Browse entries in the PDBbind-CN Database
HEADER 6EFK_COMPLEX COMPND 6EFK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 132 SER PRO SER ALA GLN GLU LEU LYS GLU GLN GLY ASN ARG SEQRES 2 A 132 LEU PHE VAL GLY ARG LYS TYR PRO GLU ALA ALA ALA CYS SEQRES 3 A 132 TYR GLY ARG ALA ILE THR ARG ASN PRO LEU VAL ALA VAL SEQRES 4 A 132 TYR TYR THR ASN ARG ALA LEU CYS TYR LEU LYS MET GLN SEQRES 5 A 132 GLN HIS GLU GLN ALA LEU ALA ASP CYS ARG ARG ALA LEU SEQRES 6 A 132 GLU LEU ASP GLY GLN SER VAL LYS ALA HIS PHE PHE LEU SEQRES 7 A 132 GLY GLN CYS GLN LEU GLU MET GLU SER TYR ASP GLU ALA SEQRES 8 A 132 ILE ALA ASN LEU GLN ARG ALA TYR SER LEU ALA LYS GLU SEQRES 9 A 132 GLN ARG LEU ASN PHE GLY ASP ASP ILE PRO SER ALA LEU SEQRES 10 A 132 ARG ILE ALA LYS LYS LYS ARG TRP ASN SER ILE GLU GLU SEQRES 11 A 132 ARG ARG HET NA A 1 1 HET ACE A 276 84 ATOM 1 N SER A 23 9.688 13.684 54.915 1.00 62.44 N ATOM 2 CA SER A 23 9.640 15.117 55.107 1.00 64.17 C ATOM 3 C SER A 23 8.451 15.705 54.347 1.00 57.85 C ATOM 4 O SER A 23 7.698 16.488 54.923 1.00 70.41 O ATOM 5 CB SER A 23 10.974 15.781 54.735 1.00 71.07 C ATOM 6 OG SER A 23 12.029 15.289 55.548 1.00 74.74 O ATOM 7 HG SER A 23 12.877 15.731 55.290 1.00 0.00 H ATOM 8 HN3 SER A 23 9.791 13.474 53.902 1.00 0.00 H ATOM 9 HN2 SER A 23 8.808 13.258 55.271 1.00 0.00 H ATOM 10 HN1 SER A 23 10.499 13.293 55.435 1.00 0.00 H ATOM 11 N PRO A 24 8.252 15.326 53.082 1.00 40.28 N ATOM 12 CA PRO A 24 7.049 15.772 52.381 1.00 28.85 C ATOM 13 C PRO A 24 5.828 14.972 52.803 1.00 20.47 C ATOM 14 O PRO A 24 5.910 13.817 53.226 1.00 22.35 O ATOM 15 CB PRO A 24 7.382 15.521 50.907 1.00 27.72 C ATOM 16 CG PRO A 24 8.319 14.395 50.940 1.00 33.76 C ATOM 17 CD PRO A 24 9.161 14.614 52.160 1.00 34.16 C ATOM 18 N SER A 25 4.675 15.617 52.664 1.00 20.91 N ATOM 19 CA SER A 25 3.387 15.030 52.999 1.00 18.40 C ATOM 20 C SER A 25 2.893 14.124 51.875 1.00 16.34 C ATOM 21 O SER A 25 3.451 14.083 50.775 1.00 14.83 O ATOM 22 CB SER A 25 2.366 16.138 53.216 1.00 18.39 C ATOM 23 OG SER A 25 2.076 16.769 51.976 1.00 20.70 O ATOM 24 HG SER A 25 1.412 17.489 52.121 1.00 0.00 H ATOM 25 H SER A 25 4.694 16.590 52.297 1.00 0.00 H ATOM 26 N ALA A 26 1.810 13.394 52.158 1.00 13.09 N ATOM 27 CA ALA A 26 1.256 12.502 51.145 1.00 11.74 C ATOM 28 C ALA A 26 0.841 13.285 49.908 1.00 14.10 C ATOM 29 O ALA A 26 1.131 12.875 48.782 1.00 12.59 O ATOM 30 CB ALA A 26 0.074 11.718 51.707 1.00 12.17 C ATOM 31 H ALA A 26 1.364 13.461 53.095 1.00 0.00 H ATOM 32 N GLN A 27 0.194 14.438 50.103 1.00 14.98 N ATOM 33 CA GLN A 27 -0.234 15.241 48.965 1.00 18.31 C ATOM 34 C GLN A 27 0.960 15.753 48.166 1.00 16.19 C ATOM 35 O GLN A 27 0.947 15.726 46.928 1.00 14.71 O ATOM 36 CB GLN A 27 -1.123 16.395 49.443 1.00 20.90 C ATOM 37 CG GLN A 27 -1.493 17.385 48.349 1.00 27.85 C ATOM 38 CD GLN A 27 -2.385 16.778 47.280 1.00 40.94 C ATOM 39 OE1 GLN A 27 -3.098 15.807 47.528 1.00 46.35 O ATOM 40 NE2 GLN A 27 -2.351 17.354 46.080 1.00 44.47 N ATOM 41 HE22 GLN A 27 -1.733 18.174 45.914 1.00 0.00 H ATOM 42 HE21 GLN A 27 -2.942 16.984 45.309 1.00 0.00 H ATOM 43 H GLN A 27 -0.005 14.763 51.071 1.00 0.00 H ATOM 44 N GLU A 28 2.012 16.208 48.852 1.00 16.05 N ATOM 45 CA GLU A 28 3.200 16.668 48.137 1.00 14.25 C ATOM 46 C GLU A 28 3.851 15.543 47.345 1.00 12.61 C ATOM 47 O GLU A 28 4.366 15.765 46.243 1.00 13.76 O ATOM 48 CB GLU A 28 4.197 17.285 49.112 1.00 15.35 C ATOM 49 CG GLU A 28 3.673 18.559 49.738 1.00 20.88 C ATOM 50 CD GLU A 28 4.557 19.098 50.834 1.00 28.00 C ATOM 51 OE1 GLU A 28 5.300 18.316 51.457 1.00 28.14 O ATOM 52 OE2 GLU A 28 4.504 20.317 51.070 1.00 34.55 O ATOM 53 H GLU A 28 1.985 16.235 49.891 1.00 0.00 H ATOM 54 N LEU A 29 3.875 14.331 47.908 1.00 11.61 N ATOM 55 CA LEU A 29 4.453 13.202 47.198 1.00 10.35 C ATOM 56 C LEU A 29 3.600 12.810 46.006 1.00 10.54 C ATOM 57 O LEU A 29 4.138 12.436 44.954 1.00 10.88 O ATOM 58 CB LEU A 29 4.613 12.029 48.158 1.00 9.76 C ATOM 59 CG LEU A 29 5.718 12.254 49.183 1.00 12.12 C ATOM 60 CD1 LEU A 29 5.446 11.331 50.379 1.00 10.48 C ATOM 61 CD2 LEU A 29 7.069 11.956 48.541 1.00 11.68 C ATOM 62 H LEU A 29 3.478 14.195 48.860 1.00 0.00 H ATOM 63 N LYS A 30 2.268 12.876 46.150 1.00 12.27 N ATOM 64 CA LYS A 30 1.405 12.639 44.997 1.00 11.92 C ATOM 65 C LYS A 30 1.690 13.652 43.898 1.00 12.00 C ATOM 66 O LYS A 30 1.781 13.288 42.721 1.00 12.60 O ATOM 67 CB LYS A 30 -0.074 12.696 45.396 1.00 13.34 C ATOM 68 CG LYS A 30 -1.016 12.350 44.234 1.00 15.95 C ATOM 69 CD LYS A 30 -2.441 12.868 44.430 1.00 20.86 C ATOM 70 CE LYS A 30 -2.535 14.367 44.248 1.00 26.04 C ATOM 71 NZ LYS A 30 -3.963 14.788 44.118 1.00 22.96 N ATOM 72 HZ1 LYS A 30 -4.388 14.319 43.293 1.00 0.00 H ATOM 73 HZ2 LYS A 30 -4.483 14.518 44.977 1.00 0.00 H ATOM 74 HZ3 LYS A 30 -4.009 15.820 43.994 1.00 0.00 H ATOM 75 H LYS A 30 1.853 13.095 47.078 1.00 0.00 H ATOM 76 N GLU A 31 1.848 14.927 44.271 1.00 13.74 N ATOM 77 CA GLU A 31 2.132 15.972 43.291 1.00 12.66 C ATOM 78 C GLU A 31 3.470 15.734 42.596 1.00 16.09 C ATOM 79 O GLU A 31 3.587 15.936 41.382 1.00 14.88 O ATOM 80 CB GLU A 31 2.074 17.344 43.976 1.00 14.13 C ATOM 81 CG GLU A 31 0.663 17.732 44.440 1.00 15.77 C ATOM 82 CD GLU A 31 0.607 19.100 45.101 1.00 37.51 C ATOM 83 OE1 GLU A 31 1.662 19.758 45.222 1.00 36.51 O ATOM 84 OE2 GLU A 31 -0.503 19.521 45.493 1.00 40.13 O ATOM 85 H GLU A 31 1.767 15.179 45.277 1.00 0.00 H ATOM 86 N GLN A 32 4.490 15.292 43.348 1.00 12.43 N ATOM 87 CA GLN A 32 5.768 14.939 42.735 1.00 11.07 C ATOM 88 C GLN A 32 5.608 13.773 41.767 1.00 11.37 C ATOM 89 O GLN A 32 6.161 13.795 40.663 1.00 13.63 O ATOM 90 CB GLN A 32 6.805 14.611 43.809 1.00 13.97 C ATOM 91 CG GLN A 32 8.206 14.408 43.233 1.00 20.44 C ATOM 92 CD GLN A 32 9.224 13.949 44.267 1.00 31.51 C ATOM 93 OE1 GLN A 32 8.935 13.903 45.463 1.00 33.72 O ATOM 94 NE2 GLN A 32 10.426 13.615 43.805 1.00 38.84 N ATOM 95 HE22 GLN A 32 10.625 13.670 42.786 1.00 0.00 H ATOM 96 HE21 GLN A 32 11.167 13.299 44.463 1.00 0.00 H ATOM 97 H GLN A 32 4.369 15.200 44.377 1.00 0.00 H ATOM 98 N GLY A 33 4.859 12.746 42.168 1.00 11.45 N ATOM 99 CA GLY A 33 4.586 11.647 41.256 1.00 10.81 C ATOM 100 C GLY A 33 3.904 12.107 39.986 1.00 14.51 C ATOM 101 O GLY A 33 4.266 11.678 38.888 1.00 10.61 O ATOM 102 H GLY A 33 4.470 12.731 43.132 1.00 0.00 H ATOM 103 N ASN A 34 2.906 12.988 40.120 1.00 10.21 N ATOM 104 CA ASN A 34 2.183 13.492 38.956 1.00 10.62 C ATOM 105 C ASN A 34 3.100 14.266 38.011 1.00 14.75 C ATOM 106 O ASN A 34 2.957 14.181 36.783 1.00 11.96 O ATOM 107 CB ASN A 34 0.998 14.358 39.389 1.00 11.71 C ATOM 108 CG ASN A 34 -0.085 13.573 40.114 1.00 11.65 C ATOM 109 OD1 ASN A 34 -0.045 12.342 40.194 1.00 13.35 O ATOM 110 ND2 ASN A 34 -1.060 14.291 40.641 1.00 16.55 N ATOM 111 HD22 ASN A 34 -1.052 15.327 40.548 1.00 0.00 H ATOM 112 HD21 ASN A 34 -1.836 13.821 41.149 1.00 0.00 H ATOM 113 H ASN A 34 2.641 13.319 41.069 1.00 0.00 H ATOM 114 N ARG A 35 4.055 15.021 38.557 1.00 11.20 N ATOM 115 CA ARG A 35 5.005 15.720 37.698 1.00 11.71 C ATOM 116 C ARG A 35 5.891 14.734 36.942 1.00 14.59 C ATOM 117 O ARG A 35 6.133 14.914 35.743 1.00 15.04 O ATOM 118 CB ARG A 35 5.841 16.692 38.521 1.00 15.82 C ATOM 119 CG ARG A 35 5.106 17.932 38.963 1.00 18.42 C ATOM 120 CD ARG A 35 6.037 18.834 39.739 1.00 27.44 C ATOM 121 NE ARG A 35 7.225 19.126 38.949 1.00 35.79 N ATOM 122 CZ ARG A 35 7.285 20.071 38.016 1.00 40.30 C ATOM 123 NH1 ARG A 35 8.413 20.264 37.341 1.00 41.00 N ATOM 124 NH2 ARG A 35 6.220 20.828 37.757 1.00 37.87 N ATOM 125 HE ARG A 35 8.079 18.560 39.126 1.00 0.00 H ATOM 126 HH12 ARG A 35 8.462 21.003 36.611 1.00 0.00 H ATOM 127 HH11 ARG A 35 9.247 19.676 37.543 1.00 0.00 H ATOM 128 HH22 ARG A 35 6.272 21.566 37.026 1.00 0.00 H ATOM 129 HH21 ARG A 35 5.337 20.681 38.286 1.00 0.00 H ATOM 130 H ARG A 35 4.122 15.111 39.591 1.00 0.00 H ATOM 131 N LEU A 36 6.359 13.676 37.618 1.00 11.84 N ATOM 132 CA LEU A 36 7.173 12.657 36.960 1.00 14.14 C ATOM 133 C LEU A 36 6.376 11.913 35.897 1.00 14.98 C ATOM 134 O LEU A 36 6.918 11.567 34.838 1.00 13.35 O ATOM 135 CB LEU A 36 7.710 11.678 38.006 1.00 10.34 C ATOM 136 CG LEU A 36 8.869 12.243 38.821 1.00 12.39 C ATOM 137 CD1 LEU A 36 8.987 11.483 40.119 1.00 13.04 C ATOM 138 CD2 LEU A 36 10.172 12.165 38.030 1.00 17.65 C ATOM 139 H LEU A 36 6.139 13.578 38.630 1.00 0.00 H ATOM 140 N PHE A 37 5.091 11.660 36.164 1.00 11.84 N ATOM 141 CA PHE A 37 4.233 10.996 35.190 1.00 10.52 C ATOM 142 C PHE A 37 4.124 11.815 33.911 1.00 12.74 C ATOM 143 O PHE A 37 4.246 11.282 32.798 1.00 13.85 O ATOM 144 CB PHE A 37 2.843 10.777 35.780 1.00 10.56 C ATOM 145 CG PHE A 37 1.937 9.990 34.876 1.00 11.61 C ATOM 146 CD1 PHE A 37 1.913 8.604 34.951 1.00 11.37 C ATOM 147 CD2 PHE A 37 1.139 10.626 33.945 1.00 12.66 C ATOM 148 CE1 PHE A 37 1.101 7.865 34.103 1.00 15.22 C ATOM 149 CE2 PHE A 37 0.308 9.892 33.089 1.00 14.42 C ATOM 150 CZ PHE A 37 0.299 8.505 33.174 1.00 13.33 C ATOM 151 H PHE A 37 4.696 11.942 37.084 1.00 0.00 H ATOM 152 N VAL A 38 3.844 13.111 34.053 1.00 14.50 N ATOM 153 CA VAL A 38 3.750 13.988 32.892 1.00 16.62 C ATOM 154 C VAL A 38 5.076 14.039 32.148 1.00 15.82 C ATOM 155 O VAL A 38 5.111 14.176 30.916 1.00 19.54 O ATOM 156 CB VAL A 38 3.259 15.379 33.334 1.00 14.99 C ATOM 157 CG1 VAL A 38 3.389 16.376 32.205 1.00 21.99 C ATOM 158 CG2 VAL A 38 1.793 15.295 33.800 1.00 17.03 C ATOM 159 H VAL A 38 3.691 13.501 35.005 1.00 0.00 H ATOM 160 N GLY A 39 6.187 13.904 32.871 1.00 13.23 N ATOM 161 CA GLY A 39 7.512 13.804 32.278 1.00 16.10 C ATOM 162 C GLY A 39 7.867 12.450 31.697 1.00 11.54 C ATOM 163 O GLY A 39 8.990 12.273 31.211 1.00 13.96 O ATOM 164 H GLY A 39 6.103 13.868 33.907 1.00 0.00 H ATOM 165 N ARG A 40 6.944 11.487 31.750 1.00 12.20 N ATOM 166 CA ARG A 40 7.120 10.142 31.189 1.00 11.29 C ATOM 167 C ARG A 40 8.157 9.318 31.947 1.00 12.88 C ATOM 168 O ARG A 40 8.834 8.466 31.361 1.00 14.81 O ATOM 169 CB ARG A 40 7.392 10.170 29.674 1.00 14.90 C ATOM 170 CG ARG A 40 6.425 11.049 28.861 1.00 15.59 C ATOM 171 CD ARG A 40 6.663 10.952 27.343 1.00 14.10 C ATOM 172 NE ARG A 40 8.086 10.971 26.998 1.00 14.25 N ATOM 173 CZ ARG A 40 8.787 12.076 26.750 1.00 16.59 C ATOM 174 NH1 ARG A 40 8.194 13.258 26.784 1.00 18.59 N ATOM 175 NH2 ARG A 40 10.081 11.999 26.450 1.00 21.07 N ATOM 176 HE ARG A 40 8.583 10.059 26.943 1.00 0.00 H ATOM 177 HH12 ARG A 40 8.742 14.120 26.590 1.00 0.00 H ATOM 178 HH11 ARG A 40 7.180 13.325 27.004 1.00 0.00 H ATOM 179 HH22 ARG A 40 10.623 12.866 26.257 1.00 0.00 H ATOM 180 HH21 ARG A 40 10.551 11.072 26.408 1.00 0.00 H ATOM 181 H ARG A 40 6.042 11.704 32.219 1.00 0.00 H ATOM 182 N LYS A 41 8.279 9.573 33.250 1.00 12.71 N ATOM 183 CA LYS A 41 9.215 8.879 34.139 1.00 9.79 C ATOM 184 C LYS A 41 8.377 7.943 35.017 1.00 9.94 C ATOM 185 O LYS A 41 8.081 8.226 36.179 1.00 11.27 O ATOM 186 CB LYS A 41 9.995 9.908 34.989 1.00 9.78 C ATOM 187 CG LYS A 41 10.703 10.996 34.199 1.00 22.17 C ATOM 188 CD LYS A 41 11.803 10.440 33.341 1.00 28.21 C ATOM 189 CE LYS A 41 12.723 11.566 32.852 1.00 32.03 C ATOM 190 NZ LYS A 41 11.960 12.636 32.132 1.00 33.58 N ATOM 191 HZ1 LYS A 41 11.482 12.223 31.306 1.00 0.00 H ATOM 192 HZ2 LYS A 41 11.253 13.047 32.774 1.00 0.00 H ATOM 193 HZ3 LYS A 41 12.618 13.378 31.818 1.00 0.00 H ATOM 194 H LYS A 41 7.672 10.311 33.661 1.00 0.00 H ATOM 195 N TYR A 42 7.998 6.812 34.455 1.00 9.91 N ATOM 196 CA TYR A 42 6.931 6.016 35.048 1.00 9.57 C ATOM 197 C TYR A 42 7.363 5.215 36.272 1.00 10.60 C ATOM 198 O TYR A 42 6.636 5.201 37.276 1.00 10.91 O ATOM 199 CB TYR A 42 6.245 5.140 33.995 1.00 13.35 C ATOM 200 CG TYR A 42 5.635 5.979 32.889 1.00 13.87 C ATOM 201 CD1 TYR A 42 4.630 6.896 33.169 1.00 10.76 C ATOM 202 CD2 TYR A 42 6.078 5.871 31.579 1.00 14.65 C ATOM 203 CE1 TYR A 42 4.072 7.683 32.164 1.00 13.15 C ATOM 204 CE2 TYR A 42 5.526 6.649 30.570 1.00 15.13 C ATOM 205 CZ TYR A 42 4.523 7.547 30.867 1.00 16.30 C ATOM 206 OH TYR A 42 3.981 8.313 29.852 1.00 19.03 O ATOM 207 HH TYR A 42 3.278 8.903 30.224 1.00 0.00 H ATOM 208 H TYR A 42 8.463 6.486 33.584 1.00 0.00 H ATOM 209 N PRO A 43 8.513 4.527 36.248 1.00 9.55 N ATOM 210 CA PRO A 43 8.945 3.851 37.478 1.00 9.12 C ATOM 211 C PRO A 43 9.211 4.823 38.600 1.00 9.21 C ATOM 212 O PRO A 43 8.964 4.502 39.766 1.00 10.81 O ATOM 213 CB PRO A 43 10.224 3.118 37.047 1.00 12.33 C ATOM 214 CG PRO A 43 10.056 2.932 35.558 1.00 13.36 C ATOM 215 CD PRO A 43 9.393 4.191 35.110 1.00 13.51 C ATOM 216 N GLU A 44 9.723 6.006 38.274 1.00 10.96 N ATOM 217 CA GLU A 44 9.956 7.024 39.294 1.00 9.51 C ATOM 218 C GLU A 44 8.638 7.560 39.844 1.00 11.20 C ATOM 219 O GLU A 44 8.494 7.750 41.058 1.00 9.25 O ATOM 220 CB GLU A 44 10.791 8.148 38.688 1.00 12.12 C ATOM 221 CG GLU A 44 12.202 7.720 38.284 1.00 12.75 C ATOM 222 CD GLU A 44 12.331 7.181 36.850 1.00 19.26 C ATOM 223 OE1 GLU A 44 11.318 6.921 36.161 1.00 17.15 O ATOM 224 OE2 GLU A 44 13.487 7.007 36.412 1.00 25.67 O ATOM 225 H GLU A 44 9.960 6.208 37.282 1.00 0.00 H ATOM 226 N ALA A 45 7.667 7.806 38.967 1.00 9.33 N ATOM 227 CA ALA A 45 6.346 8.235 39.426 1.00 9.99 C ATOM 228 C ALA A 45 5.726 7.183 40.329 1.00 10.85 C ATOM 229 O ALA A 45 5.192 7.507 41.398 1.00 9.75 O ATOM 230 CB ALA A 45 5.436 8.492 38.222 1.00 8.40 C ATOM 231 H ALA A 45 7.849 7.692 37.949 1.00 0.00 H ATOM 232 N ALA A 46 5.810 5.908 39.928 1.00 9.65 N ATOM 233 CA ALA A 46 5.242 4.840 40.750 1.00 7.47 C ATOM 234 C ALA A 46 5.876 4.811 42.132 1.00 8.14 C ATOM 235 O ALA A 46 5.172 4.630 43.139 1.00 8.29 O ATOM 236 CB ALA A 46 5.391 3.492 40.048 1.00 8.92 C ATOM 237 H ALA A 46 6.280 5.677 39.030 1.00 0.00 H ATOM 238 N ALA A 47 7.200 4.997 42.209 1.00 7.31 N ATOM 239 CA ALA A 47 7.842 5.007 43.518 1.00 8.43 C ATOM 240 C ALA A 47 7.324 6.156 44.376 1.00 8.21 C ATOM 241 O ALA A 47 7.160 6.005 45.596 1.00 8.55 O ATOM 242 CB ALA A 47 9.365 5.101 43.358 1.00 10.58 C ATOM 243 H ALA A 47 7.763 5.133 41.345 1.00 0.00 H ATOM 244 N CYS A 48 7.084 7.321 43.761 1.00 8.66 N ATOM 245 CA CYS A 48 6.540 8.465 44.490 1.00 9.39 C ATOM 246 C CYS A 48 5.153 8.180 45.036 1.00 8.40 C ATOM 247 O CYS A 48 4.842 8.566 46.167 1.00 10.69 O ATOM 248 CB CYS A 48 6.452 9.687 43.583 1.00 17.49 C ATOM 249 SG CYS A 48 7.986 10.492 43.284 1.00 20.62 S ATOM 250 H CYS A 48 7.289 7.414 42.746 1.00 0.00 H ATOM 251 N TYR A 49 4.296 7.510 44.256 1.00 8.46 N ATOM 252 CA TYR A 49 2.999 7.118 44.789 1.00 7.43 C ATOM 253 C TYR A 49 3.160 6.109 45.919 1.00 8.91 C ATOM 254 O TYR A 49 2.442 6.170 46.921 1.00 8.33 O ATOM 255 CB TYR A 49 2.101 6.580 43.675 1.00 10.57 C ATOM 256 CG TYR A 49 1.879 7.575 42.567 1.00 9.43 C ATOM 257 CD1 TYR A 49 1.471 8.887 42.851 1.00 9.31 C ATOM 258 CD2 TYR A 49 2.077 7.211 41.232 1.00 10.07 C ATOM 259 CE1 TYR A 49 1.279 9.807 41.815 1.00 11.80 C ATOM 260 CE2 TYR A 49 1.868 8.117 40.189 1.00 11.10 C ATOM 261 CZ TYR A 49 1.487 9.413 40.491 1.00 10.68 C ATOM 262 OH TYR A 49 1.284 10.326 39.487 1.00 10.66 O ATOM 263 HH TYR A 49 1.018 11.194 39.881 1.00 0.00 H ATOM 264 H TYR A 49 4.554 7.271 43.277 1.00 0.00 H ATOM 265 N GLY A 50 4.148 5.217 45.810 1.00 10.30 N ATOM 266 CA GLY A 50 4.463 4.344 46.935 1.00 7.56 C ATOM 267 C GLY A 50 4.850 5.104 48.194 1.00 7.22 C ATOM 268 O GLY A 50 4.466 4.724 49.305 1.00 7.42 O ATOM 269 H GLY A 50 4.691 5.145 44.926 1.00 0.00 H ATOM 270 N ARG A 51 5.632 6.176 48.051 1.00 8.85 N ATOM 271 CA ARG A 51 5.934 6.996 49.224 1.00 7.81 C ATOM 272 C ARG A 51 4.681 7.669 49.778 1.00 8.04 C ATOM 273 O ARG A 51 4.524 7.791 50.996 1.00 8.68 O ATOM 274 CB ARG A 51 6.965 8.053 48.845 1.00 11.52 C ATOM 275 CG ARG A 51 8.305 7.504 48.415 1.00 13.09 C ATOM 276 CD ARG A 51 9.301 8.648 48.174 1.00 15.71 C ATOM 277 NE ARG A 51 9.594 9.417 49.382 1.00 17.67 N ATOM 278 CZ ARG A 51 10.243 10.578 49.382 1.00 21.91 C ATOM 279 NH1 ARG A 51 10.660 11.109 48.241 1.00 22.36 N ATOM 280 NH2 ARG A 51 10.480 11.206 50.518 1.00 20.52 N ATOM 281 HE ARG A 51 9.276 9.034 50.295 1.00 0.00 H ATOM 282 HH12 ARG A 51 11.167 12.017 48.245 1.00 0.00 H ATOM 283 HH11 ARG A 51 10.480 10.618 47.342 1.00 0.00 H ATOM 284 HH22 ARG A 51 10.988 12.114 50.514 1.00 0.00 H ATOM 285 HH21 ARG A 51 10.159 10.793 51.417 1.00 0.00 H ATOM 286 H ARG A 51 6.021 6.425 47.119 1.00 0.00 H ATOM 287 N ALA A 52 3.810 8.169 48.903 1.00 7.95 N ATOM 288 CA ALA A 52 2.560 8.746 49.372 1.00 9.16 C ATOM 289 C ALA A 52 1.745 7.718 50.153 1.00 10.31 C ATOM 290 O ALA A 52 1.128 8.043 51.177 1.00 11.42 O ATOM 291 CB ALA A 52 1.779 9.275 48.176 1.00 8.55 C ATOM 292 H ALA A 52 4.024 8.147 47.885 1.00 0.00 H ATOM 293 N ILE A 53 1.750 6.470 49.690 1.00 9.04 N ATOM 294 CA ILE A 53 1.015 5.405 50.370 1.00 11.00 C ATOM 295 C ILE A 53 1.576 5.172 51.771 1.00 11.70 C ATOM 296 O ILE A 53 0.823 4.877 52.709 1.00 12.11 O ATOM 297 CB ILE A 53 1.012 4.134 49.488 1.00 8.80 C ATOM 298 CG1 ILE A 53 0.099 4.355 48.277 1.00 9.66 C ATOM 299 CG2 ILE A 53 0.622 2.892 50.289 1.00 9.48 C ATOM 300 CD1 ILE A 53 0.306 3.351 47.136 1.00 13.09 C ATOM 301 H ILE A 53 2.287 6.248 48.828 1.00 0.00 H ATOM 302 N THR A 54 2.889 5.338 51.952 1.00 10.89 N ATOM 303 CA THR A 54 3.472 5.240 53.282 1.00 10.82 C ATOM 304 C THR A 54 2.899 6.301 54.229 1.00 13.53 C ATOM 305 O THR A 54 2.755 6.058 55.436 1.00 18.18 O ATOM 306 CB THR A 54 4.993 5.350 53.127 1.00 14.01 C ATOM 307 OG1 THR A 54 5.472 4.273 52.308 1.00 12.93 O ATOM 308 CG2 THR A 54 5.643 5.246 54.409 1.00 17.00 C ATOM 309 HG1 THR A 54 5.045 4.323 51.416 1.00 0.00 H ATOM 310 H THR A 54 3.500 5.539 51.135 1.00 0.00 H ATOM 311 N ARG A 55 2.570 7.482 53.706 1.00 9.60 N ATOM 312 CA ARG A 55 2.012 8.527 54.565 1.00 10.59 C ATOM 313 C ARG A 55 0.528 8.314 54.804 1.00 13.75 C ATOM 314 O ARG A 55 0.034 8.563 55.910 1.00 17.96 O ATOM 315 CB ARG A 55 2.179 9.906 53.934 1.00 14.78 C ATOM 316 CG ARG A 55 3.412 10.668 54.349 1.00 24.55 C ATOM 317 CD ARG A 55 4.648 9.889 54.024 1.00 24.51 C ATOM 318 NE ARG A 55 5.825 10.746 53.932 1.00 21.55 N ATOM 319 CZ ARG A 55 7.062 10.286 53.804 1.00 23.88 C ATOM 320 NH1 ARG A 55 8.075 11.135 53.719 1.00 26.07 N ATOM 321 NH2 ARG A 55 7.286 8.981 53.781 1.00 18.61 N ATOM 322 HE ARG A 55 5.686 11.776 53.969 1.00 0.00 H ATOM 323 HH12 ARG A 55 9.046 10.777 53.619 1.00 0.00 H ATOM 324 HH11 ARG A 55 7.899 12.159 53.753 1.00 0.00 H ATOM 325 HH22 ARG A 55 8.257 8.622 53.681 1.00 0.00 H ATOM 326 HH21 ARG A 55 6.491 8.315 53.863 1.00 0.00 H ATOM 327 H ARG A 55 2.709 7.660 52.691 1.00 0.00 H ATOM 328 N ASN A 56 -0.195 7.863 53.788 1.00 13.96 N ATOM 329 CA ASN A 56 -1.627 7.608 53.927 1.00 13.69 C ATOM 330 C ASN A 56 -1.981 6.486 52.972 1.00 12.65 C ATOM 331 O ASN A 56 -2.121 6.715 51.766 1.00 11.96 O ATOM 332 CB ASN A 56 -2.450 8.851 53.611 1.00 13.89 C ATOM 333 CG ASN A 56 -3.902 8.660 53.949 1.00 15.81 C ATOM 334 OD1 ASN A 56 -4.342 7.544 54.224 1.00 15.26 O ATOM 335 ND2 ASN A 56 -4.652 9.745 53.937 1.00 18.74 N ATOM 336 HD22 ASN A 56 -4.231 10.665 53.698 1.00 0.00 H ATOM 337 HD21 ASN A 56 -5.664 9.680 54.167 1.00 0.00 H ATOM 338 H ASN A 56 0.267 7.687 52.873 1.00 0.00 H ATOM 339 N PRO A 57 -2.135 5.262 53.465 1.00 12.65 N ATOM 340 CA PRO A 57 -2.447 4.125 52.588 1.00 12.45 C ATOM 341 C PRO A 57 -3.930 3.951 52.305 1.00 11.59 C ATOM 342 O PRO A 57 -4.302 2.962 51.671 1.00 12.80 O ATOM 343 CB PRO A 57 -1.919 2.933 53.394 1.00 12.25 C ATOM 344 CG PRO A 57 -2.152 3.351 54.815 1.00 13.25 C ATOM 345 CD PRO A 57 -1.897 4.844 54.856 1.00 14.41 C ATOM 346 N LEU A 58 -4.764 4.903 52.727 1.00 12.02 N ATOM 347 CA LEU A 58 -6.210 4.774 52.584 1.00 11.95 C ATOM 348 C LEU A 58 -6.789 5.694 51.508 1.00 13.59 C ATOM 349 O LEU A 58 -7.998 5.972 51.521 1.00 15.48 O ATOM 350 CB LEU A 58 -6.884 4.997 53.941 1.00 15.39 C ATOM 351 CG LEU A 58 -6.334 4.072 55.036 1.00 13.96 C ATOM 352 CD1 LEU A 58 -6.924 4.422 56.392 1.00 19.44 C ATOM 353 CD2 LEU A 58 -6.565 2.609 54.718 1.00 16.77 C ATOM 354 H LEU A 58 -4.373 5.759 53.169 1.00 0.00 H ATOM 355 N VAL A 59 -5.966 6.155 50.569 1.00 11.04 N ATOM 356 CA VAL A 59 -6.375 7.094 49.528 1.00 10.76 C ATOM 357 C VAL A 59 -6.385 6.341 48.203 1.00 11.44 C ATOM 358 O VAL A 59 -5.328 5.941 47.704 1.00 12.95 O ATOM 359 CB VAL A 59 -5.436 8.311 49.470 1.00 14.10 C ATOM 360 CG1 VAL A 59 -5.948 9.344 48.478 1.00 15.57 C ATOM 361 CG2 VAL A 59 -5.273 8.913 50.860 1.00 15.11 C ATOM 362 H VAL A 59 -4.978 5.829 50.577 1.00 0.00 H ATOM 363 N ALA A 60 -7.579 6.159 47.622 1.00 9.75 N ATOM 364 CA ALA A 60 -7.696 5.316 46.434 1.00 9.06 C ATOM 365 C ALA A 60 -6.905 5.877 45.257 1.00 10.54 C ATOM 366 O ALA A 60 -6.372 5.107 44.448 1.00 9.61 O ATOM 367 CB ALA A 60 -9.167 5.133 46.041 1.00 9.55 C ATOM 368 H ALA A 60 -8.424 6.619 48.017 1.00 0.00 H ATOM 369 N VAL A 61 -6.823 7.205 45.144 1.00 10.75 N ATOM 370 CA VAL A 61 -6.155 7.834 44.001 1.00 11.24 C ATOM 371 C VAL A 61 -4.681 7.446 43.907 1.00 10.06 C ATOM 372 O VAL A 61 -4.141 7.321 42.801 1.00 9.79 O ATOM 373 CB VAL A 61 -6.389 9.359 44.016 1.00 13.12 C ATOM 374 CG1 VAL A 61 -5.278 10.101 43.300 1.00 19.38 C ATOM 375 CG2 VAL A 61 -7.720 9.665 43.348 1.00 18.17 C ATOM 376 H VAL A 61 -7.242 7.806 45.883 1.00 0.00 H ATOM 377 N TYR A 62 -4.013 7.202 45.041 1.00 9.06 N ATOM 378 CA TYR A 62 -2.602 6.823 44.964 1.00 9.84 C ATOM 379 C TYR A 62 -2.444 5.491 44.252 1.00 9.35 C ATOM 380 O TYR A 62 -1.514 5.306 43.464 1.00 8.86 O ATOM 381 CB TYR A 62 -1.947 6.751 46.352 1.00 9.53 C ATOM 382 CG TYR A 62 -2.034 8.014 47.193 1.00 10.20 C ATOM 383 CD1 TYR A 62 -2.410 9.227 46.633 1.00 11.03 C ATOM 384 CD2 TYR A 62 -1.771 7.973 48.548 1.00 10.77 C ATOM 385 CE1 TYR A 62 -2.506 10.381 47.411 1.00 14.55 C ATOM 386 CE2 TYR A 62 -1.862 9.120 49.341 1.00 11.56 C ATOM 387 CZ TYR A 62 -2.242 10.319 48.760 1.00 14.94 C ATOM 388 OH TYR A 62 -2.355 11.472 49.517 1.00 15.13 O ATOM 389 HH TYR A 62 -2.635 12.222 48.934 1.00 0.00 H ATOM 390 H TYR A 62 -4.489 7.281 45.962 1.00 0.00 H ATOM 391 N TYR A 63 -3.363 4.555 44.509 1.00 8.42 N ATOM 392 CA TYR A 63 -3.306 3.237 43.888 1.00 9.16 C ATOM 393 C TYR A 63 -3.733 3.286 42.428 1.00 7.89 C ATOM 394 O TYR A 63 -3.158 2.586 41.592 1.00 8.96 O ATOM 395 CB TYR A 63 -4.166 2.228 44.660 1.00 9.23 C ATOM 396 CG TYR A 63 -3.731 2.029 46.088 1.00 8.63 C ATOM 397 CD1 TYR A 63 -2.697 1.168 46.415 1.00 10.42 C ATOM 398 CD2 TYR A 63 -4.375 2.705 47.113 1.00 10.32 C ATOM 399 CE1 TYR A 63 -2.315 0.996 47.742 1.00 9.32 C ATOM 400 CE2 TYR A 63 -3.992 2.558 48.425 1.00 10.56 C ATOM 401 CZ TYR A 63 -2.978 1.703 48.737 1.00 12.46 C ATOM 402 OH TYR A 63 -2.629 1.561 50.055 1.00 12.73 O ATOM 403 HH TYR A 63 -1.884 0.913 50.130 1.00 0.00 H ATOM 404 H TYR A 63 -4.138 4.772 45.168 1.00 0.00 H ATOM 405 N THR A 64 -4.724 4.111 42.084 1.00 9.26 N ATOM 406 CA THR A 64 -5.117 4.244 40.685 1.00 9.02 C ATOM 407 C THR A 64 -4.002 4.880 39.855 1.00 7.84 C ATOM 408 O THR A 64 -3.715 4.449 38.729 1.00 10.85 O ATOM 409 CB THR A 64 -6.384 5.091 40.641 1.00 10.11 C ATOM 410 OG1 THR A 64 -7.282 4.634 41.662 1.00 13.40 O ATOM 411 CG2 THR A 64 -7.046 4.981 39.299 1.00 9.87 C ATOM 412 HG1 THR A 64 -8.108 5.179 41.641 1.00 0.00 H ATOM 413 H THR A 64 -5.218 4.661 42.816 1.00 0.00 H ATOM 414 N ASN A 65 -3.386 5.941 40.387 1.00 8.09 N ATOM 415 CA ASN A 65 -2.247 6.556 39.705 1.00 8.36 C ATOM 416 C ASN A 65 -1.122 5.545 39.530 1.00 8.37 C ATOM 417 O ASN A 65 -0.510 5.460 38.456 1.00 8.78 O ATOM 418 CB ASN A 65 -1.721 7.745 40.515 1.00 10.56 C ATOM 419 CG ASN A 65 -2.608 8.982 40.434 1.00 9.18 C ATOM 420 OD1 ASN A 65 -3.667 8.994 39.785 1.00 11.39 O ATOM 421 ND2 ASN A 65 -2.172 10.044 41.112 1.00 10.25 N ATOM 422 HD22 ASN A 65 -1.279 9.991 41.643 1.00 0.00 H ATOM 423 HD21 ASN A 65 -2.725 10.925 41.110 1.00 0.00 H ATOM 424 H ASN A 65 -3.719 6.332 41.292 1.00 0.00 H ATOM 425 N ARG A 66 -0.810 4.785 40.589 1.00 8.32 N ATOM 426 CA ARG A 66 0.294 3.838 40.472 1.00 8.46 C ATOM 427 C ARG A 66 -0.053 2.711 39.507 1.00 10.90 C ATOM 428 O ARG A 66 0.807 2.256 38.747 1.00 8.62 O ATOM 429 CB ARG A 66 0.715 3.305 41.845 1.00 8.57 C ATOM 430 CG ARG A 66 2.056 2.550 41.736 1.00 8.91 C ATOM 431 CD ARG A 66 2.663 2.138 43.073 1.00 9.19 C ATOM 432 NE ARG A 66 1.784 1.215 43.777 1.00 11.21 N ATOM 433 CZ ARG A 66 2.089 0.648 44.936 1.00 15.08 C ATOM 434 NH1 ARG A 66 3.264 0.910 45.516 1.00 13.02 N ATOM 435 NH2 ARG A 66 1.207 -0.173 45.515 1.00 16.20 N ATOM 436 HE ARG A 66 0.865 0.988 43.346 1.00 0.00 H ATOM 437 HH12 ARG A 66 3.506 0.466 46.425 1.00 0.00 H ATOM 438 HH11 ARG A 66 3.937 1.557 45.058 1.00 0.00 H ATOM 439 HH22 ARG A 66 1.435 -0.624 46.424 1.00 0.00 H ATOM 440 HH21 ARG A 66 0.293 -0.361 45.056 1.00 0.00 H ATOM 441 H ARG A 66 -1.345 4.869 41.477 1.00 0.00 H ATOM 442 N ALA A 67 -1.325 2.283 39.492 1.00 10.90 N ATOM 443 CA ALA A 67 -1.754 1.256 38.545 1.00 8.30 C ATOM 444 C ALA A 67 -1.496 1.692 37.109 1.00 8.30 C ATOM 445 O ALA A 67 -1.049 0.887 36.274 1.00 8.61 O ATOM 446 CB ALA A 67 -3.245 0.940 38.743 1.00 8.55 C ATOM 447 H ALA A 67 -2.012 2.686 40.161 1.00 0.00 H ATOM 448 N LEU A 68 -1.780 2.959 36.799 1.00 8.26 N ATOM 449 CA LEU A 68 -1.534 3.455 35.445 1.00 9.15 C ATOM 450 C LEU A 68 -0.043 3.443 35.116 1.00 9.32 C ATOM 451 O LEU A 68 0.355 3.075 34.000 1.00 10.30 O ATOM 452 CB LEU A 68 -2.154 4.845 35.284 1.00 9.46 C ATOM 453 CG LEU A 68 -1.961 5.539 33.927 1.00 9.67 C ATOM 454 CD1 LEU A 68 -2.575 4.670 32.832 1.00 15.13 C ATOM 455 CD2 LEU A 68 -2.609 6.918 33.982 1.00 11.74 C ATOM 456 H LEU A 68 -2.177 3.594 37.521 1.00 0.00 H ATOM 457 N CYS A 69 0.805 3.795 36.086 1.00 9.05 N ATOM 458 CA CYS A 69 2.247 3.657 35.875 1.00 9.54 C ATOM 459 C CYS A 69 2.618 2.215 35.563 1.00 9.73 C ATOM 460 O CYS A 69 3.383 1.944 34.628 1.00 10.29 O ATOM 461 CB CYS A 69 3.012 4.131 37.112 1.00 9.59 C ATOM 462 SG CYS A 69 2.858 5.876 37.484 1.00 11.74 S ATOM 463 H CYS A 69 0.442 4.166 36.988 1.00 0.00 H ATOM 464 N TYR A 70 2.107 1.277 36.361 1.00 9.42 N ATOM 465 CA TYR A 70 2.438 -0.128 36.144 1.00 9.75 C ATOM 466 C TYR A 70 1.962 -0.611 34.781 1.00 10.05 C ATOM 467 O TYR A 70 2.642 -1.422 34.136 1.00 10.67 O ATOM 468 CB TYR A 70 1.874 -0.990 37.270 1.00 9.75 C ATOM 469 CG TYR A 70 2.624 -0.859 38.578 1.00 10.98 C ATOM 470 CD1 TYR A 70 3.993 -0.637 38.602 1.00 17.99 C ATOM 471 CD2 TYR A 70 1.958 -0.979 39.793 1.00 13.07 C ATOM 472 CE1 TYR A 70 4.685 -0.528 39.803 1.00 21.78 C ATOM 473 CE2 TYR A 70 2.641 -0.880 40.989 1.00 12.20 C ATOM 474 CZ TYR A 70 3.997 -0.648 40.996 1.00 20.46 C ATOM 475 OH TYR A 70 4.668 -0.542 42.202 1.00 18.03 O ATOM 476 HH TYR A 70 5.629 -0.376 42.030 1.00 0.00 H ATOM 477 H TYR A 70 1.472 1.547 37.139 1.00 0.00 H ATOM 478 N LEU A 71 0.804 -0.129 34.317 1.00 10.23 N ATOM 479 CA LEU A 71 0.350 -0.480 32.972 1.00 10.76 C ATOM 480 C LEU A 71 1.357 -0.027 31.929 1.00 10.80 C ATOM 481 O LEU A 71 1.721 -0.790 31.021 1.00 13.36 O ATOM 482 CB LEU A 71 -1.023 0.146 32.711 1.00 13.14 C ATOM 483 CG LEU A 71 -2.181 -0.653 33.295 1.00 20.72 C ATOM 484 CD1 LEU A 71 -3.485 0.088 33.035 1.00 17.85 C ATOM 485 CD2 LEU A 71 -2.212 -2.061 32.712 1.00 23.28 C ATOM 486 H LEU A 71 0.226 0.496 34.914 1.00 0.00 H ATOM 487 N LYS A 72 1.828 1.219 32.048 1.00 10.72 N ATOM 488 CA LYS A 72 2.833 1.730 31.110 1.00 12.63 C ATOM 489 C LYS A 72 4.128 0.926 31.181 1.00 12.05 C ATOM 490 O LYS A 72 4.843 0.812 30.182 1.00 13.80 O ATOM 491 CB LYS A 72 3.147 3.198 31.418 1.00 16.68 C ATOM 492 CG LYS A 72 1.993 4.176 31.357 1.00 19.27 C ATOM 493 CD LYS A 72 1.970 4.924 30.044 1.00 30.33 C ATOM 494 CE LYS A 72 0.957 6.057 30.082 1.00 36.13 C ATOM 495 NZ LYS A 72 -0.401 5.542 30.343 1.00 41.44 N ATOM 496 HZ1 LYS A 72 -0.670 4.878 29.589 1.00 0.00 H ATOM 497 HZ2 LYS A 72 -0.414 5.051 31.260 1.00 0.00 H ATOM 498 HZ3 LYS A 72 -1.073 6.335 30.364 1.00 0.00 H ATOM 499 H LYS A 72 1.478 1.831 32.813 1.00 0.00 H ATOM 500 N MET A 73 4.454 0.376 32.351 1.00 11.72 N ATOM 501 CA MET A 73 5.662 -0.409 32.555 1.00 12.36 C ATOM 502 C MET A 73 5.467 -1.884 32.214 1.00 12.72 C ATOM 503 O MET A 73 6.380 -2.685 32.422 1.00 14.89 O ATOM 504 CB MET A 73 6.119 -0.247 34.011 1.00 15.59 C ATOM 505 CG MET A 73 6.373 1.212 34.406 1.00 13.96 C ATOM 506 SD MET A 73 6.389 1.474 36.210 1.00 16.31 S ATOM 507 CE MET A 73 7.604 0.264 36.703 1.00 16.97 C ATOM 508 H MET A 73 3.813 0.515 33.158 1.00 0.00 H ATOM 509 N GLN A 74 4.308 -2.253 31.681 1.00 13.05 N ATOM 510 CA GLN A 74 3.974 -3.671 31.353 1.00 15.63 C ATOM 511 C GLN A 74 4.006 -4.554 32.606 1.00 13.83 C ATOM 512 O GLN A 74 4.287 -5.712 32.522 1.00 16.20 O ATOM 513 CB GLN A 74 4.861 -4.238 30.243 1.00 16.48 C ATOM 514 CG GLN A 74 4.870 -3.418 28.968 1.00 21.53 C ATOM 515 CD GLN A 74 3.568 -3.550 28.225 1.00 25.51 C ATOM 516 OE1 GLN A 74 3.041 -4.629 28.037 1.00 27.41 O ATOM 517 NE2 GLN A 74 3.043 -2.419 27.821 1.00 31.28 N ATOM 518 HE22 GLN A 74 3.535 -1.522 28.007 1.00 0.00 H ATOM 519 HE21 GLN A 74 2.135 -2.419 27.314 1.00 0.00 H ATOM 520 H GLN A 74 3.599 -1.519 31.482 1.00 0.00 H ATOM 521 N GLN A 75 3.671 -3.986 33.740 1.00 12.00 N ATOM 522 CA GLN A 75 3.659 -4.724 34.997 1.00 11.86 C ATOM 523 C GLN A 75 2.204 -5.031 35.373 1.00 13.00 C ATOM 524 O GLN A 75 1.642 -4.491 36.320 1.00 13.44 O ATOM 525 CB GLN A 75 4.353 -3.933 36.108 1.00 30.00 C ATOM 526 H GLN A 75 3.406 -2.980 33.742 1.00 0.00 H ATOM 527 N HIS A 76 1.585 -5.926 34.595 1.00 12.97 N ATOM 528 CA HIS A 76 0.130 -6.081 34.665 1.00 11.45 C ATOM 529 C HIS A 76 -0.318 -6.680 35.984 1.00 11.26 C ATOM 530 O HIS A 76 -1.367 -6.295 36.515 1.00 12.20 O ATOM 531 CB HIS A 76 -0.360 -6.940 33.509 1.00 12.20 C ATOM 532 CG HIS A 76 -0.083 -6.331 32.181 1.00 17.10 C ATOM 533 ND1 HIS A 76 1.091 -6.553 31.495 1.00 18.67 N ATOM 534 CD2 HIS A 76 -0.805 -5.472 31.428 1.00 17.51 C ATOM 535 CE1 HIS A 76 1.071 -5.868 30.365 1.00 17.61 C ATOM 536 NE2 HIS A 76 -0.063 -5.196 30.306 1.00 17.33 N ATOM 537 H HIS A 76 2.138 -6.513 33.939 1.00 0.00 H ATOM 538 N GLU A 77 0.444 -7.631 36.511 1.00 12.19 N ATOM 539 CA GLU A 77 0.084 -8.225 37.796 1.00 15.47 C ATOM 540 C GLU A 77 0.047 -7.167 38.892 1.00 14.65 C ATOM 541 O GLU A 77 -0.882 -7.144 39.707 1.00 11.89 O ATOM 542 CB GLU A 77 1.050 -9.353 38.155 1.00 20.98 C ATOM 543 CG GLU A 77 0.638 -10.699 37.576 1.00 40.85 C ATOM 544 CD GLU A 77 -0.741 -11.151 38.057 1.00 56.74 C ATOM 545 OE1 GLU A 77 -0.988 -11.145 39.286 1.00 61.24 O ATOM 546 OE2 GLU A 77 -1.582 -11.508 37.201 1.00 62.18 O ATOM 547 H GLU A 77 1.296 -7.953 36.009 1.00 0.00 H ATOM 548 N GLN A 78 1.046 -6.275 38.913 1.00 12.83 N ATOM 549 CA GLN A 78 1.089 -5.210 39.908 1.00 11.88 C ATOM 550 C GLN A 78 -0.012 -4.190 39.675 1.00 11.56 C ATOM 551 O GLN A 78 -0.584 -3.650 40.635 1.00 11.33 O ATOM 552 CB GLN A 78 2.457 -4.532 39.879 1.00 11.01 C ATOM 553 CG GLN A 78 3.601 -5.430 40.372 1.00 19.56 C ATOM 554 CD GLN A 78 4.316 -6.188 39.259 1.00 27.76 C ATOM 555 OE1 GLN A 78 3.699 -6.669 38.301 1.00 23.78 O ATOM 556 NE2 GLN A 78 5.634 -6.296 39.382 1.00 36.65 N ATOM 557 HE22 GLN A 78 6.116 -5.877 40.203 1.00 0.00 H ATOM 558 HE21 GLN A 78 6.184 -6.799 38.657 1.00 0.00 H ATOM 559 H GLN A 78 1.806 -6.343 38.206 1.00 0.00 H ATOM 560 N ALA A 79 -0.329 -3.920 38.407 1.00 9.55 N ATOM 561 CA ALA A 79 -1.418 -2.993 38.098 1.00 9.05 C ATOM 562 C ALA A 79 -2.755 -3.529 38.597 1.00 8.95 C ATOM 563 O ALA A 79 -3.549 -2.787 39.201 1.00 8.56 O ATOM 564 CB ALA A 79 -1.470 -2.734 36.595 1.00 9.41 C ATOM 565 H ALA A 79 0.201 -4.371 37.634 1.00 0.00 H ATOM 566 N LEU A 80 -3.021 -4.809 38.333 1.00 9.62 N ATOM 567 CA LEU A 80 -4.257 -5.452 38.780 1.00 9.76 C ATOM 568 C LEU A 80 -4.387 -5.348 40.291 1.00 10.55 C ATOM 569 O LEU A 80 -5.439 -4.959 40.812 1.00 10.68 O ATOM 570 CB LEU A 80 -4.262 -6.921 38.327 1.00 11.05 C ATOM 571 CG LEU A 80 -5.408 -7.817 38.793 1.00 21.93 C ATOM 572 CD1 LEU A 80 -6.532 -7.666 37.796 1.00 27.63 C ATOM 573 CD2 LEU A 80 -4.964 -9.266 38.865 1.00 27.14 C ATOM 574 H LEU A 80 -2.329 -5.367 37.793 1.00 0.00 H ATOM 575 N ALA A 81 -3.307 -5.657 41.007 1.00 9.61 N ATOM 576 CA ALA A 81 -3.321 -5.569 42.461 1.00 9.63 C ATOM 577 C ALA A 81 -3.638 -4.153 42.933 1.00 9.09 C ATOM 578 O ALA A 81 -4.413 -3.971 43.884 1.00 9.10 O ATOM 579 CB ALA A 81 -1.978 -6.053 43.005 1.00 10.57 C ATOM 580 H ALA A 81 -2.441 -5.966 40.521 1.00 0.00 H ATOM 581 N ASP A 82 -3.072 -3.138 42.292 1.00 8.74 N ATOM 582 CA ASP A 82 -3.365 -1.738 42.696 1.00 10.18 C ATOM 583 C ASP A 82 -4.827 -1.365 42.410 1.00 9.46 C ATOM 584 O ASP A 82 -5.421 -0.696 43.214 1.00 9.15 O ATOM 585 CB ASP A 82 -2.358 -0.780 42.076 1.00 30.00 C ATOM 586 CG ASP A 82 -1.064 -0.630 42.856 1.00 30.00 C ATOM 587 OD1 ASP A 82 -0.996 -1.100 43.989 1.00 30.00 O ATOM 588 OD2 ASP A 82 -0.192 0.021 42.330 1.00 30.00 O ATOM 589 H ASP A 82 -2.420 -3.323 41.503 1.00 0.00 H ATOM 590 N CYS A 83 -5.337 -1.792 41.264 1.00 8.68 N ATOM 591 CA CYS A 83 -6.746 -1.527 40.980 1.00 8.33 C ATOM 592 C CYS A 83 -7.642 -2.155 42.037 1.00 10.35 C ATOM 593 O CYS A 83 -8.624 -1.540 42.477 1.00 9.37 O ATOM 594 CB CYS A 83 -7.133 -2.049 39.594 1.00 8.82 C ATOM 595 SG CYS A 83 -6.436 -1.104 38.224 1.00 12.04 S ATOM 596 H CYS A 83 -4.746 -2.306 40.580 1.00 0.00 H ATOM 597 N ARG A 84 -7.302 -3.360 42.486 1.00 8.70 N ATOM 598 CA ARG A 84 -8.097 -4.011 43.527 1.00 9.11 C ATOM 599 C ARG A 84 -8.012 -3.248 44.843 1.00 9.12 C ATOM 600 O ARG A 84 -9.016 -3.110 45.547 1.00 11.28 O ATOM 601 CB ARG A 84 -7.649 -5.456 43.715 1.00 11.62 C ATOM 602 CG ARG A 84 -7.939 -6.349 42.523 1.00 15.48 C ATOM 603 CD ARG A 84 -9.387 -6.836 42.491 1.00 15.50 C ATOM 604 NE ARG A 84 -9.577 -7.739 41.359 1.00 18.84 N ATOM 605 CZ ARG A 84 -10.547 -7.635 40.458 1.00 16.90 C ATOM 606 NH1 ARG A 84 -11.483 -6.702 40.579 1.00 15.93 N ATOM 607 NH2 ARG A 84 -10.592 -8.500 39.446 1.00 16.34 N ATOM 608 HE ARG A 84 -8.902 -8.522 41.250 1.00 0.00 H ATOM 609 HH12 ARG A 84 -12.239 -6.628 39.868 1.00 0.00 H ATOM 610 HH11 ARG A 84 -11.461 -6.045 41.385 1.00 0.00 H ATOM 611 HH22 ARG A 84 -11.347 -8.429 38.734 1.00 0.00 H ATOM 612 HH21 ARG A 84 -9.872 -9.247 39.368 1.00 0.00 H ATOM 613 H ARG A 84 -6.467 -3.841 42.095 1.00 0.00 H ATOM 614 N ARG A 85 -6.821 -2.766 45.197 1.00 9.85 N ATOM 615 CA ARG A 85 -6.691 -1.950 46.404 1.00 9.13 C ATOM 616 C ARG A 85 -7.522 -0.682 46.296 1.00 12.36 C ATOM 617 O ARG A 85 -8.222 -0.300 47.245 1.00 10.73 O ATOM 618 CB ARG A 85 -5.225 -1.604 46.641 1.00 9.10 C ATOM 619 CG ARG A 85 -4.375 -2.812 46.896 1.00 18.46 C ATOM 620 CD ARG A 85 -2.900 -2.489 47.044 1.00 26.17 C ATOM 621 NE ARG A 85 -2.142 -3.732 47.129 1.00 31.40 N ATOM 622 CZ ARG A 85 -1.178 -4.082 46.286 1.00 33.19 C ATOM 623 NH1 ARG A 85 -0.813 -3.262 45.307 1.00 28.77 N ATOM 624 NH2 ARG A 85 -0.559 -5.246 46.446 1.00 33.67 N ATOM 625 HE ARG A 85 -2.372 -4.388 47.902 1.00 0.00 H ATOM 626 HH12 ARG A 85 -0.057 -3.541 44.649 1.00 0.00 H ATOM 627 HH11 ARG A 85 -1.283 -2.341 45.198 1.00 0.00 H ATOM 628 HH22 ARG A 85 0.197 -5.527 45.790 1.00 0.00 H ATOM 629 HH21 ARG A 85 -0.830 -5.876 47.228 1.00 0.00 H ATOM 630 H ARG A 85 -5.984 -2.970 44.615 1.00 0.00 H ATOM 631 N ALA A 86 -7.463 -0.017 45.144 1.00 10.62 N ATOM 632 CA ALA A 86 -8.241 1.195 44.948 1.00 9.50 C ATOM 633 C ALA A 86 -9.727 0.915 45.087 1.00 8.60 C ATOM 634 O ALA A 86 -10.455 1.704 45.691 1.00 11.56 O ATOM 635 CB ALA A 86 -7.969 1.779 43.564 1.00 8.93 C ATOM 636 H ALA A 86 -6.854 -0.368 44.377 1.00 0.00 H ATOM 637 N LEU A 87 -10.194 -0.204 44.525 1.00 8.63 N ATOM 638 CA LEU A 87 -11.617 -0.519 44.536 1.00 10.58 C ATOM 639 C LEU A 87 -12.116 -0.856 45.932 1.00 9.51 C ATOM 640 O LEU A 87 -13.300 -0.655 46.218 1.00 14.34 O ATOM 641 CB LEU A 87 -11.905 -1.658 43.559 1.00 16.10 C ATOM 642 CG LEU A 87 -11.844 -1.229 42.100 1.00 12.29 C ATOM 643 CD1 LEU A 87 -11.922 -2.435 41.189 1.00 12.60 C ATOM 644 CD2 LEU A 87 -12.982 -0.258 41.841 1.00 12.54 C ATOM 645 H LEU A 87 -9.529 -0.863 44.071 1.00 0.00 H ATOM 646 N GLU A 88 -11.245 -1.372 46.810 1.00 9.72 N ATOM 647 CA GLU A 88 -11.626 -1.603 48.205 1.00 10.40 C ATOM 648 C GLU A 88 -11.813 -0.291 48.946 1.00 13.58 C ATOM 649 O GLU A 88 -12.592 -0.226 49.907 1.00 16.03 O ATOM 650 CB GLU A 88 -10.552 -2.410 48.921 1.00 14.69 C ATOM 651 CG GLU A 88 -10.554 -3.885 48.618 1.00 20.67 C ATOM 652 CD GLU A 88 -9.800 -4.677 49.669 1.00 33.15 C ATOM 653 OE1 GLU A 88 -9.289 -5.771 49.342 1.00 35.91 O ATOM 654 OE2 GLU A 88 -9.706 -4.190 50.819 1.00 34.52 O ATOM 655 H GLU A 88 -10.283 -1.612 46.496 1.00 0.00 H ATOM 656 N LEU A 89 -11.129 0.758 48.505 1.00 10.17 N ATOM 657 CA LEU A 89 -11.203 2.067 49.140 1.00 11.59 C ATOM 658 C LEU A 89 -12.248 2.988 48.514 1.00 16.30 C ATOM 659 O LEU A 89 -12.824 3.825 49.220 1.00 19.22 O ATOM 660 CB LEU A 89 -9.831 2.744 49.070 1.00 10.71 C ATOM 661 CG LEU A 89 -8.755 2.060 49.905 1.00 11.32 C ATOM 662 CD1 LEU A 89 -7.365 2.479 49.448 1.00 13.75 C ATOM 663 CD2 LEU A 89 -8.972 2.372 51.391 1.00 13.53 C ATOM 664 H LEU A 89 -10.516 0.641 47.673 1.00 0.00 H ATOM 665 N ASP A 90 -12.499 2.865 47.202 1.00 12.10 N ATOM 666 CA ASP A 90 -13.476 3.682 46.471 1.00 12.12 C ATOM 667 C ASP A 90 -14.149 2.782 45.436 1.00 12.37 C ATOM 668 O ASP A 90 -13.688 2.675 44.295 1.00 11.79 O ATOM 669 CB ASP A 90 -12.811 4.895 45.826 1.00 12.59 C ATOM 670 CG ASP A 90 -13.794 5.764 45.054 1.00 15.26 C ATOM 671 OD1 ASP A 90 -15.018 5.548 45.171 1.00 14.90 O ATOM 672 OD2 ASP A 90 -13.342 6.669 44.326 1.00 20.36 O ATOM 673 H ASP A 90 -11.969 2.146 46.669 1.00 0.00 H ATOM 674 N GLY A 91 -15.264 2.161 45.842 1.00 11.48 N ATOM 675 CA GLY A 91 -15.984 1.248 44.969 1.00 11.55 C ATOM 676 C GLY A 91 -16.587 1.911 43.749 1.00 10.66 C ATOM 677 O GLY A 91 -16.926 1.218 42.783 1.00 13.32 O ATOM 678 H GLY A 91 -15.623 2.336 46.802 1.00 0.00 H ATOM 679 N GLN A 92 -16.725 3.236 43.765 1.00 12.02 N ATOM 680 CA GLN A 92 -17.297 3.977 42.646 1.00 11.55 C ATOM 681 C GLN A 92 -16.246 4.599 41.729 1.00 13.29 C ATOM 682 O GLN A 92 -16.598 5.444 40.897 1.00 13.51 O ATOM 683 CB GLN A 92 -18.224 5.087 43.155 1.00 13.63 C ATOM 684 CG GLN A 92 -19.273 4.627 44.163 1.00 17.94 C ATOM 685 CD GLN A 92 -20.226 3.620 43.577 1.00 19.64 C ATOM 686 OE1 GLN A 92 -20.270 2.468 44.014 1.00 23.13 O ATOM 687 NE2 GLN A 92 -20.991 4.035 42.572 1.00 20.14 N ATOM 688 HE22 GLN A 92 -20.920 5.017 42.236 1.00 0.00 H ATOM 689 HE21 GLN A 92 -21.660 3.378 42.122 1.00 0.00 H ATOM 690 H GLN A 92 -16.413 3.762 44.607 1.00 0.00 H ATOM 691 N SER A 93 -14.978 4.213 41.857 1.00 11.33 N ATOM 692 CA SER A 93 -13.917 4.852 41.085 1.00 10.94 C ATOM 693 C SER A 93 -14.031 4.508 39.604 1.00 10.56 C ATOM 694 O SER A 93 -13.867 3.351 39.208 1.00 8.38 O ATOM 695 CB SER A 93 -12.551 4.430 41.610 1.00 11.30 C ATOM 696 OG SER A 93 -11.542 4.896 40.717 1.00 10.35 O ATOM 697 HG SER A 93 -10.652 4.624 41.055 1.00 0.00 H ATOM 698 H SER A 93 -14.740 3.445 42.517 1.00 0.00 H ATOM 699 N VAL A 94 -14.259 5.531 38.777 1.00 8.65 N ATOM 700 CA VAL A 94 -14.279 5.335 37.329 1.00 10.96 C ATOM 701 C VAL A 94 -12.926 4.825 36.851 1.00 8.36 C ATOM 702 O VAL A 94 -12.829 3.852 36.082 1.00 8.64 O ATOM 703 CB VAL A 94 -14.655 6.659 36.645 1.00 8.98 C ATOM 704 CG1 VAL A 94 -14.407 6.592 35.148 1.00 10.51 C ATOM 705 CG2 VAL A 94 -16.111 6.965 36.923 1.00 9.73 C ATOM 706 H VAL A 94 -14.425 6.480 39.169 1.00 0.00 H ATOM 707 N LYS A 95 -11.856 5.477 37.303 1.00 9.85 N ATOM 708 CA LYS A 95 -10.535 5.141 36.781 1.00 8.01 C ATOM 709 C LYS A 95 -10.055 3.762 37.220 1.00 7.82 C ATOM 710 O LYS A 95 -9.397 3.073 36.438 1.00 10.79 O ATOM 711 CB LYS A 95 -9.524 6.244 37.072 1.00 10.50 C ATOM 712 CG LYS A 95 -9.692 7.436 36.105 1.00 10.36 C ATOM 713 CD LYS A 95 -8.566 8.422 36.251 1.00 14.93 C ATOM 714 CE LYS A 95 -8.856 9.672 35.487 1.00 15.64 C ATOM 715 NZ LYS A 95 -7.742 10.651 35.719 1.00 15.21 N ATOM 716 HZ1 LYS A 95 -7.676 10.865 36.735 1.00 0.00 H ATOM 717 HZ2 LYS A 95 -6.845 10.238 35.392 1.00 0.00 H ATOM 718 HZ3 LYS A 95 -7.935 11.526 35.191 1.00 0.00 H ATOM 719 H LYS A 95 -11.961 6.220 38.023 1.00 0.00 H ATOM 720 N ALA A 96 -10.380 3.322 38.446 1.00 7.77 N ATOM 721 CA ALA A 96 -9.965 1.981 38.852 1.00 7.84 C ATOM 722 C ALA A 96 -10.621 0.932 37.979 1.00 9.07 C ATOM 723 O ALA A 96 -9.977 -0.054 37.595 1.00 9.55 O ATOM 724 CB ALA A 96 -10.313 1.724 40.324 1.00 10.16 C ATOM 725 H ALA A 96 -10.919 3.927 39.098 1.00 0.00 H ATOM 726 N HIS A 97 -11.910 1.122 37.659 1.00 8.09 N ATOM 727 CA HIS A 97 -12.597 0.201 36.757 1.00 8.41 C ATOM 728 C HIS A 97 -12.007 0.258 35.355 1.00 8.50 C ATOM 729 O HIS A 97 -11.843 -0.780 34.705 1.00 8.80 O ATOM 730 CB HIS A 97 -14.103 0.490 36.697 1.00 8.68 C ATOM 731 CG HIS A 97 -14.865 0.007 37.894 1.00 8.86 C ATOM 732 ND1 HIS A 97 -15.099 0.804 38.992 1.00 10.54 N ATOM 733 CD2 HIS A 97 -15.436 -1.189 38.164 1.00 11.64 C ATOM 734 CE1 HIS A 97 -15.787 0.119 39.891 1.00 9.66 C ATOM 735 NE2 HIS A 97 -16.011 -1.091 39.411 1.00 12.07 N ATOM 736 H HIS A 97 -12.425 1.933 38.057 1.00 0.00 H ATOM 737 N PHE A 98 -11.698 1.461 34.870 1.00 8.39 N ATOM 738 CA PHE A 98 -11.166 1.606 33.517 1.00 8.63 C ATOM 739 C PHE A 98 -9.774 0.989 33.403 1.00 11.06 C ATOM 740 O PHE A 98 -9.489 0.234 32.460 1.00 9.61 O ATOM 741 CB PHE A 98 -11.141 3.084 33.116 1.00 8.65 C ATOM 742 CG PHE A 98 -10.738 3.313 31.686 1.00 9.97 C ATOM 743 CD1 PHE A 98 -11.689 3.323 30.669 1.00 12.38 C ATOM 744 CD2 PHE A 98 -9.412 3.487 31.360 1.00 9.55 C ATOM 745 CE1 PHE A 98 -11.312 3.527 29.348 1.00 14.53 C ATOM 746 CE2 PHE A 98 -9.031 3.677 30.026 1.00 10.77 C ATOM 747 CZ PHE A 98 -9.976 3.694 29.030 1.00 11.73 C ATOM 748 H PHE A 98 -11.837 2.305 35.461 1.00 0.00 H ATOM 749 N PHE A 99 -8.890 1.308 34.345 1.00 8.28 N ATOM 750 CA PHE A 99 -7.542 0.752 34.297 1.00 8.34 C ATOM 751 C PHE A 99 -7.572 -0.754 34.505 1.00 9.30 C ATOM 752 O PHE A 99 -6.786 -1.477 33.883 1.00 10.81 O ATOM 753 CB PHE A 99 -6.615 1.447 35.314 1.00 8.05 C ATOM 754 CG PHE A 99 -6.453 2.949 35.116 1.00 8.44 C ATOM 755 CD1 PHE A 99 -6.681 3.561 33.881 1.00 8.53 C ATOM 756 CD2 PHE A 99 -6.063 3.752 36.182 1.00 9.94 C ATOM 757 CE1 PHE A 99 -6.528 4.958 33.725 1.00 12.29 C ATOM 758 CE2 PHE A 99 -5.921 5.132 36.025 1.00 12.64 C ATOM 759 CZ PHE A 99 -6.154 5.732 34.798 1.00 11.00 C ATOM 760 H PHE A 99 -9.160 1.953 35.115 1.00 0.00 H ATOM 761 N LEU A 100 -8.487 -1.253 35.347 1.00 8.48 N ATOM 762 CA LEU A 100 -8.645 -2.694 35.491 1.00 8.86 C ATOM 763 C LEU A 100 -9.041 -3.323 34.172 1.00 12.35 C ATOM 764 O LEU A 100 -8.495 -4.358 33.779 1.00 11.84 O ATOM 765 CB LEU A 100 -9.694 -2.988 36.560 1.00 9.44 C ATOM 766 CG LEU A 100 -10.108 -4.426 36.804 1.00 13.39 C ATOM 767 CD1 LEU A 100 -8.876 -5.258 37.113 1.00 15.40 C ATOM 768 CD2 LEU A 100 -11.081 -4.452 37.951 1.00 13.50 C ATOM 769 H LEU A 100 -9.087 -0.609 35.900 1.00 0.00 H ATOM 770 N GLY A 101 -9.981 -2.699 33.465 1.00 9.45 N ATOM 771 CA GLY A 101 -10.392 -3.224 32.171 1.00 10.10 C ATOM 772 C GLY A 101 -9.268 -3.196 31.152 1.00 10.77 C ATOM 773 O GLY A 101 -9.114 -4.132 30.360 1.00 11.32 O ATOM 774 H GLY A 101 -10.423 -1.835 33.838 1.00 0.00 H ATOM 775 N GLN A 102 -8.492 -2.104 31.127 1.00 11.18 N ATOM 776 CA GLN A 102 -7.380 -2.028 30.180 1.00 14.88 C ATOM 777 C GLN A 102 -6.345 -3.093 30.496 1.00 12.46 C ATOM 778 O GLN A 102 -5.768 -3.709 29.587 1.00 13.66 O ATOM 779 CB GLN A 102 -6.742 -0.639 30.204 1.00 12.57 C ATOM 780 CG GLN A 102 -7.624 0.510 29.739 1.00 14.66 C ATOM 781 CD GLN A 102 -7.862 0.543 28.233 1.00 24.70 C ATOM 782 OE1 GLN A 102 -8.683 -0.202 27.703 1.00 25.76 O ATOM 783 NE2 GLN A 102 -7.158 1.431 27.545 1.00 31.29 N ATOM 784 HE22 GLN A 102 -6.473 2.043 28.033 1.00 0.00 H ATOM 785 HE21 GLN A 102 -7.291 1.516 26.517 1.00 0.00 H ATOM 786 H GLN A 102 -8.679 -1.315 31.778 1.00 0.00 H ATOM 787 N CYS A 103 -6.110 -3.329 31.783 1.00 13.21 N ATOM 788 CA CYS A 103 -5.176 -4.362 32.204 1.00 15.41 C ATOM 789 C CYS A 103 -5.654 -5.737 31.757 1.00 15.21 C ATOM 790 O CYS A 103 -4.882 -6.526 31.199 1.00 16.90 O ATOM 791 CB CYS A 103 -5.040 -4.301 33.722 1.00 19.62 C ATOM 792 SG CYS A 103 -3.733 -5.328 34.352 1.00 21.69 S ATOM 793 H CYS A 103 -6.604 -2.764 32.503 1.00 0.00 H ATOM 794 N GLN A 104 -6.934 -6.042 32.006 1.00 13.47 N ATOM 795 CA GLN A 104 -7.506 -7.318 31.585 1.00 13.57 C ATOM 796 C GLN A 104 -7.507 -7.467 30.060 1.00 13.03 C ATOM 797 O GLN A 104 -7.323 -8.572 29.541 1.00 14.37 O ATOM 798 CB GLN A 104 -8.917 -7.447 32.154 1.00 15.04 C ATOM 799 CG GLN A 104 -8.944 -7.558 33.678 1.00 13.58 C ATOM 800 CD GLN A 104 -10.328 -7.389 34.259 1.00 17.35 C ATOM 801 OE1 GLN A 104 -11.164 -6.684 33.701 1.00 13.03 O ATOM 802 NE2 GLN A 104 -10.576 -8.028 35.403 1.00 17.02 N ATOM 803 HE22 GLN A 104 -9.838 -8.615 35.841 1.00 0.00 H ATOM 804 HE21 GLN A 104 -11.507 -7.939 35.857 1.00 0.00 H ATOM 805 H GLN A 104 -7.533 -5.356 32.509 1.00 0.00 H ATOM 806 N LEU A 105 -7.720 -6.390 29.320 1.00 12.76 N ATOM 807 CA LEU A 105 -7.665 -6.482 27.836 1.00 13.64 C ATOM 808 C LEU A 105 -6.241 -6.873 27.401 1.00 15.17 C ATOM 809 O LEU A 105 -6.128 -7.768 26.568 1.00 17.38 O ATOM 810 CB LEU A 105 -8.035 -5.098 27.283 1.00 15.63 C ATOM 811 CG LEU A 105 -7.817 -4.935 25.788 1.00 25.81 C ATOM 812 CD1 LEU A 105 -8.699 -5.884 25.033 1.00 22.85 C ATOM 813 CD2 LEU A 105 -8.000 -3.504 25.348 1.00 24.09 C ATOM 814 H LEU A 105 -7.926 -5.479 29.777 1.00 0.00 H ATOM 815 N GLU A 106 -5.217 -6.240 27.970 1.00 19.33 N ATOM 816 CA GLU A 106 -3.855 -6.566 27.560 1.00 17.21 C ATOM 817 C GLU A 106 -3.484 -7.988 27.945 1.00 18.02 C ATOM 818 O GLU A 106 -2.670 -8.616 27.261 1.00 18.18 O ATOM 819 CB GLU A 106 -2.885 -5.535 28.128 1.00 18.82 C ATOM 820 CG GLU A 106 -3.192 -4.128 27.611 1.00 17.98 C ATOM 821 CD GLU A 106 -2.068 -3.131 27.824 1.00 26.72 C ATOM 822 OE1 GLU A 106 -1.011 -3.511 28.379 1.00 31.97 O ATOM 823 OE2 GLU A 106 -2.244 -1.958 27.417 1.00 24.81 O ATOM 824 H GLU A 106 -5.386 -5.519 28.700 1.00 0.00 H ATOM 825 N MET A 107 -4.105 -8.522 28.995 1.00 17.10 N ATOM 826 CA MET A 107 -3.954 -9.915 29.395 1.00 19.30 C ATOM 827 C MET A 107 -4.901 -10.865 28.667 1.00 23.79 C ATOM 828 O MET A 107 -4.942 -12.052 29.016 1.00 23.65 O ATOM 829 CB MET A 107 -4.166 -10.037 30.904 1.00 20.12 C ATOM 830 CG MET A 107 -3.158 -9.269 31.735 1.00 24.61 C ATOM 831 SD MET A 107 -3.693 -9.047 33.448 1.00 34.11 S ATOM 832 CE MET A 107 -4.296 -10.683 33.876 1.00 38.36 C ATOM 833 H MET A 107 -4.731 -7.913 29.559 1.00 0.00 H ATOM 834 N GLU A 108 -5.669 -10.378 27.690 1.00 17.43 N ATOM 835 CA GLU A 108 -6.553 -11.192 26.858 1.00 17.93 C ATOM 836 C GLU A 108 -7.726 -11.795 27.625 1.00 17.64 C ATOM 837 O GLU A 108 -8.291 -12.812 27.209 1.00 22.42 O ATOM 838 CB GLU A 108 -5.775 -12.239 26.045 1.00 23.51 C ATOM 839 CG GLU A 108 -4.681 -11.598 25.195 1.00 28.36 C ATOM 840 CD GLU A 108 -3.826 -12.607 24.451 1.00 40.16 C ATOM 841 OE1 GLU A 108 -2.907 -12.170 23.725 1.00 42.07 O ATOM 842 OE2 GLU A 108 -4.065 -13.827 24.591 1.00 43.52 O ATOM 843 H GLU A 108 -5.636 -9.354 27.509 1.00 0.00 H ATOM 844 N SER A 109 -8.114 -11.178 28.742 1.00 20.73 N ATOM 845 CA SER A 109 -9.313 -11.573 29.481 1.00 20.50 C ATOM 846 C SER A 109 -10.450 -10.657 29.030 1.00 18.80 C ATOM 847 O SER A 109 -10.865 -9.731 29.731 1.00 17.68 O ATOM 848 CB SER A 109 -9.056 -11.471 30.982 1.00 24.47 C ATOM 849 OG SER A 109 -10.148 -11.993 31.715 1.00 37.09 O ATOM 850 HG SER A 109 -9.960 -11.917 32.684 1.00 0.00 H ATOM 851 H SER A 109 -7.543 -10.387 29.101 1.00 0.00 H ATOM 852 N TYR A 110 -10.970 -10.948 27.834 1.00 16.97 N ATOM 853 CA TYR A 110 -11.770 -9.973 27.096 1.00 16.18 C ATOM 854 C TYR A 110 -13.117 -9.705 27.760 1.00 15.20 C ATOM 855 O TYR A 110 -13.545 -8.546 27.865 1.00 15.75 O ATOM 856 CB TYR A 110 -11.945 -10.437 25.645 1.00 17.07 C ATOM 857 CG TYR A 110 -10.642 -10.571 24.883 1.00 18.36 C ATOM 858 CD1 TYR A 110 -9.805 -9.479 24.702 1.00 22.97 C ATOM 859 CD2 TYR A 110 -10.247 -11.792 24.349 1.00 21.52 C ATOM 860 CE1 TYR A 110 -8.616 -9.596 24.007 1.00 24.30 C ATOM 861 CE2 TYR A 110 -9.062 -11.917 23.651 1.00 20.49 C ATOM 862 CZ TYR A 110 -8.251 -10.817 23.488 1.00 25.94 C ATOM 863 OH TYR A 110 -7.070 -10.938 22.799 1.00 29.47 O ATOM 864 HH TYR A 110 -6.612 -10.061 22.774 1.00 0.00 H ATOM 865 H TYR A 110 -10.802 -11.887 27.420 1.00 0.00 H ATOM 866 N ASP A 111 -13.814 -10.758 28.201 1.00 17.55 N ATOM 867 CA ASP A 111 -15.150 -10.560 28.765 1.00 20.38 C ATOM 868 C ASP A 111 -15.103 -9.782 30.074 1.00 17.17 C ATOM 869 O ASP A 111 -15.931 -8.889 30.303 1.00 15.70 O ATOM 870 CB ASP A 111 -15.862 -11.894 28.966 1.00 21.54 C ATOM 871 CG ASP A 111 -16.280 -12.523 27.661 1.00 30.64 C ATOM 872 OD1 ASP A 111 -16.496 -11.777 26.680 1.00 33.06 O ATOM 873 OD2 ASP A 111 -16.383 -13.760 27.614 1.00 36.73 O ATOM 874 H ASP A 111 -13.408 -11.714 28.143 1.00 0.00 H ATOM 875 N GLU A 112 -14.150 -10.107 30.950 1.00 18.07 N ATOM 876 CA GLU A 112 -13.965 -9.312 32.161 1.00 19.36 C ATOM 877 C GLU A 112 -13.585 -7.881 31.819 1.00 14.41 C ATOM 878 O GLU A 112 -14.069 -6.931 32.449 1.00 14.98 O ATOM 879 CB GLU A 112 -12.870 -9.926 33.032 1.00 25.07 C ATOM 880 CG GLU A 112 -13.204 -11.267 33.622 1.00 35.14 C ATOM 881 CD GLU A 112 -12.162 -11.722 34.623 1.00 45.87 C ATOM 882 OE1 GLU A 112 -12.464 -11.741 35.837 1.00 49.41 O ATOM 883 OE2 GLU A 112 -11.030 -12.041 34.200 1.00 51.12 O ATOM 884 H GLU A 112 -13.538 -10.928 30.770 1.00 0.00 H ATOM 885 N ALA A 113 -12.705 -7.710 30.832 1.00 10.72 N ATOM 886 CA ALA A 113 -12.274 -6.373 30.450 1.00 8.79 C ATOM 887 C ALA A 113 -13.466 -5.536 30.012 1.00 13.10 C ATOM 888 O ALA A 113 -13.623 -4.388 30.439 1.00 12.03 O ATOM 889 CB ALA A 113 -11.232 -6.455 29.332 1.00 11.75 C ATOM 890 H ALA A 113 -12.324 -8.538 30.331 1.00 0.00 H ATOM 891 N ILE A 114 -14.312 -6.099 29.149 1.00 11.32 N ATOM 892 CA ILE A 114 -15.468 -5.369 28.631 1.00 12.19 C ATOM 893 C ILE A 114 -16.435 -5.010 29.752 1.00 13.43 C ATOM 894 O ILE A 114 -16.969 -3.898 29.795 1.00 12.88 O ATOM 895 CB ILE A 114 -16.134 -6.171 27.499 1.00 11.78 C ATOM 896 CG1 ILE A 114 -15.178 -6.246 26.295 1.00 12.92 C ATOM 897 CG2 ILE A 114 -17.448 -5.536 27.092 1.00 16.06 C ATOM 898 CD1 ILE A 114 -15.573 -7.272 25.235 1.00 18.65 C ATOM 899 H ILE A 114 -14.146 -7.077 28.838 1.00 0.00 H ATOM 900 N ALA A 115 -16.667 -5.933 30.687 1.00 10.69 N ATOM 901 CA ALA A 115 -17.542 -5.620 31.813 1.00 9.98 C ATOM 902 C ALA A 115 -17.007 -4.442 32.626 1.00 9.54 C ATOM 903 O ALA A 115 -17.770 -3.551 33.031 1.00 10.36 O ATOM 904 CB ALA A 115 -17.716 -6.857 32.693 1.00 14.88 C ATOM 905 H ALA A 115 -16.226 -6.872 30.614 1.00 0.00 H ATOM 906 N ASN A 116 -15.701 -4.422 32.888 1.00 10.20 N ATOM 907 CA ASN A 116 -15.139 -3.339 33.695 1.00 8.10 C ATOM 908 C ASN A 116 -15.137 -2.019 32.937 1.00 8.26 C ATOM 909 O ASN A 116 -15.388 -0.960 33.526 1.00 10.54 O ATOM 910 CB ASN A 116 -13.738 -3.704 34.175 1.00 9.94 C ATOM 911 CG ASN A 116 -13.779 -4.527 35.427 1.00 10.21 C ATOM 912 OD1 ASN A 116 -14.331 -4.100 36.450 1.00 11.36 O ATOM 913 ND2 ASN A 116 -13.244 -5.730 35.353 1.00 12.23 N ATOM 914 HD22 ASN A 116 -12.791 -6.044 34.471 1.00 0.00 H ATOM 915 HD21 ASN A 116 -13.275 -6.365 36.176 1.00 0.00 H ATOM 916 H ASN A 116 -15.083 -5.174 32.520 1.00 0.00 H ATOM 917 N LEU A 117 -14.872 -2.066 31.626 1.00 10.14 N ATOM 918 CA LEU A 117 -14.978 -0.858 30.809 1.00 9.73 C ATOM 919 C LEU A 117 -16.412 -0.347 30.761 1.00 9.20 C ATOM 920 O LEU A 117 -16.649 0.868 30.825 1.00 11.80 O ATOM 921 CB LEU A 117 -14.454 -1.123 29.400 1.00 10.29 C ATOM 922 CG LEU A 117 -12.957 -1.445 29.289 1.00 8.73 C ATOM 923 CD1 LEU A 117 -12.640 -1.888 27.866 1.00 11.72 C ATOM 924 CD2 LEU A 117 -12.084 -0.232 29.686 1.00 11.79 C ATOM 925 H LEU A 117 -14.590 -2.965 31.187 1.00 0.00 H ATOM 926 N GLN A 118 -17.385 -1.254 30.619 1.00 10.18 N ATOM 927 CA GLN A 118 -18.781 -0.828 30.619 1.00 12.95 C ATOM 928 C GLN A 118 -19.167 -0.246 31.965 1.00 11.51 C ATOM 929 O GLN A 118 -19.932 0.717 32.037 1.00 10.91 O ATOM 930 CB GLN A 118 -19.703 -1.997 30.272 1.00 14.74 C ATOM 931 CG GLN A 118 -19.550 -2.512 28.868 1.00 21.95 C ATOM 932 CD GLN A 118 -20.403 -3.726 28.582 1.00 35.48 C ATOM 933 OE1 GLN A 118 -20.536 -4.619 29.422 1.00 40.78 O ATOM 934 NE2 GLN A 118 -20.979 -3.774 27.384 1.00 35.60 N ATOM 935 HE22 GLN A 118 -20.838 -2.997 26.708 1.00 0.00 H ATOM 936 HE21 GLN A 118 -21.570 -4.589 27.124 1.00 0.00 H ATOM 937 H GLN A 118 -17.147 -2.260 30.509 1.00 0.00 H ATOM 938 N ARG A 119 -18.654 -0.825 33.051 1.00 9.51 N ATOM 939 CA ARG A 119 -18.938 -0.273 34.367 1.00 9.30 C ATOM 940 C ARG A 119 -18.304 1.101 34.524 1.00 9.68 C ATOM 941 O ARG A 119 -18.914 2.000 35.108 1.00 8.85 O ATOM 942 CB ARG A 119 -18.429 -1.236 35.438 1.00 9.71 C ATOM 943 CG ARG A 119 -18.646 -0.779 36.880 1.00 9.19 C ATOM 944 CD ARG A 119 -20.142 -0.682 37.204 1.00 11.43 C ATOM 945 NE ARG A 119 -20.378 -0.420 38.631 1.00 10.81 N ATOM 946 CZ ARG A 119 -21.425 0.233 39.110 1.00 14.13 C ATOM 947 NH1 ARG A 119 -22.355 0.704 38.288 1.00 15.52 N ATOM 948 NH2 ARG A 119 -21.541 0.418 40.417 1.00 14.85 N ATOM 949 HE ARG A 119 -19.674 -0.772 39.311 1.00 0.00 H ATOM 950 HH12 ARG A 119 -23.175 1.216 38.670 1.00 0.00 H ATOM 951 HH11 ARG A 119 -22.263 0.561 37.262 1.00 0.00 H ATOM 952 HH22 ARG A 119 -22.362 0.930 40.799 1.00 0.00 H ATOM 953 HH21 ARG A 119 -20.812 0.051 41.061 1.00 0.00 H ATOM 954 H ARG A 119 -18.053 -1.668 32.958 1.00 0.00 H ATOM 955 N ALA A 120 -17.083 1.283 34.006 1.00 9.32 N ATOM 956 CA ALA A 120 -16.474 2.615 33.988 1.00 7.48 C ATOM 957 C ALA A 120 -17.359 3.626 33.262 1.00 8.72 C ATOM 958 O ALA A 120 -17.513 4.770 33.719 1.00 10.35 O ATOM 959 CB ALA A 120 -15.088 2.574 33.349 1.00 10.60 C ATOM 960 H ALA A 120 -16.563 0.472 33.613 1.00 0.00 H ATOM 961 N TYR A 121 -17.910 3.236 32.108 1.00 10.94 N ATOM 962 CA TYR A 121 -18.811 4.111 31.367 1.00 11.29 C ATOM 963 C TYR A 121 -20.021 4.495 32.215 1.00 10.74 C ATOM 964 O TYR A 121 -20.363 5.678 32.331 1.00 15.53 O ATOM 965 CB TYR A 121 -19.237 3.410 30.079 1.00 12.68 C ATOM 966 CG TYR A 121 -20.202 4.214 29.249 1.00 15.86 C ATOM 967 CD1 TYR A 121 -19.746 5.150 28.337 1.00 21.58 C ATOM 968 CD2 TYR A 121 -21.573 4.039 29.384 1.00 21.73 C ATOM 969 CE1 TYR A 121 -20.632 5.885 27.573 1.00 23.41 C ATOM 970 CE2 TYR A 121 -22.462 4.769 28.632 1.00 29.80 C ATOM 971 CZ TYR A 121 -21.988 5.690 27.732 1.00 32.82 C ATOM 972 OH TYR A 121 -22.879 6.420 26.980 1.00 38.01 O ATOM 973 HH TYR A 121 -22.381 7.035 26.385 1.00 0.00 H ATOM 974 H TYR A 121 -17.692 2.291 31.732 1.00 0.00 H ATOM 975 N SER A 122 -20.669 3.502 32.838 1.00 11.01 N ATOM 976 CA SER A 122 -21.863 3.777 33.634 1.00 12.25 C ATOM 977 C SER A 122 -21.551 4.677 34.818 1.00 12.00 C ATOM 978 O SER A 122 -22.325 5.585 35.139 1.00 13.29 O ATOM 979 CB SER A 122 -22.481 2.467 34.115 1.00 16.97 C ATOM 980 OG SER A 122 -23.016 1.742 33.026 1.00 29.50 O ATOM 981 HG SER A 122 -23.715 2.284 32.582 1.00 0.00 H ATOM 982 H SER A 122 -20.319 2.526 32.754 1.00 0.00 H ATOM 983 N LEU A 123 -20.424 4.437 35.493 1.00 11.09 N ATOM 984 CA LEU A 123 -20.056 5.291 36.620 1.00 13.85 C ATOM 985 C LEU A 123 -19.728 6.708 36.155 1.00 14.29 C ATOM 986 O LEU A 123 -20.105 7.689 36.808 1.00 13.76 O ATOM 987 CB LEU A 123 -18.888 4.670 37.386 1.00 10.82 C ATOM 988 CG LEU A 123 -19.173 3.386 38.159 1.00 9.50 C ATOM 989 CD1 LEU A 123 -17.842 2.700 38.490 1.00 12.59 C ATOM 990 CD2 LEU A 123 -19.968 3.673 39.445 1.00 13.38 C ATOM 991 H LEU A 123 -19.810 3.644 35.217 1.00 0.00 H ATOM 992 N ALA A 124 -19.052 6.835 35.015 1.00 10.29 N ATOM 993 CA ALA A 124 -18.751 8.157 34.478 1.00 12.26 C ATOM 994 C ALA A 124 -20.030 8.931 34.170 1.00 15.66 C ATOM 995 O ALA A 124 -20.112 10.140 34.420 1.00 18.50 O ATOM 996 CB ALA A 124 -17.894 8.020 33.222 1.00 11.63 C ATOM 997 H ALA A 124 -18.737 5.986 34.504 1.00 0.00 H ATOM 998 N LYS A 125 -21.035 8.252 33.617 1.00 16.22 N ATOM 999 CA LYS A 125 -22.315 8.903 33.352 1.00 18.52 C ATOM 1000 C LYS A 125 -22.953 9.390 34.644 1.00 19.78 C ATOM 1001 O LYS A 125 -23.401 10.538 34.737 1.00 20.23 O ATOM 1002 CB LYS A 125 -23.252 7.929 32.642 1.00 27.35 C ATOM 1003 CG LYS A 125 -22.733 7.442 31.308 1.00 35.85 C ATOM 1004 CD LYS A 125 -22.949 8.465 30.218 1.00 53.83 C ATOM 1005 CE LYS A 125 -24.383 8.429 29.727 1.00 67.19 C ATOM 1006 NZ LYS A 125 -24.751 7.058 29.272 1.00 73.62 N ATOM 1007 HZ1 LYS A 125 -24.122 6.772 28.495 1.00 0.00 H ATOM 1008 HZ2 LYS A 125 -24.650 6.392 30.065 1.00 0.00 H ATOM 1009 HZ3 LYS A 125 -25.737 7.057 28.940 1.00 0.00 H ATOM 1010 H LYS A 125 -20.906 7.249 33.372 1.00 0.00 H ATOM 1011 N GLU A 126 -23.011 8.522 35.654 1.00 20.57 N ATOM 1012 CA GLU A 126 -23.610 8.915 36.926 1.00 23.97 C ATOM 1013 C GLU A 126 -22.861 10.072 37.576 1.00 22.34 C ATOM 1014 O GLU A 126 -23.477 10.918 38.240 1.00 22.50 O ATOM 1015 CB GLU A 126 -23.665 7.722 37.879 1.00 23.98 C ATOM 1016 CG GLU A 126 -24.580 6.603 37.428 1.00 33.24 C ATOM 1017 CD GLU A 126 -25.999 7.078 37.173 1.00 48.73 C ATOM 1018 OE1 GLU A 126 -26.658 6.519 36.271 1.00 53.96 O ATOM 1019 OE2 GLU A 126 -26.456 8.010 37.872 1.00 53.97 O ATOM 1020 H GLU A 126 -22.628 7.562 35.536 1.00 0.00 H ATOM 1021 N GLN A 127 -21.547 10.133 37.395 1.00 17.53 N ATOM 1022 CA GLN A 127 -20.736 11.155 38.035 1.00 16.96 C ATOM 1023 C GLN A 127 -20.549 12.389 37.162 1.00 18.84 C ATOM 1024 O GLN A 127 -19.845 13.320 37.569 1.00 19.67 O ATOM 1025 CB GLN A 127 -19.389 10.559 38.470 1.00 14.01 C ATOM 1026 CG GLN A 127 -19.510 9.515 39.586 1.00 13.55 C ATOM 1027 CD GLN A 127 -18.248 8.711 39.808 1.00 13.92 C ATOM 1028 OE1 GLN A 127 -17.135 9.223 39.697 1.00 14.74 O ATOM 1029 NE2 GLN A 127 -18.417 7.434 40.094 1.00 14.35 N ATOM 1030 HE22 GLN A 127 -19.377 7.043 40.178 1.00 0.00 H ATOM 1031 HE21 GLN A 127 -17.590 6.819 40.235 1.00 0.00 H ATOM 1032 H GLN A 127 -21.087 9.432 36.780 1.00 0.00 H ATOM 1033 N ARG A 128 -21.162 12.415 35.978 1.00 22.23 N ATOM 1034 CA ARG A 128 -21.090 13.574 35.082 1.00 19.63 C ATOM 1035 C ARG A 128 -19.653 13.850 34.649 1.00 20.65 C ATOM 1036 O ARG A 128 -19.222 15.001 34.543 1.00 18.86 O ATOM 1037 CB ARG A 128 -21.746 14.811 35.698 1.00 20.77 C ATOM 1038 CG ARG A 128 -23.180 14.577 36.167 1.00 34.17 C ATOM 1039 CD ARG A 128 -24.078 14.135 35.018 1.00 42.67 C ATOM 1040 NE ARG A 128 -25.483 14.044 35.420 1.00 48.28 N ATOM 1041 CZ ARG A 128 -26.118 12.905 35.690 1.00 48.66 C ATOM 1042 NH1 ARG A 128 -25.481 11.743 35.597 1.00 45.69 N ATOM 1043 NH2 ARG A 128 -27.398 12.929 36.048 1.00 50.10 N ATOM 1044 HE ARG A 128 -26.022 14.930 35.500 1.00 0.00 H ATOM 1045 HH12 ARG A 128 -25.982 10.857 35.809 1.00 0.00 H ATOM 1046 HH11 ARG A 128 -24.481 11.719 35.312 1.00 0.00 H ATOM 1047 HH22 ARG A 128 -27.896 12.041 36.259 1.00 0.00 H ATOM 1048 HH21 ARG A 128 -27.902 13.836 36.117 1.00 0.00 H ATOM 1049 H ARG A 128 -21.711 11.584 35.679 1.00 0.00 H ATOM 1050 N LEU A 129 -18.910 12.777 34.405 1.00 18.37 N ATOM 1051 CA LEU A 129 -17.537 12.840 33.937 1.00 15.26 C ATOM 1052 C LEU A 129 -17.511 12.562 32.446 1.00 18.33 C ATOM 1053 O LEU A 129 -18.270 11.725 31.948 1.00 22.36 O ATOM 1054 CB LEU A 129 -16.693 11.788 34.650 1.00 16.79 C ATOM 1055 CG LEU A 129 -16.398 12.064 36.119 1.00 19.04 C ATOM 1056 CD1 LEU A 129 -15.720 10.881 36.766 1.00 18.81 C ATOM 1057 CD2 LEU A 129 -15.504 13.282 36.182 1.00 24.95 C ATOM 1058 H LEU A 129 -19.335 11.840 34.557 1.00 0.00 H ATOM 1059 N ASN A 130 -16.638 13.271 31.736 1.00 15.02 N ATOM 1060 CA ASN A 130 -16.465 13.078 30.305 1.00 18.92 C ATOM 1061 C ASN A 130 -14.986 13.157 29.979 1.00 22.21 C ATOM 1062 O ASN A 130 -14.293 14.074 30.432 1.00 20.63 O ATOM 1063 CB ASN A 130 -17.220 14.153 29.527 1.00 21.69 C ATOM 1064 CG ASN A 130 -18.693 14.161 29.857 1.00 30.27 C ATOM 1065 OD1 ASN A 130 -19.437 13.298 29.401 1.00 31.63 O ATOM 1066 ND2 ASN A 130 -19.122 15.128 30.669 1.00 32.24 N ATOM 1067 HD22 ASN A 130 -18.454 15.838 31.031 1.00 0.00 H ATOM 1068 HD21 ASN A 130 -20.125 15.172 30.941 1.00 0.00 H ATOM 1069 H ASN A 130 -16.060 13.987 32.220 1.00 0.00 H ATOM 1070 N PHE A 131 -14.511 12.201 29.197 1.00 14.43 N ATOM 1071 CA PHE A 131 -13.101 12.088 28.858 1.00 14.53 C ATOM 1072 C PHE A 131 -12.900 12.112 27.350 1.00 21.42 C ATOM 1073 O PHE A 131 -12.088 11.363 26.805 1.00 19.24 O ATOM 1074 CB PHE A 131 -12.508 10.828 29.472 1.00 14.44 C ATOM 1075 CG PHE A 131 -12.639 10.759 30.970 1.00 16.62 C ATOM 1076 CD1 PHE A 131 -11.770 11.458 31.787 1.00 16.97 C ATOM 1077 CD2 PHE A 131 -13.623 9.972 31.560 1.00 13.60 C ATOM 1078 CE1 PHE A 131 -11.883 11.391 33.167 1.00 15.34 C ATOM 1079 CE2 PHE A 131 -13.745 9.894 32.949 1.00 17.20 C ATOM 1080 CZ PHE A 131 -12.870 10.603 33.757 1.00 16.31 C ATOM 1081 H PHE A 131 -15.174 11.501 28.808 1.00 0.00 H ATOM 1082 N GLY A 132 -13.648 12.965 26.658 1.00 17.58 N ATOM 1083 CA GLY A 132 -13.485 13.088 25.217 1.00 24.25 C ATOM 1084 C GLY A 132 -13.741 11.807 24.452 1.00 26.47 C ATOM 1085 O GLY A 132 -13.067 11.545 23.448 1.00 28.22 O ATOM 1086 H GLY A 132 -14.355 13.549 27.150 1.00 0.00 H ATOM 1087 N ASP A 133 -14.686 10.994 24.917 1.00 24.59 N ATOM 1088 CA ASP A 133 -15.077 9.728 24.297 1.00 26.44 C ATOM 1089 C ASP A 133 -14.045 8.608 24.462 1.00 18.90 C ATOM 1090 O ASP A 133 -14.111 7.600 23.748 1.00 17.98 O ATOM 1091 CB ASP A 133 -15.503 9.896 22.835 1.00 30.00 C ATOM 1092 H ASP A 133 -15.183 11.279 25.785 1.00 0.00 H ATOM 1093 N ASP A 134 -13.101 8.764 25.399 1.00 14.18 N ATOM 1094 CA ASP A 134 -12.107 7.727 25.674 1.00 13.45 C ATOM 1095 C ASP A 134 -12.743 6.407 26.093 1.00 16.67 C ATOM 1096 O ASP A 134 -12.239 5.332 25.743 1.00 14.79 O ATOM 1097 CB ASP A 134 -11.191 8.178 26.805 1.00 12.71 C ATOM 1098 CG ASP A 134 -10.027 9.004 26.336 1.00 18.66 C ATOM 1099 OD1 ASP A 134 -9.918 9.300 25.128 1.00 18.26 O ATOM 1100 OD2 ASP A 134 -9.213 9.368 27.205 1.00 16.65 O ATOM 1101 H ASP A 134 -13.074 9.648 25.947 1.00 0.00 H ATOM 1102 N ILE A 135 -13.804 6.457 26.891 1.00 12.22 N ATOM 1103 CA ILE A 135 -14.371 5.208 27.396 1.00 12.14 C ATOM 1104 C ILE A 135 -15.086 4.449 26.283 1.00 13.11 C ATOM 1105 O ILE A 135 -14.794 3.259 26.095 1.00 10.50 O ATOM 1106 CB ILE A 135 -15.252 5.405 28.641 1.00 9.02 C ATOM 1107 CG1 ILE A 135 -14.444 6.067 29.765 1.00 9.63 C ATOM 1108 CG2 ILE A 135 -15.799 4.053 29.092 1.00 10.11 C ATOM 1109 CD1 ILE A 135 -15.270 6.325 31.033 1.00 11.28 C ATOM 1110 H ILE A 135 -14.225 7.371 27.153 1.00 0.00 H ATOM 1111 N PRO A 136 -16.020 5.059 25.533 1.00 12.71 N ATOM 1112 CA PRO A 136 -16.584 4.341 24.375 1.00 12.86 C ATOM 1113 C PRO A 136 -15.529 3.888 23.384 1.00 12.70 C ATOM 1114 O PRO A 136 -15.659 2.809 22.795 1.00 11.94 O ATOM 1115 CB PRO A 136 -17.534 5.368 23.742 1.00 16.02 C ATOM 1116 CG PRO A 136 -17.855 6.299 24.817 1.00 19.24 C ATOM 1117 CD PRO A 136 -16.685 6.359 25.737 1.00 13.65 C ATOM 1118 N SER A 137 -14.491 4.696 23.165 1.00 15.42 N ATOM 1119 CA SER A 137 -13.439 4.298 22.235 1.00 17.23 C ATOM 1120 C SER A 137 -12.718 3.054 22.717 1.00 11.50 C ATOM 1121 O SER A 137 -12.405 2.162 21.921 1.00 15.98 O ATOM 1122 CB SER A 137 -12.441 5.435 22.056 1.00 18.81 C ATOM 1123 OG SER A 137 -13.053 6.511 21.382 1.00 20.72 O ATOM 1124 HG SER A 137 -13.825 6.834 21.911 1.00 0.00 H ATOM 1125 H SER A 137 -14.431 5.610 23.657 1.00 0.00 H ATOM 1126 N ALA A 138 -12.442 2.975 24.021 1.00 9.79 N ATOM 1127 CA ALA A 138 -11.758 1.813 24.571 1.00 9.35 C ATOM 1128 C ALA A 138 -12.643 0.576 24.522 1.00 13.10 C ATOM 1129 O ALA A 138 -12.155 -0.531 24.266 1.00 12.63 O ATOM 1130 CB ALA A 138 -11.311 2.102 26.008 1.00 11.80 C ATOM 1131 H ALA A 138 -12.719 3.754 24.652 1.00 0.00 H ATOM 1132 N LEU A 139 -13.946 0.740 24.772 1.00 11.98 N ATOM 1133 CA LEU A 139 -14.874 -0.374 24.633 1.00 15.88 C ATOM 1134 C LEU A 139 -14.852 -0.940 23.222 1.00 12.21 C ATOM 1135 O LEU A 139 -14.871 -2.164 23.039 1.00 11.90 O ATOM 1136 CB LEU A 139 -16.293 0.077 24.981 1.00 13.66 C ATOM 1137 CG LEU A 139 -16.643 0.024 26.466 1.00 18.44 C ATOM 1138 CD1 LEU A 139 -17.872 0.890 26.737 1.00 15.03 C ATOM 1139 CD2 LEU A 139 -16.892 -1.420 26.911 1.00 12.29 C ATOM 1140 H LEU A 139 -14.300 1.672 25.069 1.00 0.00 H ATOM 1141 N ARG A 140 -14.869 -0.065 22.211 1.00 12.74 N ATOM 1142 CA ARG A 140 -14.827 -0.547 20.838 1.00 14.75 C ATOM 1143 C ARG A 140 -13.516 -1.263 20.552 1.00 13.80 C ATOM 1144 O ARG A 140 -13.513 -2.330 19.937 1.00 14.63 O ATOM 1145 CB ARG A 140 -15.058 0.605 19.864 1.00 20.84 C ATOM 1146 CG ARG A 140 -16.531 0.938 19.661 1.00 28.01 C ATOM 1147 CD ARG A 140 -16.719 1.980 18.569 1.00 32.47 C ATOM 1148 NE ARG A 140 -15.998 3.222 18.851 1.00 35.69 N ATOM 1149 CZ ARG A 140 -16.524 4.275 19.471 1.00 36.13 C ATOM 1150 NH1 ARG A 140 -17.784 4.249 19.888 1.00 36.87 N ATOM 1151 NH2 ARG A 140 -15.789 5.357 19.676 1.00 35.58 N ATOM 1152 HE ARG A 140 -15.006 3.286 18.546 1.00 0.00 H ATOM 1153 HH12 ARG A 140 -18.189 5.076 20.372 1.00 0.00 H ATOM 1154 HH11 ARG A 140 -18.366 3.402 19.731 1.00 0.00 H ATOM 1155 HH22 ARG A 140 -16.200 6.180 20.161 1.00 0.00 H ATOM 1156 HH21 ARG A 140 -14.801 5.383 19.352 1.00 0.00 H ATOM 1157 H ARG A 140 -14.912 0.956 22.405 1.00 0.00 H ATOM 1158 N ILE A 141 -12.393 -0.721 21.033 1.00 13.89 N ATOM 1159 CA ILE A 141 -11.110 -1.396 20.842 1.00 17.47 C ATOM 1160 C ILE A 141 -11.135 -2.770 21.507 1.00 18.26 C ATOM 1161 O ILE A 141 -10.690 -3.764 20.925 1.00 14.59 O ATOM 1162 CB ILE A 141 -9.951 -0.506 21.342 1.00 14.40 C ATOM 1163 CG1 ILE A 141 -9.667 0.616 20.336 1.00 23.79 C ATOM 1164 CG2 ILE A 141 -8.704 -1.328 21.629 1.00 18.78 C ATOM 1165 CD1 ILE A 141 -8.909 1.794 20.925 1.00 23.88 C ATOM 1166 H ILE A 141 -12.432 0.184 21.545 1.00 0.00 H ATOM 1167 N ALA A 142 -11.710 -2.860 22.708 1.00 13.58 N ATOM 1168 CA ALA A 142 -11.772 -4.140 23.408 1.00 9.66 C ATOM 1169 C ALA A 142 -12.690 -5.136 22.709 1.00 11.18 C ATOM 1170 O ALA A 142 -12.364 -6.323 22.607 1.00 15.90 O ATOM 1171 CB ALA A 142 -12.210 -3.921 24.858 1.00 12.51 C ATOM 1172 H ALA A 142 -12.118 -2.011 23.149 1.00 0.00 H ATOM 1173 N LYS A 143 -13.863 -4.693 22.260 1.00 12.42 N ATOM 1174 CA LYS A 143 -14.767 -5.613 21.572 1.00 11.88 C ATOM 1175 C LYS A 143 -14.212 -6.043 20.218 1.00 10.82 C ATOM 1176 O LYS A 143 -14.427 -7.184 19.800 1.00 12.78 O ATOM 1177 CB LYS A 143 -16.156 -4.992 21.419 1.00 9.69 C ATOM 1178 CG LYS A 143 -16.856 -4.747 22.771 1.00 10.69 C ATOM 1179 CD LYS A 143 -18.132 -3.952 22.626 1.00 12.24 C ATOM 1180 CE LYS A 143 -18.759 -3.665 23.989 1.00 22.96 C ATOM 1181 NZ LYS A 143 -20.042 -2.921 23.856 1.00 25.98 N ATOM 1182 HZ1 LYS A 143 -19.868 -2.015 23.377 1.00 0.00 H ATOM 1183 HZ2 LYS A 143 -20.713 -3.486 23.298 1.00 0.00 H ATOM 1184 HZ3 LYS A 143 -20.438 -2.744 24.801 1.00 0.00 H ATOM 1185 H LYS A 143 -14.134 -3.699 22.398 1.00 0.00 H ATOM 1186 N LYS A 144 -13.491 -5.149 19.525 1.00 13.35 N ATOM 1187 CA LYS A 144 -12.856 -5.529 18.264 1.00 11.44 C ATOM 1188 C LYS A 144 -11.760 -6.561 18.492 1.00 13.94 C ATOM 1189 O LYS A 144 -11.631 -7.518 17.720 1.00 15.26 O ATOM 1190 CB LYS A 144 -12.315 -4.287 17.553 1.00 14.44 C ATOM 1191 CG LYS A 144 -11.564 -4.544 16.233 1.00 15.82 C ATOM 1192 CD LYS A 144 -12.456 -5.199 15.188 1.00 20.42 C ATOM 1193 CE LYS A 144 -11.805 -5.230 13.810 1.00 25.40 C ATOM 1194 NZ LYS A 144 -12.587 -6.071 12.858 1.00 28.67 N ATOM 1195 HZ1 LYS A 144 -12.641 -7.044 13.221 1.00 0.00 H ATOM 1196 HZ2 LYS A 144 -13.547 -5.682 12.762 1.00 0.00 H ATOM 1197 HZ3 LYS A 144 -12.117 -6.071 11.930 1.00 0.00 H ATOM 1198 H LYS A 144 -13.383 -4.180 19.887 1.00 0.00 H ATOM 1199 N LYS A 145 -10.954 -6.383 19.546 1.00 15.56 N ATOM 1200 CA LYS A 145 -9.920 -7.363 19.865 1.00 18.60 C ATOM 1201 C LYS A 145 -10.535 -8.718 20.213 1.00 18.03 C ATOM 1202 O LYS A 145 -10.061 -9.760 19.747 1.00 19.25 O ATOM 1203 CB LYS A 145 -9.046 -6.828 21.005 1.00 19.09 C ATOM 1204 CG LYS A 145 -7.767 -7.605 21.279 1.00 22.72 C ATOM 1205 CD LYS A 145 -6.827 -7.633 20.076 1.00 20.29 C ATOM 1206 CE LYS A 145 -5.639 -8.542 20.367 1.00 30.14 C ATOM 1207 NZ LYS A 145 -4.735 -8.705 19.206 1.00 33.52 N ATOM 1208 HZ1 LYS A 145 -5.263 -9.120 18.412 1.00 0.00 H ATOM 1209 HZ2 LYS A 145 -4.361 -7.776 18.926 1.00 0.00 H ATOM 1210 HZ3 LYS A 145 -3.948 -9.333 19.466 1.00 0.00 H ATOM 1211 H LYS A 145 -11.065 -5.539 20.143 1.00 0.00 H ATOM 1212 N ARG A 146 -11.613 -8.718 21.009 1.00 17.98 N ATOM 1213 CA ARG A 146 -12.304 -9.966 21.325 1.00 18.83 C ATOM 1214 C ARG A 146 -12.824 -10.628 20.062 1.00 19.91 C ATOM 1215 O ARG A 146 -12.687 -11.843 19.885 1.00 19.00 O ATOM 1216 CB ARG A 146 -13.467 -9.691 22.279 1.00 19.50 C ATOM 1217 CG ARG A 146 -14.341 -10.912 22.592 1.00 18.78 C ATOM 1218 CD ARG A 146 -15.575 -10.477 23.387 1.00 30.57 C ATOM 1219 NE ARG A 146 -16.505 -11.571 23.649 1.00 38.16 N ATOM 1220 CZ ARG A 146 -17.517 -11.898 22.850 1.00 41.32 C ATOM 1221 NH1 ARG A 146 -17.723 -11.215 21.734 1.00 38.40 N ATOM 1222 NH2 ARG A 146 -18.322 -12.906 23.164 1.00 41.41 N ATOM 1223 HE ARG A 146 -16.368 -12.130 24.515 1.00 0.00 H ATOM 1224 HH12 ARG A 146 -18.513 -11.469 21.108 1.00 0.00 H ATOM 1225 HH11 ARG A 146 -17.094 -10.425 21.484 1.00 0.00 H ATOM 1226 HH22 ARG A 146 -19.111 -13.156 22.535 1.00 0.00 H ATOM 1227 HH21 ARG A 146 -18.163 -13.445 24.039 1.00 0.00 H ATOM 1228 H ARG A 146 -11.961 -7.822 21.405 1.00 0.00 H ATOM 1229 N TRP A 147 -13.435 -9.849 19.173 1.00 15.27 N ATOM 1230 CA TRP A 147 -13.913 -10.430 17.927 1.00 13.01 C ATOM 1231 C TRP A 147 -12.756 -11.000 17.114 1.00 18.54 C ATOM 1232 O TRP A 147 -12.852 -12.111 16.579 1.00 19.37 O ATOM 1233 CB TRP A 147 -14.695 -9.397 17.112 1.00 16.83 C ATOM 1234 CG TRP A 147 -14.841 -9.787 15.671 1.00 13.51 C ATOM 1235 CD1 TRP A 147 -14.307 -9.147 14.593 1.00 16.58 C ATOM 1236 CD2 TRP A 147 -15.529 -10.934 15.157 1.00 17.26 C ATOM 1237 NE1 TRP A 147 -14.635 -9.812 13.436 1.00 16.72 N ATOM 1238 CE2 TRP A 147 -15.388 -10.912 13.757 1.00 18.00 C ATOM 1239 CE3 TRP A 147 -16.260 -11.970 15.745 1.00 18.85 C ATOM 1240 CZ2 TRP A 147 -15.951 -11.887 12.933 1.00 24.44 C ATOM 1241 CZ3 TRP A 147 -16.821 -12.933 14.926 1.00 23.77 C ATOM 1242 CH2 TRP A 147 -16.654 -12.891 13.537 1.00 25.19 C ATOM 1243 HE1 TRP A 147 -14.358 -9.528 12.475 1.00 0.00 H ATOM 1244 H TRP A 147 -13.570 -8.836 19.366 1.00 0.00 H ATOM 1245 N ASN A 148 -11.647 -10.262 17.018 1.00 18.78 N ATOM 1246 CA ASN A 148 -10.505 -10.770 16.262 1.00 19.76 C ATOM 1247 C ASN A 148 -10.027 -12.112 16.807 1.00 17.65 C ATOM 1248 O ASN A 148 -9.671 -13.011 16.035 1.00 20.40 O ATOM 1249 CB ASN A 148 -9.376 -9.738 16.202 1.00 25.64 C ATOM 1250 CG ASN A 148 -9.686 -8.581 15.253 1.00 33.59 C ATOM 1251 OD1 ASN A 148 -9.166 -7.474 15.411 1.00 40.58 O ATOM 1252 ND2 ASN A 148 -10.537 -8.835 14.267 1.00 37.78 N ATOM 1253 HD22 ASN A 148 -10.953 -9.783 14.170 1.00 0.00 H ATOM 1254 HD21 ASN A 148 -10.788 -8.086 13.591 1.00 0.00 H ATOM 1255 H ASN A 148 -11.597 -9.331 17.479 1.00 0.00 H ATOM 1256 N SER A 149 -10.060 -12.292 18.134 1.00 20.79 N ATOM 1257 CA SER A 149 -9.651 -13.572 18.707 1.00 26.81 C ATOM 1258 C SER A 149 -10.644 -14.685 18.380 1.00 29.04 C ATOM 1259 O SER A 149 -10.239 -15.840 18.198 1.00 31.67 O ATOM 1260 CB SER A 149 -9.452 -13.448 20.220 1.00 29.00 C ATOM 1261 OG SER A 149 -10.697 -13.355 20.904 1.00 32.04 O ATOM 1262 HG SER A 149 -11.188 -12.557 20.586 1.00 0.00 H ATOM 1263 H SER A 149 -10.377 -11.521 18.756 1.00 0.00 H ATOM 1264 N ILE A 150 -11.934 -14.356 18.296 1.00 21.25 N ATOM 1265 CA ILE A 150 -12.954 -15.341 17.944 1.00 19.60 C ATOM 1266 C ILE A 150 -12.864 -15.690 16.467 1.00 21.17 C ATOM 1267 O ILE A 150 -12.932 -16.866 16.085 1.00 21.97 O ATOM 1268 CB ILE A 150 -14.360 -14.825 18.324 1.00 24.60 C ATOM 1269 CG1 ILE A 150 -14.719 -15.176 19.776 1.00 34.74 C ATOM 1270 CG2 ILE A 150 -15.418 -15.418 17.411 1.00 22.86 C ATOM 1271 CD1 ILE A 150 -13.876 -14.519 20.821 1.00 35.82 C ATOM 1272 H ILE A 150 -12.221 -13.374 18.486 1.00 0.00 H ATOM 1273 N GLU A 151 -12.714 -14.674 15.612 1.00 19.09 N ATOM 1274 CA GLU A 151 -12.670 -14.907 14.175 1.00 18.13 C ATOM 1275 C GLU A 151 -11.468 -15.752 13.788 1.00 19.27 C ATOM 1276 O GLU A 151 -11.556 -16.562 12.861 1.00 23.09 O ATOM 1277 CB GLU A 151 -12.629 -13.568 13.435 1.00 19.31 C ATOM 1278 CG GLU A 151 -12.928 -13.678 11.942 1.00 23.58 C ATOM 1279 CD GLU A 151 -11.715 -14.073 11.111 1.00 28.75 C ATOM 1280 OE1 GLU A 151 -10.576 -13.842 11.572 1.00 29.40 O ATOM 1281 OE2 GLU A 151 -11.900 -14.620 9.999 1.00 30.74 O ATOM 1282 H GLU A 151 -12.628 -13.704 15.978 1.00 0.00 H ATOM 1283 N GLU A 152 -10.347 -15.595 14.496 1.00 18.36 N ATOM 1284 CA GLU A 152 -9.136 -16.340 14.158 1.00 22.40 C ATOM 1285 C GLU A 152 -9.270 -17.838 14.429 1.00 23.06 C ATOM 1286 O GLU A 152 -8.479 -18.622 13.898 1.00 20.05 O ATOM 1287 CB GLU A 152 -7.926 -15.742 14.878 1.00 21.75 C ATOM 1288 H GLU A 152 -10.335 -14.934 15.299 1.00 0.00 H ATOM 1289 N ARG A 153 -10.253 -18.260 15.231 1.00 22.92 N ATOM 1290 CA ARG A 153 -10.492 -19.690 15.414 1.00 22.96 C ATOM 1291 C ARG A 153 -11.161 -20.320 14.204 1.00 23.61 C ATOM 1292 O ARG A 153 -11.083 -21.542 14.041 1.00 20.31 O ATOM 1293 CB ARG A 153 -11.425 -19.947 16.593 1.00 28.25 C ATOM 1294 CG ARG A 153 -10.911 -19.621 17.965 1.00 35.69 C ATOM 1295 CD ARG A 153 -12.079 -19.751 18.923 1.00 42.37 C ATOM 1296 NE ARG A 153 -11.743 -19.402 20.295 1.00 48.88 N ATOM 1297 CZ ARG A 153 -12.642 -19.036 21.202 1.00 56.88 C ATOM 1298 NH1 ARG A 153 -13.924 -18.963 20.869 1.00 56.19 N ATOM 1299 NH2 ARG A 153 -12.259 -18.733 22.435 1.00 63.40 N ATOM 1300 HE ARG A 153 -10.744 -19.441 20.581 1.00 0.00 H ATOM 1301 HH12 ARG A 153 -14.630 -18.677 21.577 1.00 0.00 H ATOM 1302 HH11 ARG A 153 -14.223 -19.192 19.900 1.00 0.00 H ATOM 1303 HH22 ARG A 153 -12.965 -18.447 23.143 1.00 0.00 H ATOM 1304 HH21 ARG A 153 -11.253 -18.782 22.694 1.00 0.00 H ATOM 1305 H ARG A 153 -10.850 -17.568 15.727 1.00 0.00 H ATOM 1306 N ARG A 154 -11.827 -19.521 13.374 1.00 19.78 N ATOM 1307 CA ARG A 154 -12.560 -20.022 12.215 1.00 20.26 C ATOM 1308 C ARG A 154 -11.650 -20.597 11.133 1.00 21.39 C ATOM 1309 O ARG A 154 -12.150 -21.143 10.152 1.00 28.68 O ATOM 1310 CB ARG A 154 -13.410 -18.910 11.596 1.00 22.64 C ATOM 1311 CG ARG A 154 -14.551 -18.396 12.445 1.00 31.26 C ATOM 1312 CD ARG A 154 -15.157 -17.183 11.750 1.00 39.92 C ATOM 1313 NE ARG A 154 -16.467 -16.813 12.275 1.00 45.44 N ATOM 1314 CZ ARG A 154 -17.287 -15.955 11.676 1.00 47.17 C ATOM 1315 NH1 ARG A 154 -16.929 -15.384 10.533 1.00 49.58 N ATOM 1316 NH2 ARG A 154 -18.464 -15.671 12.213 1.00 48.77 N ATOM 1317 HE ARG A 154 -16.777 -17.245 13.169 1.00 0.00 H ATOM 1318 HH12 ARG A 154 -17.570 -14.713 10.064 1.00 0.00 H ATOM 1319 HH11 ARG A 154 -16.007 -15.608 10.106 1.00 0.00 H ATOM 1320 HH22 ARG A 154 -19.102 -14.999 11.741 1.00 0.00 H ATOM 1321 HH21 ARG A 154 -18.750 -16.120 13.107 1.00 0.00 H ATOM 1322 H ARG A 154 -11.825 -18.498 13.559 1.00 0.00 H TER 1323 ARG A 154 HETATM 1324 NA NA A 1 -17.236 16.562 34.301 1.00 30.00 NA HETATM 1325 O HOH 2 -6.777 -19.525 15.087 1.00 47.45 O HETATM 1326 O HOH 3 -3.626 13.726 48.439 1.00 13.31 O HETATM 1327 O HOH 4 -6.216 -13.850 29.908 1.00 40.74 O HETATM 1328 O HOH 5 7.003 -4.774 38.157 1.00 30.00 O HETATM 1329 O HOH 6 -17.029 -10.978 19.429 1.00 41.87 O HETATM 1330 O HOH 7 -1.429 -9.328 25.276 1.00 53.39 O HETATM 1331 O HOH 8 0.508 -1.628 28.825 1.00 30.00 O HETATM 1332 O HOH 9 -11.404 -10.429 12.574 1.00 40.03 O HETATM 1333 O HOH 10 -20.206 -14.353 13.398 1.00 31.76 O HETATM 1334 O HOH 11 1.118 -5.671 26.844 1.00 41.65 O HETATM 1335 O HOH 12 -19.836 2.317 46.506 1.00 27.28 O HETATM 1336 O HOH 13 10.097 10.534 45.830 1.00 38.61 O HETATM 1337 O HOH 14 -16.014 7.546 20.953 1.00 30.00 O HETATM 1338 O HOH 15 2.802 3.844 56.797 1.00 22.29 O HETATM 1339 O HOH 16 -25.021 2.773 31.686 1.00 44.61 O HETATM 1340 O HOH 17 4.033 7.783 27.274 1.00 31.06 O HETATM 1341 O HOH 18 -2.416 -9.460 40.737 1.00 28.32 O HETATM 1342 O HOH 19 -12.580 -12.548 30.838 1.00 29.73 O HETATM 1343 O HOH 20 -6.088 8.114 39.152 1.00 22.48 O HETATM 1344 O HOH 21 1.054 19.217 52.233 1.00 30.00 O HETATM 1345 O HOH 22 -12.833 -9.214 36.604 1.00 30.00 O HETATM 1346 O HOH 23 -10.386 -6.739 47.112 1.00 34.90 O HETATM 1347 O HOH 24 -14.413 -5.384 38.807 1.00 24.48 O HETATM 1348 O HOH 25 -17.575 17.143 31.559 1.00 27.91 O HETATM 1349 O HOH 26 -25.354 5.040 34.437 1.00 33.22 O HETATM 1350 O HOH 27 -8.406 -15.007 10.449 1.00 27.27 O HETATM 1351 O HOH 28 -6.570 9.057 27.749 1.00 17.85 O HETATM 1352 O HOH 29 2.812 10.758 30.537 1.00 17.85 O HETATM 1353 O HOH 30 -18.444 -8.771 29.241 1.00 27.74 O HETATM 1354 O HOH 31 -14.646 8.136 39.990 1.00 12.96 O HETATM 1355 O HOH 32 -21.773 -5.608 31.652 1.00 43.73 O HETATM 1356 O HOH 33 -9.413 -0.684 25.108 1.00 23.79 O HETATM 1357 O HOH 34 8.435 1.878 40.360 1.00 12.12 O HETATM 1358 O HOH 35 -1.023 -0.326 25.582 1.00 48.09 O HETATM 1359 O HOH 36 -3.355 5.308 49.757 1.00 13.57 O HETATM 1360 O HOH 37 -9.398 -11.976 13.207 1.00 31.08 O HETATM 1361 O HOH 38 -10.754 7.573 44.070 1.00 18.82 O HETATM 1362 O HOH 39 -15.198 8.116 42.866 1.00 29.31 O HETATM 1363 O HOH 40 10.717 8.341 42.614 1.00 20.32 O HETATM 1364 O HOH 41 -9.987 -20.525 8.519 1.00 30.83 O HETATM 1365 O HOH 42 -16.366 11.690 40.725 1.00 28.16 O HETATM 1366 O HOH 43 6.640 2.841 29.555 1.00 29.39 O HETATM 1367 O HOH 44 2.716 -8.711 32.172 1.00 33.89 O HETATM 1368 O HOH 45 4.727 2.041 50.006 1.00 12.53 O HETATM 1369 O HOH 46 -2.089 -1.049 50.883 1.00 30.61 O HETATM 1370 O HOH 47 -15.655 -19.330 18.709 1.00 24.71 O HETATM 1371 O HOH 48 -19.310 -0.066 42.035 1.00 12.72 O HETATM 1372 O HOH 49 8.703 -3.170 33.906 1.00 17.46 O HETATM 1373 O HOH 50 9.544 5.862 32.110 1.00 15.72 O HETATM 1374 O HOH 51 8.489 3.973 47.005 1.00 11.42 O HETATM 1375 O HOH 52 -5.064 -7.670 23.968 1.00 26.68 O HETATM 1376 O HOH 53 5.533 14.174 26.991 1.00 28.58 O HETATM 1377 O HOH 54 -9.487 6.368 41.973 1.00 18.98 O HETATM 1378 O HOH 55 9.750 7.978 52.833 1.00 30.00 O HETATM 1379 O HOH 56 -10.986 -5.128 45.332 1.00 11.92 O HETATM 1380 O HOH 57 -16.829 -8.543 20.430 1.00 26.79 O HETATM 1381 O HOH 58 6.777 15.745 29.210 1.00 35.31 O HETATM 1382 O HOH 59 -9.903 -17.586 10.746 1.00 23.71 O HETATM 1383 O HOH 60 11.722 11.306 29.579 1.00 21.61 O HETATM 1384 O HOH 61 1.000 -3.689 43.059 1.00 20.00 O HETATM 1385 O HOH 62 -29.210 5.296 36.894 1.00 34.55 O HETATM 1386 O HOH 63 -23.257 -0.273 35.705 1.00 18.15 O HETATM 1387 O HOH 64 7.097 14.226 56.654 1.00 30.00 O HETATM 1388 O HOH 65 -12.155 3.136 19.189 1.00 32.33 O HETATM 1389 O HOH 66 -23.440 2.454 41.292 1.00 29.86 O HETATM 1390 O HOH 67 1.215 3.036 54.948 1.00 28.78 O HETATM 1391 O HOH 68 0.110 -8.580 28.172 1.00 30.00 O HETATM 1392 O HOH 69 5.751 2.084 44.511 1.00 12.29 O HETATM 1393 O HOH 70 -14.714 14.896 33.244 1.00 32.86 O HETATM 1394 O HOH 71 -21.143 12.232 31.601 1.00 28.47 O HETATM 1395 O HOH 72 -12.989 -7.185 10.166 1.00 17.77 O HETATM 1396 O HOH 73 -12.442 -5.533 43.107 1.00 14.22 O HETATM 1397 O HOH 74 -13.606 -9.761 10.676 1.00 26.12 O HETATM 1398 O HOH 75 -15.779 -1.019 47.782 1.00 27.50 O HETATM 1399 O HOH 76 -2.903 -8.856 16.877 1.00 20.85 O HETATM 1400 O HOH 77 -22.308 14.002 29.131 1.00 41.04 O HETATM 1401 O HOH 78 -7.139 -17.827 11.369 1.00 51.56 O HETATM 1402 O HOH 79 -6.903 -1.245 49.746 1.00 25.05 O HETATM 1403 O HOH 80 -1.146 15.190 52.668 1.00 23.34 O HETATM 1404 O HOH 81 -29.342 7.227 38.113 1.00 31.32 O HETATM 1405 O HOH 82 -12.056 8.101 38.754 1.00 18.15 O HETATM 1406 O HOH 83 -4.646 -6.149 45.947 1.00 27.22 O HETATM 1407 O HOH 84 -9.133 8.790 46.293 1.00 16.86 O HETATM 1408 O HOH 85 -6.856 -5.785 47.524 1.00 41.04 O HETATM 1409 O HOH 86 -24.178 -0.792 31.788 1.00 41.81 O HETATM 1410 O HOH 87 -15.706 -3.850 40.729 1.00 12.90 O HETATM 1411 O HOH 88 -0.928 17.369 40.503 1.00 35.92 O HETATM 1412 O HOH 89 -12.989 1.424 52.497 1.00 26.57 O HETATM 1413 O HOH 90 -21.322 6.747 41.108 1.00 14.26 O HETATM 1414 O HOH 91 -18.537 1.696 22.330 1.00 36.78 O HETATM 1415 O HOH 92 -0.260 -2.965 49.506 1.00 33.07 O HETATM 1416 O HOH 93 -16.430 -1.818 43.386 1.00 30.00 O HETATM 1417 O HOH 94 2.947 -8.811 34.976 1.00 25.58 O HETATM 1418 O HOH 95 -8.398 -1.461 51.747 1.00 33.89 O HETATM 1419 O HOH 96 0.750 13.448 55.155 1.00 22.40 O HETATM 1420 O HOH 97 -15.131 15.712 27.330 1.00 30.34 O HETATM 1421 O HOH 98 -22.372 -1.276 33.926 1.00 31.39 O HETATM 1422 O HOH 99 -4.373 7.178 57.421 1.00 37.00 O HETATM 1423 O HOH 100 -15.414 9.324 27.949 1.00 30.00 O HETATM 1424 O HOH 101 -19.096 -0.569 21.784 1.00 32.24 O HETATM 1425 O HOH 102 -8.194 2.219 24.531 1.00 25.27 O HETATM 1426 O HOH 103 -12.538 -13.881 27.685 1.00 30.00 O HETATM 1427 O HOH 104 -5.720 12.914 46.246 1.00 26.37 O HETATM 1428 O HOH 105 1.535 -6.064 43.965 1.00 29.11 O HETATM 1429 O HOH 106 -17.493 11.664 27.204 1.00 24.31 O HETATM 1430 O HOH 107 10.147 8.214 45.198 1.00 31.78 O HETATM 1431 O HOH 108 -12.058 0.211 17.571 1.00 28.24 O HETATM 1432 O HOH 109 -18.230 10.436 24.276 1.00 31.98 O HETATM 1433 O HOH 110 -21.204 -0.192 28.041 1.00 30.00 O HETATM 1434 O HOH 111 -7.427 6.679 24.620 1.00 41.50 O HETATM 1435 O HOH 112 -18.277 -14.159 30.721 1.00 30.00 O HETATM 1436 O HOH 113 2.384 6.297 27.226 1.00 49.81 O HETATM 1437 O HOH 114 1.179 17.398 37.029 1.00 30.00 O HETATM 1438 O HOH 115 3.040 19.899 54.511 1.00 38.87 O HETATM 1439 O HOH 116 6.213 12.278 57.402 1.00 30.00 O HETATM 1440 O HOH 117 -7.963 -20.023 20.086 1.00 43.50 O HETATM 1441 O HOH 118 -8.281 -8.161 46.287 1.00 52.73 O HETATM 1442 O HOH 119 -10.477 -18.298 7.728 1.00 42.73 O HETATM 1443 O HOH 120 -26.338 0.116 34.981 1.00 40.35 O HETATM 1444 O HOH 121 -21.993 10.514 27.293 1.00 37.51 O HETATM 1445 O HOH 122 -13.267 -11.347 7.693 1.00 50.88 O HETATM 1446 O HOH 123 -8.742 4.682 22.771 1.00 32.30 O HETATM 1447 O HOH 124 -6.468 -0.720 52.693 1.00 38.45 O HETATM 1448 O HOH 125 -15.204 17.004 33.638 1.00 30.00 O HETATM 1449 O HOH 126 -19.747 9.518 26.204 1.00 42.62 O HETATM 1450 O HOH 127 -7.885 -16.959 9.452 1.00 21.17 O HETATM 1451 O HOH 128 -19.067 -1.595 19.448 1.00 31.29 O HETATM 1452 O HOH 129 -18.180 8.447 28.204 1.00 21.69 O HETATM 1453 O HOH 130 -10.127 -0.235 54.084 1.00 36.85 O HETATM 1454 O HOH 131 -1.063 18.144 37.568 1.00 41.88 O HETATM 1455 O HOH 132 -21.891 1.118 26.023 1.00 30.00 O HETATM 1456 O HOH 133 0.044 12.787 30.854 1.00 40.63 O HETATM 1457 O HOH 134 -1.500 12.995 33.553 1.00 22.20 O HETATM 1458 O HOH 135 -4.722 11.677 27.761 1.00 32.56 O HETATM 1459 O HOH 136 -8.488 12.462 33.635 1.00 22.38 O HETATM 1460 O HOH 137 -1.245 8.431 29.184 1.00 31.34 O HETATM 1461 O HOH 138 -9.663 8.583 40.149 1.00 26.82 O HETATM 1462 O HOH 139 -5.681 6.539 26.043 1.00 53.37 O HETATM 1463 O HOH 140 -10.484 12.823 37.093 1.00 35.71 O HETATM 1464 O HOH 141 -3.991 3.092 25.270 1.00 36.50 O HETATM 1465 O HOH 142 0.197 10.112 29.325 1.00 39.25 O HETATM 1466 O HOH 143 -11.589 10.972 37.790 1.00 31.06 O HETATM 1467 C ACE A 144 -8.295 11.387 30.003 1.00 0.18 C HETATM 1468 O ACE A 144 -7.970 11.928 31.062 1.00 -0.40 O HETATM 1469 CH3 ACE A 144 -8.223 12.104 28.694 1.00 0.03 C HETATM 1470 H1 ACE A 144 -8.559 11.433 27.890 1.00 0.05 H HETATM 1471 H2 ACE A 144 -7.185 12.415 28.503 1.00 0.05 H HETATM 1472 H3 ACE A 144 -8.872 12.992 28.726 1.00 0.05 H HETATM 1473 N ACE A 144 -8.724 10.130 29.914 1.00 -0.27 N HETATM 1474 CA ACE A 144 -8.885 9.277 31.088 1.00 0.13 C HETATM 1475 C ACE A 144 -7.558 8.664 31.546 1.00 0.20 C HETATM 1476 O ACE A 144 -7.392 8.347 32.721 1.00 -0.39 O HETATM 1477 N ACE A 144 -6.605 8.509 30.627 1.00 -0.26 N HETATM 1478 CA ACE A 144 -5.325 7.883 30.969 1.00 0.13 C HETATM 1479 C ACE A 144 -4.346 8.937 31.489 1.00 0.20 C HETATM 1480 O ACE A 144 -3.249 9.159 30.966 1.00 -0.39 O HETATM 1481 N ACE A 144 -4.793 9.586 32.570 1.00 -0.26 N HETATM 1482 CA ACE A 144 -4.042 10.652 33.207 1.00 0.13 C HETATM 1483 C ACE A 144 -4.145 10.486 34.714 1.00 0.20 C HETATM 1484 O ACE A 144 -5.094 9.887 35.228 1.00 -0.39 O HETATM 1485 N ACE A 144 -3.142 10.994 35.419 1.00 -0.26 N HETATM 1486 CA ACE A 144 -3.126 10.872 36.876 1.00 0.13 C HETATM 1487 C ACE A 144 -3.938 11.981 37.529 1.00 0.20 C HETATM 1488 O ACE A 144 -4.087 13.081 36.986 1.00 -0.39 O HETATM 1489 N ACE A 144 -4.452 11.687 38.723 1.00 -0.27 N HETATM 1490 CA ACE A 144 -5.257 12.633 39.499 1.00 0.11 C HETATM 1491 C ACE A 144 -4.466 13.165 40.682 1.00 0.06 C HETATM 1492 O ACE A 144 -4.897 14.081 41.392 1.00 -0.57 O HETATM 1493 OXT ACE A 144 -3.386 12.659 40.979 1.00 -0.57 O HETATM 1494 CB ACE A 144 -6.513 11.946 40.036 1.00 0.04 C HETATM 1495 CG ACE A 144 -7.473 11.536 38.942 1.00 0.04 C HETATM 1496 OD1 ACE A 144 -7.834 12.396 38.110 1.00 -0.57 O HETATM 1497 OD2 ACE A 144 -7.875 10.354 38.936 1.00 -0.57 O HETATM 1498 H38 ACE A 144 -7.030 12.640 40.715 1.00 0.05 H HETATM 1499 H39 ACE A 144 -6.210 11.047 40.593 1.00 0.05 H HETATM 1500 H37 ACE A 144 -5.548 13.471 38.849 1.00 0.07 H HETATM 1501 H36 ACE A 144 -4.280 10.780 39.106 1.00 0.19 H HETATM 1502 CB ACE A 144 -1.685 10.843 37.407 1.00 -0.01 C HETATM 1503 CG1 ACE A 144 -1.031 9.547 37.003 1.00 -0.06 C HETATM 1504 H30 ACE A 144 0.001 9.524 37.382 1.00 0.02 H HETATM 1505 H31 ACE A 144 -1.021 9.468 35.906 1.00 0.02 H HETATM 1506 H32 ACE A 144 -1.596 8.704 37.426 1.00 0.02 H HETATM 1507 CG2 ACE A 144 -0.901 12.057 36.881 1.00 -0.06 C HETATM 1508 H33 ACE A 144 -1.406 12.983 37.194 1.00 0.02 H HETATM 1509 H34 ACE A 144 -0.857 12.017 35.783 1.00 0.02 H HETATM 1510 H35 ACE A 144 0.120 12.040 37.290 1.00 0.02 H HETATM 1511 H29 ACE A 144 -1.710 10.895 38.505 1.00 0.03 H HETATM 1512 H28 ACE A 144 -3.599 9.914 37.138 1.00 0.08 H HETATM 1513 H27 ACE A 144 -2.393 11.463 34.951 1.00 0.19 H HETATM 1514 CB ACE A 144 -4.564 12.038 32.789 1.00 -0.00 C HETATM 1515 CG ACE A 144 -4.568 12.295 31.275 1.00 0.00 C HETATM 1516 CD ACE A 144 -3.176 12.362 30.648 1.00 0.04 C HETATM 1517 OE1 ACE A 144 -2.164 12.379 31.385 1.00 -0.57 O HETATM 1518 OE2 ACE A 144 -3.095 12.403 29.398 1.00 -0.57 O HETATM 1519 H25 ACE A 144 -5.077 13.252 31.089 1.00 0.04 H HETATM 1520 H26 ACE A 144 -5.127 11.482 30.788 1.00 0.04 H HETATM 1521 H23 ACE A 144 -3.929 12.800 33.264 1.00 0.03 H HETATM 1522 H24 ACE A 144 -5.596 12.140 33.156 1.00 0.03 H HETATM 1523 H22 ACE A 144 -2.987 10.571 32.907 1.00 0.08 H HETATM 1524 H21 ACE A 144 -5.679 9.326 32.954 1.00 0.19 H HETATM 1525 CB ACE A 144 -4.782 7.058 29.805 1.00 -0.00 C HETATM 1526 CG ACE A 144 -5.637 5.805 29.577 1.00 0.00 C HETATM 1527 CD ACE A 144 -5.103 4.878 28.498 1.00 0.04 C HETATM 1528 OE1 ACE A 144 -4.044 5.178 27.906 1.00 -0.57 O HETATM 1529 OE2 ACE A 144 -5.754 3.841 28.242 1.00 -0.57 O HETATM 1530 H19 ACE A 144 -6.649 6.125 29.288 1.00 0.04 H HETATM 1531 H20 ACE A 144 -5.686 5.244 30.522 1.00 0.04 H HETATM 1532 H17 ACE A 144 -3.749 6.753 30.030 1.00 0.03 H HETATM 1533 H18 ACE A 144 -4.792 7.672 28.892 1.00 0.03 H HETATM 1534 H16 ACE A 144 -5.511 7.181 31.796 1.00 0.08 H HETATM 1535 H15 ACE A 144 -6.766 8.824 29.692 1.00 0.19 H HETATM 1536 CB ACE A 144 -9.988 8.222 30.877 1.00 -0.00 C HETATM 1537 CG1 ACE A 144 -10.452 7.655 32.225 1.00 -0.05 C HETATM 1538 CD1 ACE A 144 -11.672 6.794 32.128 1.00 -0.06 C HETATM 1539 H12 ACE A 144 -11.942 6.427 33.129 1.00 0.02 H HETATM 1540 H13 ACE A 144 -11.466 5.939 31.467 1.00 0.02 H HETATM 1541 H14 ACE A 144 -12.505 7.383 31.717 1.00 0.02 H HETATM 1542 H7 ACE A 144 -10.674 8.496 32.898 1.00 0.03 H HETATM 1543 H8 ACE A 144 -9.635 7.053 32.648 1.00 0.03 H HETATM 1544 CG2 ACE A 144 -9.496 7.114 29.942 1.00 -0.06 C HETATM 1545 H9 ACE A 144 -9.172 7.556 28.988 1.00 0.02 H HETATM 1546 H10 ACE A 144 -10.313 6.401 29.757 1.00 0.02 H HETATM 1547 H11 ACE A 144 -8.649 6.589 30.409 1.00 0.02 H HETATM 1548 H6 ACE A 144 -10.848 8.714 30.400 1.00 0.03 H HETATM 1549 H5 ACE A 144 -9.226 9.928 31.907 1.00 0.08 H HETATM 1550 H4 ACE A 144 -8.944 9.757 29.012 1.00 0.19 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1036 1035 1324 CONECT 1324 1036 CONECT 1467 1468 1469 1473 CONECT 1468 1467 CONECT 1469 1467 1470 1471 1472 CONECT 1470 1469 CONECT 1471 1469 CONECT 1472 1469 CONECT 1473 1467 1474 1550 CONECT 1474 1473 1475 1536 1549 CONECT 1475 1474 1476 1477 CONECT 1476 1475 CONECT 1477 1475 1478 1535 CONECT 1478 1477 1479 1525 1534 CONECT 1479 1478 1480 1481 CONECT 1480 1479 CONECT 1481 1479 1482 1524 CONECT 1482 1481 1483 1514 1523 CONECT 1483 1482 1484 1485 CONECT 1484 1483 CONECT 1485 1483 1486 1513 CONECT 1486 1485 1487 1502 1512 CONECT 1487 1486 1488 1489 CONECT 1488 1487 CONECT 1489 1487 1490 1501 CONECT 1490 1489 1491 1494 1500 CONECT 1491 1490 1492 1493 CONECT 1492 1491 CONECT 1493 1491 CONECT 1494 1490 1495 1498 1499 CONECT 1495 1494 1496 1497 CONECT 1496 1495 CONECT 1497 1495 CONECT 1498 1494 CONECT 1499 1494 CONECT 1500 1490 CONECT 1501 1489 CONECT 1502 1486 1503 1507 1511 CONECT 1503 1502 1504 1505 1506 CONECT 1504 1503 CONECT 1505 1503 CONECT 1506 1503 CONECT 1507 1502 1508 1509 1510 CONECT 1508 1507 CONECT 1509 1507 CONECT 1510 1507 CONECT 1511 1502 CONECT 1512 1486 CONECT 1513 1485 CONECT 1514 1482 1515 1521 1522 CONECT 1515 1514 1516 1519 1520 CONECT 1516 1515 1517 1518 CONECT 1517 1516 CONECT 1518 1516 CONECT 1519 1515 CONECT 1520 1515 CONECT 1521 1514 CONECT 1522 1514 CONECT 1523 1482 CONECT 1524 1481 CONECT 1525 1478 1526 1532 1533 CONECT 1526 1525 1527 1530 1531 CONECT 1527 1526 1528 1529 CONECT 1528 1527 CONECT 1529 1527 CONECT 1530 1526 CONECT 1531 1526 CONECT 1532 1525 CONECT 1533 1525 CONECT 1534 1478 CONECT 1535 1477 CONECT 1536 1474 1537 1544 1548 CONECT 1537 1536 1538 1542 1543 CONECT 1538 1537 1539 1540 1541 CONECT 1539 1538 CONECT 1540 1538 CONECT 1541 1538 CONECT 1542 1537 CONECT 1543 1537 CONECT 1544 1536 1545 1546 1547 CONECT 1545 1544 CONECT 1546 1544 CONECT 1547 1544 CONECT 1548 1536 CONECT 1549 1474 CONECT 1550 1473 MASTER 0 0 0 0 0 0 0 0 1549 1 90 11 END
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Protein Sequence Similarity
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PDBbind
281aa, >2C2L_1|Chains... *
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130aa, >6NSV_1|Chains... at 99%
Complexes with the same small molecule ligand
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PDBbind
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2w76
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PDBbind
6-mer
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PDBbind
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PDBbind
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PDBbind
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6-mer
3q4l
RCSB PDB
PDBbind
6-mer
3r5j
RCSB PDB
PDBbind
6-mer
3r6g
RCSB PDB
PDBbind
6-mer
3rjm
RCSB PDB
PDBbind
6-mer
3sm1
RCSB PDB
PDBbind
6-mer
3sna
RCSB PDB
PDBbind
6-mer
3snb
RCSB PDB
PDBbind
6-mer
3snc
RCSB PDB
PDBbind
6-mer
3snd
RCSB PDB
PDBbind
6-mer
3u51
RCSB PDB
PDBbind
6-mer
3ux0
RCSB PDB
PDBbind
6-mer
3wqw
RCSB PDB
PDBbind
6-mer
3zmt
RCSB PDB
PDBbind
6-mer
3zmu
RCSB PDB
PDBbind
6-mer
3zmv
RCSB PDB
PDBbind
6-mer
3zmz
RCSB PDB
PDBbind
6-mer
3zn0
RCSB PDB
PDBbind
6-mer
3zn1
RCSB PDB
PDBbind
6-mer
4a0j
RCSB PDB
PDBbind
6-mer
4apo
RCSB PDB
PDBbind
6-mer
4b3b
RCSB PDB
PDBbind
6-mer
4b4q
RCSB PDB
PDBbind
6-mer
4b8y
RCSB PDB
PDBbind
6-mer
4c4n
RCSB PDB
PDBbind
6-mer
4dgb
RCSB PDB
PDBbind
6-mer
4er2
RCSB PDB
PDBbind
6-mer
4exh
RCSB PDB
PDBbind
6-mer
4fr3
RCSB PDB
PDBbind
6-mer
4fys
RCSB PDB
PDBbind
6-mer
4fz3
RCSB PDB
PDBbind
6-mer
4gye
RCSB PDB
PDBbind
6-mer
4gzf
RCSB PDB
PDBbind
6-mer
4ifi
RCSB PDB
PDBbind
6-mer
4ikn
RCSB PDB
PDBbind
6-mer
4j09
RCSB PDB
PDBbind
6-mer
4j77
RCSB PDB
PDBbind
6-mer
4j79
RCSB PDB
PDBbind
6-mer
4j86
RCSB PDB
PDBbind
6-mer
4j8b
RCSB PDB
PDBbind
6-mer
4jj7
RCSB PDB
PDBbind
6-mer
4jj8
RCSB PDB
PDBbind
6-mer
4jje
RCSB PDB
PDBbind
6-mer
4jr0
RCSB PDB
PDBbind
6-mer
4k3o
RCSB PDB
PDBbind
6-mer
4k3p
RCSB PDB
PDBbind
6-mer
4k3q
RCSB PDB
PDBbind
6-mer
4k3r
RCSB PDB
PDBbind
6-mer
4ny3
RCSB PDB
PDBbind
6-mer
4o9w
RCSB PDB
PDBbind
6-mer
4ou3
RCSB PDB
PDBbind
6-mer
4tsz
RCSB PDB
PDBbind
6-mer
4tt2
RCSB PDB
PDBbind
6-mer
4wk2
RCSB PDB
PDBbind
6-mer
4wvt
RCSB PDB
PDBbind
6-mer
4x9r
RCSB PDB
PDBbind
6-mer
4x9v
RCSB PDB
PDBbind
6-mer
4ynl
RCSB PDB
PDBbind
6-mer
5a2i
RCSB PDB
PDBbind
6-mer
5a2j
RCSB PDB
PDBbind
6-mer
5a2k
RCSB PDB
PDBbind
6-mer
5e1b
RCSB PDB
PDBbind
6-mer
5e1d
RCSB PDB
PDBbind
6-mer
5e1m
RCSB PDB
PDBbind
6-mer
5e1o
RCSB PDB
PDBbind
6-mer
5epk
RCSB PDB
PDBbind
6-mer
5epl
RCSB PDB
PDBbind
6-mer
5eq0
RCSB PDB
PDBbind
6-mer
5fot
RCSB PDB
PDBbind
6-mer
5fou
RCSB PDB
PDBbind
6-mer
5fov
RCSB PDB
PDBbind
6-mer
5fow
RCSB PDB
PDBbind
6-mer
5fox
RCSB PDB
PDBbind
6-mer
5fpk
RCSB PDB
PDBbind
6-mer
5gwz
RCSB PDB
PDBbind
6-mer
5hvp
RCSB PDB
PDBbind
6-mer
5izf
RCSB PDB
PDBbind
6-mer
5l7k
RCSB PDB
PDBbind
6-mer
5lrg
RCSB PDB
PDBbind
6-mer
5lrj
RCSB PDB
PDBbind
6-mer
5lrk
RCSB PDB
PDBbind
6-mer
5lso
RCSB PDB
PDBbind
6-mer
5tpc
RCSB PDB
PDBbind
6-mer
5w94
RCSB PDB
PDBbind
6-mer
5y24
RCSB PDB
PDBbind
6-mer
6apr
RCSB PDB
PDBbind
6-mer
6asz
RCSB PDB
PDBbind
6-mer
6at0
RCSB PDB
PDBbind
6-mer
6cdg
RCSB PDB
PDBbind
6-mer
6cgt
RCSB PDB
PDBbind
6-mer
6do4
RCSB PDB
PDBbind
6-mer
6do5
RCSB PDB
PDBbind
6-mer
6dub
RCSB PDB
PDBbind
6-mer
6eqx
RCSB PDB
PDBbind
6-mer
7hvp
RCSB PDB
PDBbind
6-mer
6rhe
RCSB PDB
PDBbind
6-mer
6nsx
RCSB PDB
PDBbind
6-mer
6nsv
RCSB PDB
PDBbind
6-mer
6jij
RCSB PDB
PDBbind
6-mer
6im4
RCSB PDB
PDBbind
6-mer
6hzd
RCSB PDB
PDBbind
6-mer
6hzc
RCSB PDB
PDBbind
6-mer
6hp5
RCSB PDB
PDBbind
6-mer
6hmy
RCSB PDB
PDBbind
6-mer
6hle
RCSB PDB
PDBbind
6-mer
6fvo
RCSB PDB
PDBbind
6-mer
6fvn
RCSB PDB
PDBbind
6-mer
6fvm
RCSB PDB
PDBbind
6-mer
6fvl
RCSB PDB
PDBbind
6-mer
6a30
RCSB PDB
PDBbind
6-mer
5zw6
RCSB PDB
PDBbind
6-mer
5zvw
RCSB PDB
PDBbind
6-mer
Entry Information
PDB ID
6efk
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase CHIP
Ligand Name
6-mer
EC.Number
E.C.2.3.2.27
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=0.16uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
() Vol. : pp. -
Ligand Properties
Formula
C
2
7
H
4
3
N
5
O
1
3
Molecular Weight
645.656
Exact Mass
645.286
No. of atoms
88
No. of bonds
87
Polar Surface Area
294.7
LOGP Value
4.13 (
Computed with XLOGP3
)
0.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 0
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)C(C)C)CCC(=O)O)CCC(=O)O)NC(=O)C)C
InChI String
InChI=1S/C27H43N5O13/c1-6-13(4)22(28-14(5)33)26(43)30-15(7-9-18(34)35)23(40)29-16(8-10-19(36)37)24(41)32-21(12(2)3)25(42)31-17(27(44)45)11-20(38)39/h12-13,15-17,21-22H,6-11H2,1-5H3,(H,28,33)(H,29,40)(H,30,43)(H,31,42)(H,32,41)(H,34,35)(H,36,37)(H,38,39)(H,44,45)/t13-,15-,16-,17-,21-,22-/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):
Q9UNE7
Entrez Gene ID
NCBI Entrez Gene ID:
10273
ASD
Information of known allosteric effects of PDB entries
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