOM 191 H LYS A 39 54.141 -25.509 9.878 1.00 0.00 H ATOM 192 N ASP A 40 52.758 -23.769 7.442 1.00 19.61 N ATOM 193 CA ASP A 40 51.975 -23.559 6.211 1.00 19.08 C ATOM 194 C ASP A 40 50.493 -23.161 6.533 1.00 19.63 C ATOM 195 O ASP A 40 49.523 -23.775 6.125 1.00 22.04 O ATOM 196 CB ASP A 40 52.133 -24.834 5.339 1.00 17.62 C ATOM 197 CG ASP A 40 51.271 -24.796 4.085 1.00 20.03 C ATOM 198 OD1 ASP A 40 51.066 -23.659 3.523 1.00 20.83 O ATOM 199 OD2 ASP A 40 50.780 -25.853 3.673 1.00 21.49 O ATOM 200 H ASP A 40 52.406 -24.449 8.146 1.00 0.00 H ATOM 201 N PRO A 41 50.338 -21.939 7.196 1.00 21.39 N ATOM 202 CA PRO A 41 48.964 -21.557 7.592 1.00 22.90 C ATOM 203 C PRO A 41 47.881 -21.477 6.522 1.00 21.19 C ATOM 204 O PRO A 41 46.719 -21.509 6.830 1.00 23.44 O ATOM 205 CB PRO A 41 49.157 -20.153 8.159 1.00 26.05 C ATOM 206 CG PRO A 41 50.505 -19.708 7.701 1.00 26.67 C ATOM 207 CD PRO A 41 51.349 -20.949 7.593 1.00 26.18 C ATOM 208 N HIS A 42 48.256 -21.190 5.247 1.00 21.97 N ATOM 209 CA HIS A 42 47.301 -21.184 4.112 1.00 22.37 C ATOM 210 C HIS A 42 47.043 -22.576 3.562 1.00 20.08 C ATOM 211 O HIS A 42 46.066 -22.710 2.838 1.00 22.51 O ATOM 212 CB HIS A 42 47.790 -20.282 2.950 1.00 22.78 C ATOM 213 CG HIS A 42 47.817 -18.829 3.262 1.00 24.81 C ATOM 214 ND1 HIS A 42 46.698 -18.045 3.202 1.00 28.63 N ATOM 215 CD2 HIS A 42 48.839 -18.029 3.637 1.00 23.52 C ATOM 216 CE1 HIS A 42 47.027 -16.784 3.479 1.00 26.45 C ATOM 217 NE2 HIS A 42 48.324 -16.755 3.759 1.00 24.86 N ATOM 218 H HIS A 42 49.254 -20.965 5.060 1.00 0.00 H ATOM 219 N GLY A 43 47.808 -23.540 4.003 1.00 20.71 N ATOM 220 CA GLY A 43 47.675 -24.938 3.457 1.00 19.28 C ATOM 221 C GLY A 43 47.944 -25.018 1.955 1.00 20.23 C ATOM 222 O GLY A 43 47.300 -25.800 1.233 1.00 20.59 O ATOM 223 H GLY A 43 48.516 -23.340 4.738 1.00 0.00 H ATOM 224 N PHE A 44 48.975 -24.319 1.529 1.00 21.08 N ATOM 225 CA PHE A 44 49.495 -24.533 0.181 1.00 17.65 C ATOM 226 C PHE A 44 49.913 -25.945 -0.135 1.00 19.52 C ATOM 227 O PHE A 44 49.746 -26.426 -1.279 1.00 21.79 O ATOM 228 CB PHE A 44 50.684 -23.661 -0.039 1.00 19.18 C ATOM 229 CG PHE A 44 50.284 -22.145 -0.026 1.00 20.26 C ATOM 230 CD1 PHE A 44 48.980 -21.697 -0.339 1.00 23.05 C ATOM 231 CD2 PHE A 44 51.189 -21.312 0.517 1.00 25.71 C ATOM 232 CE1 PHE A 44 48.684 -20.281 -0.264 1.00 24.89 C ATOM 233 CE2 PHE A 44 50.910 -19.919 0.622 1.00 30.27 C ATOM 234 CZ PHE A 44 49.661 -19.465 0.237 1.00 29.07 C ATOM 235 H PHE A 44 49.419 -23.615 2.152 1.00 0.00 H ATOM 236 N PHE A 45 50.328 -26.632 0.964 1.00 18.21 N ATOM 237 CA PHE A 45 50.901 -28.006 0.811 1.00 17.77 C ATOM 238 C PHE A 45 49.982 -28.972 1.440 1.00 17.25 C ATOM 239 O PHE A 45 50.391 -30.139 1.648 1.00 18.06 O ATOM 240 CB PHE A 45 52.258 -28.001 1.530 1.00 17.33 C ATOM 241 CG PHE A 45 53.322 -27.219 0.833 1.00 22.94 C ATOM 242 CD1 PHE A 45 53.919 -27.713 -0.313 1.00 23.60 C ATOM 243 CD2 PHE A 45 53.661 -25.956 1.296 1.00 24.36 C ATOM 244 CE1 PHE A 45 54.912 -26.951 -0.922 1.00 29.58 C ATOM 245 CE2 PHE A 45 54.626 -25.142 0.641 1.00 25.95 C ATOM 246 CZ PHE A 45 55.212 -25.643 -0.491 1.00 27.93 C ATOM 247 H PHE A 45 50.247 -26.203 1.908 1.00 0.00 H ATOM 248 N ALA A 46 48.729 -28.588 1.782 1.00 16.24 N ATOM 249 CA ALA A 46 47.843 -29.531 2.561 1.00 18.80 C ATOM 250 C ALA A 46 47.300 -30.646 1.668 1.00 19.17 C ATOM 251 O ALA A 46 47.095 -31.850 2.154 1.00 22.76 O ATOM 252 CB ALA A 46 46.672 -28.728 3.078 1.00 22.78 C ATOM 253 H ALA A 46 48.378 -27.648 1.509 1.00 0.00 H ATOM 254 N PHE A 47 47.094 -30.398 0.362 1.00 20.49 N ATOM 255 CA PHE A 47 46.364 -31.248 -0.535 1.00 20.73 C ATOM 256 C PHE A 47 47.073 -31.433 -1.875 1.00 21.76 C ATOM 257 O PHE A 47 47.903 -30.584 -2.267 1.00 20.19 O ATOM 258 CB PHE A 47 44.971 -30.665 -0.776 1.00 22.50 C ATOM 259 CG PHE A 47 44.145 -30.526 0.490 1.00 20.90 C ATOM 260 CD1 PHE A 47 43.881 -31.606 1.308 1.00 24.40 C ATOM 261 CD2 PHE A 47 43.705 -29.199 0.939 1.00 21.41 C ATOM 262 CE1 PHE A 47 43.078 -31.412 2.471 1.00 24.94 C ATOM 263 CE2 PHE A 47 42.974 -29.030 2.142 1.00 23.64 C ATOM 264 CZ PHE A 47 42.703 -30.154 2.876 1.00 23.54 C ATOM 265 H PHE A 47 47.495 -29.522 -0.028 1.00 0.00 H ATOM 266 N PRO A 48 46.821 -32.551 -2.607 1.00 21.84 N ATOM 267 CA PRO A 48 47.521 -32.727 -3.915 1.00 23.24 C ATOM 268 C PRO A 48 47.224 -31.496 -4.758 1.00 24.18 C ATOM 269 O PRO A 48 46.098 -30.984 -4.785 1.00 25.68 O ATOM 270 CB PRO A 48 46.784 -33.891 -4.528 1.00 23.36 C ATOM 271 CG PRO A 48 46.313 -34.690 -3.280 1.00 22.04 C ATOM 272 CD PRO A 48 45.868 -33.647 -2.299 1.00 24.95 C ATOM 273 N VAL A 49 48.242 -31.061 -5.508 1.00 23.23 N ATOM 274 CA VAL A 49 48.004 -30.037 -6.639 1.00 23.77 C ATOM 275 C VAL A 49 47.277 -30.610 -7.881 1.00 25.72 C ATOM 276 O VAL A 49 47.552 -31.708 -8.278 1.00 33.13 O ATOM 277 CB VAL A 49 49.395 -29.415 -6.994 1.00 20.24 C ATOM 278 CG1 VAL A 49 49.310 -28.262 -8.026 1.00 19.89 C ATOM 279 CG2 VAL A 49 50.132 -28.952 -5.751 1.00 24.24 C ATOM 280 H VAL A 49 49.203 -31.416 -5.328 1.00 0.00 H ATOM 281 N THR A 50 46.332 -29.927 -8.486 1.00 29.71 N ATOM 282 CA THR A 50 45.746 -30.529 -9.699 1.00 25.74 C ATOM 283 C THR A 50 46.128 -29.676 -10.897 1.00 31.34 C ATOM 284 O THR A 50 46.530 -28.526 -10.653 1.00 30.00 O ATOM 285 CB THR A 50 44.278 -30.513 -9.512 1.00 26.76 C ATOM 286 OG1 THR A 50 43.820 -29.144 -9.533 1.00 29.33 O ATOM 287 CG2 THR A 50 44.008 -31.160 -8.098 1.00 25.04 C ATOM 288 HG1 THR A 50 44.052 -28.733 -10.403 1.00 0.00 H ATOM 289 H THR A 50 46.012 -29.005 -8.127 1.00 0.00 H ATOM 290 N ASP A 51 46.127 -30.247 -12.120 1.00 29.25 N ATOM 291 CA ASP A 51 46.444 -29.391 -13.267 1.00 26.80 C ATOM 292 C ASP A 51 45.504 -28.205 -13.455 1.00 27.90 C ATOM 293 O ASP A 51 45.925 -27.180 -14.004 1.00 29.27 O ATOM 294 CB ASP A 51 46.578 -30.209 -14.570 1.00 27.32 C ATOM 295 CG ASP A 51 47.777 -31.031 -14.600 1.00 33.43 C ATOM 296 OD1 ASP A 51 48.645 -30.839 -13.753 1.00 29.68 O ATOM 297 OD2 ASP A 51 47.901 -31.940 -15.417 1.00 36.37 O ATOM 298 H ASP A 51 45.909 -31.256 -12.244 1.00 0.00 H ATOM 299 N ALA A 52 44.238 -28.295 -13.055 1.00 28.44 N ATOM 300 CA ALA A 52 43.376 -27.095 -13.087 1.00 34.54 C ATOM 301 C ALA A 52 43.764 -25.865 -12.238 1.00 31.70 C ATOM 302 O ALA A 52 43.572 -24.715 -12.673 1.00 37.13 O ATOM 303 CB ALA A 52 41.942 -27.494 -12.803 1.00 33.65 C ATOM 304 H ALA A 52 43.858 -29.204 -12.722 1.00 0.00 H ATOM 305 N ILE A 53 44.358 -26.048 -11.068 1.00 37.41 N ATOM 306 CA ILE A 53 44.878 -24.911 -10.326 1.00 35.62 C ATOM 307 C ILE A 53 46.360 -24.606 -10.748 1.00 36.35 C ATOM 308 O ILE A 53 46.854 -23.534 -10.438 1.00 33.19 O ATOM 309 CB ILE A 53 44.774 -25.071 -8.787 1.00 35.30 C ATOM 310 CG1 ILE A 53 45.942 -25.861 -8.255 1.00 31.72 C ATOM 311 CG2 ILE A 53 43.513 -25.820 -8.360 1.00 37.59 C ATOM 312 CD1 ILE A 53 46.282 -25.557 -6.810 1.00 30.50 C ATOM 313 H ILE A 53 44.453 -27.008 -10.679 1.00 0.00 H ATOM 314 N ALA A 54 47.002 -25.504 -11.512 1.00 31.44 N ATOM 315 CA ALA A 54 48.470 -25.408 -11.795 1.00 27.79 C ATOM 316 C ALA A 54 48.720 -25.958 -13.196 1.00 27.89 C ATOM 317 O ALA A 54 49.038 -27.165 -13.386 1.00 28.21 O ATOM 318 CB ALA A 54 49.307 -26.139 -10.702 1.00 26.37 C ATOM 319 H ALA A 54 46.462 -26.293 -11.921 1.00 0.00 H ATOM 320 N PRO A 55 48.538 -25.095 -14.245 1.00 29.63 N ATOM 321 CA PRO A 55 48.506 -25.581 -15.566 1.00 29.68 C ATOM 322 C PRO A 55 49.858 -26.212 -15.849 1.00 31.35 C ATOM 323 O PRO A 55 50.873 -25.668 -15.418 1.00 33.64 O ATOM 324 CB PRO A 55 48.254 -24.284 -16.392 1.00 33.49 C ATOM 325 CG PRO A 55 47.487 -23.399 -15.421 1.00 32.70 C ATOM 326 CD PRO A 55 48.274 -23.653 -14.165 1.00 31.65 C ATOM 327 N GLY A 56 49.846 -27.416 -16.410 1.00 32.65 N ATOM 328 CA GLY A 56 51.042 -28.159 -16.806 1.00 31.85 C ATOM 329 C GLY A 56 51.689 -28.888 -15.614 1.00 30.13 C ATOM 330 O GLY A 56 52.791 -29.382 -15.693 1.00 31.43 O ATOM 331 H GLY A 56 48.922 -27.861 -16.579 1.00 0.00 H ATOM 332 N TYR A 57 51.004 -28.998 -14.496 1.00 32.01 N ATOM 333 CA TYR A 57 51.751 -29.549 -13.325 1.00 27.08 C ATOM 334 C TYR A 57 52.076 -31.041 -13.478 1.00 29.03 C ATOM 335 O TYR A 57 53.213 -31.473 -13.256 1.00 28.18 O ATOM 336 CB TYR A 57 50.908 -29.395 -12.115 1.00 25.83 C ATOM 337 CG TYR A 57 51.650 -29.692 -10.788 1.00 25.04 C ATOM 338 CD1 TYR A 57 52.293 -28.687 -10.134 1.00 24.26 C ATOM 339 CD2 TYR A 57 51.653 -31.021 -10.236 1.00 21.94 C ATOM 340 CE1 TYR A 57 52.975 -28.950 -8.951 1.00 24.45 C ATOM 341 CE2 TYR A 57 52.292 -31.273 -9.004 1.00 25.92 C ATOM 342 CZ TYR A 57 52.911 -30.234 -8.389 1.00 25.55 C ATOM 343 OH TYR A 57 53.628 -30.428 -7.233 1.00 23.53 O ATOM 344 HH TYR A 57 54.005 -29.564 -6.931 1.00 0.00 H ATOM 345 H TYR A 57 50.004 -28.719 -14.431 1.00 0.00 H ATOM 346 N SER A 58 51.090 -31.830 -13.904 1.00 29.87 N ATOM 347 CA SER A 58 51.336 -33.335 -13.865 1.00 32.78 C ATOM 348 C SER A 58 52.334 -33.852 -14.866 1.00 36.72 C ATOM 349 O SER A 58 52.785 -35.000 -14.797 1.00 39.01 O ATOM 350 CB SER A 58 50.073 -34.130 -14.039 1.00 31.84 C ATOM 351 OG SER A 58 49.563 -34.007 -15.355 1.00 34.82 O ATOM 352 HG SER A 58 49.365 -33.055 -15.543 1.00 0.00 H ATOM 353 H SER A 58 50.191 -31.436 -14.248 1.00 0.00 H ATOM 354 N MET A 59 52.675 -33.009 -15.830 1.00 35.23 N ATOM 355 CA MET A 59 53.630 -33.439 -16.847 1.00 38.36 C ATOM 356 C MET A 59 55.025 -33.094 -16.366 1.00 38.79 C ATOM 357 O MET A 59 55.972 -33.851 -16.644 1.00 40.04 O ATOM 358 CB MET A 59 53.272 -32.893 -18.262 1.00 39.62 C ATOM 359 CG MET A 59 52.111 -33.641 -18.988 1.00 45.48 C ATOM 360 SD MET A 59 52.428 -35.423 -19.266 1.00 54.68 S ATOM 361 CE MET A 59 53.294 -35.331 -20.841 1.00 46.48 C ATOM 362 H MET A 59 52.267 -32.053 -15.862 1.00 0.00 H ATOM 363 N ILE A 60 55.132 -32.013 -15.556 1.00 31.13 N ATOM 364 CA ILE A 60 56.446 -31.515 -15.077 1.00 31.61 C ATOM 365 C ILE A 60 56.903 -32.262 -13.823 1.00 30.81 C ATOM 366 O ILE A 60 58.064 -32.668 -13.701 1.00 30.49 O ATOM 367 CB ILE A 60 56.372 -30.010 -14.669 1.00 36.24 C ATOM 368 CG1 ILE A 60 56.292 -29.099 -15.887 1.00 36.34 C ATOM 369 CG2 ILE A 60 57.590 -29.596 -13.853 1.00 34.79 C ATOM 370 CD1 ILE A 60 55.654 -27.743 -15.603 1.00 34.58 C ATOM 371 H ILE A 60 54.267 -31.517 -15.261 1.00 0.00 H ATOM 372 N ILE A 61 55.948 -32.398 -12.870 1.00 30.36 N ATOM 373 CA ILE A 61 56.169 -33.075 -11.620 1.00 28.72 C ATOM 374 C ILE A 61 55.713 -34.496 -11.777 1.00 29.62 C ATOM 375 O ILE A 61 54.520 -34.743 -11.927 1.00 32.82 O ATOM 376 CB ILE A 61 55.364 -32.385 -10.519 1.00 26.13 C ATOM 377 CG1 ILE A 61 55.834 -30.942 -10.415 1.00 29.11 C ATOM 378 CG2 ILE A 61 55.344 -33.219 -9.223 1.00 24.46 C ATOM 379 CD1 ILE A 61 57.310 -30.884 -10.259 1.00 28.41 C ATOM 380 H ILE A 61 55.008 -31.992 -13.052 1.00 0.00 H ATOM 381 N LYS A 62 56.643 -35.406 -11.674 1.00 26.55 N ATOM 382 CA LYS A 62 56.427 -36.791 -12.035 1.00 28.63 C ATOM 383 C LYS A 62 56.038 -37.531 -10.748 1.00 26.66 C ATOM 384 O LYS A 62 55.359 -38.457 -10.828 1.00 28.56 O ATOM 385 CB LYS A 62 57.694 -37.391 -12.631 1.00 29.46 C ATOM 386 CG LYS A 62 57.958 -36.955 -14.102 1.00 30.72 C ATOM 387 CD LYS A 62 59.350 -37.375 -14.548 1.00 33.93 C ATOM 388 CE LYS A 62 59.723 -37.010 -16.018 1.00 34.45 C ATOM 389 NZ LYS A 62 58.945 -37.767 -17.053 1.00 40.58 N ATOM 390 HZ1 LYS A 62 59.116 -38.786 -16.937 1.00 0.00 H ATOM 391 HZ2 LYS A 62 57.931 -37.569 -16.936 1.00 0.00 H ATOM 392 HZ3 LYS A 62 59.250 -37.469 -18.001 1.00 0.00 H ATOM 393 H LYS A 62 57.578 -35.124 -11.318 1.00 0.00 H ATOM 394 N HIS A 63 56.460 -37.053 -9.554 1.00 27.86 N ATOM 395 CA HIS A 63 56.077 -37.715 -8.313 1.00 26.35 C ATOM 396 C HIS A 63 55.497 -36.792 -7.313 1.00 24.14 C ATOM 397 O HIS A 63 56.236 -36.457 -6.404 1.00 22.51 O ATOM 398 CB HIS A 63 57.278 -38.471 -7.719 1.00 28.81 C ATOM 399 CG HIS A 63 57.716 -39.624 -8.605 1.00 33.61 C ATOM 400 ND1 HIS A 63 57.174 -40.886 -8.522 1.00 35.78 N ATOM 401 CD2 HIS A 63 58.590 -39.659 -9.642 1.00 36.78 C ATOM 402 CE1 HIS A 63 57.754 -41.675 -9.414 1.00 36.17 C ATOM 403 NE2 HIS A 63 58.607 -40.950 -10.120 1.00 34.07 N ATOM 404 H HIS A 63 57.063 -36.206 -9.522 1.00 0.00 H ATOM 405 N PRO A 64 54.190 -36.441 -7.419 1.00 24.40 N ATOM 406 CA PRO A 64 53.591 -35.442 -6.567 1.00 22.61 C ATOM 407 C PRO A 64 53.588 -35.882 -5.080 1.00 22.40 C ATOM 408 O PRO A 64 53.618 -37.133 -4.764 1.00 22.26 O ATOM 409 CB PRO A 64 52.106 -35.429 -6.977 1.00 22.59 C ATOM 410 CG PRO A 64 51.879 -36.717 -7.728 1.00 28.73 C ATOM 411 CD PRO A 64 53.209 -36.925 -8.417 1.00 25.32 C ATOM 412 N MET A 65 53.612 -34.869 -4.164 1.00 20.11 N ATOM 413 CA MET A 65 53.553 -35.137 -2.658 1.00 17.67 C ATOM 414 C MET A 65 52.907 -33.974 -1.961 1.00 17.69 C ATOM 415 O MET A 65 52.995 -32.809 -2.422 1.00 18.72 O ATOM 416 CB MET A 65 54.958 -35.324 -2.148 1.00 18.04 C ATOM 417 CG MET A 65 55.000 -35.966 -0.767 1.00 19.41 C ATOM 418 SD MET A 65 53.882 -37.329 -0.336 1.00 22.79 S ATOM 419 CE MET A 65 54.194 -38.487 -1.685 1.00 22.47 C ATOM 420 H MET A 65 53.672 -33.887 -4.500 1.00 0.00 H ATOM 421 N ASP A 66 52.269 -34.255 -0.861 1.00 15.79 N ATOM 422 CA ASP A 66 51.653 -33.171 -0.078 1.00 17.70 C ATOM 423 C ASP A 66 51.451 -33.746 1.319 1.00 15.22 C ATOM 424 O ASP A 66 51.621 -34.954 1.580 1.00 19.47 O ATOM 425 CB ASP A 66 50.314 -32.793 -0.622 1.00 18.48 C ATOM 426 CG ASP A 66 49.392 -34.025 -0.659 1.00 20.84 C ATOM 427 OD1 ASP A 66 49.547 -34.925 -1.506 1.00 23.61 O ATOM 428 OD2 ASP A 66 48.560 -34.257 0.281 1.00 24.10 O ATOM 429 H ASP A 66 52.195 -35.241 -0.537 1.00 0.00 H ATOM 430 N PHE A 67 51.249 -32.774 2.217 1.00 15.93 N ATOM 431 CA PHE A 67 51.096 -33.172 3.616 1.00 18.35 C ATOM 432 C PHE A 67 50.006 -34.120 3.874 1.00 20.36 C ATOM 433 O PHE A 67 50.152 -34.964 4.824 1.00 20.14 O ATOM 434 CB PHE A 67 50.860 -31.966 4.557 1.00 17.11 C ATOM 435 CG PHE A 67 52.055 -31.108 4.778 1.00 16.26 C ATOM 436 CD1 PHE A 67 53.299 -31.631 5.079 1.00 17.31 C ATOM 437 CD2 PHE A 67 51.971 -29.595 4.808 1.00 18.78 C ATOM 438 CE1 PHE A 67 54.346 -30.813 5.439 1.00 18.57 C ATOM 439 CE2 PHE A 67 53.072 -28.842 5.151 1.00 17.21 C ATOM 440 CZ PHE A 67 54.260 -29.397 5.460 1.00 16.20 C ATOM 441 H PHE A 67 51.203 -31.775 1.931 1.00 0.00 H ATOM 442 N GLY A 68 48.879 -34.003 3.178 1.00 22.48 N ATOM 443 CA GLY A 68 47.738 -34.936 3.344 1.00 21.37 C ATOM 444 C GLY A 68 48.153 -36.381 3.028 1.00 20.58 C ATOM 445 O GLY A 68 47.858 -37.367 3.785 1.00 25.00 O ATOM 446 H GLY A 68 48.794 -33.227 2.491 1.00 0.00 H ATOM 447 N THR A 69 48.876 -36.575 1.898 1.00 21.31 N ATOM 448 CA THR A 69 49.392 -37.899 1.428 1.00 22.73 C ATOM 449 C THR A 69 50.344 -38.360 2.475 1.00 22.80 C ATOM 450 O THR A 69 50.333 -39.496 2.904 1.00 22.76 O ATOM 451 CB THR A 69 50.079 -37.724 0.031 1.00 22.23 C ATOM 452 OG1 THR A 69 48.992 -37.321 -0.817 1.00 28.48 O ATOM 453 CG2 THR A 69 50.657 -39.032 -0.476 1.00 30.59 C ATOM 454 HG1 THR A 69 48.604 -36.477 -0.475 1.00 0.00 H ATOM 455 H THR A 69 49.088 -35.741 1.314 1.00 0.00 H ATOM 456 N MET A 70 51.144 -37.427 3.023 1.00 19.79 N ATOM 457 CA MET A 70 52.104 -37.888 4.077 1.00 20.26 C ATOM 458 C MET A 70 51.415 -38.394 5.362 1.00 19.67 C ATOM 459 O MET A 70 51.814 -39.451 5.949 1.00 20.21 O ATOM 460 CB MET A 70 53.061 -36.774 4.416 1.00 18.45 C ATOM 461 CG MET A 70 54.047 -36.545 3.196 1.00 20.69 C ATOM 462 SD MET A 70 55.030 -35.022 3.573 1.00 22.79 S ATOM 463 CE MET A 70 56.057 -35.564 4.907 1.00 26.05 C ATOM 464 H MET A 70 51.098 -36.431 2.728 1.00 0.00 H ATOM 465 N LYS A 71 50.338 -37.713 5.702 1.00 20.93 N ATOM 466 CA LYS A 71 49.512 -38.187 6.875 1.00 20.85 C ATOM 467 C LYS A 71 49.021 -39.520 6.621 1.00 23.90 C ATOM 468 O LYS A 71 49.197 -40.441 7.445 1.00 23.57 O ATOM 469 CB LYS A 71 48.399 -37.216 7.246 1.00 22.43 C ATOM 470 CG LYS A 71 47.530 -37.789 8.357 1.00 24.80 C ATOM 471 CD LYS A 71 46.585 -36.742 8.871 1.00 27.56 C ATOM 472 CE LYS A 71 47.251 -35.746 9.815 1.00 32.01 C ATOM 473 NZ LYS A 71 46.233 -34.811 10.405 1.00 37.32 N ATOM 474 HZ1 LYS A 71 45.761 -34.287 9.641 1.00 0.00 H ATOM 475 HZ2 LYS A 71 45.528 -35.360 10.937 1.00 0.00 H ATOM 476 HZ3 LYS A 71 46.708 -34.142 11.044 1.00 0.00 H ATOM 477 H LYS A 71 50.061 -36.863 5.171 1.00 0.00 H ATOM 478 N ASP A 72 48.425 -39.746 5.454 1.00 21.51 N ATOM 479 CA ASP A 72 47.877 -41.062 5.252 1.00 23.65 C ATOM 480 C ASP A 72 48.930 -42.194 5.236 1.00 22.25 C ATOM 481 O ASP A 72 48.644 -43.337 5.708 1.00 24.26 O ATOM 482 CB ASP A 72 47.005 -41.029 3.942 1.00 28.01 C ATOM 483 CG ASP A 72 45.810 -39.976 4.015 1.00 30.74 C ATOM 484 OD1 ASP A 72 45.288 -39.644 5.108 1.00 31.24 O ATOM 485 OD2 ASP A 72 45.377 -39.509 2.926 1.00 32.80 O ATOM 486 H ASP A 72 48.358 -39.009 4.723 1.00 0.00 H ATOM 487 N LYS A 73 50.175 -41.944 4.726 1.00 21.92 N ATOM 488 CA LYS A 73 51.333 -42.852 4.743 1.00 21.41 C ATOM 489 C LYS A 73 51.761 -43.140 6.228 1.00 22.70 C ATOM 490 O LYS A 73 52.134 -44.330 6.572 1.00 23.71 O ATOM 491 CB LYS A 73 52.506 -42.490 3.821 1.00 23.41 C ATOM 492 CG LYS A 73 52.095 -42.345 2.360 1.00 24.83 C ATOM 493 CD LYS A 73 53.274 -41.958 1.455 1.00 26.68 C ATOM 494 CE LYS A 73 54.518 -42.788 1.685 1.00 26.18 C ATOM 495 NZ LYS A 73 55.575 -42.465 0.623 1.00 29.83 N ATOM 496 HZ1 LYS A 73 55.193 -42.678 -0.321 1.00 0.00 H ATOM 497 HZ2 LYS A 73 55.823 -41.457 0.678 1.00 0.00 H ATOM 498 HZ3 LYS A 73 56.423 -43.042 0.793 1.00 0.00 H ATOM 499 H LYS A 73 50.318 -41.015 4.280 1.00 0.00 H ATOM 500 N ILE A 74 51.697 -42.123 7.069 1.00 21.18 N ATOM 501 CA ILE A 74 51.949 -42.349 8.588 1.00 22.32 C ATOM 502 C ILE A 74 50.910 -43.357 9.133 1.00 27.13 C ATOM 503 O ILE A 74 51.356 -44.355 9.742 1.00 26.98 O ATOM 504 CB ILE A 74 52.009 -41.076 9.444 1.00 23.24 C ATOM 505 CG1 ILE A 74 53.227 -40.200 9.082 1.00 21.32 C ATOM 506 CG2 ILE A 74 52.036 -41.534 10.924 1.00 25.52 C ATOM 507 CD1 ILE A 74 53.067 -38.790 9.611 1.00 23.10 C ATOM 508 H ILE A 74 51.478 -41.170 6.715 1.00 0.00 H ATOM 509 N VAL A 75 49.592 -43.128 8.763 1.00 27.76 N ATOM 510 CA VAL A 75 48.428 -43.751 9.443 1.00 30.01 C ATOM 511 C VAL A 75 48.564 -45.182 8.928 1.00 27.88 C ATOM 512 O VAL A 75 48.352 -46.170 9.705 1.00 32.78 O ATOM 513 CB VAL A 75 47.073 -43.044 9.060 1.00 28.38 C ATOM 514 CG1 VAL A 75 45.847 -43.867 9.456 1.00 31.54 C ATOM 515 CG2 VAL A 75 46.954 -41.663 9.685 1.00 31.44 C ATOM 516 H VAL A 75 49.410 -42.485 7.966 1.00 0.00 H ATOM 517 N ALA A 76 48.935 -45.334 7.655 1.00 27.81 N ATOM 518 CA ALA A 76 49.042 -46.625 6.953 1.00 26.10 C ATOM 519 C ALA A 76 50.348 -47.414 7.218 1.00 28.86 C ATOM 520 O ALA A 76 50.552 -48.530 6.791 1.00 29.91 O ATOM 521 CB ALA A 76 48.763 -46.410 5.458 1.00 27.22 C ATOM 522 H ALA A 76 49.166 -44.475 7.117 1.00 0.00 H ATOM 523 N ASN A 77 51.204 -46.855 8.045 1.00 27.01 N ATOM 524 CA ASN A 77 52.499 -47.457 8.449 1.00 28.25 C ATOM 525 C ASN A 77 53.548 -47.709 7.336 1.00 29.25 C ATOM 526 O ASN A 77 54.353 -48.696 7.333 1.00 30.13 O ATOM 527 CB ASN A 77 52.274 -48.801 9.184 1.00 34.02 C ATOM 528 CG ASN A 77 53.094 -48.879 10.423 1.00 40.48 C ATOM 529 OD1 ASN A 77 53.191 -47.910 11.160 1.00 36.16 O ATOM 530 ND2 ASN A 77 53.708 -50.042 10.673 1.00 42.78 N ATOM 531 HD22 ASN A 77 53.596 -50.841 10.016 1.00 0.00 H ATOM 532 HD21 ASN A 77 54.297 -50.147 11.524 1.00 0.00 H ATOM 533 H ASN A 77 50.956 -45.927 8.444 1.00 0.00 H ATOM 534 N GLU A 78 53.559 -46.792 6.391 1.00 26.33 N ATOM 535 CA GLU A 78 54.406 -46.979 5.247 1.00 26.58 C ATOM 536 C GLU A 78 55.811 -46.507 5.432 1.00 26.49 C ATOM 537 O GLU A 78 56.692 -46.971 4.705 1.00 29.71 O ATOM 538 CB GLU A 78 53.789 -46.332 4.017 1.00 27.05 C ATOM 539 CG GLU A 78 52.386 -46.836 3.721 1.00 30.96 C ATOM 540 CD GLU A 78 51.828 -46.304 2.427 1.00 34.71 C ATOM 541 OE1 GLU A 78 52.595 -45.745 1.623 1.00 38.83 O ATOM 542 OE2 GLU A 78 50.599 -46.477 2.206 1.00 46.60 O ATOM 543 H GLU A 78 52.962 -45.944 6.472 1.00 0.00 H ATOM 544 N TYR A 79 56.005 -45.448 6.267 1.00 22.58 N ATOM 545 CA TYR A 79 57.362 -45.101 6.652 1.00 21.67 C ATOM 546 C TYR A 79 57.938 -45.993 7.687 1.00 21.66 C ATOM 547 O TYR A 79 57.346 -46.099 8.768 1.00 24.31 O ATOM 548 CB TYR A 79 57.415 -43.625 7.201 1.00 23.49 C ATOM 549 CG TYR A 79 56.828 -42.572 6.220 1.00 20.26 C ATOM 550 CD1 TYR A 79 57.403 -42.400 4.918 1.00 22.72 C ATOM 551 CD2 TYR A 79 55.682 -41.876 6.537 1.00 20.82 C ATOM 552 CE1 TYR A 79 56.891 -41.449 4.049 1.00 22.93 C ATOM 553 CE2 TYR A 79 55.152 -40.908 5.660 1.00 19.13 C ATOM 554 CZ TYR A 79 55.805 -40.716 4.438 1.00 22.29 C ATOM 555 OH TYR A 79 55.251 -39.786 3.598 1.00 24.00 O ATOM 556 HH TYR A 79 55.788 -39.731 2.768 1.00 0.00 H ATOM 557 H TYR A 79 55.197 -44.898 6.622 1.00 0.00 H ATOM 558 N LYS A 80 59.137 -46.478 7.479 1.00 22.99 N ATOM 559 CA LYS A 80 59.782 -47.431 8.425 1.00 25.29 C ATOM 560 C LYS A 80 60.880 -46.718 9.150 1.00 25.45 C ATOM 561 O LYS A 80 61.526 -47.246 10.043 1.00 29.73 O ATOM 562 CB LYS A 80 60.311 -48.673 7.677 1.00 27.85 C ATOM 563 CG LYS A 80 59.257 -49.307 6.773 1.00 28.90 C ATOM 564 CD LYS A 80 58.167 -50.042 7.559 1.00 28.86 C ATOM 565 CE LYS A 80 57.112 -50.621 6.566 1.00 31.37 C ATOM 566 NZ LYS A 80 55.755 -50.904 7.116 1.00 33.64 N ATOM 567 HZ1 LYS A 80 55.832 -51.601 7.884 1.00 0.00 H ATOM 568 HZ2 LYS A 80 55.342 -50.024 7.485 1.00 0.00 H ATOM 569 HZ3 LYS A 80 55.149 -51.283 6.361 1.00 0.00 H ATOM 570 H LYS A 80 59.656 -46.188 6.625 1.00 0.00 H ATOM 571 N SER A 81 61.155 -45.447 8.743 1.00 24.13 N ATOM 572 CA SER A 81 62.210 -44.753 9.393 1.00 23.05 C ATOM 573 C SER A 81 61.966 -43.267 9.172 1.00 22.02 C ATOM 574 O SER A 81 61.227 -42.859 8.271 1.00 22.49 O ATOM 575 CB SER A 81 63.556 -45.104 8.826 1.00 24.33 C ATOM 576 OG SER A 81 63.684 -44.748 7.454 1.00 23.76 O ATOM 577 HG SER A 81 64.585 -45.000 7.132 1.00 0.00 H ATOM 578 H SER A 81 60.609 -44.999 7.980 1.00 0.00 H ATOM 579 N VAL A 82 62.490 -42.464 10.059 1.00 22.56 N ATOM 580 CA VAL A 82 62.417 -41.004 9.906 1.00 21.80 C ATOM 581 C VAL A 82 63.109 -40.518 8.587 1.00 23.16 C ATOM 582 O VAL A 82 62.690 -39.462 8.011 1.00 19.71 O ATOM 583 CB VAL A 82 63.079 -40.306 11.139 1.00 22.12 C ATOM 584 CG1 VAL A 82 63.159 -38.817 10.926 1.00 23.44 C ATOM 585 CG2 VAL A 82 62.188 -40.588 12.357 1.00 24.06 C ATOM 586 H VAL A 82 62.969 -42.866 10.890 1.00 0.00 H ATOM 587 N THR A 83 64.152 -41.240 8.070 1.00 22.39 N ATOM 588 CA THR A 83 64.834 -40.952 6.803 1.00 21.79 C ATOM 589 C THR A 83 63.791 -41.032 5.706 1.00 24.36 C ATOM 590 O THR A 83 63.742 -40.147 4.868 1.00 22.02 O ATOM 591 CB THR A 83 65.921 -42.008 6.584 1.00 24.77 C ATOM 592 OG1 THR A 83 66.860 -41.915 7.644 1.00 28.95 O ATOM 593 CG2 THR A 83 66.608 -41.790 5.244 1.00 27.20 C ATOM 594 HG1 THR A 83 67.570 -42.593 7.515 1.00 0.00 H ATOM 595 H THR A 83 64.487 -42.057 8.619 1.00 0.00 H ATOM 596 N GLU A 84 62.930 -42.012 5.731 1.00 19.00 N ATOM 597 CA GLU A 84 61.939 -42.152 4.611 1.00 21.11 C ATOM 598 C GLU A 84 60.949 -41.011 4.671 1.00 21.76 C ATOM 599 O GLU A 84 60.484 -40.575 3.587 1.00 23.15 O ATOM 600 CB GLU A 84 61.204 -43.519 4.647 1.00 24.48 C ATOM 601 CG GLU A 84 62.148 -44.645 4.427 1.00 25.15 C ATOM 602 CD GLU A 84 61.534 -46.035 4.617 1.00 27.46 C ATOM 603 OE1 GLU A 84 60.298 -46.174 4.906 1.00 26.92 O ATOM 604 OE2 GLU A 84 62.299 -46.987 4.297 1.00 27.23 O ATOM 605 H GLU A 84 62.930 -42.690 6.519 1.00 0.00 H ATOM 606 N PHE A 85 60.481 -40.564 5.843 1.00 19.98 N ATOM 607 CA PHE A 85 59.553 -39.446 6.007 1.00 20.67 C ATOM 608 C PHE A 85 60.217 -38.187 5.480 1.00 20.35 C ATOM 609 O PHE A 85 59.658 -37.414 4.803 1.00 17.26 O ATOM 610 CB PHE A 85 59.165 -39.312 7.531 1.00 19.74 C ATOM 611 CG PHE A 85 58.275 -38.135 7.803 1.00 17.06 C ATOM 612 CD1 PHE A 85 56.909 -38.177 7.564 1.00 19.20 C ATOM 613 CD2 PHE A 85 58.782 -36.979 8.383 1.00 18.19 C ATOM 614 CE1 PHE A 85 56.084 -37.077 7.798 1.00 21.92 C ATOM 615 CE2 PHE A 85 57.935 -35.897 8.711 1.00 16.92 C ATOM 616 CZ PHE A 85 56.597 -35.942 8.367 1.00 20.78 C ATOM 617 H PHE A 85 60.803 -41.050 6.704 1.00 0.00 H ATOM 618 N LYS A 86 61.479 -37.993 5.879 1.00 20.33 N ATOM 619 CA LYS A 86 62.144 -36.677 5.454 1.00 19.27 C ATOM 620 C LYS A 86 62.319 -36.723 3.942 1.00 16.06 C ATOM 621 O LYS A 86 62.148 -35.660 3.355 1.00 18.47 O ATOM 622 CB LYS A 86 63.498 -36.614 6.110 1.00 19.21 C ATOM 623 CG LYS A 86 63.489 -36.472 7.672 1.00 20.90 C ATOM 624 CD LYS A 86 64.919 -36.618 8.146 1.00 25.32 C ATOM 625 CE LYS A 86 65.310 -35.680 9.240 1.00 31.98 C ATOM 626 NZ LYS A 86 66.769 -36.021 9.408 1.00 29.34 N ATOM 627 HZ1 LYS A 86 66.862 -37.024 9.669 1.00 0.00 H ATOM 628 HZ2 LYS A 86 67.270 -35.846 8.513 1.00 0.00 H ATOM 629 HZ3 LYS A 86 67.178 -35.427 10.157 1.00 0.00 H ATOM 630 H LYS A 86 61.985 -38.700 6.450 1.00 0.00 H ATOM 631 N ALA A 87 62.448 -37.896 3.312 1.00 16.92 N ATOM 632 CA ALA A 87 62.572 -37.880 1.828 1.00 17.24 C ATOM 633 C ALA A 87 61.264 -37.535 1.198 1.00 17.16 C ATOM 634 O ALA A 87 61.238 -36.883 0.080 1.00 20.72 O ATOM 635 CB ALA A 87 62.946 -39.289 1.420 1.00 21.94 C ATOM 636 H ALA A 87 62.461 -38.791 3.842 1.00 0.00 H ATOM 637 N ASP A 88 60.100 -37.859 1.691 1.00 17.78 N ATOM 638 CA ASP A 88 58.889 -37.401 1.091 1.00 16.49 C ATOM 639 C ASP A 88 58.698 -35.861 1.397 1.00 15.95 C ATOM 640 O ASP A 88 58.138 -35.083 0.542 1.00 20.57 O ATOM 641 CB ASP A 88 57.737 -38.130 1.690 1.00 19.37 C ATOM 642 CG ASP A 88 57.282 -39.291 0.806 1.00 22.58 C ATOM 643 OD1 ASP A 88 57.812 -39.502 -0.257 1.00 23.60 O ATOM 644 OD2 ASP A 88 56.307 -39.967 1.195 1.00 26.55 O ATOM 645 H ASP A 88 60.054 -38.462 2.537 1.00 0.00 H ATOM 646 N PHE A 89 59.001 -35.405 2.618 1.00 16.52 N ATOM 647 CA PHE A 89 58.999 -33.939 2.845 1.00 15.71 C ATOM 648 C PHE A 89 59.853 -33.276 1.804 1.00 15.88 C ATOM 649 O PHE A 89 59.415 -32.178 1.252 1.00 17.63 O ATOM 650 CB PHE A 89 59.411 -33.631 4.304 1.00 16.05 C ATOM 651 CG PHE A 89 59.475 -32.151 4.621 1.00 15.30 C ATOM 652 CD1 PHE A 89 58.333 -31.407 4.462 1.00 17.12 C ATOM 653 CD2 PHE A 89 60.648 -31.576 5.071 1.00 15.59 C ATOM 654 CE1 PHE A 89 58.288 -30.006 4.699 1.00 17.11 C ATOM 655 CE2 PHE A 89 60.609 -30.200 5.320 1.00 17.18 C ATOM 656 CZ PHE A 89 59.424 -29.499 5.169 1.00 18.66 C ATOM 657 H PHE A 89 59.232 -36.063 3.390 1.00 0.00 H ATOM 658 N LYS A 90 61.065 -33.763 1.521 1.00 18.26 N ATOM 659 CA LYS A 90 61.918 -32.994 0.609 1.00 19.59 C ATOM 660 C LYS A 90 61.342 -33.104 -0.753 1.00 21.48 C ATOM 661 O LYS A 90 61.467 -32.160 -1.492 1.00 20.79 O ATOM 662 CB LYS A 90 63.339 -33.527 0.702 1.00 22.37 C ATOM 663 CG LYS A 90 64.294 -32.905 -0.355 1.00 23.02 C ATOM 664 CD LYS A 90 65.631 -33.502 -0.134 1.00 22.53 C ATOM 665 CE LYS A 90 66.720 -33.158 -1.057 1.00 22.88 C ATOM 666 NZ LYS A 90 66.336 -33.045 -2.471 1.00 26.13 N ATOM 667 HZ1 LYS A 90 65.949 -33.953 -2.797 1.00 0.00 H ATOM 668 HZ2 LYS A 90 65.616 -32.302 -2.575 1.00 0.00 H ATOM 669 HZ3 LYS A 90 67.173 -32.800 -3.038 1.00 0.00 H ATOM 670 H LYS A 90 61.393 -34.659 1.935 1.00 0.00 H ATOM 671 N LEU A 91 60.717 -34.235 -1.073 1.00 18.87 N ATOM 672 CA LEU A 91 60.169 -34.359 -2.409 1.00 18.93 C ATOM 673 C LEU A 91 59.055 -33.292 -2.618 1.00 20.21 C ATOM 674 O LEU A 91 58.962 -32.565 -3.648 1.00 20.70 O ATOM 675 CB LEU A 91 59.657 -35.753 -2.603 1.00 21.85 C ATOM 676 CG LEU A 91 58.772 -35.957 -3.767 1.00 18.52 C ATOM 677 CD1 LEU A 91 59.495 -35.481 -5.064 1.00 21.52 C ATOM 678 CD2 LEU A 91 58.386 -37.499 -3.788 1.00 19.40 C ATOM 679 H LEU A 91 60.625 -35.008 -0.384 1.00 0.00 H ATOM 680 N MET A 92 58.201 -33.120 -1.622 1.00 18.96 N ATOM 681 CA MET A 92 57.155 -32.111 -1.678 1.00 21.52 C ATOM 682 C MET A 92 57.689 -30.690 -1.875 1.00 17.81 C ATOM 683 O MET A 92 57.223 -29.931 -2.791 1.00 17.33 O ATOM 684 CB MET A 92 56.407 -32.084 -0.322 1.00 18.18 C ATOM 685 CG MET A 92 55.136 -31.388 -0.365 1.00 19.80 C ATOM 686 SD MET A 92 54.479 -31.155 1.344 1.00 21.36 S ATOM 687 CE MET A 92 55.722 -30.223 2.240 1.00 25.66 C ATOM 688 H MET A 92 58.280 -33.722 -0.777 1.00 0.00 H ATOM 689 N CYS A 93 58.718 -30.307 -1.063 1.00 18.62 N ATOM 690 CA CYS A 93 59.365 -28.961 -1.251 1.00 20.00 C ATOM 691 C CYS A 93 60.119 -28.868 -2.610 1.00 18.72 C ATOM 692 O CYS A 93 60.042 -27.756 -3.199 1.00 20.28 O ATOM 693 CB CYS A 93 60.375 -28.775 -0.110 1.00 15.88 C ATOM 694 SG CYS A 93 59.551 -28.671 1.478 1.00 19.38 S ATOM 695 H CYS A 93 59.055 -30.946 -0.314 1.00 0.00 H ATOM 696 N ASP A 94 60.819 -29.935 -3.075 1.00 19.74 N ATOM 697 CA ASP A 94 61.568 -30.046 -4.405 1.00 19.25 C ATOM 698 C ASP A 94 60.544 -29.804 -5.481 1.00 20.79 C ATOM 699 O ASP A 94 60.742 -28.850 -6.365 1.00 21.37 O ATOM 700 CB ASP A 94 62.333 -31.366 -4.526 1.00 19.14 C ATOM 701 CG ASP A 94 63.660 -31.329 -3.801 1.00 21.68 C ATOM 702 OD1 ASP A 94 63.979 -30.229 -3.210 1.00 25.67 O ATOM 703 OD2 ASP A 94 64.327 -32.367 -3.705 1.00 28.17 O ATOM 704 H ASP A 94 60.849 -30.771 -2.457 1.00 0.00 H ATOM 705 N ASN A 95 59.398 -30.485 -5.384 1.00 19.30 N ATOM 706 CA ASN A 95 58.430 -30.342 -6.512 1.00 22.03 C ATOM 707 C ASN A 95 57.955 -28.885 -6.588 1.00 23.41 C ATOM 708 O ASN A 95 57.754 -28.324 -7.699 1.00 24.41 O ATOM 709 CB ASN A 95 57.192 -31.234 -6.357 1.00 20.21 C ATOM 710 CG ASN A 95 57.480 -32.713 -6.446 1.00 22.91 C ATOM 711 OD1 ASN A 95 58.493 -33.191 -7.077 1.00 22.78 O ATOM 712 ND2 ASN A 95 56.544 -33.485 -5.780 1.00 20.37 N ATOM 713 HD22 ASN A 95 55.748 -33.029 -5.290 1.00 0.00 H ATOM 714 HD21 ASN A 95 56.637 -34.521 -5.770 1.00 0.00 H ATOM 715 H ASN A 95 59.190 -31.086 -4.561 1.00 0.00 H ATOM 716 N ALA A 96 57.720 -28.247 -5.462 1.00 21.19 N ATOM 717 CA ALA A 96 57.201 -26.795 -5.441 1.00 20.73 C ATOM 718 C ALA A 96 58.252 -25.871 -6.000 1.00 23.59 C ATOM 719 O ALA A 96 57.938 -24.785 -6.629 1.00 21.46 O ATOM 720 CB ALA A 96 56.757 -26.341 -4.008 1.00 20.35 C ATOM 721 H ALA A 96 57.889 -28.736 -4.560 1.00 0.00 H ATOM 722 N MET A 97 59.519 -26.197 -5.729 1.00 20.86 N ATOM 723 CA MET A 97 60.632 -25.334 -6.198 1.00 23.78 C ATOM 724 C MET A 97 60.752 -25.357 -7.659 1.00 27.13 C ATOM 725 O MET A 97 61.212 -24.372 -8.367 1.00 30.87 O ATOM 726 CB MET A 97 61.908 -25.592 -5.415 1.00 23.13 C ATOM 727 CG MET A 97 61.697 -25.084 -3.980 1.00 23.93 C ATOM 728 SD MET A 97 63.129 -25.336 -2.926 1.00 26.29 S ATOM 729 CE MET A 97 63.478 -27.081 -2.821 1.00 28.52 C ATOM 730 H MET A 97 59.727 -27.060 -5.187 1.00 0.00 H ATOM 731 N THR A 98 60.505 -26.547 -8.119 1.00 25.08 N ATOM 732 CA THR A 98 60.638 -26.842 -9.533 1.00 24.38 C ATOM 733 C THR A 98 59.464 -26.155 -10.280 1.00 24.16 C ATOM 734 O THR A 98 59.630 -25.319 -11.304 1.00 25.20 O ATOM 735 CB THR A 98 60.617 -28.363 -9.834 1.00 26.68 C ATOM 736 OG1 THR A 98 61.831 -29.000 -9.401 1.00 31.21 O ATOM 737 CG2 THR A 98 60.489 -28.595 -11.389 1.00 24.75 C ATOM 738 HG1 THR A 98 61.939 -28.874 -8.425 1.00 0.00 H ATOM 739 H THR A 98 60.208 -27.298 -7.464 1.00 0.00 H ATOM 740 N TYR A 99 58.239 -26.515 -9.972 1.00 25.58 N ATOM 741 CA TYR A 99 57.110 -26.021 -10.733 1.00 24.51 C ATOM 742 C TYR A 99 56.972 -24.488 -10.637 1.00 26.63 C ATOM 743 O TYR A 99 56.691 -23.829 -11.651 1.00 27.42 O ATOM 744 CB TYR A 99 55.831 -26.715 -10.281 1.00 24.08 C ATOM 745 CG TYR A 99 54.594 -26.146 -11.000 1.00 22.63 C ATOM 746 CD1 TYR A 99 54.278 -26.582 -12.295 1.00 24.85 C ATOM 747 CD2 TYR A 99 53.818 -25.139 -10.464 1.00 21.82 C ATOM 748 CE1 TYR A 99 53.232 -25.972 -13.019 1.00 24.77 C ATOM 749 CE2 TYR A 99 52.714 -24.581 -11.106 1.00 21.98 C ATOM 750 CZ TYR A 99 52.496 -24.978 -12.409 1.00 23.75 C ATOM 751 OH TYR A 99 51.416 -24.428 -13.066 1.00 24.63 O ATOM 752 HH TYR A 99 51.370 -24.792 -13.986 1.00 0.00 H ATOM 753 H TYR A 99 58.078 -27.161 -9.173 1.00 0.00 H ATOM 754 N ASN A 100 57.169 -23.890 -9.481 1.00 25.20 N ATOM 755 CA ASN A 100 56.798 -22.462 -9.252 1.00 22.69 C ATOM 756 C ASN A 100 57.954 -21.502 -9.500 1.00 24.09 C ATOM 757 O ASN A 100 59.110 -21.791 -9.088 1.00 27.62 O ATOM 758 CB ASN A 100 56.208 -22.240 -7.813 1.00 22.03 C ATOM 759 CG ASN A 100 54.956 -23.058 -7.558 1.00 22.22 C ATOM 760 OD1 ASN A 100 53.864 -22.701 -7.960 1.00 22.80 O ATOM 761 ND2 ASN A 100 55.141 -24.215 -6.849 1.00 20.32 N ATOM 762 HD22 ASN A 100 56.093 -24.480 -6.526 1.00 0.00 H ATOM 763 HD21 ASN A 100 54.329 -24.829 -6.634 1.00 0.00 H ATOM 764 H ASN A 100 57.597 -24.430 -8.702 1.00 0.00 H ATOM 765 N ARG A 101 57.602 -20.351 -10.110 1.00 29.62 N ATOM 766 CA ARG A 101 58.631 -19.334 -10.331 1.00 31.48 C ATOM 767 C ARG A 101 59.236 -18.916 -8.966 1.00 32.12 C ATOM 768 O ARG A 101 58.516 -18.701 -7.981 1.00 31.57 O ATOM 769 CB ARG A 101 58.038 -18.094 -11.009 1.00 37.75 C ATOM 770 CG ARG A 101 58.378 -17.902 -12.475 1.00 46.13 C ATOM 771 CD ARG A 101 57.707 -16.644 -13.038 1.00 51.85 C ATOM 772 NE ARG A 101 58.213 -15.402 -12.442 1.00 56.18 N ATOM 773 CZ ARG A 101 59.138 -14.623 -13.002 1.00 49.89 C ATOM 774 NH1 ARG A 101 59.556 -13.518 -12.398 1.00 55.66 N ATOM 775 NH2 ARG A 101 59.665 -14.956 -14.160 1.00 56.40 N ATOM 776 HE ARG A 101 57.824 -15.111 -11.522 1.00 0.00 H ATOM 777 HH12 ARG A 101 60.279 -12.921 -12.848 1.00 0.00 H ATOM 778 HH11 ARG A 101 59.161 -13.249 -11.474 1.00 0.00 H ATOM 779 HH22 ARG A 101 60.387 -14.348 -14.597 1.00 0.00 H ATOM 780 HH21 ARG A 101 59.360 -15.827 -14.639 1.00 0.00 H ATOM 781 H ARG A 101 56.621 -20.190 -10.416 1.00 0.00 H ATOM 782 N PRO A 102 60.560 -18.640 -8.931 1.00 32.43 N ATOM 783 CA PRO A 102 61.149 -18.228 -7.680 1.00 30.86 C ATOM 784 C PRO A 102 60.506 -17.052 -6.901 1.00 29.28 C ATOM 785 O PRO A 102 60.702 -17.011 -5.689 1.00 32.28 O ATOM 786 CB PRO A 102 62.630 -17.968 -8.076 1.00 32.43 C ATOM 787 CG PRO A 102 62.842 -19.079 -9.080 1.00 33.65 C ATOM 788 CD PRO A 102 61.607 -19.006 -9.915 1.00 34.76 C ATOM 789 N ASP A 103 59.956 -15.991 -7.575 1.00 30.43 N ATOM 790 CA ASP A 103 59.304 -14.879 -6.797 1.00 32.11 C ATOM 791 C ASP A 103 57.911 -15.143 -6.096 1.00 36.46 C ATOM 792 O ASP A 103 57.322 -14.211 -5.501 1.00 39.11 O ATOM 793 CB ASP A 103 59.218 -13.602 -7.640 1.00 31.83 C ATOM 794 CG ASP A 103 58.401 -13.763 -8.865 1.00 34.65 C ATOM 795 OD1 ASP A 103 57.671 -14.754 -9.187 1.00 33.96 O ATOM 796 OD2 ASP A 103 58.513 -12.750 -9.609 1.00 40.30 O ATOM 797 H ASP A 103 59.989 -15.955 -8.614 1.00 0.00 H ATOM 798 N THR A 104 57.433 -16.411 -6.144 1.00 29.02 N ATOM 799 CA THR A 104 56.063 -16.821 -5.783 1.00 30.40 C ATOM 800 C THR A 104 56.067 -17.284 -4.328 1.00 24.33 C ATOM 801 O THR A 104 57.120 -17.664 -3.831 1.00 25.20 O ATOM 802 CB THR A 104 55.530 -17.992 -6.660 1.00 29.66 C ATOM 803 OG1 THR A 104 56.321 -19.192 -6.433 1.00 27.83 O ATOM 804 CG2 THR A 104 55.602 -17.677 -8.122 1.00 30.05 C ATOM 805 HG1 THR A 104 57.265 -19.013 -6.670 1.00 0.00 H ATOM 806 H THR A 104 58.086 -17.156 -6.461 1.00 0.00 H ATOM 807 N VAL A 105 54.946 -17.081 -3.671 1.00 25.37 N ATOM 808 CA VAL A 105 54.724 -17.447 -2.288 1.00 22.43 C ATOM 809 C VAL A 105 55.014 -18.951 -2.173 1.00 23.02 C ATOM 810 O VAL A 105 55.536 -19.435 -1.173 1.00 24.44 O ATOM 811 CB VAL A 105 53.310 -17.120 -1.701 1.00 20.86 C ATOM 812 CG1 VAL A 105 53.204 -15.577 -1.908 1.00 23.95 C ATOM 813 CG2 VAL A 105 52.144 -17.780 -2.415 1.00 21.44 C ATOM 814 H VAL A 105 54.163 -16.625 -4.181 1.00 0.00 H ATOM 815 N TYR A 106 54.718 -19.645 -3.224 1.00 22.95 N ATOM 816 CA TYR A 106 54.858 -21.110 -3.210 1.00 22.59 C ATOM 817 C TYR A 106 56.330 -21.560 -3.157 1.00 22.97 C ATOM 818 O TYR A 106 56.737 -22.434 -2.403 1.00 20.60 O ATOM 819 CB TYR A 106 54.107 -21.757 -4.373 1.00 23.03 C ATOM 820 CG TYR A 106 52.697 -21.338 -4.422 1.00 26.55 C ATOM 821 CD1 TYR A 106 51.749 -21.936 -3.695 1.00 29.98 C ATOM 822 CD2 TYR A 106 52.324 -20.291 -5.272 1.00 29.29 C ATOM 823 CE1 TYR A 106 50.446 -21.532 -3.760 1.00 28.70 C ATOM 824 CE2 TYR A 106 51.007 -19.889 -5.369 1.00 28.04 C ATOM 825 CZ TYR A 106 50.077 -20.520 -4.593 1.00 28.76 C ATOM 826 OH TYR A 106 48.732 -20.191 -4.591 1.00 37.90 O ATOM 827 HH TYR A 106 48.251 -20.778 -3.955 1.00 0.00 H ATOM 828 H TYR A 106 54.380 -19.165 -4.083 1.00 0.00 H ATOM 829 N TYR A 107 57.122 -21.011 -4.034 1.00 22.40 N ATOM 830 CA TYR A 107 58.521 -21.264 -4.042 1.00 23.01 C ATOM 831 C TYR A 107 59.187 -20.860 -2.789 1.00 24.55 C ATOM 832 O TYR A 107 59.970 -21.665 -2.266 1.00 24.09 O ATOM 833 CB TYR A 107 59.145 -20.598 -5.322 1.00 24.32 C ATOM 834 CG TYR A 107 60.630 -20.879 -5.434 1.00 25.67 C ATOM 835 CD1 TYR A 107 61.554 -20.277 -4.539 1.00 22.38 C ATOM 836 CD2 TYR A 107 61.107 -21.745 -6.396 1.00 25.33 C ATOM 837 CE1 TYR A 107 62.908 -20.496 -4.646 1.00 27.80 C ATOM 838 CE2 TYR A 107 62.514 -21.956 -6.544 1.00 28.09 C ATOM 839 CZ TYR A 107 63.388 -21.345 -5.622 1.00 26.99 C ATOM 840 OH TYR A 107 64.767 -21.550 -5.665 1.00 35.90 O ATOM 841 HH TYR A 107 65.199 -21.036 -4.937 1.00 0.00 H ATOM 842 H TYR A 107 56.720 -20.370 -4.748 1.00 0.00 H ATOM 843 N LYS A 108 58.938 -19.615 -2.336 1.00 26.32 N ATOM 844 CA LYS A 108 59.495 -19.089 -1.101 1.00 25.00 C ATOM 845 C LYS A 108 59.224 -19.986 0.042 1.00 24.18 C ATOM 846 O LYS A 108 60.132 -20.264 0.784 1.00 26.91 O ATOM 847 CB LYS A 108 59.146 -17.632 -0.828 1.00 29.34 C ATOM 848 CG LYS A 108 59.710 -16.816 -1.977 1.00 26.92 C ATOM 849 CD LYS A 108 59.379 -15.326 -1.922 1.00 30.36 C ATOM 850 CE LYS A 108 60.677 -14.557 -1.933 1.00 36.05 C ATOM 851 NZ LYS A 108 60.362 -13.166 -2.380 1.00 38.44 N ATOM 852 HZ1 LYS A 108 59.945 -13.195 -3.332 1.00 0.00 H ATOM 853 HZ2 LYS A 108 59.686 -12.735 -1.717 1.00 0.00 H ATOM 854 HZ3 LYS A 108 61.236 -12.603 -2.400 1.00 0.00 H ATOM 855 H LYS A 108 58.316 -19.000 -2.899 1.00 0.00 H ATOM 856 N LEU A 109 57.984 -20.383 0.228 1.00 24.76 N ATOM 857 CA LEU A 109 57.602 -21.034 1.466 1.00 24.08 C ATOM 858 C LEU A 109 58.226 -22.456 1.313 1.00 21.64 C ATOM 859 O LEU A 109 58.744 -22.987 2.323 1.00 22.32 O ATOM 860 CB LEU A 109 56.058 -21.229 1.556 1.00 22.20 C ATOM 861 CG LEU A 109 55.682 -22.004 2.822 1.00 26.44 C ATOM 862 CD1 LEU A 109 56.047 -21.116 4.029 1.00 24.48 C ATOM 863 CD2 LEU A 109 54.182 -22.302 2.671 1.00 27.54 C ATOM 864 H LEU A 109 57.274 -20.229 -0.516 1.00 0.00 H ATOM 865 N ALA A 110 58.273 -23.024 0.132 1.00 20.21 N ATOM 866 CA ALA A 110 58.824 -24.435 0.029 1.00 22.17 C ATOM 867 C ALA A 110 60.315 -24.408 0.463 1.00 22.81 C ATOM 868 O ALA A 110 60.771 -25.181 1.293 1.00 22.37 O ATOM 869 CB ALA A 110 58.660 -24.912 -1.394 1.00 23.64 C ATOM 870 H ALA A 110 57.941 -22.520 -0.715 1.00 0.00 H ATOM 871 N LYS A 111 61.104 -23.507 -0.111 1.00 25.02 N ATOM 872 CA LYS A 111 62.521 -23.497 0.204 1.00 22.60 C ATOM 873 C LYS A 111 62.742 -23.182 1.655 1.00 24.82 C ATOM 874 O LYS A 111 63.624 -23.797 2.240 1.00 26.55 O ATOM 875 CB LYS A 111 63.288 -22.613 -0.774 1.00 24.71 C ATOM 876 CG LYS A 111 64.791 -22.476 -0.465 1.00 25.61 C ATOM 877 CD LYS A 111 65.284 -21.177 -1.130 1.00 29.26 C ATOM 878 CE LYS A 111 66.781 -20.991 -1.056 1.00 32.60 C ATOM 879 NZ LYS A 111 66.921 -19.629 -1.701 1.00 30.28 N ATOM 880 HZ1 LYS A 111 66.550 -19.667 -2.672 1.00 0.00 H ATOM 881 HZ2 LYS A 111 66.384 -18.929 -1.151 1.00 0.00 H ATOM 882 HZ3 LYS A 111 67.925 -19.358 -1.722 1.00 0.00 H ATOM 883 H LYS A 111 60.710 -22.815 -0.780 1.00 0.00 H ATOM 884 N LYS A 112 61.945 -22.287 2.246 1.00 21.11 N ATOM 885 CA LYS A 112 62.084 -21.888 3.649 1.00 21.86 C ATOM 886 C LYS A 112 61.752 -23.123 4.517 1.00 22.51 C ATOM 887 O LYS A 112 62.535 -23.550 5.425 1.00 24.93 O ATOM 888 CB LYS A 112 61.133 -20.787 4.031 1.00 27.19 C ATOM 889 CG LYS A 112 61.365 -20.357 5.443 1.00 31.52 C ATOM 890 CD LYS A 112 60.503 -19.193 5.917 1.00 29.30 C ATOM 891 CE LYS A 112 61.138 -18.540 7.162 1.00 36.70 C ATOM 892 NZ LYS A 112 60.170 -17.835 8.054 1.00 43.21 N ATOM 893 HZ1 LYS A 112 59.699 -17.076 7.521 1.00 0.00 H ATOM 894 HZ2 LYS A 112 59.459 -18.513 8.397 1.00 0.00 H ATOM 895 HZ3 LYS A 112 60.680 -17.427 8.863 1.00 0.00 H ATOM 896 H LYS A 112 61.188 -21.852 1.682 1.00 0.00 H ATOM 897 N ILE A 113 60.557 -23.633 4.368 1.00 24.38 N ATOM 898 CA ILE A 113 60.211 -24.833 5.200 1.00 23.93 C ATOM 899 C ILE A 113 61.070 -26.109 4.969 1.00 20.68 C ATOM 900 O ILE A 113 61.257 -26.940 5.877 1.00 20.11 O ATOM 901 CB ILE A 113 58.659 -25.177 5.140 1.00 23.41 C ATOM 902 CG1 ILE A 113 58.283 -25.953 3.889 1.00 22.13 C ATOM 903 CG2 ILE A 113 57.768 -23.957 5.561 1.00 25.40 C ATOM 904 CD1 ILE A 113 56.814 -26.320 3.827 1.00 18.45 C ATOM 905 H ILE A 113 59.874 -23.223 3.700 1.00 0.00 H ATOM 906 N LEU A 114 61.603 -26.314 3.761 1.00 22.52 N ATOM 907 CA LEU A 114 62.483 -27.490 3.557 1.00 18.75 C ATOM 908 C LEU A 114 63.719 -27.447 4.499 1.00 20.78 C ATOM 909 O LEU A 114 64.047 -28.395 5.251 1.00 18.74 O ATOM 910 CB LEU A 114 63.002 -27.522 2.083 1.00 20.05 C ATOM 911 CG LEU A 114 64.053 -28.558 1.794 1.00 19.72 C ATOM 912 CD1 LEU A 114 63.591 -30.039 1.952 1.00 22.49 C ATOM 913 CD2 LEU A 114 64.669 -28.259 0.378 1.00 19.68 C ATOM 914 H LEU A 114 61.404 -25.660 2.977 1.00 0.00 H ATOM 915 N HIS A 115 64.429 -26.308 4.534 1.00 19.87 N ATOM 916 CA HIS A 115 65.618 -26.235 5.264 1.00 18.70 C ATOM 917 C HIS A 115 65.238 -26.228 6.763 1.00 20.49 C ATOM 918 O HIS A 115 65.953 -26.835 7.583 1.00 20.52 O ATOM 919 CB HIS A 115 66.353 -24.951 4.812 1.00 19.60 C ATOM 920 CG HIS A 115 67.030 -25.111 3.496 1.00 18.67 C ATOM 921 ND1 HIS A 115 68.392 -25.299 3.408 1.00 19.90 N ATOM 922 CD2 HIS A 115 66.565 -25.049 2.217 1.00 21.69 C ATOM 923 CE1 HIS A 115 68.751 -25.321 2.135 1.00 23.19 C ATOM 924 NE2 HIS A 115 67.653 -25.227 1.402 1.00 21.73 N ATOM 925 H HIS A 115 64.091 -25.473 4.014 1.00 0.00 H ATOM 926 N ALA A 116 64.205 -25.454 7.121 1.00 20.52 N ATOM 927 CA ALA A 116 63.840 -25.352 8.618 1.00 22.54 C ATOM 928 C ALA A 116 63.301 -26.723 9.092 1.00 23.47 C ATOM 929 O ALA A 116 63.619 -27.198 10.224 1.00 24.50 O ATOM 930 CB ALA A 116 62.770 -24.265 8.768 1.00 23.67 C ATOM 931 H ALA A 116 63.660 -24.932 6.405 1.00 0.00 H ATOM 932 N GLY A 117 62.415 -27.353 8.290 1.00 20.36 N ATOM 933 CA GLY A 117 61.981 -28.667 8.727 1.00 21.22 C ATOM 934 C GLY A 117 63.034 -29.679 8.872 1.00 23.07 C ATOM 935 O GLY A 117 63.031 -30.427 9.848 1.00 25.38 O ATOM 936 H GLY A 117 62.065 -26.922 7.411 1.00 0.00 H ATOM 937 N PHE A 118 64.032 -29.744 8.001 1.00 21.26 N ATOM 938 CA PHE A 118 65.163 -30.643 8.232 1.00 22.02 C ATOM 939 C PHE A 118 65.943 -30.262 9.508 1.00 23.89 C ATOM 940 O PHE A 118 66.304 -31.149 10.301 1.00 23.74 O ATOM 941 CB PHE A 118 66.086 -30.694 7.011 1.00 21.98 C ATOM 942 CG PHE A 118 65.774 -31.821 6.006 1.00 21.81 C ATOM 943 CD1 PHE A 118 64.573 -31.824 5.253 1.00 23.00 C ATOM 944 CD2 PHE A 118 66.667 -32.855 5.779 1.00 23.77 C ATOM 945 CE1 PHE A 118 64.301 -32.851 4.355 1.00 25.01 C ATOM 946 CE2 PHE A 118 66.358 -33.918 4.833 1.00 23.92 C ATOM 947 CZ PHE A 118 65.157 -33.903 4.185 1.00 22.64 C ATOM 948 H PHE A 118 64.011 -29.151 7.147 1.00 0.00 H ATOM 949 N LYS A 119 66.085 -28.973 9.830 1.00 23.42 N ATOM 950 CA LYS A 119 66.860 -28.627 11.041 1.00 26.39 C ATOM 951 C LYS A 119 66.026 -29.066 12.268 1.00 28.14 C ATOM 952 O LYS A 119 66.528 -29.683 13.256 1.00 32.36 O ATOM 953 CB LYS A 119 67.137 -27.164 11.034 1.00 25.39 C ATOM 954 CG LYS A 119 68.412 -26.945 10.201 1.00 25.86 C ATOM 955 CD LYS A 119 68.612 -25.452 10.019 1.00 29.08 C ATOM 956 CE LYS A 119 70.063 -25.163 9.707 1.00 30.20 C ATOM 957 NZ LYS A 119 70.429 -23.703 9.669 1.00 37.34 N ATOM 958 HZ1 LYS A 119 69.866 -23.225 8.937 1.00 0.00 H ATOM 959 HZ2 LYS A 119 70.232 -23.273 10.595 1.00 0.00 H ATOM 960 HZ3 LYS A 119 71.441 -23.606 9.448 1.00 0.00 H ATOM 961 H LYS A 119 65.659 -28.229 9.241 1.00 0.00 H ATOM 962 N MET A 120 64.715 -28.827 12.173 1.00 26.46 N ATOM 963 CA MET A 120 63.759 -29.102 13.259 1.00 25.65 C ATOM 964 C MET A 120 63.788 -30.557 13.592 1.00 26.38 C ATOM 965 O MET A 120 63.711 -30.940 14.791 1.00 31.46 O ATOM 966 CB MET A 120 62.347 -28.623 12.894 1.00 27.87 C ATOM 967 CG MET A 120 61.245 -28.896 13.933 1.00 29.29 C ATOM 968 SD MET A 120 60.517 -30.527 13.778 1.00 30.16 S ATOM 969 CE MET A 120 59.679 -30.521 12.235 1.00 28.89 C ATOM 970 H MET A 120 64.350 -28.426 11.286 1.00 0.00 H ATOM 971 N MET A 121 63.843 -31.410 12.561 1.00 28.52 N ATOM 972 CA MET A 121 63.808 -32.882 12.708 1.00 25.04 C ATOM 973 C MET A 121 65.199 -33.478 12.693 1.00 32.59 C ATOM 974 O MET A 121 65.392 -34.594 12.220 1.00 37.83 O ATOM 975 CB MET A 121 63.152 -33.608 11.533 1.00 25.33 C ATOM 976 CG MET A 121 61.762 -33.150 11.155 1.00 26.50 C ATOM 977 SD MET A 121 61.009 -34.074 9.816 1.00 26.42 S ATOM 978 CE MET A 121 61.641 -33.006 8.517 1.00 23.24 C ATOM 979 H MET A 121 63.914 -31.015 11.602 1.00 0.00 H ATOM 980 N SER A 122 66.194 -32.748 13.117 1.00 29.65 N ATOM 981 CA SER A 122 67.397 -33.476 13.405 1.00 37.68 C ATOM 982 C SER A 122 67.727 -33.370 14.880 1.00 32.81 C ATOM 983 O SER A 122 68.825 -33.698 15.201 1.00 36.45 O ATOM 984 CB SER A 122 68.561 -33.042 12.487 1.00 43.55 C ATOM 985 OG SER A 122 68.405 -33.624 11.189 1.00 48.01 O ATOM 986 HG SER A 122 67.549 -33.323 10.794 1.00 0.00 H ATOM 987 H SER A 122 66.121 -31.718 13.237 1.00 0.00 H TER 988 SER A 122 ATOM 989 N THR B 23 52.113 6.981 -44.740 1.00 42.10 N ATOM 990 CA THR B 23 53.611 7.078 -44.797 1.00 34.57 C ATOM 991 C THR B 23 54.350 5.788 -45.232 1.00 35.61 C ATOM 992 O THR B 23 53.935 4.580 -44.918 1.00 30.77 O ATOM 993 CB THR B 23 54.253 7.525 -43.461 1.00 41.21 C ATOM 994 OG1 THR B 23 54.276 6.409 -42.562 1.00 37.93 O ATOM 995 CG2 THR B 23 53.514 8.664 -42.814 1.00 43.40 C ATOM 996 HG1 THR B 23 53.350 6.097 -42.402 1.00 0.00 H ATOM 997 HN3 THR B 23 51.840 6.244 -44.059 1.00 0.00 H ATOM 998 HN2 THR B 23 51.747 6.737 -45.682 1.00 0.00 H ATOM 999 HN1 THR B 23 51.719 7.895 -44.439 1.00 0.00 H ATOM 1000 N PRO B 24 55.497 6.005 -45.911 1.00 34.64 N ATOM 1001 CA PRO B 24 56.221 4.833 -46.324 1.00 32.94 C ATOM 1002 C PRO B 24 56.673 4.064 -45.152 1.00 29.53 C ATOM 1003 O PRO B 24 56.652 2.842 -45.272 1.00 29.25 O ATOM 1004 CB PRO B 24 57.449 5.361 -47.056 1.00 29.79 C ATOM 1005 CG PRO B 24 57.168 6.836 -47.357 1.00 34.06 C ATOM 1006 CD PRO B 24 56.076 7.288 -46.401 1.00 34.58 C ATOM 1007 N ILE B 25 57.065 4.659 -43.998 1.00 29.17 N ATOM 1008 CA ILE B 25 57.494 3.721 -42.928 1.00 27.71 C ATOM 1009 C ILE B 25 56.323 2.843 -42.452 1.00 25.02 C ATOM 1010 O ILE B 25 56.507 1.609 -42.112 1.00 25.40 O ATOM 1011 CB ILE B 25 58.291 4.335 -41.745 1.00 27.90 C ATOM 1012 CG1 ILE B 25 59.002 3.177 -40.962 1.00 28.78 C ATOM 1013 CG2 ILE B 25 57.440 5.358 -40.924 1.00 34.16 C ATOM 1014 CD1 ILE B 25 60.025 3.539 -39.910 1.00 32.66 C ATOM 1015 H ILE B 25 57.065 5.691 -43.872 1.00 0.00 H ATOM 1016 N GLN B 26 55.123 3.416 -42.413 1.00 29.21 N ATOM 1017 CA GLN B 26 53.938 2.627 -42.067 1.00 25.46 C ATOM 1018 C GLN B 26 53.744 1.370 -42.984 1.00 25.97 C ATOM 1019 O GLN B 26 53.477 0.298 -42.410 1.00 26.96 O ATOM 1020 CB GLN B 26 52.639 3.450 -42.104 1.00 29.70 C ATOM 1021 CG GLN B 26 52.589 4.456 -40.984 1.00 32.39 C ATOM 1022 CD GLN B 26 51.369 5.391 -41.006 1.00 35.97 C ATOM 1023 OE1 GLN B 26 50.990 5.899 -42.057 1.00 39.28 O ATOM 1024 NE2 GLN B 26 50.824 5.702 -39.840 1.00 35.68 N ATOM 1025 HE22 GLN B 26 51.169 5.252 -38.968 1.00 0.00 H ATOM 1026 HE21 GLN B 26 50.051 6.396 -39.796 1.00 0.00 H ATOM 1027 H GLN B 26 55.026 4.429 -42.629 1.00 0.00 H ATOM 1028 N GLN B 27 53.906 1.452 -44.342 1.00 24.56 N ATOM 1029 CA GLN B 27 53.779 0.249 -45.191 1.00 26.59 C ATOM 1030 C GLN B 27 54.828 -0.797 -44.895 1.00 25.58 C ATOM 1031 O GLN B 27 54.557 -2.022 -44.965 1.00 26.93 O ATOM 1032 CB GLN B 27 53.815 0.494 -46.741 1.00 28.44 C ATOM 1033 CG GLN B 27 52.739 1.351 -47.313 1.00 35.42 C ATOM 1034 CD GLN B 27 53.099 1.742 -48.783 1.00 38.97 C ATOM 1035 OE1 GLN B 27 53.370 0.850 -49.634 1.00 43.13 O ATOM 1036 NE2 GLN B 27 53.184 3.072 -49.072 1.00 41.75 N ATOM 1037 HE22 GLN B 27 52.953 3.778 -48.344 1.00 0.00 H ATOM 1038 HE21 GLN B 27 53.480 3.380 -50.020 1.00 0.00 H ATOM 1039 H GLN B 27 54.121 2.371 -44.780 1.00 0.00 H ATOM 1040 N LEU B 28 56.066 -0.369 -44.628 1.00 25.70 N ATOM 1041 CA LEU B 28 57.115 -1.274 -44.263 1.00 21.04 C ATOM 1042 C LEU B 28 56.851 -2.020 -42.960 1.00 19.31 C ATOM 1043 O LEU B 28 57.092 -3.209 -42.850 1.00 21.15 O ATOM 1044 CB LEU B 28 58.469 -0.513 -44.235 1.00 22.23 C ATOM 1045 CG LEU B 28 59.679 -1.207 -43.731 1.00 20.95 C ATOM 1046 CD1 LEU B 28 59.933 -2.436 -44.693 1.00 22.62 C ATOM 1047 CD2 LEU B 28 61.005 -0.463 -43.537 1.00 23.91 C ATOM 1048 H LEU B 28 56.273 0.648 -44.687 1.00 0.00 H ATOM 1049 N LEU B 29 56.472 -1.228 -41.989 1.00 18.94 N ATOM 1050 CA LEU B 29 56.194 -1.887 -40.706 1.00 18.67 C ATOM 1051 C LEU B 29 55.003 -2.779 -40.671 1.00 21.15 C ATOM 1052 O LEU B 29 55.057 -3.794 -39.925 1.00 21.85 O ATOM 1053 CB LEU B 29 56.189 -0.941 -39.499 1.00 21.71 C ATOM 1054 CG LEU B 29 57.378 0.004 -39.315 1.00 25.37 C ATOM 1055 CD1 LEU B 29 57.118 0.867 -38.078 1.00 22.37 C ATOM 1056 CD2 LEU B 29 58.665 -0.759 -39.144 1.00 22.04 C ATOM 1057 H LEU B 29 56.374 -0.201 -42.117 1.00 0.00 H ATOM 1058 N GLU B 30 53.942 -2.401 -41.368 1.00 23.54 N ATOM 1059 CA GLU B 30 52.785 -3.279 -41.578 1.00 22.79 C ATOM 1060 C GLU B 30 53.122 -4.574 -42.258 1.00 23.77 C ATOM 1061 O GLU B 30 52.712 -5.668 -41.854 1.00 26.28 O ATOM 1062 CB GLU B 30 51.679 -2.546 -42.304 1.00 25.41 C ATOM 1063 CG GLU B 30 51.318 -1.270 -41.617 1.00 28.91 C ATOM 1064 CD GLU B 30 50.007 -1.279 -40.853 1.00 39.00 C ATOM 1065 OE1 GLU B 30 49.535 -2.382 -40.480 1.00 42.31 O ATOM 1066 OE2 GLU B 30 49.443 -0.166 -40.655 1.00 41.71 O ATOM 1067 H GLU B 30 53.928 -1.447 -41.782 1.00 0.00 H ATOM 1068 N HIS B 31 53.968 -4.539 -43.259 1.00 22.71 N ATOM 1069 CA HIS B 31 54.444 -5.772 -43.865 1.00 23.52 C ATOM 1070 C HIS B 31 55.229 -6.575 -42.854 1.00 23.67 C ATOM 1071 O HIS B 31 55.027 -7.823 -42.771 1.00 24.50 O ATOM 1072 CB HIS B 31 55.364 -5.437 -45.043 1.00 25.72 C ATOM 1073 CG HIS B 31 55.910 -6.659 -45.704 1.00 26.43 C ATOM 1074 ND1 HIS B 31 55.168 -7.433 -46.563 1.00 32.43 N ATOM 1075 CD2 HIS B 31 57.124 -7.252 -45.608 1.00 29.53 C ATOM 1076 CE1 HIS B 31 55.888 -8.464 -46.951 1.00 34.07 C ATOM 1077 NE2 HIS B 31 57.086 -8.366 -46.403 1.00 35.42 N ATOM 1078 H HIS B 31 54.301 -3.623 -43.622 1.00 0.00 H ATOM 1079 N PHE B 32 56.183 -5.969 -42.125 1.00 22.49 N ATOM 1080 CA PHE B 32 56.912 -6.755 -41.144 1.00 21.64 C ATOM 1081 C PHE B 32 55.953 -7.318 -40.074 1.00 20.75 C ATOM 1082 O PHE B 32 56.099 -8.514 -39.753 1.00 23.43 O ATOM 1083 CB PHE B 32 58.017 -6.001 -40.432 1.00 23.29 C ATOM 1084 CG PHE B 32 59.189 -5.678 -41.278 1.00 23.50 C ATOM 1085 CD1 PHE B 32 59.519 -6.451 -42.336 1.00 24.74 C ATOM 1086 CD2 PHE B 32 60.037 -4.635 -40.884 1.00 23.21 C ATOM 1087 CE1 PHE B 32 60.636 -6.108 -43.093 1.00 25.90 C ATOM 1088 CE2 PHE B 32 61.152 -4.300 -41.617 1.00 21.98 C ATOM 1089 CZ PHE B 32 61.465 -5.056 -42.719 1.00 24.47 C ATOM 1090 H PHE B 32 56.394 -4.960 -42.260 1.00 0.00 H ATOM 1091 N LEU B 33 55.020 -6.479 -39.589 1.00 19.22 N ATOM 1092 CA LEU B 33 54.070 -6.952 -38.544 1.00 21.18 C ATOM 1093 C LEU B 33 53.274 -8.114 -39.009 1.00 21.87 C ATOM 1094 O LEU B 33 53.158 -9.112 -38.178 1.00 22.63 O ATOM 1095 CB LEU B 33 53.141 -5.853 -38.093 1.00 22.58 C ATOM 1096 CG LEU B 33 52.135 -6.257 -36.965 1.00 23.08 C ATOM 1097 CD1 LEU B 33 52.848 -6.668 -35.745 1.00 23.81 C ATOM 1098 CD2 LEU B 33 51.190 -5.138 -36.644 1.00 27.74 C ATOM 1099 H LEU B 33 54.962 -5.503 -39.943 1.00 0.00 H ATOM 1100 N ARG B 34 52.799 -8.108 -40.268 1.00 24.02 N ATOM 1101 CA ARG B 34 52.151 -9.228 -40.848 1.00 24.41 C ATOM 1102 C ARG B 34 53.029 -10.503 -40.924 1.00 28.19 C ATOM 1103 O ARG B 34 52.556 -11.667 -40.554 1.00 25.40 O ATOM 1104 CB ARG B 34 51.692 -8.845 -42.277 1.00 29.63 C ATOM 1105 CG ARG B 34 50.293 -8.284 -42.358 1.00 29.07 C ATOM 1106 CD ARG B 34 49.745 -8.087 -43.812 1.00 31.76 C ATOM 1107 NE ARG B 34 50.666 -7.370 -44.718 1.00 34.47 N ATOM 1108 CZ ARG B 34 50.751 -6.046 -44.884 1.00 35.78 C ATOM 1109 NH1 ARG B 34 49.926 -5.193 -44.253 1.00 34.99 N ATOM 1110 NH2 ARG B 34 51.657 -5.588 -45.718 1.00 38.20 N ATOM 1111 HE ARG B 34 51.314 -7.954 -45.284 1.00 0.00 H ATOM 1112 HH12 ARG B 34 50.021 -4.169 -44.406 1.00 0.00 H ATOM 1113 HH11 ARG B 34 49.193 -5.557 -43.612 1.00 0.00 H ATOM 1114 HH22 ARG B 34 51.752 -4.564 -45.872 1.00 0.00 H ATOM 1115 HH21 ARG B 34 52.280 -6.250 -46.224 1.00 0.00 H ATOM 1116 H ARG B 34 52.912 -7.246 -40.839 1.00 0.00 H ATOM 1117 N GLN B 35 54.278 -10.391 -41.403 1.00 25.96 N ATOM 1118 CA GLN B 35 55.114 -11.628 -41.506 1.00 26.99 C ATOM 1119 C GLN B 35 55.424 -12.184 -40.103 1.00 22.53 C ATOM 1120 O GLN B 35 55.452 -13.455 -39.893 1.00 27.96 O ATOM 1121 CB GLN B 35 56.422 -11.529 -42.355 1.00 30.87 C ATOM 1122 CG GLN B 35 56.199 -11.169 -43.836 1.00 34.73 C ATOM 1123 CD GLN B 35 57.348 -11.594 -44.785 1.00 42.26 C ATOM 1124 OE1 GLN B 35 57.214 -11.539 -46.024 1.00 45.68 O ATOM 1125 NE2 GLN B 35 58.480 -11.978 -44.227 1.00 35.94 N ATOM 1126 HE22 GLN B 35 58.563 -12.014 -43.191 1.00 0.00 H ATOM 1127 HE21 GLN B 35 59.289 -12.244 -44.823 1.00 0.00 H ATOM 1128 H GLN B 35 54.656 -9.467 -41.695 1.00 0.00 H ATOM 1129 N LEU B 36 55.480 -11.292 -39.102 1.00 23.89 N ATOM 1130 CA LEU B 36 55.709 -11.752 -37.753 1.00 24.07 C ATOM 1131 C LEU B 36 54.496 -12.494 -37.184 1.00 25.11 C ATOM 1132 O LEU B 36 54.679 -13.497 -36.496 1.00 26.31 O ATOM 1133 CB LEU B 36 56.089 -10.584 -36.789 1.00 23.43 C ATOM 1134 CG LEU B 36 57.420 -9.969 -37.080 1.00 22.62 C ATOM 1135 CD1 LEU B 36 57.642 -8.578 -36.454 1.00 21.93 C ATOM 1136 CD2 LEU B 36 58.520 -11.048 -36.987 1.00 21.16 C ATOM 1137 H LEU B 36 55.359 -10.278 -39.297 1.00 0.00 H ATOM 1138 N GLN B 37 53.277 -12.031 -37.513 1.00 24.75 N ATOM 1139 CA GLN B 37 52.087 -12.534 -36.794 1.00 22.51 C ATOM 1140 C GLN B 37 51.833 -13.900 -37.346 1.00 29.08 C ATOM 1141 O GLN B 37 51.290 -14.720 -36.658 1.00 27.15 O ATOM 1142 CB GLN B 37 50.834 -11.770 -37.093 1.00 25.19 C ATOM 1143 CG GLN B 37 50.837 -10.523 -36.248 1.00 24.04 C ATOM 1144 CD GLN B 37 49.444 -10.053 -35.710 1.00 30.53 C ATOM 1145 OE1 GLN B 37 48.982 -9.084 -36.218 1.00 32.87 O ATOM 1146 NE2 GLN B 37 48.841 -10.676 -34.676 1.00 32.01 N ATOM 1147 HE22 GLN B 37 49.274 -11.523 -34.255 1.00 0.00 H ATOM 1148 HE21 GLN B 37 47.943 -10.309 -34.300 1.00 0.00 H ATOM 1149 H GLN B 37 53.172 -11.324 -38.268 1.00 0.00 H ATOM 1150 N ARG B 38 52.279 -14.171 -38.575 1.00 26.97 N ATOM 1151 CA ARG B 38 52.036 -15.430 -39.252 1.00 27.83 C ATOM 1152 C ARG B 38 52.777 -16.528 -38.569 1.00 26.86 C ATOM 1153 O ARG B 38 52.449 -17.699 -38.831 1.00 30.40 O ATOM 1154 CB ARG B 38 52.511 -15.386 -40.733 1.00 32.27 C ATOM 1155 CG ARG B 38 51.514 -14.663 -41.621 1.00 40.55 C ATOM 1156 CD ARG B 38 51.723 -14.958 -43.093 1.00 42.59 C ATOM 1157 NE ARG B 38 51.845 -16.407 -43.380 1.00 51.83 N ATOM 1158 CZ ARG B 38 53.004 -17.045 -43.584 1.00 54.00 C ATOM 1159 NH1 ARG B 38 53.021 -18.346 -43.837 1.00 54.85 N ATOM 1160 NH2 ARG B 38 54.155 -16.381 -43.534 1.00 54.87 N ATOM 1161 HE ARG B 38 50.970 -16.967 -43.426 1.00 0.00 H ATOM 1162 HH12 ARG B 38 53.926 -18.833 -43.994 1.00 0.00 H ATOM 1163 HH11 ARG B 38 52.129 -18.879 -43.878 1.00 0.00 H ATOM 1164 HH22 ARG B 38 55.052 -16.883 -43.693 1.00 0.00 H ATOM 1165 HH21 ARG B 38 54.158 -15.360 -43.335 1.00 0.00 H ATOM 1166 H ARG B 38 52.829 -13.442 -39.072 1.00 0.00 H ATOM 1167 N LYS B 39 53.800 -16.129 -37.777 1.00 25.44 N ATOM 1168 CA LYS B 39 54.588 -17.046 -37.001 1.00 23.33 C ATOM 1169 C LYS B 39 53.829 -17.474 -35.776 1.00 26.19 C ATOM 1170 O LYS B 39 54.346 -18.337 -35.109 1.00 29.44 O ATOM 1171 CB LYS B 39 55.973 -16.515 -36.616 1.00 27.25 C ATOM 1172 CG LYS B 39 56.754 -15.986 -37.798 1.00 30.16 C ATOM 1173 CD LYS B 39 58.212 -15.916 -37.413 1.00 31.79 C ATOM 1174 CE LYS B 39 58.947 -14.925 -38.330 1.00 35.51 C ATOM 1175 NZ LYS B 39 59.127 -15.557 -39.670 1.00 39.60 N ATOM 1176 HZ1 LYS B 39 59.687 -16.428 -39.569 1.00 0.00 H ATOM 1177 HZ2 LYS B 39 58.196 -15.787 -40.071 1.00 0.00 H ATOM 1178 HZ3 LYS B 39 59.624 -14.895 -40.300 1.00 0.00 H ATOM 1179 H LYS B 39 54.025 -15.115 -37.728 1.00 0.00 H ATOM 1180 N ASP B 40 52.682 -16.807 -35.470 1.00 26.41 N ATOM 1181 CA ASP B 40 51.982 -17.002 -34.139 1.00 24.10 C ATOM 1182 C ASP B 40 50.563 -17.417 -34.482 1.00 23.85 C ATOM 1183 O ASP B 40 49.636 -16.654 -34.346 1.00 23.35 O ATOM 1184 CB ASP B 40 52.096 -15.688 -33.263 1.00 21.52 C ATOM 1185 CG ASP B 40 51.103 -15.672 -32.015 1.00 21.27 C ATOM 1186 OD1 ASP B 40 50.893 -16.767 -31.388 1.00 26.84 O ATOM 1187 OD2 ASP B 40 50.686 -14.507 -31.650 1.00 26.46 O ATOM 1188 H ASP B 40 52.277 -16.148 -36.165 1.00 0.00 H ATOM 1189 N PRO B 41 50.395 -18.687 -35.008 1.00 25.73 N ATOM 1190 CA PRO B 41 49.073 -19.062 -35.591 1.00 26.85 C ATOM 1191 C PRO B 41 48.005 -19.199 -34.483 1.00 25.12 C ATOM 1192 O PRO B 41 46.819 -19.170 -34.814 1.00 28.22 O ATOM 1193 CB PRO B 41 49.337 -20.401 -36.258 1.00 29.06 C ATOM 1194 CG PRO B 41 50.666 -20.882 -35.711 1.00 27.00 C ATOM 1195 CD PRO B 41 51.443 -19.709 -35.232 1.00 25.33 C ATOM 1196 N HIS B 42 48.419 -19.376 -33.198 1.00 26.60 N ATOM 1197 CA HIS B 42 47.399 -19.410 -32.128 1.00 25.78 C ATOM 1198 C HIS B 42 47.059 -18.076 -31.554 1.00 25.15 C ATOM 1199 O HIS B 42 46.131 -17.961 -30.785 1.00 26.20 O ATOM 1200 CB HIS B 42 47.849 -20.273 -30.956 1.00 24.70 C ATOM 1201 CG HIS B 42 47.928 -21.723 -31.262 1.00 29.08 C ATOM 1202 ND1 HIS B 42 46.816 -22.509 -31.312 1.00 33.37 N ATOM 1203 CD2 HIS B 42 48.983 -22.519 -31.513 1.00 27.35 C ATOM 1204 CE1 HIS B 42 47.167 -23.756 -31.560 1.00 33.71 C ATOM 1205 NE2 HIS B 42 48.480 -23.792 -31.689 1.00 28.43 N ATOM 1206 H HIS B 42 49.429 -19.485 -32.974 1.00 0.00 H ATOM 1207 N GLY B 43 47.790 -17.072 -31.967 1.00 22.88 N ATOM 1208 CA GLY B 43 47.558 -15.771 -31.386 1.00 23.21 C ATOM 1209 C GLY B 43 47.923 -15.558 -29.943 1.00 21.92 C ATOM 1210 O GLY B 43 47.286 -14.688 -29.318 1.00 22.51 O ATOM 1211 H GLY B 43 48.520 -17.208 -32.695 1.00 0.00 H ATOM 1212 N PHE B 44 48.943 -16.294 -29.461 1.00 21.98 N ATOM 1213 CA PHE B 44 49.436 -16.109 -28.127 1.00 22.08 C ATOM 1214 C PHE B 44 49.898 -14.654 -27.951 1.00 19.64 C ATOM 1215 O PHE B 44 49.835 -14.060 -26.835 1.00 21.50 O ATOM 1216 CB PHE B 44 50.548 -17.099 -27.915 1.00 24.60 C ATOM 1217 CG PHE B 44 50.122 -18.579 -27.942 1.00 23.20 C ATOM 1218 CD1 PHE B 44 48.889 -19.052 -27.465 1.00 25.63 C ATOM 1219 CD2 PHE B 44 51.054 -19.447 -28.429 1.00 25.36 C ATOM 1220 CE1 PHE B 44 48.635 -20.452 -27.435 1.00 24.76 C ATOM 1221 CE2 PHE B 44 50.782 -20.842 -28.397 1.00 27.76 C ATOM 1222 CZ PHE B 44 49.584 -21.281 -27.959 1.00 30.24 C ATOM 1223 H PHE B 44 49.383 -17.013 -30.070 1.00 0.00 H ATOM 1224 N PHE B 45 50.418 -14.053 -29.064 1.00 18.06 N ATOM 1225 CA PHE B 45 50.866 -12.640 -29.024 1.00 20.82 C ATOM 1226 C PHE B 45 49.991 -11.605 -29.530 1.00 19.08 C ATOM 1227 O PHE B 45 50.340 -10.337 -29.569 1.00 19.19 O ATOM 1228 CB PHE B 45 52.278 -12.513 -29.577 1.00 18.92 C ATOM 1229 CG PHE B 45 53.267 -13.406 -28.877 1.00 21.85 C ATOM 1230 CD1 PHE B 45 53.783 -13.024 -27.686 1.00 25.11 C ATOM 1231 CD2 PHE B 45 53.726 -14.605 -29.460 1.00 24.50 C ATOM 1232 CE1 PHE B 45 54.727 -13.838 -27.046 1.00 28.75 C ATOM 1233 CE2 PHE B 45 54.602 -15.471 -28.786 1.00 27.73 C ATOM 1234 CZ PHE B 45 55.058 -15.098 -27.537 1.00 28.83 C ATOM 1235 H PHE B 45 50.500 -14.593 -29.949 1.00 0.00 H ATOM 1236 N ALA B 46 48.735 -11.989 -29.791 1.00 17.40 N ATOM 1237 CA ALA B 46 47.810 -11.036 -30.451 1.00 19.54 C ATOM 1238 C ALA B 46 47.322 -9.854 -29.619 1.00 19.48 C ATOM 1239 O ALA B 46 47.093 -8.750 -30.181 1.00 23.54 O ATOM 1240 CB ALA B 46 46.642 -11.762 -31.077 1.00 21.18 C ATOM 1241 H ALA B 46 48.412 -12.944 -29.534 1.00 0.00 H ATOM 1242 N PHE B 47 47.062 -10.121 -28.320 1.00 19.77 N ATOM 1243 CA PHE B 47 46.436 -9.187 -27.434 1.00 20.41 C ATOM 1244 C PHE B 47 47.175 -9.092 -26.156 1.00 20.69 C ATOM 1245 O PHE B 47 47.879 -10.039 -25.812 1.00 19.26 O ATOM 1246 CB PHE B 47 44.975 -9.564 -27.194 1.00 22.39 C ATOM 1247 CG PHE B 47 44.179 -9.889 -28.471 1.00 22.70 C ATOM 1248 CD1 PHE B 47 43.869 -8.878 -29.327 1.00 27.86 C ATOM 1249 CD2 PHE B 47 43.848 -11.251 -28.857 1.00 25.00 C ATOM 1250 CE1 PHE B 47 43.125 -9.162 -30.510 1.00 27.34 C ATOM 1251 CE2 PHE B 47 43.155 -11.513 -30.080 1.00 23.61 C ATOM 1252 CZ PHE B 47 42.781 -10.473 -30.856 1.00 27.42 C ATOM 1253 H PHE B 47 47.331 -11.053 -27.945 1.00 0.00 H ATOM 1254 N PRO B 48 46.935 -8.022 -25.370 1.00 20.89 N ATOM 1255 CA PRO B 48 47.473 -7.861 -24.010 1.00 20.16 C ATOM 1256 C PRO B 48 47.251 -9.072 -23.153 1.00 18.70 C ATOM 1257 O PRO B 48 46.130 -9.590 -23.058 1.00 19.24 O ATOM 1258 CB PRO B 48 46.897 -6.529 -23.522 1.00 21.98 C ATOM 1259 CG PRO B 48 46.538 -5.817 -24.827 1.00 22.22 C ATOM 1260 CD PRO B 48 46.151 -6.891 -25.822 1.00 22.73 C ATOM 1261 N VAL B 49 48.286 -9.378 -22.429 1.00 21.10 N ATOM 1262 CA VAL B 49 48.187 -10.447 -21.380 1.00 20.48 C ATOM 1263 C VAL B 49 47.468 -9.877 -20.114 1.00 24.94 C ATOM 1264 O VAL B 49 47.835 -8.790 -19.698 1.00 29.04 O ATOM 1265 CB VAL B 49 49.576 -10.943 -20.942 1.00 22.49 C ATOM 1266 CG1 VAL B 49 49.385 -12.008 -19.866 1.00 24.11 C ATOM 1267 CG2 VAL B 49 50.324 -11.677 -22.023 1.00 23.73 C ATOM 1268 H VAL B 49 49.187 -8.880 -22.577 1.00 0.00 H ATOM 1269 N THR B 50 46.501 -10.552 -19.549 1.00 27.17 N ATOM 1270 CA THR B 50 45.906 -10.026 -18.307 1.00 28.30 C ATOM 1271 C THR B 50 46.249 -10.869 -17.110 1.00 30.81 C ATOM 1272 O THR B 50 46.605 -12.051 -17.252 1.00 27.18 O ATOM 1273 CB THR B 50 44.376 -9.990 -18.307 1.00 28.20 C ATOM 1274 OG1 THR B 50 43.858 -11.324 -18.548 1.00 32.72 O ATOM 1275 CG2 THR B 50 43.808 -8.964 -19.302 1.00 27.84 C ATOM 1276 HG1 THR B 50 44.173 -11.933 -17.834 1.00 0.00 H ATOM 1277 H THR B 50 46.159 -11.441 -19.967 1.00 0.00 H ATOM 1278 N ASP B 51 46.066 -10.290 -15.926 1.00 31.69 N ATOM 1279 CA ASP B 51 46.532 -10.973 -14.774 1.00 33.24 C ATOM 1280 C ASP B 51 45.586 -12.119 -14.503 1.00 31.73 C ATOM 1281 O ASP B 51 45.981 -13.163 -13.932 1.00 32.92 O ATOM 1282 CB ASP B 51 46.611 -10.029 -13.560 1.00 33.36 C ATOM 1283 CG ASP B 51 47.925 -9.274 -13.500 1.00 36.98 C ATOM 1284 OD1 ASP B 51 48.608 -9.149 -14.562 1.00 30.95 O ATOM 1285 OD2 ASP B 51 48.261 -8.785 -12.413 1.00 41.15 O ATOM 1286 H ASP B 51 45.596 -9.366 -15.848 1.00 0.00 H ATOM 1287 N ALA B 52 44.351 -11.941 -14.942 1.00 35.88 N ATOM 1288 CA ALA B 52 43.385 -12.982 -14.834 1.00 38.10 C ATOM 1289 C ALA B 52 43.889 -14.302 -15.470 1.00 31.18 C ATOM 1290 O ALA B 52 43.793 -15.365 -14.823 1.00 37.37 O ATOM 1291 CB ALA B 52 42.033 -12.520 -15.369 1.00 32.73 C ATOM 1292 H ALA B 52 44.083 -11.032 -15.370 1.00 0.00 H ATOM 1293 N ILE B 53 44.500 -14.260 -16.657 1.00 34.59 N ATOM 1294 CA ILE B 53 44.953 -15.491 -17.350 1.00 35.47 C ATOM 1295 C ILE B 53 46.441 -15.855 -17.180 1.00 31.00 C ATOM 1296 O ILE B 53 46.898 -16.903 -17.682 1.00 31.35 O ATOM 1297 CB ILE B 53 44.691 -15.488 -18.858 1.00 36.35 C ATOM 1298 CG1 ILE B 53 45.671 -14.568 -19.634 1.00 36.43 C ATOM 1299 CG2 ILE B 53 43.206 -15.213 -19.097 1.00 36.67 C ATOM 1300 CD1 ILE B 53 46.159 -15.197 -20.923 1.00 36.31 C ATOM 1301 H ILE B 53 44.663 -13.337 -17.109 1.00 0.00 H ATOM 1302 N ALA B 54 47.164 -15.001 -16.446 1.00 30.63 N ATOM 1303 CA ALA B 54 48.592 -15.195 -16.138 1.00 25.59 C ATOM 1304 C ALA B 54 48.832 -14.565 -14.791 1.00 24.68 C ATOM 1305 O ALA B 54 49.211 -13.392 -14.662 1.00 28.06 O ATOM 1306 CB ALA B 54 49.495 -14.584 -17.279 1.00 27.46 C ATOM 1307 H ALA B 54 46.692 -14.153 -16.072 1.00 0.00 H ATOM 1308 N PRO B 55 48.557 -15.324 -13.669 1.00 26.95 N ATOM 1309 CA PRO B 55 48.697 -14.787 -12.344 1.00 27.19 C ATOM 1310 C PRO B 55 50.001 -14.036 -12.076 1.00 25.65 C ATOM 1311 O PRO B 55 51.136 -14.544 -12.352 1.00 28.33 O ATOM 1312 CB PRO B 55 48.644 -16.088 -11.469 1.00 28.08 C ATOM 1313 CG PRO B 55 47.736 -16.991 -12.293 1.00 28.72 C ATOM 1314 CD PRO B 55 48.321 -16.768 -13.668 1.00 28.79 C ATOM 1315 N GLY B 56 49.875 -12.850 -11.483 1.00 28.61 N ATOM 1316 CA GLY B 56 51.034 -12.076 -11.023 1.00 28.42 C ATOM 1317 C GLY B 56 51.762 -11.380 -12.222 1.00 25.99 C ATOM 1318 O GLY B 56 52.831 -10.745 -12.002 1.00 28.26 O ATOM 1319 H GLY B 56 48.922 -12.459 -11.341 1.00 0.00 H ATOM 1320 N TYR B 57 51.151 -11.448 -13.409 1.00 26.76 N ATOM 1321 CA TYR B 57 51.869 -11.192 -14.671 1.00 26.02 C ATOM 1322 C TYR B 57 52.228 -9.701 -14.576 1.00 25.40 C ATOM 1323 O TYR B 57 53.396 -9.352 -14.733 1.00 25.42 O ATOM 1324 CB TYR B 57 50.952 -11.378 -15.899 1.00 22.42 C ATOM 1325 CG TYR B 57 51.632 -10.978 -17.284 1.00 21.99 C ATOM 1326 CD1 TYR B 57 52.387 -11.969 -17.942 1.00 21.21 C ATOM 1327 CD2 TYR B 57 51.579 -9.641 -17.780 1.00 20.33 C ATOM 1328 CE1 TYR B 57 53.131 -11.731 -19.106 1.00 19.95 C ATOM 1329 CE2 TYR B 57 52.263 -9.390 -18.970 1.00 21.38 C ATOM 1330 CZ TYR B 57 53.015 -10.438 -19.570 1.00 18.73 C ATOM 1331 OH TYR B 57 53.773 -10.215 -20.749 1.00 22.35 O ATOM 1332 HH TYR B 57 54.224 -11.056 -21.014 1.00 0.00 H ATOM 1333 H TYR B 57 50.140 -11.688 -13.443 1.00 0.00 H ATOM 1334 N SER B 58 51.251 -8.855 -14.224 1.00 29.22 N ATOM 1335 CA SER B 58 51.510 -7.383 -14.147 1.00 29.14 C ATOM 1336 C SER B 58 52.453 -6.874 -13.039 1.00 34.34 C ATOM 1337 O SER B 58 53.027 -5.779 -13.181 1.00 35.82 O ATOM 1338 CB SER B 58 50.233 -6.567 -14.076 1.00 28.35 C ATOM 1339 OG SER B 58 49.565 -6.714 -12.796 1.00 34.72 O ATOM 1340 HG SER B 58 49.333 -7.666 -12.654 1.00 0.00 H ATOM 1341 H SER B 58 50.304 -9.224 -14.002 1.00 0.00 H ATOM 1342 N MET B 59 52.663 -7.672 -12.003 1.00 35.61 N ATOM 1343 CA MET B 59 53.710 -7.412 -10.988 1.00 40.15 C ATOM 1344 C MET B 59 55.102 -7.750 -11.493 1.00 38.78 C ATOM 1345 O MET B 59 56.113 -7.182 -11.034 1.00 40.02 O ATOM 1346 CB MET B 59 53.406 -8.162 -9.653 1.00 40.32 C ATOM 1347 CG MET B 59 52.202 -7.615 -8.922 1.00 50.03 C ATOM 1348 SD MET B 59 52.217 -5.796 -9.048 1.00 58.68 S ATOM 1349 CE MET B 59 53.563 -5.349 -7.925 1.00 55.24 C ATOM 1350 H MET B 59 52.067 -8.518 -11.898 1.00 0.00 H ATOM 1351 N ILE B 60 55.158 -8.655 -12.469 1.00 31.58 N ATOM 1352 CA ILE B 60 56.417 -9.160 -12.938 1.00 32.38 C ATOM 1353 C ILE B 60 56.886 -8.484 -14.241 1.00 28.19 C ATOM 1354 O ILE B 60 58.056 -8.288 -14.453 1.00 31.61 O ATOM 1355 CB ILE B 60 56.259 -10.620 -13.267 1.00 34.48 C ATOM 1356 CG1 ILE B 60 55.855 -11.399 -12.026 1.00 35.69 C ATOM 1357 CG2 ILE B 60 57.511 -11.162 -13.993 1.00 33.89 C ATOM 1358 CD1 ILE B 60 55.858 -12.864 -12.339 1.00 38.46 C ATOM 1359 H ILE B 60 54.276 -9.001 -12.898 1.00 0.00 H ATOM 1360 N ILE B 61 55.937 -8.093 -15.120 1.00 29.93 N ATOM 1361 CA ILE B 61 56.289 -7.470 -16.406 1.00 27.04 C ATOM 1362 C ILE B 61 55.883 -5.988 -16.332 1.00 27.13 C ATOM 1363 O ILE B 61 54.703 -5.635 -16.434 1.00 31.67 O ATOM 1364 CB ILE B 61 55.569 -8.218 -17.563 1.00 22.20 C ATOM 1365 CG1 ILE B 61 56.001 -9.702 -17.665 1.00 22.95 C ATOM 1366 CG2 ILE B 61 55.559 -7.464 -18.918 1.00 23.15 C ATOM 1367 CD1 ILE B 61 57.508 -9.922 -17.791 1.00 20.74 C ATOM 1368 H ILE B 61 54.935 -8.236 -14.882 1.00 0.00 H ATOM 1369 N LYS B 62 56.827 -5.111 -16.243 1.00 27.44 N ATOM 1370 CA LYS B 62 56.431 -3.752 -15.949 1.00 29.97 C ATOM 1371 C LYS B 62 56.183 -2.971 -17.245 1.00 30.74 C ATOM 1372 O LYS B 62 55.706 -1.840 -17.198 1.00 33.09 O ATOM 1373 CB LYS B 62 57.514 -3.084 -15.124 1.00 37.08 C ATOM 1374 CG LYS B 62 57.719 -3.721 -13.750 1.00 35.49 C ATOM 1375 CD LYS B 62 59.135 -3.496 -13.265 1.00 42.38 C ATOM 1376 CE LYS B 62 59.293 -3.950 -11.807 1.00 40.43 C ATOM 1377 NZ LYS B 62 59.290 -2.762 -10.914 1.00 49.57 N ATOM 1378 HZ1 LYS B 62 60.080 -2.136 -11.170 1.00 0.00 H ATOM 1379 HZ2 LYS B 62 58.391 -2.250 -11.023 1.00 0.00 H ATOM 1380 HZ3 LYS B 62 59.397 -3.072 -9.927 1.00 0.00 H ATOM 1381 H LYS B 62 57.825 -5.370 -16.377 1.00 0.00 H ATOM 1382 N HIS B 63 56.537 -3.550 -18.393 1.00 27.94 N ATOM 1383 CA HIS B 63 56.217 -2.919 -19.631 1.00 27.49 C ATOM 1384 C HIS B 63 55.622 -3.885 -20.688 1.00 23.29 C ATOM 1385 O HIS B 63 56.348 -4.451 -21.597 1.00 23.29 O ATOM 1386 CB HIS B 63 57.376 -2.077 -20.236 1.00 26.54 C ATOM 1387 CG HIS B 63 57.860 -1.039 -19.263 1.00 30.38 C ATOM 1388 ND1 HIS B 63 57.073 0.015 -18.878 1.00 31.12 N ATOM 1389 CD2 HIS B 63 59.001 -0.953 -18.546 1.00 32.25 C ATOM 1390 CE1 HIS B 63 57.706 0.713 -17.952 1.00 31.14 C ATOM 1391 NE2 HIS B 63 58.878 0.142 -17.737 1.00 27.49 N ATOM 1392 H HIS B 63 57.044 -4.458 -18.385 1.00 0.00 H ATOM 1393 N PRO B 64 54.298 -3.995 -20.667 1.00 24.21 N ATOM 1394 CA PRO B 64 53.663 -4.992 -21.519 1.00 23.71 C ATOM 1395 C PRO B 64 53.688 -4.639 -23.021 1.00 21.17 C ATOM 1396 O PRO B 64 53.711 -3.446 -23.422 1.00 22.86 O ATOM 1397 CB PRO B 64 52.173 -5.064 -21.053 1.00 21.12 C ATOM 1398 CG PRO B 64 52.034 -3.891 -20.034 1.00 27.04 C ATOM 1399 CD PRO B 64 53.378 -3.325 -19.713 1.00 23.91 C ATOM 1400 N MET B 65 53.761 -5.674 -23.838 1.00 18.14 N ATOM 1401 CA MET B 65 53.585 -5.399 -25.290 1.00 19.39 C ATOM 1402 C MET B 65 53.025 -6.591 -25.977 1.00 20.02 C ATOM 1403 O MET B 65 53.237 -7.665 -25.547 1.00 20.08 O ATOM 1404 CB MET B 65 54.954 -5.045 -25.885 1.00 22.38 C ATOM 1405 CG MET B 65 54.891 -4.714 -27.405 1.00 23.37 C ATOM 1406 SD MET B 65 53.902 -3.219 -27.722 1.00 21.30 S ATOM 1407 CE MET B 65 54.360 -1.901 -26.495 1.00 23.69 C ATOM 1408 H MET B 65 53.933 -6.636 -23.483 1.00 0.00 H ATOM 1409 N ASP B 66 52.315 -6.393 -27.096 1.00 20.85 N ATOM 1410 CA ASP B 66 51.704 -7.397 -27.859 1.00 21.35 C ATOM 1411 C ASP B 66 51.585 -6.909 -29.323 1.00 21.58 C ATOM 1412 O ASP B 66 51.665 -5.714 -29.566 1.00 19.46 O ATOM 1413 CB ASP B 66 50.351 -7.775 -27.258 1.00 22.73 C ATOM 1414 CG ASP B 66 49.371 -6.677 -27.373 1.00 23.91 C ATOM 1415 OD1 ASP B 66 49.337 -5.651 -26.566 1.00 25.01 O ATOM 1416 OD2 ASP B 66 48.570 -6.830 -28.381 1.00 27.02 O ATOM 1417 H ASP B 66 52.209 -5.412 -27.426 1.00 0.00 H ATOM 1418 N PHE B 67 51.311 -7.819 -30.228 1.00 18.58 N ATOM 1419 CA PHE B 67 51.156 -7.341 -31.609 1.00 20.76 C ATOM 1420 C PHE B 67 50.001 -6.473 -31.868 1.00 19.61 C ATOM 1421 O PHE B 67 50.034 -5.546 -32.851 1.00 22.21 O ATOM 1422 CB PHE B 67 50.838 -8.502 -32.561 1.00 19.61 C ATOM 1423 CG PHE B 67 52.028 -9.462 -32.824 1.00 19.38 C ATOM 1424 CD1 PHE B 67 53.336 -8.983 -33.124 1.00 22.11 C ATOM 1425 CD2 PHE B 67 51.917 -10.849 -32.690 1.00 22.03 C ATOM 1426 CE1 PHE B 67 54.371 -9.882 -33.470 1.00 21.37 C ATOM 1427 CE2 PHE B 67 52.923 -11.696 -33.005 1.00 20.39 C ATOM 1428 CZ PHE B 67 54.189 -11.282 -33.350 1.00 19.08 C ATOM 1429 H PHE B 67 51.209 -8.824 -29.981 1.00 0.00 H ATOM 1430 N GLY B 68 48.868 -6.662 -31.244 1.00 20.51 N ATOM 1431 CA GLY B 68 47.809 -5.713 -31.463 1.00 21.94 C ATOM 1432 C GLY B 68 48.123 -4.307 -31.069 1.00 19.77 C ATOM 1433 O GLY B 68 47.792 -3.367 -31.795 1.00 24.48 O ATOM 1434 H GLY B 68 48.736 -7.474 -30.608 1.00 0.00 H ATOM 1435 N THR B 69 48.868 -4.083 -29.953 1.00 23.23 N ATOM 1436 CA THR B 69 49.297 -2.742 -29.549 1.00 26.08 C ATOM 1437 C THR B 69 50.353 -2.171 -30.574 1.00 24.42 C ATOM 1438 O THR B 69 50.410 -0.949 -30.857 1.00 26.66 O ATOM 1439 CB THR B 69 49.939 -2.802 -28.132 1.00 27.47 C ATOM 1440 OG1 THR B 69 48.939 -3.222 -27.191 1.00 30.14 O ATOM 1441 CG2 THR B 69 50.470 -1.483 -27.663 1.00 29.52 C ATOM 1442 HG1 THR B 69 48.602 -4.117 -27.446 1.00 0.00 H ATOM 1443 H THR B 69 49.143 -4.895 -29.364 1.00 0.00 H ATOM 1444 N MET B 70 51.210 -3.037 -31.120 1.00 22.84 N ATOM 1445 CA MET B 70 52.231 -2.622 -32.094 1.00 22.90 C ATOM 1446 C MET B 70 51.448 -2.166 -33.364 1.00 22.66 C ATOM 1447 O MET B 70 51.823 -1.144 -34.023 1.00 23.98 O ATOM 1448 CB MET B 70 53.153 -3.839 -32.374 1.00 23.89 C ATOM 1449 CG MET B 70 54.398 -3.965 -31.460 1.00 21.74 C ATOM 1450 SD MET B 70 55.070 -5.631 -31.517 1.00 25.45 S ATOM 1451 CE MET B 70 55.906 -5.969 -32.919 1.00 21.87 C ATOM 1452 H MET B 70 51.154 -4.039 -30.847 1.00 0.00 H ATOM 1453 N LYS B 71 50.355 -2.874 -33.687 1.00 22.94 N ATOM 1454 CA LYS B 71 49.571 -2.458 -34.930 1.00 23.95 C ATOM 1455 C LYS B 71 48.955 -1.065 -34.704 1.00 23.72 C ATOM 1456 O LYS B 71 49.054 -0.117 -35.539 1.00 26.85 O ATOM 1457 CB LYS B 71 48.535 -3.493 -35.376 1.00 24.31 C ATOM 1458 CG LYS B 71 47.434 -2.942 -36.271 1.00 26.91 C ATOM 1459 CD LYS B 71 47.975 -2.799 -37.642 1.00 28.51 C ATOM 1460 CE LYS B 71 46.756 -2.860 -38.600 1.00 30.80 C ATOM 1461 NZ LYS B 71 46.353 -4.322 -38.516 1.00 36.76 N ATOM 1462 HZ1 LYS B 71 47.146 -4.917 -38.829 1.00 0.00 H ATOM 1463 HZ2 LYS B 71 46.109 -4.557 -37.533 1.00 0.00 H ATOM 1464 HZ3 LYS B 71 45.529 -4.489 -39.128 1.00 0.00 H ATOM 1465 H LYS B 71 50.051 -3.682 -33.108 1.00 0.00 H ATOM 1466 N ASP B 72 48.443 -0.844 -33.507 1.00 27.83 N ATOM 1467 CA ASP B 72 47.868 0.483 -33.206 1.00 28.02 C ATOM 1468 C ASP B 72 48.908 1.516 -33.211 1.00 28.21 C ATOM 1469 O ASP B 72 48.709 2.612 -33.747 1.00 26.76 O ATOM 1470 CB ASP B 72 47.192 0.549 -31.796 1.00 31.75 C ATOM 1471 CG ASP B 72 45.827 -0.105 -31.766 1.00 35.11 C ATOM 1472 OD1 ASP B 72 45.215 -0.202 -32.853 1.00 43.03 O ATOM 1473 OD2 ASP B 72 45.387 -0.534 -30.653 1.00 38.20 O ATOM 1474 H ASP B 72 48.445 -1.594 -32.786 1.00 0.00 H ATOM 1475 N LYS B 73 50.089 1.177 -32.709 1.00 27.35 N ATOM 1476 CA LYS B 73 51.231 2.024 -32.758 1.00 25.58 C ATOM 1477 C LYS B 73 51.669 2.463 -34.192 1.00 26.41 C ATOM 1478 O LYS B 73 51.895 3.659 -34.439 1.00 26.61 O ATOM 1479 CB LYS B 73 52.336 1.443 -31.914 1.00 24.90 C ATOM 1480 CG LYS B 73 52.139 1.926 -30.478 1.00 29.07 C ATOM 1481 CD LYS B 73 53.175 1.372 -29.529 1.00 29.25 C ATOM 1482 CE LYS B 73 54.471 2.161 -29.476 1.00 26.80 C ATOM 1483 NZ LYS B 73 55.288 1.926 -28.195 1.00 29.92 N ATOM 1484 HZ1 LYS B 73 54.722 2.205 -27.368 1.00 0.00 H ATOM 1485 HZ2 LYS B 73 55.536 0.919 -28.123 1.00 0.00 H ATOM 1486 HZ3 LYS B 73 56.157 2.496 -28.230 1.00 0.00 H ATOM 1487 H LYS B 73 50.184 0.245 -32.257 1.00 0.00 H ATOM 1488 N ILE B 74 51.803 1.498 -35.114 1.00 24.41 N ATOM 1489 CA ILE B 74 52.082 1.774 -36.583 1.00 22.29 C ATOM 1490 C ILE B 74 50.964 2.662 -37.107 1.00 26.02 C ATOM 1491 O ILE B 74 51.246 3.744 -37.770 1.00 29.54 O ATOM 1492 CB ILE B 74 52.021 0.464 -37.339 1.00 22.84 C ATOM 1493 CG1 ILE B 74 53.189 -0.438 -36.960 1.00 23.60 C ATOM 1494 CG2 ILE B 74 52.198 0.753 -38.829 1.00 26.30 C ATOM 1495 CD1 ILE B 74 53.042 -1.813 -37.553 1.00 25.70 C ATOM 1496 H ILE B 74 51.711 0.508 -34.808 1.00 0.00 H ATOM 1497 N VAL B 75 49.677 2.298 -36.850 1.00 24.63 N ATOM 1498 CA VAL B 75 48.625 3.120 -37.514 1.00 25.71 C ATOM 1499 C VAL B 75 48.660 4.518 -36.920 1.00 26.63 C ATOM 1500 O VAL B 75 48.338 5.519 -37.669 1.00 29.10 O ATOM 1501 CB VAL B 75 47.252 2.438 -37.433 1.00 28.74 C ATOM 1502 CG1 VAL B 75 46.080 3.355 -37.731 1.00 33.91 C ATOM 1503 CG2 VAL B 75 47.225 1.195 -38.307 1.00 28.77 C ATOM 1504 H VAL B 75 49.443 1.497 -36.230 1.00 0.00 H ATOM 1505 N ALA B 76 49.101 4.684 -35.671 1.00 32.89 N ATOM 1506 CA ALA B 76 49.260 6.063 -35.053 1.00 33.83 C ATOM 1507 C ALA B 76 50.555 6.812 -35.389 1.00 39.62 C ATOM 1508 O ALA B 76 50.875 7.876 -34.813 1.00 40.79 O ATOM 1509 CB ALA B 76 49.037 6.046 -33.538 1.00 35.92 C ATOM 1510 H ALA B 76 49.343 3.846 -35.105 1.00 0.00 H ATOM 1511 N ASN B 77 51.290 6.270 -36.348 1.00 33.19 N ATOM 1512 CA ASN B 77 52.615 6.768 -36.660 1.00 35.14 C ATOM 1513 C ASN B 77 53.469 6.980 -35.396 1.00 36.36 C ATOM 1514 O ASN B 77 54.245 7.893 -35.309 1.00 32.15 O ATOM 1515 CB ASN B 77 52.511 8.047 -37.508 1.00 40.52 C ATOM 1516 CG ASN B 77 53.742 8.268 -38.365 1.00 46.37 C ATOM 1517 OD1 ASN B 77 54.392 7.308 -38.802 1.00 39.59 O ATOM 1518 ND2 ASN B 77 54.073 9.540 -38.616 1.00 45.58 N ATOM 1519 HD22 ASN B 77 53.497 10.314 -38.227 1.00 0.00 H ATOM 1520 HD21 ASN B 77 54.906 9.755 -39.200 1.00 0.00 H ATOM 1521 H ASN B 77 50.908 5.469 -36.890 1.00 0.00 H ATOM 1522 N GLU B 78 53.382 6.073 -34.431 1.00 27.80 N ATOM 1523 CA GLU B 78 54.305 6.202 -33.291 1.00 29.49 C ATOM 1524 C GLU B 78 55.792 5.789 -33.501 1.00 28.07 C ATOM 1525 O GLU B 78 56.680 6.183 -32.719 1.00 29.71 O ATOM 1526 CB GLU B 78 53.734 5.541 -32.020 1.00 30.87 C ATOM 1527 CG GLU B 78 52.297 5.946 -31.668 1.00 34.46 C ATOM 1528 CD GLU B 78 51.972 5.778 -30.163 1.00 36.80 C ATOM 1529 OE1 GLU B 78 52.875 5.407 -29.351 1.00 40.73 O ATOM 1530 OE2 GLU B 78 50.811 6.042 -29.786 1.00 39.62 O ATOM 1531 H GLU B 78 52.688 5.300 -34.478 1.00 0.00 H ATOM 1532 N TYR B 79 56.071 4.911 -34.475 1.00 25.89 N ATOM 1533 CA TYR B 79 57.443 4.459 -34.686 1.00 24.76 C ATOM 1534 C TYR B 79 58.149 5.287 -35.740 1.00 27.14 C ATOM 1535 O TYR B 79 57.671 5.266 -36.881 1.00 29.84 O ATOM 1536 CB TYR B 79 57.423 2.991 -35.222 1.00 22.21 C ATOM 1537 CG TYR B 79 56.819 1.974 -34.283 1.00 21.44 C ATOM 1538 CD1 TYR B 79 57.469 1.704 -33.125 1.00 24.82 C ATOM 1539 CD2 TYR B 79 55.610 1.381 -34.545 1.00 20.76 C ATOM 1540 CE1 TYR B 79 56.994 0.730 -32.217 1.00 24.59 C ATOM 1541 CE2 TYR B 79 55.112 0.354 -33.670 1.00 22.36 C ATOM 1542 CZ TYR B 79 55.803 0.098 -32.513 1.00 21.03 C ATOM 1543 OH TYR B 79 55.336 -0.880 -31.628 1.00 21.48 O ATOM 1544 HH TYR B 79 55.946 -0.938 -30.850 1.00 0.00 H ATOM 1545 H TYR B 79 55.307 4.551 -35.082 1.00 0.00 H ATOM 1546 N LYS B 80 59.291 5.912 -35.468 1.00 24.33 N ATOM 1547 CA LYS B 80 59.909 6.748 -36.518 1.00 25.05 C ATOM 1548 C LYS B 80 60.943 5.960 -37.228 1.00 26.18 C ATOM 1549 O LYS B 80 61.641 6.475 -38.087 1.00 33.44 O ATOM 1550 CB LYS B 80 60.574 8.005 -35.932 1.00 27.31 C ATOM 1551 CG LYS B 80 59.609 8.753 -35.045 1.00 29.51 C ATOM 1552 CD LYS B 80 58.537 9.407 -35.897 1.00 32.02 C ATOM 1553 CE LYS B 80 57.716 10.315 -35.016 1.00 35.55 C ATOM 1554 NZ LYS B 80 56.508 10.822 -35.707 1.00 37.80 N ATOM 1555 HZ1 LYS B 80 56.793 11.360 -36.550 1.00 0.00 H ATOM 1556 HZ2 LYS B 80 55.910 10.020 -35.991 1.00 0.00 H ATOM 1557 HZ3 LYS B 80 55.976 11.441 -35.063 1.00 0.00 H ATOM 1558 H LYS B 80 59.740 5.814 -34.535 1.00 0.00 H ATOM 1559 N SER B 81 61.145 4.700 -36.847 1.00 28.32 N ATOM 1560 CA SER B 81 62.215 3.937 -37.474 1.00 23.48 C ATOM 1561 C SER B 81 61.894 2.453 -37.272 1.00 24.76 C ATOM 1562 O SER B 81 61.159 2.092 -36.371 1.00 22.74 O ATOM 1563 CB SER B 81 63.557 4.256 -36.839 1.00 24.96 C ATOM 1564 OG SER B 81 63.760 3.659 -35.531 1.00 30.96 O ATOM 1565 HG SER B 81 64.653 3.914 -35.188 1.00 0.00 H ATOM 1566 H SER B 81 60.548 4.268 -36.113 1.00 0.00 H ATOM 1567 N VAL B 82 62.534 1.614 -38.051 1.00 24.69 N ATOM 1568 CA VAL B 82 62.433 0.133 -37.903 1.00 25.73 C ATOM 1569 C VAL B 82 63.072 -0.114 -36.566 1.00 24.94 C ATOM 1570 O VAL B 82 62.515 -0.959 -35.775 1.00 24.92 O ATOM 1571 CB VAL B 82 63.169 -0.559 -39.111 1.00 22.63 C ATOM 1572 CG1 VAL B 82 63.382 -2.067 -38.982 1.00 27.81 C ATOM 1573 CG2 VAL B 82 62.503 -0.188 -40.422 1.00 28.17 C ATOM 1574 H VAL B 82 63.139 1.998 -38.805 1.00 0.00 H ATOM 1575 N THR B 83 64.204 0.550 -36.234 1.00 24.78 N ATOM 1576 CA THR B 83 64.846 0.375 -34.880 1.00 27.51 C ATOM 1577 C THR B 83 63.796 0.373 -33.718 1.00 26.92 C ATOM 1578 O THR B 83 63.774 -0.560 -32.850 1.00 23.58 O ATOM 1579 CB THR B 83 65.946 1.462 -34.628 1.00 29.34 C ATOM 1580 OG1 THR B 83 67.054 1.192 -35.506 1.00 31.45 O ATOM 1581 CG2 THR B 83 66.479 1.455 -33.187 1.00 30.67 C ATOM 1582 HG1 THR B 83 66.746 1.231 -36.446 1.00 0.00 H ATOM 1583 H THR B 83 64.639 1.193 -36.926 1.00 0.00 H ATOM 1584 N GLU B 84 62.929 1.370 -33.682 1.00 26.02 N ATOM 1585 CA GLU B 84 61.921 1.553 -32.584 1.00 20.02 C ATOM 1586 C GLU B 84 60.931 0.391 -32.718 1.00 21.71 C ATOM 1587 O GLU B 84 60.533 -0.110 -31.695 1.00 19.18 O ATOM 1588 CB GLU B 84 61.272 2.988 -32.721 1.00 22.15 C ATOM 1589 CG GLU B 84 62.113 4.039 -32.121 1.00 25.26 C ATOM 1590 CD GLU B 84 61.584 5.430 -32.519 1.00 28.58 C ATOM 1591 OE1 GLU B 84 60.417 5.460 -32.967 1.00 29.36 O ATOM 1592 OE2 GLU B 84 62.259 6.456 -32.286 1.00 31.66 O ATOM 1593 H GLU B 84 62.946 2.065 -34.456 1.00 0.00 H ATOM 1594 N PHE B 85 60.536 -0.108 -33.896 1.00 21.65 N ATOM 1595 CA PHE B 85 59.590 -1.126 -34.019 1.00 19.54 C ATOM 1596 C PHE B 85 60.212 -2.424 -33.524 1.00 18.11 C ATOM 1597 O PHE B 85 59.604 -3.134 -32.722 1.00 20.46 O ATOM 1598 CB PHE B 85 59.160 -1.233 -35.532 1.00 25.56 C ATOM 1599 CG PHE B 85 58.311 -2.412 -35.843 1.00 21.84 C ATOM 1600 CD1 PHE B 85 56.950 -2.324 -35.792 1.00 22.25 C ATOM 1601 CD2 PHE B 85 58.874 -3.607 -36.263 1.00 24.93 C ATOM 1602 CE1 PHE B 85 56.146 -3.399 -36.012 1.00 25.59 C ATOM 1603 CE2 PHE B 85 58.045 -4.690 -36.542 1.00 26.37 C ATOM 1604 CZ PHE B 85 56.671 -4.597 -36.402 1.00 27.41 C ATOM 1605 H PHE B 85 60.956 0.283 -34.763 1.00 0.00 H ATOM 1606 N LYS B 86 61.423 -2.724 -33.991 1.00 16.96 N ATOM 1607 CA LYS B 86 62.154 -3.909 -33.518 1.00 21.42 C ATOM 1608 C LYS B 86 62.292 -3.816 -32.046 1.00 19.96 C ATOM 1609 O LYS B 86 62.179 -4.911 -31.392 1.00 20.58 O ATOM 1610 CB LYS B 86 63.526 -4.123 -34.263 1.00 20.90 C ATOM 1611 CG LYS B 86 63.390 -4.312 -35.763 1.00 24.79 C ATOM 1612 CD LYS B 86 64.785 -4.245 -36.388 1.00 27.04 C ATOM 1613 CE LYS B 86 65.656 -5.491 -36.364 1.00 27.22 C ATOM 1614 NZ LYS B 86 66.823 -5.146 -37.233 1.00 33.10 N ATOM 1615 HZ1 LYS B 86 66.486 -4.925 -38.192 1.00 0.00 H ATOM 1616 HZ2 LYS B 86 67.315 -4.319 -36.838 1.00 0.00 H ATOM 1617 HZ3 LYS B 86 67.476 -5.954 -37.271 1.00 0.00 H ATOM 1618 H LYS B 86 61.861 -2.107 -34.705 1.00 0.00 H ATOM 1619 N ALA B 87 62.452 -2.629 -31.437 1.00 19.06 N ATOM 1620 CA ALA B 87 62.602 -2.676 -29.920 1.00 20.40 C ATOM 1621 C ALA B 87 61.319 -3.106 -29.233 1.00 20.56 C ATOM 1622 O ALA B 87 61.390 -3.854 -28.254 1.00 20.93 O ATOM 1623 CB ALA B 87 63.051 -1.331 -29.397 1.00 22.94 C ATOM 1624 H ALA B 87 62.472 -1.734 -31.967 1.00 0.00 H ATOM 1625 N ASP B 88 60.121 -2.812 -29.803 1.00 18.68 N ATOM 1626 CA ASP B 88 58.817 -3.256 -29.233 1.00 20.75 C ATOM 1627 C ASP B 88 58.654 -4.767 -29.451 1.00 20.98 C ATOM 1628 O ASP B 88 58.176 -5.395 -28.531 1.00 20.75 O ATOM 1629 CB ASP B 88 57.564 -2.529 -29.684 1.00 19.82 C ATOM 1630 CG ASP B 88 57.164 -1.364 -28.820 1.00 26.42 C ATOM 1631 OD1 ASP B 88 57.672 -1.312 -27.695 1.00 26.57 O ATOM 1632 OD2 ASP B 88 56.340 -0.515 -29.342 1.00 24.20 O ATOM 1633 H ASP B 88 60.113 -2.251 -30.678 1.00 0.00 H ATOM 1634 N PHE B 89 59.049 -5.308 -30.615 1.00 20.33 N ATOM 1635 CA PHE B 89 59.003 -6.736 -30.856 1.00 17.43 C ATOM 1636 C PHE B 89 59.882 -7.407 -29.844 1.00 18.83 C ATOM 1637 O PHE B 89 59.475 -8.409 -29.259 1.00 18.31 O ATOM 1638 CB PHE B 89 59.388 -7.053 -32.304 1.00 17.26 C ATOM 1639 CG PHE B 89 59.459 -8.521 -32.575 1.00 19.21 C ATOM 1640 CD1 PHE B 89 58.215 -9.290 -32.478 1.00 16.84 C ATOM 1641 CD2 PHE B 89 60.610 -9.120 -33.017 1.00 20.87 C ATOM 1642 CE1 PHE B 89 58.259 -10.714 -32.669 1.00 18.54 C ATOM 1643 CE2 PHE B 89 60.637 -10.523 -33.200 1.00 21.11 C ATOM 1644 CZ PHE B 89 59.447 -11.238 -33.133 1.00 17.51 C ATOM 1645 H PHE B 89 59.399 -4.682 -31.368 1.00 0.00 H ATOM 1646 N LYS B 90 61.101 -6.968 -29.695 1.00 19.61 N ATOM 1647 CA LYS B 90 61.994 -7.504 -28.625 1.00 19.13 C ATOM 1648 C LYS B 90 61.371 -7.490 -27.179 1.00 17.33 C ATOM 1649 O LYS B 90 61.456 -8.529 -26.466 1.00 22.11 O ATOM 1650 CB LYS B 90 63.404 -6.799 -28.758 1.00 19.76 C ATOM 1651 CG LYS B 90 64.346 -7.435 -27.695 1.00 19.86 C ATOM 1652 CD LYS B 90 65.758 -6.962 -27.883 1.00 26.99 C ATOM 1653 CE LYS B 90 66.647 -7.558 -26.856 1.00 24.31 C ATOM 1654 NZ LYS B 90 66.464 -6.948 -25.505 1.00 26.73 N ATOM 1655 HZ1 LYS B 90 66.673 -5.930 -25.554 1.00 0.00 H ATOM 1656 HZ2 LYS B 90 65.481 -7.087 -25.194 1.00 0.00 H ATOM 1657 HZ3 LYS B 90 67.110 -7.404 -24.830 1.00 0.00 H ATOM 1658 H LYS B 90 61.458 -6.230 -30.334 1.00 0.00 H ATOM 1659 N LEU B 91 60.877 -6.332 -26.804 1.00 20.23 N ATOM 1660 CA LEU B 91 60.164 -6.212 -25.526 1.00 18.70 C ATOM 1661 C LEU B 91 59.160 -7.366 -25.372 1.00 21.31 C ATOM 1662 O LEU B 91 59.070 -8.009 -24.364 1.00 21.91 O ATOM 1663 CB LEU B 91 59.581 -4.789 -25.313 1.00 20.51 C ATOM 1664 CG LEU B 91 58.660 -4.591 -24.134 1.00 21.18 C ATOM 1665 CD1 LEU B 91 59.569 -4.621 -22.948 1.00 21.32 C ATOM 1666 CD2 LEU B 91 58.119 -3.200 -24.311 1.00 22.11 C ATOM 1667 H LEU B 91 60.991 -5.498 -27.414 1.00 0.00 H ATOM 1668 N MET B 92 58.337 -7.580 -26.401 1.00 20.66 N ATOM 1669 CA MET B 92 57.234 -8.519 -26.356 1.00 21.07 C ATOM 1670 C MET B 92 57.816 -9.894 -26.163 1.00 20.58 C ATOM 1671 O MET B 92 57.270 -10.699 -25.332 1.00 21.93 O ATOM 1672 CB MET B 92 56.419 -8.495 -27.665 1.00 24.54 C ATOM 1673 CG MET B 92 55.233 -9.407 -27.685 1.00 19.72 C ATOM 1674 SD MET B 92 54.506 -9.446 -29.341 1.00 22.73 S ATOM 1675 CE MET B 92 55.499 -10.741 -30.034 1.00 24.87 C ATOM 1676 H MET B 92 58.495 -7.046 -27.279 1.00 0.00 H ATOM 1677 N CYS B 93 58.982 -10.225 -26.800 1.00 18.90 N ATOM 1678 CA CYS B 93 59.432 -11.656 -26.722 1.00 18.91 C ATOM 1679 C CYS B 93 60.103 -11.662 -25.383 1.00 20.95 C ATOM 1680 O CYS B 93 60.034 -12.700 -24.748 1.00 20.56 O ATOM 1681 CB CYS B 93 60.432 -11.965 -27.833 1.00 17.70 C ATOM 1682 SG CYS B 93 59.589 -11.851 -29.488 1.00 23.02 S ATOM 1683 H CYS B 93 59.535 -9.513 -27.318 1.00 0.00 H ATOM 1684 N ASP B 94 60.783 -10.605 -24.961 1.00 23.64 N ATOM 1685 CA ASP B 94 61.523 -10.729 -23.659 1.00 25.30 C ATOM 1686 C ASP B 94 60.537 -10.842 -22.529 1.00 25.37 C ATOM 1687 O ASP B 94 60.861 -11.567 -21.546 1.00 22.78 O ATOM 1688 CB ASP B 94 62.404 -9.503 -23.354 1.00 23.73 C ATOM 1689 CG ASP B 94 63.668 -9.367 -24.223 1.00 23.08 C ATOM 1690 OD1 ASP B 94 64.133 -10.363 -24.770 1.00 24.60 O ATOM 1691 OD2 ASP B 94 64.085 -8.205 -24.390 1.00 24.59 O ATOM 1692 H ASP B 94 60.804 -9.722 -25.511 1.00 0.00 H ATOM 1693 N ASN B 95 59.349 -10.215 -22.655 1.00 21.04 N ATOM 1694 CA ASN B 95 58.335 -10.394 -21.628 1.00 20.72 C ATOM 1695 C ASN B 95 57.947 -11.837 -21.561 1.00 21.11 C ATOM 1696 O ASN B 95 57.854 -12.421 -20.431 1.00 19.79 O ATOM 1697 CB ASN B 95 57.168 -9.520 -21.954 1.00 20.06 C ATOM 1698 CG ASN B 95 57.452 -8.051 -21.626 1.00 20.46 C ATOM 1699 OD1 ASN B 95 58.421 -7.714 -20.915 1.00 19.82 O ATOM 1700 ND2 ASN B 95 56.638 -7.191 -22.143 1.00 20.62 N ATOM 1701 HD22 ASN B 95 55.843 -7.515 -22.730 1.00 0.00 H ATOM 1702 HD21 ASN B 95 56.778 -6.175 -21.972 1.00 0.00 H ATOM 1703 H ASN B 95 59.160 -9.609 -23.479 1.00 0.00 H ATOM 1704 N ALA B 96 57.647 -12.482 -22.661 1.00 19.74 N ATOM 1705 CA ALA B 96 57.198 -13.871 -22.584 1.00 22.04 C ATOM 1706 C ALA B 96 58.200 -14.864 -22.138 1.00 20.79 C ATOM 1707 O ALA B 96 57.897 -15.800 -21.306 1.00 23.65 O ATOM 1708 CB ALA B 96 56.667 -14.310 -23.960 1.00 20.62 C ATOM 1709 H ALA B 96 57.728 -12.009 -23.584 1.00 0.00 H ATOM 1710 N MET B 97 59.487 -14.633 -22.482 1.00 22.93 N ATOM 1711 CA MET B 97 60.585 -15.437 -21.932 1.00 24.74 C ATOM 1712 C MET B 97 60.902 -15.209 -20.461 1.00 25.00 C ATOM 1713 O MET B 97 61.414 -16.107 -19.804 1.00 32.15 O ATOM 1714 CB MET B 97 61.887 -15.359 -22.766 1.00 28.30 C ATOM 1715 CG MET B 97 61.752 -16.014 -24.118 1.00 29.39 C ATOM 1716 SD MET B 97 63.150 -15.617 -25.221 1.00 30.26 S ATOM 1717 CE MET B 97 63.765 -14.057 -24.525 1.00 40.04 C ATOM 1718 H MET B 97 59.704 -13.868 -23.152 1.00 0.00 H ATOM 1719 N THR B 98 60.693 -13.987 -19.990 1.00 25.71 N ATOM 1720 CA THR B 98 60.748 -13.712 -18.544 1.00 26.17 C ATOM 1721 C THR B 98 59.609 -14.390 -17.785 1.00 24.65 C ATOM 1722 O THR B 98 59.857 -15.100 -16.729 1.00 28.81 O ATOM 1723 CB THR B 98 60.777 -12.242 -18.302 1.00 25.89 C ATOM 1724 OG1 THR B 98 62.009 -11.761 -18.805 1.00 26.68 O ATOM 1725 CG2 THR B 98 60.867 -11.959 -16.764 1.00 28.15 C ATOM 1726 HG1 THR B 98 62.068 -11.957 -19.774 1.00 0.00 H ATOM 1727 H THR B 98 60.487 -13.211 -20.651 1.00 0.00 H ATOM 1728 N TYR B 99 58.368 -14.296 -18.245 1.00 22.71 N ATOM 1729 CA TYR B 99 57.280 -14.768 -17.317 1.00 21.40 C ATOM 1730 C TYR B 99 57.049 -16.291 -17.430 1.00 24.08 C ATOM 1731 O TYR B 99 56.784 -16.988 -16.393 1.00 28.38 O ATOM 1732 CB TYR B 99 56.024 -14.017 -17.682 1.00 24.18 C ATOM 1733 CG TYR B 99 54.806 -14.506 -16.954 1.00 24.97 C ATOM 1734 CD1 TYR B 99 54.557 -14.067 -15.658 1.00 24.31 C ATOM 1735 CD2 TYR B 99 53.892 -15.363 -17.545 1.00 22.94 C ATOM 1736 CE1 TYR B 99 53.470 -14.559 -14.890 1.00 26.29 C ATOM 1737 CE2 TYR B 99 52.742 -15.868 -16.818 1.00 24.62 C ATOM 1738 CZ TYR B 99 52.565 -15.419 -15.511 1.00 26.56 C ATOM 1739 OH TYR B 99 51.494 -15.837 -14.799 1.00 29.08 O ATOM 1740 HH TYR B 99 51.518 -15.428 -13.898 1.00 0.00 H ATOM 1741 H TYR B 99 58.159 -13.918 -19.191 1.00 0.00 H ATOM 1742 N ASN B 100 57.025 -16.830 -18.603 1.00 25.71 N ATOM 1743 CA ASN B 100 56.754 -18.194 -18.845 1.00 26.59 C ATOM 1744 C ASN B 100 57.907 -19.102 -18.540 1.00 29.67 C ATOM 1745 O ASN B 100 59.071 -18.690 -18.685 1.00 28.74 O ATOM 1746 CB ASN B 100 56.198 -18.319 -20.288 1.00 26.65 C ATOM 1747 CG ASN B 100 54.969 -17.427 -20.504 1.00 25.26 C ATOM 1748 OD1 ASN B 100 53.882 -17.793 -20.083 1.00 23.20 O ATOM 1749 ND2 ASN B 100 55.125 -16.213 -21.118 1.00 24.11 N ATOM 1750 HD22 ASN B 100 56.061 -15.924 -21.468 1.00 0.00 H ATOM 1751 HD21 ASN B 100 54.308 -15.580 -21.234 1.00 0.00 H ATOM 1752 H ASN B 100 57.218 -16.220 -19.423 1.00 0.00 H ATOM 1753 N ARG B 101 57.617 -20.296 -18.005 1.00 33.44 N ATOM 1754 CA ARG B 101 58.666 -21.220 -17.752 1.00 34.83 C ATOM 1755 C ARG B 101 59.229 -21.648 -19.077 1.00 31.45 C ATOM 1756 O ARG B 101 58.486 -21.814 -20.037 1.00 34.29 O ATOM 1757 CB ARG B 101 58.137 -22.498 -17.096 1.00 41.76 C ATOM 1758 CG ARG B 101 58.341 -22.657 -15.602 1.00 45.28 C ATOM 1759 CD ARG B 101 57.513 -23.841 -15.058 1.00 48.92 C ATOM 1760 NE ARG B 101 57.830 -25.079 -15.774 1.00 46.80 N ATOM 1761 CZ ARG B 101 58.780 -25.942 -15.407 1.00 48.50 C ATOM 1762 NH1 ARG B 101 59.020 -27.028 -16.124 1.00 44.30 N ATOM 1763 NH2 ARG B 101 59.473 -25.741 -14.302 1.00 51.63 N ATOM 1764 HE ARG B 101 57.277 -25.301 -16.627 1.00 0.00 H ATOM 1765 HH12 ARG B 101 59.763 -27.693 -15.828 1.00 0.00 H ATOM 1766 HH11 ARG B 101 58.466 -27.217 -16.984 1.00 0.00 H ATOM 1767 HH22 ARG B 101 60.212 -26.417 -14.021 1.00 0.00 H ATOM 1768 HH21 ARG B 101 59.280 -24.907 -13.712 1.00 0.00 H ATOM 1769 H ARG B 101 56.633 -20.544 -17.777 1.00 0.00 H ATOM 1770 N PRO B 102 60.534 -21.991 -19.093 1.00 35.69 N ATOM 1771 CA PRO B 102 61.136 -22.434 -20.312 1.00 33.87 C ATOM 1772 C PRO B 102 60.517 -23.582 -21.066 1.00 35.55 C ATOM 1773 O PRO B 102 60.589 -23.577 -22.317 1.00 41.48 O ATOM 1774 CB PRO B 102 62.626 -22.686 -19.919 1.00 36.32 C ATOM 1775 CG PRO B 102 62.812 -21.718 -18.782 1.00 37.95 C ATOM 1776 CD PRO B 102 61.533 -21.923 -18.015 1.00 36.48 C ATOM 1777 N ASP B 103 59.943 -24.579 -20.376 1.00 40.99 N ATOM 1778 CA ASP B 103 59.342 -25.677 -21.143 1.00 42.15 C ATOM 1779 C ASP B 103 58.054 -25.286 -21.938 1.00 41.84 C ATOM 1780 O ASP B 103 57.678 -25.994 -22.878 1.00 38.33 O ATOM 1781 CB ASP B 103 59.286 -27.029 -20.349 1.00 45.71 C ATOM 1782 CG ASP B 103 58.276 -27.041 -19.180 1.00 50.19 C ATOM 1783 OD1 ASP B 103 57.814 -25.970 -18.656 1.00 44.65 O ATOM 1784 OD2 ASP B 103 57.981 -28.200 -18.742 1.00 48.30 O ATOM 1785 H ASP B 103 59.924 -24.574 -19.336 1.00 0.00 H ATOM 1786 N THR B 104 57.452 -24.116 -21.666 1.00 32.86 N ATOM 1787 CA THR B 104 56.120 -23.840 -22.235 1.00 34.05 C ATOM 1788 C THR B 104 56.126 -23.508 -23.717 1.00 30.30 C ATOM 1789 O THR B 104 57.138 -23.000 -24.251 1.00 30.71 O ATOM 1790 CB THR B 104 55.371 -22.721 -21.486 1.00 33.55 C ATOM 1791 OG1 THR B 104 56.167 -21.505 -21.489 1.00 30.19 O ATOM 1792 CG2 THR B 104 54.932 -23.146 -20.044 1.00 32.07 C ATOM 1793 HG1 THR B 104 57.032 -21.677 -21.040 1.00 0.00 H ATOM 1794 H THR B 104 57.921 -23.412 -21.060 1.00 0.00 H ATOM 1795 N VAL B 105 54.962 -23.685 -24.334 1.00 29.89 N ATOM 1796 CA VAL B 105 54.697 -23.204 -25.664 1.00 29.42 C ATOM 1797 C VAL B 105 55.055 -21.694 -25.808 1.00 27.01 C ATOM 1798 O VAL B 105 55.612 -21.286 -26.851 1.00 28.38 O ATOM 1799 CB VAL B 105 53.242 -23.411 -26.049 1.00 31.22 C ATOM 1800 CG1 VAL B 105 53.105 -24.789 -26.675 1.00 38.64 C ATOM 1801 CG2 VAL B 105 52.360 -23.296 -24.805 1.00 33.93 C ATOM 1802 H VAL B 105 54.207 -24.195 -23.832 1.00 0.00 H ATOM 1803 N TYR B 106 54.795 -20.898 -24.775 1.00 29.17 N ATOM 1804 CA TYR B 106 54.888 -19.442 -24.889 1.00 25.24 C ATOM 1805 C TYR B 106 56.329 -18.997 -24.925 1.00 24.46 C ATOM 1806 O TYR B 106 56.679 -18.108 -25.710 1.00 30.11 O ATOM 1807 CB TYR B 106 54.040 -18.677 -23.827 1.00 25.08 C ATOM 1808 CG TYR B 106 52.643 -19.146 -23.723 1.00 23.86 C ATOM 1809 CD1 TYR B 106 51.672 -18.796 -24.590 1.00 24.89 C ATOM 1810 CD2 TYR B 106 52.339 -20.025 -22.712 1.00 27.39 C ATOM 1811 CE1 TYR B 106 50.390 -19.312 -24.434 1.00 30.27 C ATOM 1812 CE2 TYR B 106 51.079 -20.564 -22.555 1.00 28.70 C ATOM 1813 CZ TYR B 106 50.147 -20.202 -23.408 1.00 28.86 C ATOM 1814 OH TYR B 106 48.939 -20.827 -23.139 1.00 32.14 O ATOM 1815 HH TYR B 106 48.262 -20.532 -23.799 1.00 0.00 H ATOM 1816 H TYR B 106 54.519 -21.320 -23.865 1.00 0.00 H ATOM 1817 N TYR B 107 57.137 -19.542 -24.025 1.00 22.42 N ATOM 1818 CA TYR B 107 58.562 -19.332 -23.976 1.00 24.13 C ATOM 1819 C TYR B 107 59.180 -19.817 -25.268 1.00 24.07 C ATOM 1820 O TYR B 107 59.980 -19.097 -25.910 1.00 23.80 O ATOM 1821 CB TYR B 107 59.196 -20.040 -22.723 1.00 24.97 C ATOM 1822 CG TYR B 107 60.687 -19.865 -22.602 1.00 30.80 C ATOM 1823 CD1 TYR B 107 61.540 -20.638 -23.415 1.00 29.06 C ATOM 1824 CD2 TYR B 107 61.261 -18.956 -21.717 1.00 24.67 C ATOM 1825 CE1 TYR B 107 62.920 -20.521 -23.318 1.00 30.83 C ATOM 1826 CE2 TYR B 107 62.633 -18.815 -21.614 1.00 29.36 C ATOM 1827 CZ TYR B 107 63.450 -19.603 -22.418 1.00 31.25 C ATOM 1828 OH TYR B 107 64.822 -19.494 -22.396 1.00 37.56 O ATOM 1829 HH TYR B 107 65.213 -20.139 -23.037 1.00 0.00 H ATOM 1830 H TYR B 107 56.713 -20.163 -23.306 1.00 0.00 H ATOM 1831 N LYS B 108 58.912 -21.051 -25.680 1.00 24.77 N ATOM 1832 CA LYS B 108 59.601 -21.544 -26.862 1.00 26.54 C ATOM 1833 C LYS B 108 59.276 -20.749 -28.163 1.00 25.36 C ATOM 1834 O LYS B 108 60.131 -20.598 -29.079 1.00 25.08 O ATOM 1835 CB LYS B 108 59.328 -22.985 -27.179 1.00 28.07 C ATOM 1836 CG LYS B 108 59.385 -23.934 -26.008 1.00 33.35 C ATOM 1837 CD LYS B 108 59.110 -25.334 -26.527 1.00 37.45 C ATOM 1838 CE LYS B 108 59.045 -26.384 -25.430 1.00 39.56 C ATOM 1839 NZ LYS B 108 58.551 -27.618 -26.087 1.00 43.48 N ATOM 1840 HZ1 LYS B 108 57.612 -27.439 -26.497 1.00 0.00 H ATOM 1841 HZ2 LYS B 108 59.212 -27.897 -26.840 1.00 0.00 H ATOM 1842 HZ3 LYS B 108 58.484 -28.381 -25.383 1.00 0.00 H ATOM 1843 H LYS B 108 58.229 -21.648 -25.172 1.00 0.00 H ATOM 1844 N LEU B 109 58.018 -20.367 -28.278 1.00 23.87 N ATOM 1845 CA LEU B 109 57.599 -19.445 -29.380 1.00 21.51 C ATOM 1846 C LEU B 109 58.299 -18.109 -29.311 1.00 23.09 C ATOM 1847 O LEU B 109 58.920 -17.692 -30.346 1.00 21.17 O ATOM 1848 CB LEU B 109 56.100 -19.313 -29.564 1.00 21.24 C ATOM 1849 CG LEU B 109 55.697 -18.471 -30.756 1.00 20.68 C ATOM 1850 CD1 LEU B 109 56.291 -19.217 -31.901 1.00 26.46 C ATOM 1851 CD2 LEU B 109 54.166 -18.398 -30.910 1.00 24.93 C ATOM 1852 H LEU B 109 57.311 -20.710 -27.596 1.00 0.00 H ATOM 1853 N ALA B 110 58.288 -17.474 -28.192 1.00 26.08 N ATOM 1854 CA ALA B 110 58.937 -16.164 -28.009 1.00 21.03 C ATOM 1855 C ALA B 110 60.381 -16.197 -28.366 1.00 22.40 C ATOM 1856 O ALA B 110 60.815 -15.323 -29.175 1.00 24.17 O ATOM 1857 CB ALA B 110 58.795 -15.734 -26.566 1.00 22.63 C ATOM 1858 H ALA B 110 57.799 -17.904 -27.381 1.00 0.00 H ATOM 1859 N LYS B 111 61.170 -17.143 -27.844 1.00 21.46 N ATOM 1860 CA LYS B 111 62.599 -17.383 -28.225 1.00 24.40 C ATOM 1861 C LYS B 111 62.712 -17.508 -29.737 1.00 28.15 C ATOM 1862 O LYS B 111 63.513 -16.742 -30.395 1.00 27.93 O ATOM 1863 CB LYS B 111 63.191 -18.653 -27.602 1.00 32.53 C ATOM 1864 CG LYS B 111 64.702 -18.663 -27.748 1.00 30.55 C ATOM 1865 CD LYS B 111 65.462 -19.164 -26.548 1.00 34.67 C ATOM 1866 CE LYS B 111 66.943 -18.915 -26.836 1.00 36.20 C ATOM 1867 NZ LYS B 111 67.577 -20.243 -26.597 1.00 38.89 N ATOM 1868 HZ1 LYS B 111 67.410 -20.534 -25.613 1.00 0.00 H ATOM 1869 HZ2 LYS B 111 67.162 -20.945 -27.242 1.00 0.00 H ATOM 1870 HZ3 LYS B 111 68.600 -20.174 -26.770 1.00 0.00 H ATOM 1871 H LYS B 111 60.759 -17.761 -27.116 1.00 0.00 H ATOM 1872 N LYS B 112 61.904 -18.419 -30.313 1.00 23.91 N ATOM 1873 CA LYS B 112 62.026 -18.800 -31.740 1.00 23.49 C ATOM 1874 C LYS B 112 61.777 -17.544 -32.584 1.00 21.62 C ATOM 1875 O LYS B 112 62.565 -17.228 -33.534 1.00 25.17 O ATOM 1876 CB LYS B 112 60.898 -19.737 -32.154 1.00 23.11 C ATOM 1877 CG LYS B 112 61.169 -20.253 -33.550 1.00 26.62 C ATOM 1878 CD LYS B 112 60.130 -21.314 -33.918 1.00 28.41 C ATOM 1879 CE LYS B 112 60.361 -22.102 -35.237 1.00 33.35 C ATOM 1880 NZ LYS B 112 61.750 -22.239 -35.745 1.00 36.04 N ATOM 1881 HZ1 LYS B 112 62.147 -21.295 -35.925 1.00 0.00 H ATOM 1882 HZ2 LYS B 112 62.330 -22.730 -35.036 1.00 0.00 H ATOM 1883 HZ3 LYS B 112 61.742 -22.788 -36.628 1.00 0.00 H ATOM 1884 H LYS B 112 61.167 -18.872 -29.735 1.00 0.00 H ATOM 1885 N ILE B 113 60.690 -16.863 -32.282 1.00 25.17 N ATOM 1886 CA ILE B 113 60.323 -15.752 -33.155 1.00 20.90 C ATOM 1887 C ILE B 113 61.203 -14.548 -32.954 1.00 22.17 C ATOM 1888 O ILE B 113 61.348 -13.676 -33.887 1.00 20.47 O ATOM 1889 CB ILE B 113 58.824 -15.345 -33.123 1.00 23.43 C ATOM 1890 CG1 ILE B 113 58.407 -14.585 -31.869 1.00 22.02 C ATOM 1891 CG2 ILE B 113 57.832 -16.412 -33.659 1.00 24.28 C ATOM 1892 CD1 ILE B 113 56.955 -14.155 -31.982 1.00 24.81 C ATOM 1893 H ILE B 113 60.114 -17.108 -31.451 1.00 0.00 H ATOM 1894 N LEU B 114 61.729 -14.354 -31.728 1.00 21.28 N ATOM 1895 CA LEU B 114 62.700 -13.261 -31.510 1.00 22.43 C ATOM 1896 C LEU B 114 63.861 -13.341 -32.500 1.00 21.29 C ATOM 1897 O LEU B 114 64.085 -12.358 -33.245 1.00 21.68 O ATOM 1898 CB LEU B 114 63.255 -13.356 -30.061 1.00 20.25 C ATOM 1899 CG LEU B 114 64.160 -12.185 -29.749 1.00 22.67 C ATOM 1900 CD1 LEU B 114 63.652 -10.761 -29.999 1.00 20.16 C ATOM 1901 CD2 LEU B 114 64.690 -12.397 -28.307 1.00 23.75 C ATOM 1902 H LEU B 114 61.452 -14.971 -30.938 1.00 0.00 H ATOM 1903 N HIS B 115 64.433 -14.537 -32.638 1.00 22.69 N ATOM 1904 CA HIS B 115 65.637 -14.641 -33.396 1.00 23.57 C ATOM 1905 C HIS B 115 65.226 -14.660 -34.838 1.00 22.92 C ATOM 1906 O HIS B 115 65.896 -14.017 -35.680 1.00 25.24 O ATOM 1907 CB HIS B 115 66.486 -15.862 -33.036 1.00 25.98 C ATOM 1908 CG HIS B 115 67.118 -15.746 -31.683 1.00 26.69 C ATOM 1909 ND1 HIS B 115 68.453 -15.414 -31.511 1.00 29.93 N ATOM 1910 CD2 HIS B 115 66.596 -15.870 -30.430 1.00 28.06 C ATOM 1911 CE1 HIS B 115 68.724 -15.391 -30.212 1.00 32.33 C ATOM 1912 NE2 HIS B 115 67.612 -15.632 -29.542 1.00 28.66 N ATOM 1913 H HIS B 115 64.009 -15.380 -32.201 1.00 0.00 H ATOM 1914 N ALA B 116 64.115 -15.276 -35.195 1.00 23.17 N ATOM 1915 CA ALA B 116 63.821 -15.440 -36.624 1.00 26.87 C ATOM 1916 C ALA B 116 63.354 -14.113 -37.083 1.00 23.46 C ATOM 1917 O ALA B 116 63.591 -13.751 -38.260 1.00 27.67 O ATOM 1918 CB ALA B 116 62.741 -16.450 -36.828 1.00 27.90 C ATOM 1919 H ALA B 116 63.458 -15.640 -34.475 1.00 0.00 H ATOM 1920 N GLY B 117 62.608 -13.386 -36.228 1.00 22.22 N ATOM 1921 CA GLY B 117 62.086 -12.084 -36.730 1.00 20.02 C ATOM 1922 C GLY B 117 63.142 -10.998 -36.833 1.00 23.15 C ATOM 1923 O GLY B 117 63.093 -10.123 -37.784 1.00 19.73 O ATOM 1924 H GLY B 117 62.406 -13.718 -35.263 1.00 0.00 H ATOM 1925 N PHE B 118 64.176 -11.038 -36.015 1.00 23.12 N ATOM 1926 CA PHE B 118 65.208 -10.074 -36.135 1.00 26.10 C ATOM 1927 C PHE B 118 65.952 -10.358 -37.416 1.00 21.45 C ATOM 1928 O PHE B 118 66.163 -9.376 -38.173 1.00 26.66 O ATOM 1929 CB PHE B 118 66.102 -10.055 -34.946 1.00 25.83 C ATOM 1930 CG PHE B 118 65.751 -8.997 -33.972 1.00 25.65 C ATOM 1931 CD1 PHE B 118 64.534 -9.092 -33.222 1.00 26.57 C ATOM 1932 CD2 PHE B 118 66.623 -7.873 -33.769 1.00 22.74 C ATOM 1933 CE1 PHE B 118 64.187 -8.023 -32.388 1.00 26.02 C ATOM 1934 CE2 PHE B 118 66.291 -6.830 -32.856 1.00 22.01 C ATOM 1935 CZ PHE B 118 65.074 -6.925 -32.188 1.00 22.20 C ATOM 1936 H PHE B 118 64.234 -11.775 -35.284 1.00 0.00 H ATOM 1937 N LYS B 119 66.136 -11.632 -37.775 1.00 22.48 N ATOM 1938 CA LYS B 119 66.902 -12.010 -38.971 1.00 25.29 C ATOM 1939 C LYS B 119 66.034 -11.443 -40.155 1.00 25.19 C ATOM 1940 O LYS B 119 66.554 -10.877 -41.224 1.00 29.81 O ATOM 1941 CB LYS B 119 67.057 -13.555 -39.088 1.00 27.90 C ATOM 1942 CG LYS B 119 68.314 -14.148 -38.439 1.00 38.03 C ATOM 1943 CD LYS B 119 68.272 -15.695 -38.457 1.00 44.39 C ATOM 1944 CE LYS B 119 69.126 -16.355 -37.369 1.00 51.43 C ATOM 1945 NZ LYS B 119 69.547 -17.722 -37.807 1.00 56.86 N ATOM 1946 HZ1 LYS B 119 68.703 -18.304 -37.980 1.00 0.00 H ATOM 1947 HZ2 LYS B 119 70.104 -17.648 -38.682 1.00 0.00 H ATOM 1948 HZ3 LYS B 119 70.125 -18.161 -37.062 1.00 0.00 H ATOM 1949 H LYS B 119 65.722 -12.383 -37.187 1.00 0.00 H ATOM 1950 N MET B 120 64.703 -11.548 -40.039 1.00 26.88 N ATOM 1951 CA MET B 120 63.840 -11.385 -41.221 1.00 27.78 C ATOM 1952 C MET B 120 63.784 -9.911 -41.466 1.00 29.25 C ATOM 1953 O MET B 120 63.637 -9.444 -42.646 1.00 31.72 O ATOM 1954 CB MET B 120 62.458 -12.061 -40.959 1.00 28.97 C ATOM 1955 CG MET B 120 61.334 -11.815 -42.006 1.00 29.63 C ATOM 1956 SD MET B 120 60.581 -10.198 -41.792 1.00 31.66 S ATOM 1957 CE MET B 120 59.824 -10.357 -40.201 1.00 29.01 C ATOM 1958 H MET B 120 64.278 -11.745 -39.111 1.00 0.00 H ATOM 1959 N MET B 121 63.985 -9.102 -40.425 1.00 28.45 N ATOM 1960 CA MET B 121 63.856 -7.662 -40.593 1.00 29.12 C ATOM 1961 C MET B 121 65.196 -7.019 -41.044 1.00 35.62 C ATOM 1962 O MET B 121 65.259 -5.806 -41.264 1.00 35.98 O ATOM 1963 CB MET B 121 63.197 -6.958 -39.367 1.00 27.95 C ATOM 1964 CG MET B 121 61.719 -7.336 -39.170 1.00 26.03 C ATOM 1965 SD MET B 121 60.976 -6.435 -37.798 1.00 24.89 S ATOM 1966 CE MET B 121 61.204 -7.464 -36.313 1.00 18.69 C ATOM 1967 H MET B 121 64.233 -9.499 -39.496 1.00 0.00 H ATOM 1968 N SER B 122 66.227 -7.847 -41.190 1.00 34.69 N ATOM 1969 CA SER B 122 67.544 -7.378 -41.633 1.00 41.45 C ATOM 1970 C SER B 122 67.853 -7.840 -43.072 1.00 43.15 C ATOM 1971 O SER B 122 68.781 -7.333 -43.717 1.00 56.85 O ATOM 1972 CB SER B 122 68.617 -7.850 -40.643 1.00 40.16 C ATOM 1973 OG SER B 122 68.213 -7.445 -39.355 1.00 40.01 O ATOM 1974 HG SER B 122 67.339 -7.856 -39.140 1.00 0.00 H ATOM 1975 H SER B 122 66.095 -8.858 -40.984 1.00 0.00 H TER 1976 SER B 122 HETATM 1977 O HOH 1 61.525 -21.978 -9.666 1.00 39.50 O HETATM 1978 O HOH 2 50.887 -21.218 4.033 1.00 25.95 O HETATM 1979 O HOH 3 53.291 -20.706 -9.455 1.00 28.57 O HETATM 1980 O HOH 4 60.245 -40.051 -0.864 1.00 30.57 O HETATM 1981 O HOH 5 49.949 -29.033 -2.324 1.00 19.93 O HETATM 1982 O HOH 6 54.751 -40.887 -7.600 1.00 34.71 O HETATM 1983 O HOH 7 54.613 -39.427 -5.536 1.00 34.50 O HETATM 1984 O HOH 8 48.376 -33.666 7.099 1.00 27.73 O HETATM 1985 O HOH 9 56.124 -25.304 13.477 1.00 31.61 O HETATM 1986 O HOH 10 46.392 -40.212 0.574 1.00 33.36 O HETATM 1987 O HOH 11 67.863 -24.987 -1.252 1.00 36.51 O HETATM 1988 O HOH 12 45.212 -32.722 -12.559 1.00 34.23 O HETATM 1989 O HOH 13 50.469 -34.925 -4.027 1.00 23.75 O HETATM 1990 O HOH 14 65.809 -38.769 3.849 1.00 25.21 O HETATM 1991 O HOH 15 68.340 -27.506 6.534 1.00 32.87 O HETATM 1992 O HOH 16 53.971 -32.269 -5.274 1.00 23.72 O HETATM 1993 O HOH 17 58.678 -35.296 -8.787 1.00 25.46 O HETATM 1994 O HOH 18 60.202 -41.741 1.137 1.00 28.81 O HETATM 1995 O HOH 19 44.437 -22.997 6.636 1.00 39.32 O HETATM 1996 O HOH 20 63.313 -36.858 -1.709 1.00 27.64 O HETATM 1997 O HOH 21 49.218 -27.525 5.188 1.00 27.59 O HETATM 1998 O HOH 22 50.192 -34.949 12.453 1.00 31.98 O HETATM 1999 O HOH 23 68.310 -31.854 -3.985 1.00 24.55 O HETATM 2000 O HOH 24 52.373 -30.136 -2.055 1.00 19.98 O HETATM 2001 O HOH 25 52.503 -37.554 18.186 1.00 29.31 O HETATM 2002 O HOH 26 46.694 -31.698 4.900 1.00 26.84 O HETATM 2003 O HOH 27 62.531 -18.876 0.500 1.00 29.10 O HETATM 2004 O HOH 28 66.659 -30.108 -2.450 1.00 29.48 O HETATM 2005 O HOH 29 61.276 -33.015 -7.115 1.00 32.76 O HETATM 2006 O HOH 30 56.882 -41.320 -2.159 1.00 34.72 O HETATM 2007 O HOH 31 54.577 -29.884 -3.702 1.00 21.36 O HETATM 2008 O HOH 32 55.853 -17.514 0.838 1.00 29.80 O HETATM 2009 O HOH 33 69.721 -25.514 5.872 1.00 30.00 O HETATM 2010 O HOH 34 48.269 -38.980 -2.965 1.00 34.46 O HETATM 2011 O HOH 35 46.198 -37.037 -0.626 1.00 35.49 O HETATM 2012 O HOH 36 49.626 -28.512 12.484 1.00 26.90 O HETATM 2013 O HOH 37 49.159 -41.379 1.129 1.00 34.07 O HETATM 2014 O HOH 38 57.830 -47.963 15.599 1.00 36.42 O HETATM 2015 O HOH 39 48.661 -25.441 -3.738 1.00 26.20 O HETATM 2016 O HOH 40 54.777 -44.865 9.085 1.00 32.61 O HETATM 2017 O HOH 41 46.835 -27.819 -0.867 1.00 27.19 O HETATM 2018 O HOH 42 43.483 -21.466 3.132 1.00 31.33 O HETATM 2019 O HOH 43 49.576 -33.700 -7.727 1.00 26.92 O HETATM 2020 O HOH 44 64.638 -21.910 6.607 1.00 30.31 O HETATM 2021 O HOH 45 53.788 -42.339 24.405 1.00 25.01 O HETATM 2022 O HOH 46 64.003 -43.813 12.168 1.00 29.41 O HETATM 2023 O HOH 47 42.666 -40.423 2.250 1.00 29.04 O HETATM 2024 O HOH 48 63.149 -35.039 -4.098 1.00 36.87 O HETATM 2025 O HOH 49 50.672 -32.727 -5.365 1.00 22.82 O HETATM 2026 O HOH 50 59.444 -34.524 -11.372 1.00 27.13 O HETATM 2027 O HOH 51 45.641 -21.607 -8.505 1.00 35.94 O HETATM 2028 O HOH 52 47.470 -25.887 6.744 1.00 29.04 O HETATM 2029 O HOH 53 45.630 -43.734 5.878 1.00 31.82 O HETATM 2030 O HOH 54 54.792 -20.275 -11.382 1.00 30.32 O HETATM 2031 O HOH 55 45.173 -36.296 4.938 1.00 30.97 O HETATM 2032 O HOH 56 47.100 -28.383 -17.530 1.00 36.78 O HETATM 2033 O HOH 57 47.226 -22.901 -3.679 1.00 32.40 O HETATM 2034 O HOH 58 47.215 -27.702 -3.559 1.00 29.42 O HETATM 2035 O HOH 59 62.248 -38.610 -17.682 1.00 28.39 O HETATM 2036 O HOH 60 64.543 -25.375 -8.049 1.00 35.77 O HETATM 2037 O HOH 61 45.295 -30.068 6.438 1.00 40.97 O HETATM 2038 O HOH 62 68.255 -35.976 -1.536 1.00 34.60 O HETATM 2039 O HOH 63 66.707 -22.960 7.968 1.00 32.22 O HETATM 2040 O HOH 64 65.805 -36.562 2.053 1.00 32.37 O HETATM 2041 O HOH 65 43.831 -35.784 2.629 1.00 33.74 O HETATM 2042 O HOH 66 49.096 -37.136 -5.045 1.00 31.95 O HETATM 2043 O HOH 67 45.588 -33.782 6.386 1.00 27.90 O HETATM 2044 O HOH 68 62.718 -42.852 0.774 1.00 34.46 O HETATM 2045 O HOH 69 60.848 -39.394 -6.688 1.00 32.05 O HETATM 2046 O HOH 70 65.369 -49.493 2.320 1.00 32.25 O HETATM 2047 O HOH 71 52.316 -18.687 4.357 1.00 28.23 O HETATM 2048 O HOH 72 65.762 -37.204 -0.413 1.00 26.45 O HETATM 2049 O HOH 73 60.855 -36.920 -8.282 1.00 26.35 O HETATM 2050 O HOH 74 56.510 -15.012 0.220 1.00 30.53 O HETATM 2051 O HOH 75 41.573 -39.961 -0.388 1.00 36.10 O HETATM 2052 O HOH 76 64.635 -41.795 -1.230 1.00 36.08 O HETATM 2053 O HOH 77 49.452 -7.138 -20.424 1.00 29.59 O HETATM 2054 O HOH 78 61.414 -18.129 -17.916 1.00 32.35 O HETATM 2055 O HOH 79 49.331 -13.246 -33.414 1.00 31.98 O HETATM 2056 O HOH 80 69.761 -15.044 -33.715 1.00 30.99 O HETATM 2057 O HOH 81 63.394 -5.721 -24.108 1.00 34.33 O HETATM 2058 O HOH 82 66.603 -10.325 -25.572 1.00 30.57 O HETATM 2059 O HOH 83 67.306 -4.507 -25.914 1.00 33.98 O HETATM 2060 O HOH 84 54.641 -12.226 -22.206 1.00 23.84 O HETATM 2061 O HOH 85 62.389 -21.978 -29.212 1.00 30.77 O HETATM 2062 O HOH 86 56.552 -15.392 -41.336 1.00 46.19 O HETATM 2063 O HOH 87 53.673 -8.380 -22.685 1.00 22.81 O HETATM 2064 O HOH 88 50.529 -5.667 -24.159 1.00 23.95 O HETATM 2065 O HOH 89 49.853 -11.762 -40.560 1.00 40.53 O HETATM 2066 O HOH 90 53.474 -10.740 -9.370 1.00 37.11 O HETATM 2067 O HOH 91 50.186 -11.592 -25.747 1.00 22.38 O HETATM 2068 O HOH 92 50.870 -19.718 -32.044 1.00 27.22 O HETATM 2069 O HOH 93 63.336 -4.058 -26.341 1.00 32.22 O HETATM 2070 O HOH 94 52.577 -10.302 -25.906 1.00 23.32 O HETATM 2071 O HOH 95 64.640 -18.723 -34.530 1.00 32.45 O HETATM 2072 O HOH 96 59.905 0.991 -29.218 1.00 31.20 O HETATM 2073 O HOH 97 56.826 0.712 -25.975 1.00 38.87 O HETATM 2074 O HOH 98 46.880 -12.899 -27.217 1.00 27.12 O HETATM 2075 O HOH 99 50.179 -5.090 -40.219 1.00 34.49 O HETATM 2076 O HOH 100 61.210 -7.677 -20.555 1.00 30.26 O HETATM 2077 O HOH 101 60.266 -0.591 -26.880 1.00 26.88 O HETATM 2078 O HOH 102 55.372 -22.855 -29.182 1.00 34.37 O HETATM 2079 O HOH 103 43.701 -8.329 -23.752 1.00 26.49 O HETATM 2080 O HOH 104 54.781 0.327 -20.505 1.00 44.98 O HETATM 2081 O HOH 105 54.582 -10.689 -24.339 1.00 20.15 O HETATM 2082 O HOH 106 48.755 -15.291 -24.475 1.00 24.45 O HETATM 2083 O HOH 107 58.746 -5.435 -19.192 1.00 27.18 O HETATM 2084 O HOH 108 54.833 -0.930 -22.592 1.00 33.67 O HETATM 2085 O HOH 109 66.132 -1.993 -32.024 1.00 32.39 O HETATM 2086 O HOH 110 47.306 -11.855 -10.559 1.00 38.11 O HETATM 2087 O HOH 111 50.870 -8.051 -22.794 1.00 23.75 O HETATM 2088 O HOH 112 66.099 2.110 -38.128 1.00 33.19 O HETATM 2089 O HOH 113 58.180 7.395 -43.971 1.00 43.34 O HETATM 2090 O HOH 114 63.565 3.033 -40.440 1.00 31.24 O HETATM 2091 O HOH 115 48.685 0.893 -29.271 1.00 32.30 O HETATM 2092 O HOH 116 46.550 -8.877 -33.109 1.00 34.22 O HETATM 2093 O HOH 117 67.350 -15.229 -26.516 1.00 39.35 O HETATM 2094 O HOH 118 66.223 -17.305 -36.309 1.00 36.05 O HETATM 2095 O HOH 119 46.843 -12.560 -24.200 1.00 36.69 O HETATM 2096 O HOH 120 64.506 -15.707 -20.408 1.00 32.03 O HETATM 2097 O HOH 121 59.844 -6.149 -16.828 1.00 37.32 O HETATM 2098 O HOH 122 57.299 -17.866 -41.070 1.00 39.29 O HETATM 2099 O HOH 123 57.548 -22.411 -30.853 1.00 29.43 O HETATM 2100 O HOH 124 54.757 -19.792 -16.325 1.00 35.99 O HETATM 2101 O HOH 125 68.753 -12.732 -34.167 1.00 30.13 O HETATM 2102 O HOH 126 67.118 -12.685 -25.528 1.00 37.02 O HETATM 2103 O HOH 127 48.125 -13.850 -38.732 1.00 33.71 O HETATM 2104 O HOH 128 60.958 -3.905 -7.549 1.00 28.42 O HETATM 2105 O HOH 129 66.089 -4.066 -30.202 1.00 28.50 O HETATM 2106 O HOH 130 46.008 -6.837 -34.440 1.00 28.84 O HETATM 2107 O HOH 131 65.777 -3.231 -27.515 1.00 31.52 O HETATM 2108 O HOH 132 59.449 -24.262 -31.244 1.00 27.51 O HETATM 2109 O HOH 133 43.991 -5.143 -30.694 1.00 33.35 O HETATM 2110 O HOH 134 46.975 -17.036 -24.778 1.00 35.65 O HETATM 2111 O HOH 135 63.237 2.081 -28.689 1.00 41.09 O HETATM 2112 O HOH 136 41.594 -0.563 -27.352 1.00 35.68 O HETATM 2113 O HOH 137 63.953 0.689 -26.145 1.00 43.04 O HETATM 2114 O HOH 138 54.491 -28.428 -5.907 1.00 20.01 O HETATM 2115 O HOH 139 47.117 -19.875 -13.645 1.00 29.69 O HETATM 2116 O HOH 140 53.879 -23.033 -15.705 1.00 30.03 O HETATM 2117 O HOH 141 53.002 -20.479 -19.025 1.00 26.16 O HETATM 2118 O HOH 142 54.103 -18.085 -12.682 1.00 29.64 O HETATM 2119 N GLY A 143 45.651 -22.713 -19.551 1.00 0.24 N HETATM 2120 CA GLY A 143 46.765 -23.115 -20.491 1.00 0.05 C HETATM 2121 C GLY A 143 48.090 -22.398 -20.150 1.00 0.22 C HETATM 2122 O GLY A 143 49.157 -22.951 -20.377 1.00 -0.39 O HETATM 2123 N GLY A 143 47.969 -21.179 -19.584 1.00 -0.26 N HETATM 2124 CA GLY A 143 49.099 -20.233 -19.359 1.00 0.13 C HETATM 2125 CB GLY A 143 48.758 -18.879 -20.057 1.00 -0.01 C HETATM 2126 CG GLY A 143 50.049 -18.060 -20.239 1.00 -0.05 C HETATM 2127 CD GLY A 143 49.902 -16.905 -21.309 1.00 -0.03 C HETATM 2128 CE GLY A 143 51.168 -16.151 -21.328 1.00 0.03 C HETATM 2129 NZ GLY A 143 51.121 -15.235 -22.551 1.00 -0.29 N HETATM 2130 CH GLY A 143 52.172 -14.550 -22.785 1.00 0.17 C HETATM 2131 OH GLY A 143 53.219 -14.629 -22.286 1.00 -0.40 O HETATM 2132 CH3 GLY A 143 52.272 -13.640 -24.040 1.00 0.03 C HETATM 2133 H6 GLY A 143 51.283 -13.562 -24.516 1.00 0.05 H HETATM 2134 H7 GLY A 143 52.989 -14.075 -24.752 1.00 0.05 H HETATM 2135 H8 GLY A 143 52.615 -12.639 -23.741 1.00 0.05 H HETATM 2136 H9 GLY A 143 50.312 -15.176 -23.135 1.00 0.18 H HETATM 2137 H10 GLY A 143 51.265 -15.552 -20.410 1.00 0.05 H HETATM 2138 H11 GLY A 143 52.019 -16.843 -21.406 1.00 0.05 H HETATM 2139 H12 GLY A 143 49.707 -17.336 -22.302 1.00 0.03 H HETATM 2140 H13 GLY A 143 49.073 -16.238 -21.030 1.00 0.03 H HETATM 2141 H14 GLY A 143 50.318 -17.610 -19.272 1.00 0.03 H HETATM 2142 H15 GLY A 143 50.852 -18.738 -20.564 1.00 0.03 H HETATM 2143 H16 GLY A 143 48.306 -19.076 -21.040 1.00 0.03 H HETATM 2144 H17 GLY A 143 48.049 -18.313 -19.435 1.00 0.03 H HETATM 2145 C GLY A 143 49.368 -19.999 -17.883 1.00 0.20 C HETATM 2146 O GLY A 143 48.404 -20.010 -17.070 1.00 -0.39 O HETATM 2147 N GLY A 143 50.637 -19.766 -17.514 1.00 -0.27 N HETATM 2148 CA GLY A 143 51.141 -19.638 -16.057 1.00 0.12 C HETATM 2149 C GLY A 143 51.298 -20.891 -15.179 1.00 0.20 C HETATM 2150 O GLY A 143 51.280 -22.080 -15.681 1.00 -0.39 O HETATM 2151 N GLY A 143 51.434 -20.512 -13.912 1.00 -0.27 N HETATM 2152 CA GLY A 143 51.563 -21.474 -12.789 1.00 0.12 C HETATM 2153 C GLY A 143 50.343 -21.233 -11.950 1.00 0.20 C HETATM 2154 O GLY A 143 49.262 -21.192 -12.501 1.00 -0.39 O HETATM 2155 N GLY A 143 50.476 -21.053 -10.612 1.00 -0.26 N HETATM 2156 CA GLY A 143 49.243 -21.029 -9.752 1.00 0.13 C HETATM 2157 CB GLY A 143 49.692 -21.493 -8.355 1.00 -0.01 C HETATM 2158 CG GLY A 143 50.036 -22.982 -8.267 1.00 -0.05 C HETATM 2159 CD GLY A 143 50.301 -23.447 -6.793 1.00 -0.03 C HETATM 2160 CE GLY A 143 50.616 -24.932 -6.865 1.00 0.03 C HETATM 2161 NZ GLY A 143 51.084 -25.461 -5.494 1.00 -0.29 N HETATM 2162 CH GLY A 143 52.238 -25.991 -5.282 1.00 0.17 C HETATM 2163 OH GLY A 143 53.259 -26.200 -5.979 1.00 -0.40 O HETATM 2164 CH3 GLY A 143 52.167 -26.440 -3.713 1.00 0.03 C HETATM 2165 H26 GLY A 143 51.188 -26.163 -3.296 1.00 0.05 H HETATM 2166 H27 GLY A 143 52.963 -25.931 -3.150 1.00 0.05 H HETATM 2167 H28 GLY A 143 52.303 -27.529 -3.637 1.00 0.05 H HETATM 2168 H29 GLY A 143 50.452 -25.388 -4.722 1.00 0.18 H HETATM 2169 H30 GLY A 143 49.712 -25.478 -7.172 1.00 0.05 H HETATM 2170 H31 GLY A 143 51.413 -25.096 -7.606 1.00 0.05 H HETATM 2171 H32 GLY A 143 51.153 -22.897 -6.367 1.00 0.03 H HETATM 2172 H33 GLY A 143 49.408 -23.276 -6.173 1.00 0.03 H HETATM 2173 H34 GLY A 143 49.196 -23.564 -8.676 1.00 0.03 H HETATM 2174 H35 GLY A 143 50.939 -23.172 -8.865 1.00 0.03 H HETATM 2175 H36 GLY A 143 50.584 -20.916 -8.070 1.00 0.03 H HETATM 2176 H37 GLY A 143 48.878 -21.285 -7.645 1.00 0.03 H HETATM 2177 C GLY A 143 48.874 -19.601 -9.548 1.00 0.20 C HETATM 2178 O GLY A 143 49.426 -18.744 -10.194 1.00 -0.39 O HETATM 2179 N GLY A 143 47.939 -19.278 -8.652 1.00 -0.27 N HETATM 2180 CA GLY A 143 47.986 -17.932 -8.037 1.00 0.08 C HETATM 2181 C GLY A 143 46.662 -17.360 -7.549 1.00 0.06 C HETATM 2182 O GLY A 143 45.855 -16.842 -8.319 1.00 -0.57 O HETATM 2183 OXT GLY A 143 46.339 -17.390 -6.363 1.00 -0.57 O HETATM 2184 H41 GLY A 143 48.394 -17.237 -8.785 1.00 0.07 H HETATM 2185 H42 GLY A 143 48.666 -17.983 -7.174 1.00 0.07 H HETATM 2186 H40 GLY A 143 47.223 -19.930 -8.402 1.00 0.19 H HETATM 2187 H38 GLY A 143 48.423 -21.631 -10.170 1.00 0.08 H HETATM 2188 H39 GLY A 143 51.381 -20.938 -10.203 1.00 0.19 H HETATM 2189 H24 GLY A 143 52.478 -21.277 -12.211 1.00 0.08 H HETATM 2190 H25 GLY A 143 51.580 -22.509 -13.162 1.00 0.08 H HETATM 2191 H23 GLY A 143 51.450 -19.534 -13.706 1.00 0.19 H HETATM 2192 H21 GLY A 143 50.437 -18.973 -15.536 1.00 0.08 H HETATM 2193 H22 GLY A 143 52.130 -19.160 -16.105 1.00 0.08 H HETATM 2194 H20 GLY A 143 51.315 -19.667 -18.243 1.00 0.19 H HETATM 2195 H18 GLY A 143 50.007 -20.655 -19.814 1.00 0.08 H HETATM 2196 H19 GLY A 143 47.056 -20.890 -19.295 1.00 0.19 H HETATM 2197 H4 GLY A 143 46.474 -22.855 -21.520 1.00 0.11 H HETATM 2198 H5 GLY A 143 46.919 -24.202 -20.417 1.00 0.11 H HETATM 2199 H1 GLY A 143 44.806 -23.200 -19.804 1.00 0.20 H HETATM 2200 H2 GLY A 143 45.499 -21.719 -19.616 1.00 0.20 H HETATM 2201 H3 GLY A 143 45.906 -22.953 -18.606 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 989 990 997 998 999 CONECT 997 989 CONECT 998 989 CONECT 999 989 CONECT 2119 2120 2199 2200 2201 CONECT 2120 2119 2121 2197 2198 CONECT 2121 2120 2122 2123 CONECT 2122 2121 CONECT 2123 2121 2124 2196 CONECT 2124 2123 2125 2145 2195 CONECT 2125 2124 2126 2143 2144 CONECT 2126 2125 2127 2141 2142 CONECT 2127 2126 2128 2139 2140 CONECT 2128 2127 2129 2137 2138 CONECT 2129 2128 2130 2136 CONECT 2130 2129 2131 2132 CONECT 2131 2130 CONECT 2132 2130 2133 2134 2135 CONECT 2133 2132 CONECT 2134 2132 CONECT 2135 2132 CONECT 2136 2129 CONECT 2137 2128 CONECT 2138 2128 CONECT 2139 2127 CONECT 2140 2127 CONECT 2141 2126 CONECT 2142 2126 CONECT 2143 2125 CONECT 2144 2125 CONECT 2145 2124 2146 2147 CONECT 2146 2145 CONECT 2147 2145 2148 2194 CONECT 2148 2147 2149 2192 2193 CONECT 2149 2148 2150 2151 CONECT 2150 2149 CONECT 2151 2149 2152 2191 CONECT 2152 2151 2153 2189 2190 CONECT 2153 2152 2154 2155 CONECT 2154 2153 CONECT 2155 2153 2156 2188 CONECT 2156 2155 2157 2177 2187 CONECT 2157 2156 2158 2175 2176 CONECT 2158 2157 2159 2173 2174 CONECT 2159 2158 2160 2171 2172 CONECT 2160 2159 2161 2169 2170 CONECT 2161 2160 2162 2168 CONECT 2162 2161 2163 2164 CONECT 2163 2162 CONECT 2164 2162 2165 2166 2167 CONECT 2165 2164 CONECT 2166 2164 CONECT 2167 2164 CONECT 2168 2161 CONECT 2169 2160 CONECT 2170 2160 CONECT 2171 2159 CONECT 2172 2159 CONECT 2173 2158 CONECT 2174 2158 CONECT 2175 2157 CONECT 2176 2157 CONECT 2177 2156 2178 2179 CONECT 2178 2177 CONECT 2179 2177 2180 2186 CONECT 2180 2179 2181 2184 2185 CONECT 2181 2180 2182 2183 CONECT 2182 2181 CONECT 2183 2181 CONECT 2184 2180 CONECT 2185 2180 CONECT 2186 2179 CONECT 2187 2156 CONECT 2188 2155 CONECT 2189 2152 CONECT 2190 2152 CONECT 2191 2151 CONECT 2192 2148 CONECT 2193 2148 CONECT 2194 2147 CONECT 2195 2124 CONECT 2196 2123 CONECT 2197 2120 CONECT 2198 2120 CONECT 2199 2119 CONECT 2200 2119 CONECT 2201 2119 MASTER 0 0 0 0 0 0 0 0 2199 2 91 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4yyi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1m18
RCSB PDB
PDBbind
102aa, >1M18_3|Chains... at 92%
1m19
RCSB PDB
PDBbind
102aa, >1M19_3|Chains... at 92%
1m1a
RCSB PDB
PDBbind
102aa, >1M1A_3|Chains... at 92%
2h2h
RCSB PDB
PDBbind
11aa, >2H2H_2|Chain... at 100%
2kwn
RCSB PDB
PDBbind
15aa, >2KWN_1|Chain... at 93%
2kwo
RCSB PDB
PDBbind
20aa, >2KWO_1|Chain... at 100%
3cfs
RCSB PDB
PDBbind
15aa, >3CFS_2|Chain... at 100%
3cfv
RCSB PDB
PDBbind
18aa, >3CFV_2|Chains... at 100%
3qzv
RCSB PDB
PDBbind
11aa, >3QZV_2|Chain... at 100%
3uvw
RCSB PDB
PDBbind
12aa, >3UVW_2|Chain... at 91%
3uvx
RCSB PDB
PDBbind
11aa, >3UVX_2|Chain... at 90%
3uw9
RCSB PDB
PDBbind
11aa, >3UW9_2|Chains... at 100%
4kud
RCSB PDB
PDBbind
103aa, >4KUD_2|Chains... *
4m38
RCSB PDB
PDBbind
21aa, >4M38_2|Chains... at 95%
4psx
RCSB PDB
PDBbind
48aa, >4PSX_3|Chains... at 97%
4z2m
RCSB PDB
PDBbind
103aa, >4Z2M_3|Chains... at 92%
6buz
RCSB PDB
PDBbind
103aa, >6BUZ_2|Chains... at 92%
6o96
RCSB PDB
PDBbind
103aa, >6O96_2|Chains... at 92%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
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PDBbind
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11-mer
5ez0
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11-mer
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5jiy
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5lgq
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5nne
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5svx
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5svy
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PDBbind
11-mer
5tdr
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PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
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5tqs
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5vlk
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PDBbind
11-mer
5xhz
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PDBbind
11-mer
5ygd
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PDBbind
11-mer
6au5
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PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
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PDBbind
11-mer
6g8i
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6g6x
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Entry Information
PDB ID
4yyi
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 9, BRD9-KAc
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=64uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Structure Vol. 23: pp. 1801-1814
Ligand Properties
Formula
C
2
4
H
4
3
N
8
O
9
Molecular Weight
587.646
Exact Mass
587.315
No. of atoms
84
No. of bonds
83
Polar Surface Area
268.64
LOGP Value
-4.95 (
Computed with XLOGP3
)
-2.02 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 27
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 0
Canonical SMILES
[NH3+]CC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)O)CCCCNC(=O)C)CCCCNC(=O)C
InChI String
InChI=1S/C24H42N8O9/c1-15(33)26-9-5-3-7-17(31-19(35)11-25)23(40)29-12-20(36)28-13-21(37)32-18(24(41)30-14-22(38)39)8-4-6-10-27-16(2)34/h17-18H,3-14,25H2,1-2H3,(H,26,33)(H,27,34)(H,28,36)(H,29,40)(H,30,41)(H,31,35)(H,32,37)(H,38,39)/p+1/t17-,18-/m0/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):
Q9H8M2
P62805
Entrez Gene ID
NCBI Entrez Gene ID:
65980
121504
554313
8294
8359
8360
8361
8362
8363
8364
8365
8366
8367
8368
8370
ASD
Information of known allosteric effects of PDB entries
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