Browse entries in the PDBbind-CN Database
HEADER 1BKM_COMPLEX COMPND 1BKM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 102 GLU GLU TRP TYR PHE GLY LYS ILE THR ARG ARG GLU SER SEQRES 2 A 102 GLU ALA LEU LEU LEU ASN PRO GLU ASN PRO ARG GLY THR SEQRES 3 A 102 PHE LEU VAL ARG GLU SER GLU THR THR LYS GLY ALA TYR SEQRES 4 A 102 CYS LEU SER VAL SER ASP PHE ASP ASN ALA LYS GLY LEU SEQRES 5 A 102 ASN VAL LYS HIS TYR LYS ILE ARG LYS LEU ASP SER GLY SEQRES 6 A 102 GLY PHE TYR ILE THR SER ARG THR GLN PHE SER SER LEU SEQRES 7 A 102 GLN GLN LEU VAL ALA TYR TYR SER LYS HIS ALA ASP GLY SEQRES 8 A 102 LEU CYS HIS ARG LEU THR ASN VAL CYS PRO THR HET UNN A 164 77 ATOM 1 N GLU A 3 2.771 -4.248 6.564 1.00 35.56 N ATOM 2 CA GLU A 3 1.309 -4.230 6.328 1.00 35.07 C ATOM 3 C GLU A 3 0.626 -3.693 7.584 1.00 35.42 C ATOM 4 O GLU A 3 1.162 -3.982 8.646 1.00 38.67 O ATOM 5 HA GLU A 3 1.080 -3.585 5.480 1.00 0.00 H ATOM 6 HN3 GLU A 3 2.982 -4.863 7.376 1.00 0.00 H ATOM 7 HN2 GLU A 3 3.101 -3.282 6.764 1.00 0.00 H ATOM 8 HN1 GLU A 3 3.253 -4.612 5.717 1.00 0.00 H ATOM 9 N GLU A 4 -0.447 -2.872 7.395 1.00 33.91 N ATOM 10 CA GLU A 4 -0.933 -1.799 8.303 1.00 28.18 C ATOM 11 C GLU A 4 -2.281 -1.928 9.104 1.00 24.06 C ATOM 12 O GLU A 4 -3.177 -2.729 8.849 1.00 25.93 O ATOM 13 CB GLU A 4 -0.944 -0.521 7.430 1.00 32.35 C ATOM 14 HA GLU A 4 -0.249 -1.827 9.151 1.00 0.00 H ATOM 15 HB2 GLU A 4 0.065 -0.320 7.069 1.00 0.00 H ATOM 16 HB3 GLU A 4 -1.612 -0.668 6.582 1.00 0.00 H ATOM 17 H GLU A 4 -0.986 -3.012 6.517 1.00 0.00 H ATOM 18 N TRP A 5 -2.453 -1.095 10.126 1.00 18.64 N ATOM 19 CA TRP A 5 -1.552 0.004 10.522 1.00 18.50 C ATOM 20 C TRP A 5 -0.282 -0.254 11.349 1.00 14.35 C ATOM 21 O TRP A 5 0.655 0.521 11.289 1.00 12.37 O ATOM 22 CB TRP A 5 -2.382 1.172 11.083 1.00 17.82 C ATOM 23 CG TRP A 5 -3.354 0.745 12.151 1.00 18.36 C ATOM 24 CD1 TRP A 5 -4.749 0.654 12.000 1.00 21.38 C ATOM 25 CD2 TRP A 5 -3.095 0.376 13.529 1.00 18.23 C ATOM 26 NE1 TRP A 5 -5.347 0.266 13.166 1.00 21.95 N ATOM 27 CE2 TRP A 5 -4.366 0.090 14.141 1.00 20.14 C ATOM 28 CE3 TRP A 5 -1.926 0.278 14.299 1.00 15.75 C ATOM 29 CZ2 TRP A 5 -4.419 -0.324 15.490 1.00 18.72 C ATOM 30 CZ3 TRP A 5 -1.990 -0.131 15.645 1.00 15.26 C ATOM 31 CH2 TRP A 5 -3.231 -0.430 16.242 1.00 18.86 C ATOM 32 HA TRP A 5 -1.067 0.234 9.573 1.00 0.00 H ATOM 33 HB2 TRP A 5 -1.701 1.910 11.508 1.00 0.00 H ATOM 34 HB3 TRP A 5 -2.942 1.625 10.265 1.00 0.00 H ATOM 35 HE1 TRP A 5 -6.368 0.125 13.304 1.00 0.00 H ATOM 36 HD1 TRP A 5 -5.284 0.865 11.074 1.00 0.00 H ATOM 37 HZ2 TRP A 5 -5.378 -0.562 15.950 1.00 0.00 H ATOM 38 HH2 TRP A 5 -3.273 -0.743 17.285 1.00 0.00 H ATOM 39 HZ3 TRP A 5 -1.074 -0.217 16.229 1.00 0.00 H ATOM 40 HE3 TRP A 5 -0.962 0.520 13.852 1.00 0.00 H ATOM 41 H TRP A 5 -3.307 -1.232 10.703 1.00 0.00 H ATOM 42 N TYR A 6 -0.259 -1.384 12.079 1.00 13.80 N ATOM 43 CA TYR A 6 0.976 -1.766 12.764 1.00 12.26 C ATOM 44 C TYR A 6 2.088 -2.434 11.902 1.00 14.25 C ATOM 45 O TYR A 6 1.987 -3.511 11.326 1.00 12.05 O ATOM 46 CB TYR A 6 0.629 -2.554 14.025 1.00 9.67 C ATOM 47 CG TYR A 6 1.802 -2.684 14.991 1.00 6.33 C ATOM 48 CD1 TYR A 6 2.271 -1.559 15.700 1.00 8.04 C ATOM 49 CD2 TYR A 6 2.438 -3.941 15.156 1.00 10.72 C ATOM 50 CE1 TYR A 6 3.358 -1.701 16.609 1.00 12.95 C ATOM 51 CE2 TYR A 6 3.506 -4.080 16.086 1.00 13.33 C ATOM 52 CZ TYR A 6 3.981 -2.966 16.840 1.00 12.45 C ATOM 53 HA TYR A 6 1.465 -0.830 13.032 1.00 0.00 H ATOM 54 HB3 TYR A 6 0.308 -3.554 13.732 1.00 0.00 H ATOM 55 HB2 TYR A 6 -0.188 -2.047 14.538 1.00 0.00 H ATOM 56 HD2 TYR A 6 2.109 -4.800 14.571 1.00 0.00 H ATOM 57 HE2 TYR A 6 3.970 -5.056 16.225 1.00 0.00 H ATOM 58 HE1 TYR A 6 3.724 -0.823 17.142 1.00 0.00 H ATOM 59 HD1 TYR A 6 1.804 -0.585 15.553 1.00 0.00 H ATOM 60 H TYR A 6 -1.109 -1.979 12.155 1.00 0.00 H ATOM 61 N PHE A 7 3.192 -1.680 11.839 1.00 12.50 N ATOM 62 CA PHE A 7 4.372 -2.132 11.094 1.00 13.91 C ATOM 63 C PHE A 7 5.510 -2.690 11.967 1.00 13.40 C ATOM 64 O PHE A 7 6.631 -2.918 11.531 1.00 14.73 O ATOM 65 CB PHE A 7 4.888 -0.957 10.217 1.00 12.08 C ATOM 66 CG PHE A 7 4.223 -0.873 8.854 1.00 13.06 C ATOM 67 CD1 PHE A 7 2.852 -0.529 8.710 1.00 10.59 C ATOM 68 CD2 PHE A 7 5.030 -1.103 7.709 1.00 14.72 C ATOM 69 CE1 PHE A 7 2.304 -0.331 7.420 1.00 10.01 C ATOM 70 CE2 PHE A 7 4.483 -0.923 6.418 1.00 12.79 C ATOM 71 CZ PHE A 7 3.139 -0.506 6.289 1.00 10.78 C ATOM 72 HA PHE A 7 4.051 -2.974 10.481 1.00 0.00 H ATOM 73 HB2 PHE A 7 4.703 -0.024 10.749 1.00 0.00 H ATOM 74 HB3 PHE A 7 5.961 -1.083 10.069 1.00 0.00 H ATOM 75 HD2 PHE A 7 6.067 -1.417 7.825 1.00 0.00 H ATOM 76 HE2 PHE A 7 5.091 -1.104 5.532 1.00 0.00 H ATOM 77 HZ PHE A 7 2.735 -0.314 5.295 1.00 0.00 H ATOM 78 HE1 PHE A 7 1.258 -0.049 7.299 1.00 0.00 H ATOM 79 HD1 PHE A 7 2.222 -0.418 9.593 1.00 0.00 H ATOM 80 H PHE A 7 3.214 -0.761 12.325 1.00 0.00 H ATOM 81 N GLY A 8 5.203 -2.867 13.259 1.00 13.89 N ATOM 82 CA GLY A 8 6.258 -3.379 14.159 1.00 14.26 C ATOM 83 C GLY A 8 7.666 -2.776 14.069 1.00 16.26 C ATOM 84 O GLY A 8 7.881 -1.580 14.176 1.00 14.90 O ATOM 85 HA3 GLY A 8 6.354 -4.447 13.965 1.00 0.00 H ATOM 86 HA2 GLY A 8 5.909 -3.227 15.180 1.00 0.00 H ATOM 87 H GLY A 8 4.251 -2.651 13.618 1.00 0.00 H ATOM 88 N LYS A 9 8.643 -3.660 13.847 1.00 17.19 N ATOM 89 CA LYS A 9 10.022 -3.213 14.031 1.00 17.60 C ATOM 90 C LYS A 9 10.702 -2.637 12.804 1.00 19.96 C ATOM 91 O LYS A 9 11.876 -2.872 12.559 1.00 23.01 O ATOM 92 CB LYS A 9 10.902 -4.341 14.566 1.00 19.35 C ATOM 93 CG LYS A 9 10.488 -4.839 15.944 1.00 17.38 C ATOM 94 CD LYS A 9 11.406 -5.959 16.406 1.00 16.43 C ATOM 95 CE LYS A 9 11.029 -6.379 17.822 1.00 15.98 C ATOM 96 NZ LYS A 9 11.197 -5.230 18.698 1.00 13.27 N ATOM 97 HA LYS A 9 9.923 -2.398 14.748 1.00 0.00 H ATOM 98 HB2 LYS A 9 10.852 -5.177 13.868 1.00 0.00 H ATOM 99 HB3 LYS A 9 11.928 -3.979 14.625 1.00 0.00 H ATOM 100 HG2 LYS A 9 10.543 -4.014 16.655 1.00 0.00 H ATOM 101 HG3 LYS A 9 9.464 -5.210 15.898 1.00 0.00 H ATOM 102 HD2 LYS A 9 11.304 -6.812 15.735 1.00 0.00 H ATOM 103 HD3 LYS A 9 12.439 -5.610 16.394 1.00 0.00 H ATOM 104 HE2 LYS A 9 11.677 -7.192 18.151 1.00 0.00 H ATOM 105 HE3 LYS A 9 9.991 -6.712 17.844 1.00 0.00 H ATOM 106 HZ1 LYS A 9 12.188 -4.916 18.670 1.00 0.00 H ATOM 107 HZ2 LYS A 9 10.578 -4.458 18.377 1.00 0.00 H ATOM 108 HZ3 LYS A 9 10.944 -5.497 19.671 1.00 0.00 H ATOM 109 H LYS A 9 8.429 -4.634 13.553 1.00 0.00 H ATOM 110 N ILE A 10 9.934 -1.867 12.021 1.00 19.00 N ATOM 111 CA ILE A 10 10.678 -1.105 11.030 1.00 17.40 C ATOM 112 C ILE A 10 11.417 0.149 11.523 1.00 16.15 C ATOM 113 O ILE A 10 11.058 0.793 12.499 1.00 16.30 O ATOM 114 CB ILE A 10 9.827 -0.822 9.816 1.00 17.01 C ATOM 115 CG1 ILE A 10 8.738 0.188 10.122 1.00 17.58 C ATOM 116 CG2 ILE A 10 9.234 -2.155 9.342 1.00 21.23 C ATOM 117 CD1 ILE A 10 8.305 0.720 8.749 1.00 20.77 C ATOM 118 HA ILE A 10 11.499 -1.768 10.757 1.00 0.00 H ATOM 119 HB ILE A 10 10.438 -0.381 9.028 1.00 0.00 H ATOM 120 HG12 ILE A 10 7.901 -0.290 10.631 1.00 0.00 H ATOM 121 HG13 ILE A 10 9.125 0.996 10.743 1.00 0.00 H ATOM 122 HD11 ILE A 10 9.159 1.182 8.254 1.00 0.00 H ATOM 123 HD12 ILE A 10 7.934 -0.105 8.142 1.00 0.00 H ATOM 124 HD13 ILE A 10 7.516 1.460 8.880 1.00 0.00 H ATOM 125 HG21 ILE A 10 10.042 -2.841 9.088 1.00 0.00 H ATOM 126 HG22 ILE A 10 8.628 -2.585 10.139 1.00 0.00 H ATOM 127 HG23 ILE A 10 8.612 -1.983 8.463 1.00 0.00 H ATOM 128 H ILE A 10 8.899 -1.819 12.113 1.00 0.00 H ATOM 129 N THR A 11 12.509 0.439 10.793 1.00 0.00 N ATOM 130 CA THR A 11 13.392 1.606 11.059 1.00 0.00 C ATOM 131 C THR A 11 12.662 2.933 10.819 1.00 0.00 C ATOM 132 O THR A 11 11.875 3.065 9.884 1.00 0.00 O ATOM 133 CB THR A 11 14.328 1.831 9.894 1.00 0.00 C ATOM 134 OG1 THR A 11 13.925 2.288 8.599 1.00 0.00 O ATOM 135 CG2 THR A 11 14.688 0.348 9.805 1.00 0.00 C ATOM 136 HA THR A 11 13.796 1.400 12.050 1.00 0.00 H ATOM 137 HB THR A 11 15.014 2.655 10.092 1.00 0.00 H ATOM 138 HG1 THR A 11 13.499 3.178 8.682 1.00 0.00 H ATOM 139 HG23 THR A 11 14.996 -0.009 10.787 1.00 0.00 H ATOM 140 HG21 THR A 11 13.818 -0.216 9.468 1.00 0.00 H ATOM 141 HG22 THR A 11 15.505 0.216 9.096 1.00 0.00 H ATOM 142 H THR A 11 12.749 -0.188 9.998 1.00 0.00 H ATOM 143 N ARG A 12 12.982 3.944 11.591 1.00 10.51 N ATOM 144 CA ARG A 12 12.710 5.310 11.106 1.00 8.41 C ATOM 145 C ARG A 12 12.887 5.614 9.588 1.00 9.94 C ATOM 146 O ARG A 12 11.948 5.992 8.906 1.00 8.80 O ATOM 147 CB ARG A 12 13.542 6.273 11.940 1.00 6.02 C ATOM 148 CG ARG A 12 13.254 7.725 11.596 1.00 13.37 C ATOM 149 CD ARG A 12 13.668 8.546 12.788 1.00 12.91 C ATOM 150 NE ARG A 12 13.492 9.940 12.510 1.00 16.73 N ATOM 151 CZ ARG A 12 12.914 10.732 13.378 1.00 18.27 C ATOM 152 NH1 ARG A 12 12.442 10.271 14.525 1.00 10.66 N ATOM 153 NH2 ARG A 12 12.823 11.989 13.050 1.00 14.11 N ATOM 154 HA ARG A 12 11.634 5.435 11.230 1.00 0.00 H ATOM 155 HB2 ARG A 12 13.317 6.110 12.994 1.00 0.00 H ATOM 156 HB3 ARG A 12 14.598 6.072 11.760 1.00 0.00 H ATOM 157 HG2 ARG A 12 13.826 8.023 10.718 1.00 0.00 H ATOM 158 HG3 ARG A 12 12.191 7.860 11.398 1.00 0.00 H ATOM 159 HD2 ARG A 12 14.717 8.352 13.013 1.00 0.00 H ATOM 160 HD3 ARG A 12 13.057 8.269 13.647 1.00 0.00 H ATOM 161 HE ARG A 12 13.828 10.329 11.606 1.00 0.00 H ATOM 162 HH12 ARG A 12 11.987 10.920 15.198 1.00 0.00 H ATOM 163 HH11 ARG A 12 12.526 9.260 14.753 1.00 0.00 H ATOM 164 HH22 ARG A 12 12.374 12.665 13.700 1.00 0.00 H ATOM 165 HH21 ARG A 12 13.200 12.317 12.138 1.00 0.00 H ATOM 166 H ARG A 12 13.417 3.786 12.522 1.00 0.00 H ATOM 167 N ARG A 13 14.108 5.360 9.063 1.00 0.00 N ATOM 168 CA ARG A 13 14.330 5.640 7.636 1.00 0.00 C ATOM 169 C ARG A 13 13.544 4.775 6.669 1.00 0.00 C ATOM 170 O ARG A 13 13.073 5.180 5.620 1.00 0.00 O ATOM 171 CB ARG A 13 15.861 5.601 7.458 1.00 0.00 C ATOM 172 CG ARG A 13 16.392 5.414 5.969 1.00 0.00 C ATOM 173 CD ARG A 13 16.872 4.094 5.355 1.00 0.00 C ATOM 174 NE ARG A 13 16.024 3.511 4.311 1.00 0.00 N ATOM 175 CZ ARG A 13 16.266 2.244 3.926 1.00 0.00 C ATOM 176 NH1 ARG A 13 17.396 1.908 4.554 1.00 0.00 N ATOM 177 NH2 ARG A 13 15.780 1.470 2.972 1.00 0.00 N ATOM 178 HA ARG A 13 13.928 6.616 7.366 1.00 0.00 H ATOM 179 HB2 ARG A 13 16.264 6.539 7.840 1.00 0.00 H ATOM 180 HB3 ARG A 13 16.244 4.773 8.054 1.00 0.00 H ATOM 181 HG2 ARG A 13 15.578 5.751 5.328 1.00 0.00 H ATOM 182 HG3 ARG A 13 17.234 6.099 5.875 1.00 0.00 H ATOM 183 HD2 ARG A 13 16.954 3.364 6.161 1.00 0.00 H ATOM 184 HD3 ARG A 13 17.857 4.269 4.922 1.00 0.00 H ATOM 185 HE ARG A 13 15.255 4.062 3.879 1.00 0.00 H ATOM 186 HH12 ARG A 13 17.803 0.960 4.421 1.00 0.00 H ATOM 187 HH11 ARG A 13 17.869 2.594 5.176 1.00 0.00 H ATOM 188 HH22 ARG A 13 16.130 0.497 2.863 1.00 0.00 H ATOM 189 HH21 ARG A 13 15.047 1.834 2.330 1.00 0.00 H ATOM 190 H ARG A 13 14.872 4.976 9.655 1.00 0.00 H ATOM 191 N GLU A 14 13.366 3.514 7.064 1.00 0.00 N ATOM 192 CA GLU A 14 12.481 2.743 6.190 1.00 0.00 C ATOM 193 C GLU A 14 10.994 3.199 6.187 1.00 0.00 C ATOM 194 O GLU A 14 10.357 3.285 5.143 1.00 0.00 O ATOM 195 CB GLU A 14 12.796 1.245 6.329 1.00 0.00 C ATOM 196 CG GLU A 14 12.847 0.155 5.250 1.00 0.00 C ATOM 197 CD GLU A 14 13.580 0.216 3.930 1.00 0.00 C ATOM 198 OE1 GLU A 14 14.604 0.807 3.592 1.00 0.00 O ATOM 199 OE2 GLU A 14 13.111 -0.721 3.299 1.00 0.00 O ATOM 200 HA GLU A 14 12.703 2.978 5.149 1.00 0.00 H ATOM 201 HB2 GLU A 14 13.786 1.220 6.784 1.00 0.00 H ATOM 202 HB3 GLU A 14 12.059 0.881 7.045 1.00 0.00 H ATOM 203 HG2 GLU A 14 13.251 -0.722 5.755 1.00 0.00 H ATOM 204 HG3 GLU A 14 11.806 -0.027 4.985 1.00 0.00 H ATOM 205 H GLU A 14 13.814 3.116 7.914 1.00 0.00 H ATOM 206 N SER A 15 10.507 3.577 7.395 1.00 0.00 N ATOM 207 CA SER A 15 9.198 4.251 7.545 1.00 0.00 C ATOM 208 C SER A 15 8.954 5.411 6.590 1.00 0.00 C ATOM 209 O SER A 15 7.981 5.449 5.843 1.00 0.00 O ATOM 210 CB SER A 15 9.040 4.717 9.004 1.00 0.00 C ATOM 211 OG SER A 15 9.717 5.850 9.564 1.00 0.00 O ATOM 212 HA SER A 15 8.443 3.511 7.279 1.00 0.00 H ATOM 213 HB2 SER A 15 9.331 3.866 9.619 1.00 0.00 H ATOM 214 HB3 SER A 15 7.976 4.913 9.138 1.00 0.00 H ATOM 215 HG SER A 15 10.695 5.713 9.500 1.00 0.00 H ATOM 216 H SER A 15 11.073 3.386 8.246 1.00 0.00 H ATOM 217 N GLU A 16 9.958 6.326 6.614 1.00 9.15 N ATOM 218 CA GLU A 16 10.060 7.459 5.697 1.00 8.38 C ATOM 219 C GLU A 16 10.098 7.149 4.225 1.00 10.54 C ATOM 220 O GLU A 16 9.348 7.699 3.428 1.00 9.99 O ATOM 221 CB GLU A 16 11.222 8.372 6.065 1.00 11.00 C ATOM 222 CG GLU A 16 11.093 8.853 7.508 1.00 15.17 C ATOM 223 CD GLU A 16 12.309 9.672 7.928 1.00 22.05 C ATOM 224 OE1 GLU A 16 13.457 9.335 7.612 1.00 26.27 O ATOM 225 OE2 GLU A 16 12.111 10.662 8.608 1.00 22.25 O ATOM 226 HA GLU A 16 9.106 7.966 5.842 1.00 0.00 H ATOM 227 HB2 GLU A 16 12.158 7.824 5.952 1.00 0.00 H ATOM 228 HB3 GLU A 16 11.225 9.235 5.399 1.00 0.00 H ATOM 229 HG2 GLU A 16 10.200 9.471 7.598 1.00 0.00 H ATOM 230 HG3 GLU A 16 11.003 7.988 8.165 1.00 0.00 H ATOM 231 H GLU A 16 10.702 6.213 7.332 1.00 0.00 H ATOM 232 N ALA A 17 10.943 6.191 3.859 1.00 0.00 N ATOM 233 CA ALA A 17 10.860 5.733 2.466 1.00 0.00 C ATOM 234 C ALA A 17 9.498 5.196 1.992 1.00 0.00 C ATOM 235 O ALA A 17 8.987 5.544 0.936 1.00 0.00 O ATOM 236 CB ALA A 17 12.053 4.761 2.285 1.00 0.00 C ATOM 237 HA ALA A 17 10.935 6.587 1.793 1.00 0.00 H ATOM 238 HB1 ALA A 17 12.985 5.292 2.477 1.00 0.00 H ATOM 239 HB2 ALA A 17 11.954 3.932 2.986 1.00 0.00 H ATOM 240 HB3 ALA A 17 12.056 4.377 1.265 1.00 0.00 H ATOM 241 H ALA A 17 11.630 5.785 4.526 1.00 0.00 H ATOM 242 N LEU A 18 8.848 4.391 2.852 1.00 12.46 N ATOM 243 CA LEU A 18 7.439 3.985 2.590 1.00 11.92 C ATOM 244 C LEU A 18 6.368 5.075 2.474 1.00 11.82 C ATOM 245 O LEU A 18 5.652 5.222 1.489 1.00 12.60 O ATOM 246 CB LEU A 18 6.987 2.992 3.648 1.00 12.77 C ATOM 247 CG LEU A 18 7.086 1.494 3.326 1.00 15.45 C ATOM 248 CD1 LEU A 18 7.744 1.158 1.980 1.00 15.70 C ATOM 249 CD2 LEU A 18 7.698 0.773 4.523 1.00 12.58 C ATOM 250 HA LEU A 18 7.503 3.568 1.585 1.00 0.00 H ATOM 251 HB2 LEU A 18 7.589 3.172 4.539 1.00 0.00 H ATOM 252 HB3 LEU A 18 5.941 3.207 3.868 1.00 0.00 H ATOM 253 HG LEU A 18 6.075 1.118 3.170 1.00 0.00 H ATOM 254 HD21 LEU A 18 8.692 1.176 4.719 1.00 0.00 H ATOM 255 HD22 LEU A 18 7.065 0.922 5.398 1.00 0.00 H ATOM 256 HD23 LEU A 18 7.773 -0.292 4.305 1.00 0.00 H ATOM 257 HD11 LEU A 18 7.170 1.613 1.173 1.00 0.00 H ATOM 258 HD12 LEU A 18 8.762 1.547 1.968 1.00 0.00 H ATOM 259 HD13 LEU A 18 7.766 0.076 1.848 1.00 0.00 H ATOM 260 H LEU A 18 9.333 4.050 3.706 1.00 0.00 H ATOM 261 N LEU A 19 6.284 5.881 3.534 1.00 12.51 N ATOM 262 CA LEU A 19 5.366 7.036 3.479 1.00 15.41 C ATOM 263 C LEU A 19 5.495 7.992 2.285 1.00 16.89 C ATOM 264 O LEU A 19 4.519 8.431 1.699 1.00 19.65 O ATOM 265 CB LEU A 19 5.411 7.829 4.805 1.00 11.82 C ATOM 266 CG LEU A 19 4.990 6.994 6.012 1.00 7.43 C ATOM 267 CD1 LEU A 19 5.323 7.693 7.308 1.00 4.55 C ATOM 268 CD2 LEU A 19 3.507 6.666 5.944 1.00 10.14 C ATOM 269 HA LEU A 19 4.394 6.568 3.324 1.00 0.00 H ATOM 270 HB2 LEU A 19 6.430 8.182 4.965 1.00 0.00 H ATOM 271 HB3 LEU A 19 4.740 8.684 4.722 1.00 0.00 H ATOM 272 HG LEU A 19 5.553 6.061 5.985 1.00 0.00 H ATOM 273 HD21 LEU A 19 2.931 7.592 5.936 1.00 0.00 H ATOM 274 HD22 LEU A 19 3.302 6.101 5.034 1.00 0.00 H ATOM 275 HD23 LEU A 19 3.228 6.071 6.813 1.00 0.00 H ATOM 276 HD11 LEU A 19 6.398 7.863 7.362 1.00 0.00 H ATOM 277 HD12 LEU A 19 4.801 8.649 7.348 1.00 0.00 H ATOM 278 HD13 LEU A 19 5.010 7.070 8.146 1.00 0.00 H ATOM 279 H LEU A 19 6.855 5.699 4.384 1.00 0.00 H ATOM 280 N LEU A 20 6.743 8.282 1.938 1.00 18.57 N ATOM 281 CA LEU A 20 7.052 9.297 0.925 1.00 19.88 C ATOM 282 C LEU A 20 6.835 8.958 -0.542 1.00 21.81 C ATOM 283 O LEU A 20 7.142 9.708 -1.460 1.00 22.66 O ATOM 284 CB LEU A 20 8.472 9.803 1.155 1.00 21.29 C ATOM 285 CG LEU A 20 8.609 10.644 2.431 1.00 24.88 C ATOM 286 CD1 LEU A 20 10.055 10.812 2.887 1.00 25.05 C ATOM 287 CD2 LEU A 20 7.926 12.002 2.277 1.00 27.28 C ATOM 288 HA LEU A 20 6.293 10.063 1.086 1.00 0.00 H ATOM 289 HB2 LEU A 20 9.139 8.944 1.231 1.00 0.00 H ATOM 290 HB3 LEU A 20 8.766 10.415 0.302 1.00 0.00 H ATOM 291 HG LEU A 20 8.099 10.085 3.216 1.00 0.00 H ATOM 292 HD21 LEU A 20 8.384 12.546 1.451 1.00 0.00 H ATOM 293 HD22 LEU A 20 6.866 11.853 2.071 1.00 0.00 H ATOM 294 HD23 LEU A 20 8.042 12.572 3.199 1.00 0.00 H ATOM 295 HD11 LEU A 20 10.487 9.832 3.090 1.00 0.00 H ATOM 296 HD12 LEU A 20 10.627 11.307 2.102 1.00 0.00 H ATOM 297 HD13 LEU A 20 10.081 11.416 3.794 1.00 0.00 H ATOM 298 H LEU A 20 7.525 7.774 2.398 1.00 0.00 H ATOM 299 N ASN A 21 6.210 7.798 -0.733 1.00 23.05 N ATOM 300 CA ASN A 21 5.647 7.519 -2.052 1.00 22.03 C ATOM 301 C ASN A 21 4.708 8.634 -2.524 1.00 21.10 C ATOM 302 O ASN A 21 3.787 9.038 -1.829 1.00 19.99 O ATOM 303 CB ASN A 21 4.971 6.152 -1.918 1.00 23.94 C ATOM 304 CG ASN A 21 4.293 5.674 -3.197 1.00 27.07 C ATOM 305 OD1 ASN A 21 4.217 6.355 -4.208 1.00 28.41 O ATOM 306 ND2 ASN A 21 3.746 4.475 -3.108 1.00 26.95 N ATOM 307 HA ASN A 21 6.410 7.490 -2.830 1.00 0.00 H ATOM 308 HB2 ASN A 21 5.728 5.420 -1.635 1.00 0.00 H ATOM 309 HB3 ASN A 21 4.218 6.216 -1.133 1.00 0.00 H ATOM 310 HD22 ASN A 21 3.834 3.927 -2.228 1.00 0.00 H ATOM 311 HD21 ASN A 21 3.227 4.079 -3.918 1.00 0.00 H ATOM 312 H ASN A 21 6.125 7.106 0.039 1.00 0.00 H ATOM 313 N PRO A 22 4.948 9.163 -3.739 1.00 21.10 N ATOM 314 CA PRO A 22 4.100 10.283 -4.150 1.00 20.26 C ATOM 315 C PRO A 22 2.628 9.967 -4.414 1.00 22.08 C ATOM 316 O PRO A 22 1.819 10.874 -4.523 1.00 25.85 O ATOM 317 CB PRO A 22 4.858 10.824 -5.357 1.00 21.86 C ATOM 318 CG PRO A 22 5.543 9.576 -5.935 1.00 21.76 C ATOM 319 CD PRO A 22 5.989 8.828 -4.687 1.00 19.37 C ATOM 320 HA PRO A 22 3.967 11.008 -3.347 1.00 0.00 H ATOM 321 HD3 PRO A 22 6.031 7.753 -4.864 1.00 0.00 H ATOM 322 HD2 PRO A 22 6.963 9.177 -4.344 1.00 0.00 H ATOM 323 HG3 PRO A 22 6.396 9.848 -6.556 1.00 0.00 H ATOM 324 HG2 PRO A 22 4.844 8.980 -6.522 1.00 0.00 H ATOM 325 HB2 PRO A 22 4.174 11.265 -6.082 1.00 0.00 H ATOM 326 HB3 PRO A 22 5.594 11.569 -5.054 1.00 0.00 H ATOM 327 N GLU A 23 2.290 8.667 -4.498 1.00 21.22 N ATOM 328 CA GLU A 23 0.881 8.215 -4.461 1.00 23.32 C ATOM 329 C GLU A 23 0.071 8.589 -3.201 1.00 22.02 C ATOM 330 O GLU A 23 -1.116 8.920 -3.196 1.00 21.99 O ATOM 331 CB GLU A 23 0.875 6.686 -4.516 1.00 28.21 C ATOM 332 CG GLU A 23 0.257 6.026 -5.743 1.00 37.01 C ATOM 333 CD GLU A 23 1.060 6.276 -7.005 1.00 42.96 C ATOM 334 OE1 GLU A 23 1.109 7.420 -7.499 1.00 48.19 O ATOM 335 OE2 GLU A 23 1.629 5.305 -7.494 1.00 42.01 O ATOM 336 HA GLU A 23 0.408 8.719 -5.304 1.00 0.00 H ATOM 337 HB2 GLU A 23 1.911 6.353 -4.453 1.00 0.00 H ATOM 338 HB3 GLU A 23 0.327 6.330 -3.643 1.00 0.00 H ATOM 339 HG2 GLU A 23 0.202 4.951 -5.571 1.00 0.00 H ATOM 340 HG3 GLU A 23 -0.748 6.422 -5.884 1.00 0.00 H ATOM 341 H GLU A 23 3.044 7.957 -4.592 1.00 0.00 H ATOM 342 N ASN A 24 0.827 8.502 -2.096 1.00 18.77 N ATOM 343 CA ASN A 24 0.289 8.718 -0.746 1.00 17.67 C ATOM 344 C ASN A 24 -0.178 10.161 -0.424 1.00 16.74 C ATOM 345 O ASN A 24 0.583 11.115 -0.539 1.00 17.24 O ATOM 346 CB ASN A 24 1.334 8.250 0.310 1.00 17.20 C ATOM 347 CG ASN A 24 1.617 6.750 0.197 1.00 12.97 C ATOM 348 OD1 ASN A 24 0.877 5.968 -0.364 1.00 11.31 O ATOM 349 ND2 ASN A 24 2.737 6.349 0.725 1.00 15.93 N ATOM 350 HA ASN A 24 -0.621 8.120 -0.705 1.00 0.00 H ATOM 351 HB2 ASN A 24 2.263 8.798 0.155 1.00 0.00 H ATOM 352 HB3 ASN A 24 0.949 8.463 1.307 1.00 0.00 H ATOM 353 HD22 ASN A 24 3.360 7.031 1.202 1.00 0.00 H ATOM 354 HD21 ASN A 24 3.009 5.347 0.670 1.00 0.00 H ATOM 355 H ASN A 24 1.836 8.272 -2.199 1.00 0.00 H ATOM 356 N PRO A 25 -1.467 10.297 -0.003 1.00 16.45 N ATOM 357 CA PRO A 25 -1.954 11.621 0.367 1.00 13.56 C ATOM 358 C PRO A 25 -1.502 12.047 1.756 1.00 14.88 C ATOM 359 O PRO A 25 -1.063 11.207 2.543 1.00 16.03 O ATOM 360 CB PRO A 25 -3.450 11.379 0.243 1.00 14.71 C ATOM 361 CG PRO A 25 -3.723 9.923 0.600 1.00 13.11 C ATOM 362 CD PRO A 25 -2.490 9.240 0.069 1.00 14.99 C ATOM 363 HA PRO A 25 -1.583 12.447 -0.240 1.00 0.00 H ATOM 364 HD3 PRO A 25 -2.172 8.445 0.743 1.00 0.00 H ATOM 365 HD2 PRO A 25 -2.679 8.822 -0.920 1.00 0.00 H ATOM 366 HG3 PRO A 25 -4.624 9.555 0.108 1.00 0.00 H ATOM 367 HG2 PRO A 25 -3.818 9.789 1.678 1.00 0.00 H ATOM 368 HB2 PRO A 25 -3.989 12.035 0.926 1.00 0.00 H ATOM 369 HB3 PRO A 25 -3.773 11.576 -0.779 1.00 0.00 H ATOM 370 N ARG A 26 -1.648 13.373 2.066 1.00 13.28 N ATOM 371 CA ARG A 26 -1.394 13.814 3.468 1.00 12.01 C ATOM 372 C ARG A 26 -2.139 13.027 4.539 1.00 10.36 C ATOM 373 O ARG A 26 -3.274 12.605 4.361 1.00 11.59 O ATOM 374 CB ARG A 26 -1.815 15.251 3.730 1.00 14.24 C ATOM 375 CG ARG A 26 -1.139 16.325 2.951 1.00 16.39 C ATOM 376 CD ARG A 26 -1.856 17.643 3.217 1.00 24.82 C ATOM 377 NE ARG A 26 -1.182 18.483 4.205 1.00 31.90 N ATOM 378 CZ ARG A 26 -1.320 19.799 4.099 1.00 34.21 C ATOM 379 NH1 ARG A 26 -2.132 20.328 3.222 1.00 36.45 N ATOM 380 NH2 ARG A 26 -0.618 20.592 4.851 1.00 35.49 N ATOM 381 HA ARG A 26 -0.317 13.661 3.542 1.00 0.00 H ATOM 382 HB2 ARG A 26 -2.883 15.321 3.522 1.00 0.00 H ATOM 383 HB3 ARG A 26 -1.638 15.455 4.786 1.00 0.00 H ATOM 384 HG2 ARG A 26 -0.097 16.404 3.262 1.00 0.00 H ATOM 385 HG3 ARG A 26 -1.183 16.091 1.887 1.00 0.00 H ATOM 386 HD2 ARG A 26 -2.861 17.423 3.578 1.00 0.00 H ATOM 387 HD3 ARG A 26 -1.921 18.196 2.280 1.00 0.00 H ATOM 388 HE ARG A 26 -0.612 18.063 4.967 1.00 0.00 H ATOM 389 HH12 ARG A 26 -2.225 21.362 3.156 1.00 0.00 H ATOM 390 HH11 ARG A 26 -2.686 19.715 2.590 1.00 0.00 H ATOM 391 HH22 ARG A 26 -0.728 21.623 4.766 1.00 0.00 H ATOM 392 HH21 ARG A 26 0.055 20.196 5.539 1.00 0.00 H ATOM 393 H ARG A 26 -1.931 14.059 1.338 1.00 0.00 H ATOM 394 N GLY A 27 -1.474 12.800 5.657 1.00 9.51 N ATOM 395 CA GLY A 27 -2.214 11.960 6.606 1.00 8.65 C ATOM 396 C GLY A 27 -2.005 10.467 6.446 1.00 8.41 C ATOM 397 O GLY A 27 -2.459 9.684 7.269 1.00 8.29 O ATOM 398 HA3 GLY A 27 -3.277 12.167 6.482 1.00 0.00 H ATOM 399 HA2 GLY A 27 -1.906 12.238 7.614 1.00 0.00 H ATOM 400 H GLY A 27 -0.524 13.178 5.846 1.00 0.00 H ATOM 401 N THR A 28 -1.273 10.085 5.379 1.00 9.54 N ATOM 402 CA THR A 28 -0.882 8.650 5.347 1.00 10.19 C ATOM 403 C THR A 28 0.021 8.283 6.533 1.00 10.72 C ATOM 404 O THR A 28 0.924 9.013 6.915 1.00 8.55 O ATOM 405 CB THR A 28 -0.232 8.187 3.992 1.00 10.68 C ATOM 406 OG1 THR A 28 -1.078 8.509 2.866 1.00 9.99 O ATOM 407 CG2 THR A 28 0.159 6.680 3.913 1.00 2.00 C ATOM 408 HA THR A 28 -1.820 8.102 5.433 1.00 0.00 H ATOM 409 HB THR A 28 0.702 8.748 3.953 1.00 0.00 H ATOM 410 HG1 THR A 28 -1.219 9.488 2.830 1.00 0.00 H ATOM 411 HG23 THR A 28 0.798 6.427 4.759 1.00 0.00 H ATOM 412 HG21 THR A 28 -0.744 6.070 3.942 1.00 0.00 H ATOM 413 HG22 THR A 28 0.695 6.493 2.983 1.00 0.00 H ATOM 414 H THR A 28 -1.000 10.750 4.628 1.00 0.00 H ATOM 415 N PHE A 29 -0.286 7.135 7.123 1.00 8.96 N ATOM 416 CA PHE A 29 0.348 6.791 8.371 1.00 6.33 C ATOM 417 C PHE A 29 0.689 5.293 8.594 1.00 8.71 C ATOM 418 O PHE A 29 0.198 4.345 7.966 1.00 7.57 O ATOM 419 CB PHE A 29 -0.479 7.339 9.545 1.00 5.65 C ATOM 420 CG PHE A 29 -1.715 6.490 9.745 1.00 7.24 C ATOM 421 CD1 PHE A 29 -2.829 6.658 8.892 1.00 6.45 C ATOM 422 CD2 PHE A 29 -1.716 5.532 10.771 1.00 5.99 C ATOM 423 CE1 PHE A 29 -3.976 5.877 9.072 1.00 2.19 C ATOM 424 CE2 PHE A 29 -2.877 4.745 10.948 1.00 7.26 C ATOM 425 CZ PHE A 29 -3.984 4.941 10.104 1.00 6.18 C ATOM 426 HA PHE A 29 1.327 7.268 8.317 1.00 0.00 H ATOM 427 HB2 PHE A 29 0.124 7.319 10.453 1.00 0.00 H ATOM 428 HB3 PHE A 29 -0.776 8.365 9.330 1.00 0.00 H ATOM 429 HD2 PHE A 29 -0.846 5.399 11.413 1.00 0.00 H ATOM 430 HE2 PHE A 29 -2.914 3.991 11.734 1.00 0.00 H ATOM 431 HZ PHE A 29 -4.879 4.340 10.262 1.00 0.00 H ATOM 432 HE1 PHE A 29 -4.842 5.998 8.421 1.00 0.00 H ATOM 433 HD1 PHE A 29 -2.795 7.398 8.092 1.00 0.00 H ATOM 434 H PHE A 29 -0.977 6.490 6.689 1.00 0.00 H ATOM 435 N LEU A 30 1.601 5.146 9.561 1.00 7.92 N ATOM 436 CA LEU A 30 1.815 3.836 10.167 1.00 8.84 C ATOM 437 C LEU A 30 2.176 3.954 11.650 1.00 9.92 C ATOM 438 O LEU A 30 2.608 5.019 12.104 1.00 10.25 O ATOM 439 CB LEU A 30 2.770 2.944 9.307 1.00 6.50 C ATOM 440 CG LEU A 30 4.335 2.923 9.249 1.00 12.27 C ATOM 441 CD1 LEU A 30 4.925 3.168 7.828 1.00 8.75 C ATOM 442 CD2 LEU A 30 5.105 3.619 10.370 1.00 10.07 C ATOM 443 HA LEU A 30 0.871 3.290 10.162 1.00 0.00 H ATOM 444 HB2 LEU A 30 2.498 1.923 9.576 1.00 0.00 H ATOM 445 HB3 LEU A 30 2.466 3.140 8.279 1.00 0.00 H ATOM 446 HG LEU A 30 4.530 1.877 9.485 1.00 0.00 H ATOM 447 HD21 LEU A 30 4.836 4.675 10.392 1.00 0.00 H ATOM 448 HD22 LEU A 30 4.851 3.158 11.324 1.00 0.00 H ATOM 449 HD23 LEU A 30 6.175 3.519 10.190 1.00 0.00 H ATOM 450 HD11 LEU A 30 4.569 2.393 7.149 1.00 0.00 H ATOM 451 HD12 LEU A 30 4.604 4.145 7.466 1.00 0.00 H ATOM 452 HD13 LEU A 30 6.013 3.137 7.878 1.00 0.00 H ATOM 453 H LEU A 30 2.157 5.965 9.881 1.00 0.00 H ATOM 454 N VAL A 31 2.007 2.821 12.348 1.00 8.80 N ATOM 455 CA VAL A 31 2.524 2.688 13.714 1.00 10.30 C ATOM 456 C VAL A 31 3.687 1.712 13.798 1.00 10.34 C ATOM 457 O VAL A 31 3.647 0.626 13.260 1.00 12.69 O ATOM 458 CB VAL A 31 1.428 2.348 14.766 1.00 10.33 C ATOM 459 CG1 VAL A 31 2.013 2.020 16.153 1.00 8.30 C ATOM 460 CG2 VAL A 31 0.405 3.503 14.863 1.00 9.75 C ATOM 461 HA VAL A 31 2.899 3.678 13.972 1.00 0.00 H ATOM 462 HB VAL A 31 0.922 1.446 14.422 1.00 0.00 H ATOM 463 HG11 VAL A 31 2.676 1.159 16.072 1.00 0.00 H ATOM 464 HG12 VAL A 31 2.574 2.879 16.522 1.00 0.00 H ATOM 465 HG13 VAL A 31 1.201 1.791 16.843 1.00 0.00 H ATOM 466 HG21 VAL A 31 0.918 4.417 15.164 1.00 0.00 H ATOM 467 HG22 VAL A 31 -0.066 3.652 13.891 1.00 0.00 H ATOM 468 HG23 VAL A 31 -0.356 3.252 15.602 1.00 0.00 H ATOM 469 H VAL A 31 1.501 2.023 11.913 1.00 0.00 H ATOM 470 N ARG A 32 4.750 2.151 14.454 1.00 11.39 N ATOM 471 CA ARG A 32 5.915 1.276 14.593 1.00 11.58 C ATOM 472 C ARG A 32 6.451 1.294 16.015 1.00 9.78 C ATOM 473 O ARG A 32 6.146 2.176 16.783 1.00 7.79 O ATOM 474 CB ARG A 32 7.011 1.675 13.583 1.00 10.11 C ATOM 475 CG ARG A 32 7.435 3.155 13.614 1.00 11.18 C ATOM 476 CD ARG A 32 8.494 3.492 12.544 1.00 9.75 C ATOM 477 NE ARG A 32 9.004 4.870 12.648 1.00 6.32 N ATOM 478 CZ ARG A 32 9.879 5.259 13.598 1.00 6.76 C ATOM 479 NH1 ARG A 32 10.379 4.460 14.480 1.00 7.65 N ATOM 480 NH2 ARG A 32 10.244 6.502 13.687 1.00 6.75 N ATOM 481 HA ARG A 32 5.601 0.255 14.374 1.00 0.00 H ATOM 482 HB2 ARG A 32 7.893 1.068 13.787 1.00 0.00 H ATOM 483 HB3 ARG A 32 6.642 1.452 12.582 1.00 0.00 H ATOM 484 HG2 ARG A 32 6.555 3.774 13.441 1.00 0.00 H ATOM 485 HG3 ARG A 32 7.848 3.379 14.597 1.00 0.00 H ATOM 486 HD2 ARG A 32 8.046 3.361 11.559 1.00 0.00 H ATOM 487 HD3 ARG A 32 9.331 2.803 12.655 1.00 0.00 H ATOM 488 HE ARG A 32 8.675 5.575 11.958 1.00 0.00 H ATOM 489 HH12 ARG A 32 11.050 4.821 15.188 1.00 0.00 H ATOM 490 HH11 ARG A 32 10.111 3.455 14.483 1.00 0.00 H ATOM 491 HH22 ARG A 32 10.919 6.794 14.422 1.00 0.00 H ATOM 492 HH21 ARG A 32 9.861 7.205 13.023 1.00 0.00 H ATOM 493 H ARG A 32 4.757 3.106 14.866 1.00 0.00 H ATOM 494 N GLU A 33 7.287 0.324 16.344 1.00 11.53 N ATOM 495 CA GLU A 33 8.144 0.520 17.516 1.00 13.34 C ATOM 496 C GLU A 33 9.088 1.730 17.390 1.00 15.44 C ATOM 497 O GLU A 33 9.550 2.062 16.300 1.00 16.09 O ATOM 498 CB GLU A 33 8.947 -0.760 17.686 1.00 15.93 C ATOM 499 CG GLU A 33 8.660 -1.464 19.009 1.00 22.20 C ATOM 500 CD GLU A 33 9.515 -2.712 19.091 1.00 24.47 C ATOM 501 OE1 GLU A 33 10.664 -2.711 18.642 1.00 28.51 O ATOM 502 OE2 GLU A 33 9.042 -3.717 19.597 1.00 22.86 O ATOM 503 HA GLU A 33 7.518 0.734 18.382 1.00 0.00 H ATOM 504 HB2 GLU A 33 8.700 -1.438 16.869 1.00 0.00 H ATOM 505 HB3 GLU A 33 10.008 -0.514 17.644 1.00 0.00 H ATOM 506 HG2 GLU A 33 8.901 -0.799 19.838 1.00 0.00 H ATOM 507 HG3 GLU A 33 7.606 -1.737 19.058 1.00 0.00 H ATOM 508 H GLU A 33 7.335 -0.553 15.787 1.00 0.00 H ATOM 509 N SER A 34 9.325 2.421 18.514 1.00 15.31 N ATOM 510 CA SER A 34 10.400 3.436 18.511 1.00 14.07 C ATOM 511 C SER A 34 11.764 2.790 18.496 1.00 15.99 C ATOM 512 O SER A 34 12.125 2.081 19.423 1.00 19.69 O ATOM 513 CB SER A 34 10.374 4.292 19.776 1.00 8.74 C ATOM 514 OG SER A 34 11.434 5.248 19.780 1.00 11.05 O ATOM 515 HA SER A 34 10.226 4.038 17.619 1.00 0.00 H ATOM 516 HB2 SER A 34 10.478 3.643 20.646 1.00 0.00 H ATOM 517 HB3 SER A 34 9.421 4.818 19.829 1.00 0.00 H ATOM 518 HG SER A 34 11.342 5.844 18.995 1.00 0.00 H ATOM 519 H SER A 34 8.763 2.246 19.372 1.00 0.00 H ATOM 520 N GLU A 35 12.559 3.060 17.442 1.00 18.50 N ATOM 521 CA GLU A 35 13.955 2.556 17.469 1.00 16.32 C ATOM 522 C GLU A 35 14.820 2.970 18.642 1.00 16.00 C ATOM 523 O GLU A 35 15.777 2.331 19.053 1.00 18.50 O ATOM 524 CB GLU A 35 14.767 3.038 16.294 1.00 18.99 C ATOM 525 CG GLU A 35 14.409 2.416 14.975 1.00 22.12 C ATOM 526 CD GLU A 35 15.347 3.042 14.027 1.00 20.41 C ATOM 527 OE1 GLU A 35 15.040 4.101 13.529 1.00 22.93 O ATOM 528 OE2 GLU A 35 16.403 2.510 13.817 1.00 23.39 O ATOM 529 HA GLU A 35 13.761 1.484 17.496 1.00 0.00 H ATOM 530 HB2 GLU A 35 14.630 4.116 16.208 1.00 0.00 H ATOM 531 HB3 GLU A 35 15.816 2.821 16.496 1.00 0.00 H ATOM 532 HG2 GLU A 35 14.549 1.335 15.004 1.00 0.00 H ATOM 533 HG3 GLU A 35 13.377 2.641 14.706 1.00 0.00 H ATOM 534 H GLU A 35 12.204 3.607 16.632 1.00 0.00 H ATOM 535 N THR A 36 14.487 4.107 19.209 1.00 15.62 N ATOM 536 CA THR A 36 15.465 4.616 20.169 1.00 17.18 C ATOM 537 C THR A 36 14.998 4.638 21.616 1.00 19.27 C ATOM 538 O THR A 36 15.741 4.303 22.530 1.00 22.39 O ATOM 539 CB THR A 36 15.973 5.973 19.709 1.00 16.89 C ATOM 540 OG1 THR A 36 14.859 6.833 19.431 1.00 16.18 O ATOM 541 CG2 THR A 36 16.840 5.825 18.452 1.00 16.79 C ATOM 542 HA THR A 36 16.287 3.900 20.179 1.00 0.00 H ATOM 543 HB THR A 36 16.582 6.408 20.502 1.00 0.00 H ATOM 544 HG1 THR A 36 14.317 6.944 20.252 1.00 0.00 H ATOM 545 HG23 THR A 36 17.684 5.171 18.669 1.00 0.00 H ATOM 546 HG21 THR A 36 16.242 5.394 17.649 1.00 0.00 H ATOM 547 HG22 THR A 36 17.207 6.805 18.148 1.00 0.00 H ATOM 548 H THR A 36 13.600 4.605 18.993 1.00 0.00 H ATOM 549 N THR A 37 13.707 4.934 21.799 1.00 18.66 N ATOM 550 CA THR A 37 13.138 4.725 23.145 1.00 19.75 C ATOM 551 C THR A 37 12.511 3.366 23.369 1.00 22.86 C ATOM 552 O THR A 37 11.470 3.031 22.833 1.00 24.26 O ATOM 553 CB THR A 37 12.072 5.742 23.487 1.00 20.07 C ATOM 554 OG1 THR A 37 12.559 7.061 23.229 1.00 21.28 O ATOM 555 CG2 THR A 37 11.567 5.627 24.936 1.00 23.12 C ATOM 556 HA THR A 37 14.013 4.825 23.787 1.00 0.00 H ATOM 557 HB THR A 37 11.215 5.532 22.847 1.00 0.00 H ATOM 558 HG1 THR A 37 12.795 7.143 22.271 1.00 0.00 H ATOM 559 HG23 THR A 37 11.201 4.616 25.113 1.00 0.00 H ATOM 560 HG21 THR A 37 12.385 5.843 25.623 1.00 0.00 H ATOM 561 HG22 THR A 37 10.759 6.341 25.095 1.00 0.00 H ATOM 562 H THR A 37 13.123 5.299 21.019 1.00 0.00 H ATOM 563 N LYS A 38 13.163 2.569 24.200 1.00 25.83 N ATOM 564 CA LYS A 38 12.530 1.278 24.480 1.00 27.48 C ATOM 565 C LYS A 38 11.269 1.265 25.354 1.00 25.24 C ATOM 566 O LYS A 38 11.103 2.035 26.295 1.00 26.20 O ATOM 567 CB LYS A 38 13.605 0.293 24.915 1.00 31.28 C ATOM 568 CG LYS A 38 13.783 -0.752 23.808 1.00 37.96 C ATOM 569 CD LYS A 38 14.037 -0.219 22.385 1.00 39.95 C ATOM 570 CE LYS A 38 15.367 0.515 22.256 1.00 40.94 C ATOM 571 NZ LYS A 38 15.773 0.477 20.854 1.00 44.64 N ATOM 572 HA LYS A 38 12.081 0.959 23.539 1.00 0.00 H ATOM 573 HB2 LYS A 38 14.545 0.821 25.077 1.00 0.00 H ATOM 574 HB3 LYS A 38 13.302 -0.198 25.840 1.00 0.00 H ATOM 575 HG2 LYS A 38 14.630 -1.381 24.081 1.00 0.00 H ATOM 576 HG3 LYS A 38 12.877 -1.358 23.777 1.00 0.00 H ATOM 577 HD2 LYS A 38 14.035 -1.061 21.692 1.00 0.00 H ATOM 578 HD3 LYS A 38 13.233 0.468 22.122 1.00 0.00 H ATOM 579 HE2 LYS A 38 16.121 0.025 22.872 1.00 0.00 H ATOM 580 HE3 LYS A 38 15.251 1.549 22.579 1.00 0.00 H ATOM 581 HZ1 LYS A 38 15.879 -0.512 20.552 1.00 0.00 H ATOM 582 HZ2 LYS A 38 15.048 0.943 20.272 1.00 0.00 H ATOM 583 HZ3 LYS A 38 16.680 0.973 20.743 1.00 0.00 H ATOM 584 H LYS A 38 14.070 2.843 24.629 1.00 0.00 H ATOM 585 N GLY A 39 10.331 0.407 24.911 1.00 23.06 N ATOM 586 CA GLY A 39 8.951 0.585 25.415 1.00 22.04 C ATOM 587 C GLY A 39 8.031 1.649 24.748 1.00 19.86 C ATOM 588 O GLY A 39 6.818 1.608 24.874 1.00 19.60 O ATOM 589 HA3 GLY A 39 9.028 0.847 26.470 1.00 0.00 H ATOM 590 HA2 GLY A 39 8.449 -0.377 25.316 1.00 0.00 H ATOM 591 H GLY A 39 10.567 -0.352 24.240 1.00 0.00 H ATOM 592 N ALA A 40 8.635 2.597 24.010 1.00 18.50 N ATOM 593 CA ALA A 40 7.750 3.533 23.282 1.00 17.03 C ATOM 594 C ALA A 40 7.390 3.025 21.893 1.00 15.15 C ATOM 595 O ALA A 40 7.995 2.108 21.353 1.00 16.08 O ATOM 596 CB ALA A 40 8.345 4.958 23.161 1.00 13.91 C ATOM 597 HA ALA A 40 6.845 3.589 23.887 1.00 0.00 H ATOM 598 HB1 ALA A 40 8.512 5.367 24.158 1.00 0.00 H ATOM 599 HB2 ALA A 40 9.292 4.911 22.623 1.00 0.00 H ATOM 600 HB3 ALA A 40 7.648 5.596 22.617 1.00 0.00 H ATOM 601 H ALA A 40 9.671 2.669 23.954 1.00 0.00 H ATOM 602 N TYR A 41 6.357 3.634 21.323 1.00 13.87 N ATOM 603 CA TYR A 41 5.969 3.336 19.936 1.00 9.20 C ATOM 604 C TYR A 41 6.068 4.637 19.181 1.00 7.67 C ATOM 605 O TYR A 41 6.328 5.677 19.757 1.00 8.01 O ATOM 606 CB TYR A 41 4.511 2.795 19.834 1.00 9.93 C ATOM 607 CG TYR A 41 4.360 1.416 20.428 1.00 9.93 C ATOM 608 CD1 TYR A 41 4.647 0.313 19.605 1.00 10.29 C ATOM 609 CD2 TYR A 41 3.985 1.271 21.767 1.00 10.48 C ATOM 610 CE1 TYR A 41 4.682 -0.962 20.178 1.00 12.21 C ATOM 611 CE2 TYR A 41 3.991 -0.015 22.341 1.00 9.51 C ATOM 612 CZ TYR A 41 4.384 -1.095 21.546 1.00 10.66 C ATOM 613 OH TYR A 41 4.521 -2.344 22.124 1.00 16.89 O ATOM 614 HA TYR A 41 6.621 2.563 19.530 1.00 0.00 H ATOM 615 HB3 TYR A 41 4.226 2.756 18.783 1.00 0.00 H ATOM 616 HB2 TYR A 41 3.847 3.478 20.364 1.00 0.00 H ATOM 617 HD2 TYR A 41 3.693 2.139 22.357 1.00 0.00 H ATOM 618 HE2 TYR A 41 3.696 -0.164 23.380 1.00 0.00 H ATOM 619 HE1 TYR A 41 4.935 -1.835 19.577 1.00 0.00 H ATOM 620 HD1 TYR A 41 4.839 0.449 18.541 1.00 0.00 H ATOM 621 HH TYR A 41 5.204 -2.302 22.839 1.00 0.00 H ATOM 622 H TYR A 41 5.813 4.334 21.867 1.00 0.00 H ATOM 623 N CYS A 42 5.814 4.574 17.896 1.00 8.02 N ATOM 624 CA CYS A 42 5.851 5.785 17.096 1.00 8.75 C ATOM 625 C CYS A 42 4.782 5.820 15.993 1.00 9.67 C ATOM 626 O CYS A 42 4.594 4.862 15.254 1.00 7.28 O ATOM 627 CB CYS A 42 7.279 5.952 16.546 1.00 11.58 C ATOM 628 SG CYS A 42 7.427 7.408 15.485 1.00 16.71 S ATOM 629 HA CYS A 42 5.601 6.636 17.730 1.00 0.00 H ATOM 630 HB2 CYS A 42 7.540 5.066 15.967 1.00 0.00 H ATOM 631 HB3 CYS A 42 7.970 6.054 17.383 1.00 0.00 H ATOM 632 HG CYS A 42 6.563 7.286 14.416 1.00 0.00 H ATOM 633 H CYS A 42 5.587 3.661 17.452 1.00 0.00 H ATOM 634 N LEU A 43 4.116 6.996 15.910 1.00 8.50 N ATOM 635 CA LEU A 43 3.168 7.336 14.825 1.00 8.14 C ATOM 636 C LEU A 43 3.835 8.154 13.744 1.00 5.39 C ATOM 637 O LEU A 43 4.287 9.273 13.937 1.00 10.04 O ATOM 638 CB LEU A 43 2.015 8.178 15.416 1.00 7.71 C ATOM 639 CG LEU A 43 0.589 8.157 14.818 1.00 13.00 C ATOM 640 CD1 LEU A 43 -0.143 9.461 15.090 1.00 9.85 C ATOM 641 CD2 LEU A 43 0.449 7.760 13.355 1.00 14.29 C ATOM 642 HA LEU A 43 2.803 6.405 14.391 1.00 0.00 H ATOM 643 HB2 LEU A 43 1.914 7.868 16.456 1.00 0.00 H ATOM 644 HB3 LEU A 43 2.346 9.216 15.378 1.00 0.00 H ATOM 645 HG LEU A 43 0.118 7.332 15.352 1.00 0.00 H ATOM 646 HD21 LEU A 43 1.013 8.457 12.735 1.00 0.00 H ATOM 647 HD22 LEU A 43 0.837 6.751 13.215 1.00 0.00 H ATOM 648 HD23 LEU A 43 -0.603 7.789 13.071 1.00 0.00 H ATOM 649 HD11 LEU A 43 -0.220 9.615 16.166 1.00 0.00 H ATOM 650 HD12 LEU A 43 0.410 10.287 14.642 1.00 0.00 H ATOM 651 HD13 LEU A 43 -1.142 9.413 14.656 1.00 0.00 H ATOM 652 H LEU A 43 4.281 7.704 16.654 1.00 0.00 H ATOM 653 N SER A 44 3.952 7.556 12.597 1.00 6.42 N ATOM 654 CA SER A 44 4.673 8.269 11.527 1.00 7.67 C ATOM 655 C SER A 44 3.723 8.623 10.399 1.00 9.59 C ATOM 656 O SER A 44 3.025 7.764 9.871 1.00 10.22 O ATOM 657 CB SER A 44 5.822 7.413 10.934 1.00 5.33 C ATOM 658 OG SER A 44 6.722 6.992 11.986 1.00 6.76 O ATOM 659 HA SER A 44 5.093 9.169 11.976 1.00 0.00 H ATOM 660 HB2 SER A 44 6.373 8.005 10.203 1.00 0.00 H ATOM 661 HB3 SER A 44 5.402 6.534 10.445 1.00 0.00 H ATOM 662 HG SER A 44 7.106 7.790 12.429 1.00 0.00 H ATOM 663 H SER A 44 3.552 6.609 12.439 1.00 0.00 H ATOM 664 N VAL A 45 3.671 9.938 10.134 1.00 9.53 N ATOM 665 CA VAL A 45 2.606 10.524 9.288 1.00 8.16 C ATOM 666 C VAL A 45 3.205 11.313 8.128 1.00 8.91 C ATOM 667 O VAL A 45 4.141 12.083 8.293 1.00 12.65 O ATOM 668 CB VAL A 45 1.667 11.482 10.086 1.00 4.43 C ATOM 669 CG1 VAL A 45 0.454 11.876 9.266 1.00 2.92 C ATOM 670 CG2 VAL A 45 1.181 10.897 11.396 1.00 5.33 C ATOM 671 HA VAL A 45 2.021 9.681 8.919 1.00 0.00 H ATOM 672 HB VAL A 45 2.280 12.356 10.307 1.00 0.00 H ATOM 673 HG11 VAL A 45 0.780 12.386 8.359 1.00 0.00 H ATOM 674 HG12 VAL A 45 -0.109 10.981 8.999 1.00 0.00 H ATOM 675 HG13 VAL A 45 -0.178 12.543 9.852 1.00 0.00 H ATOM 676 HG21 VAL A 45 0.624 9.981 11.199 1.00 0.00 H ATOM 677 HG22 VAL A 45 2.037 10.673 12.032 1.00 0.00 H ATOM 678 HG23 VAL A 45 0.534 11.617 11.896 1.00 0.00 H ATOM 679 H VAL A 45 4.399 10.563 10.534 1.00 0.00 H ATOM 680 N SER A 46 2.651 11.122 6.923 1.00 10.53 N ATOM 681 CA SER A 46 3.085 11.944 5.798 1.00 6.57 C ATOM 682 C SER A 46 2.421 13.324 5.738 1.00 9.81 C ATOM 683 O SER A 46 1.226 13.491 5.947 1.00 9.87 O ATOM 684 CB SER A 46 2.924 11.189 4.481 1.00 8.82 C ATOM 685 OG SER A 46 1.543 11.038 4.160 1.00 13.78 O ATOM 686 HA SER A 46 4.144 12.143 5.964 1.00 0.00 H ATOM 687 HB2 SER A 46 3.381 10.204 4.573 1.00 0.00 H ATOM 688 HB3 SER A 46 3.419 11.745 3.685 1.00 0.00 H ATOM 689 HG SER A 46 1.126 11.932 4.073 1.00 0.00 H ATOM 690 H SER A 46 1.919 10.395 6.791 1.00 0.00 H ATOM 691 N ASP A 47 3.241 14.339 5.459 1.00 8.35 N ATOM 692 CA ASP A 47 2.719 15.685 5.301 1.00 6.67 C ATOM 693 C ASP A 47 3.188 16.332 3.988 1.00 9.77 C ATOM 694 O ASP A 47 3.809 15.697 3.128 1.00 9.39 O ATOM 695 CB ASP A 47 3.091 16.410 6.604 1.00 10.59 C ATOM 696 CG ASP A 47 2.295 17.686 6.920 1.00 13.34 C ATOM 697 OD1 ASP A 47 1.352 18.034 6.216 1.00 13.99 O ATOM 698 OD2 ASP A 47 2.634 18.375 7.884 1.00 13.36 O ATOM 699 HA ASP A 47 1.637 15.726 5.179 1.00 0.00 H ATOM 700 HB2 ASP A 47 2.942 15.712 7.428 1.00 0.00 H ATOM 701 HB3 ASP A 47 4.145 16.681 6.545 1.00 0.00 H ATOM 702 H ASP A 47 4.261 14.165 5.354 1.00 0.00 H ATOM 703 N PHE A 48 2.884 17.633 3.872 1.00 7.60 N ATOM 704 CA PHE A 48 3.333 18.507 2.790 1.00 11.06 C ATOM 705 C PHE A 48 3.300 19.973 3.194 1.00 14.59 C ATOM 706 O PHE A 48 2.328 20.452 3.758 1.00 15.75 O ATOM 707 CB PHE A 48 2.450 18.276 1.574 1.00 10.72 C ATOM 708 CG PHE A 48 2.856 19.162 0.440 1.00 15.47 C ATOM 709 CD1 PHE A 48 2.304 20.460 0.352 1.00 14.96 C ATOM 710 CD2 PHE A 48 3.774 18.683 -0.518 1.00 14.75 C ATOM 711 CE1 PHE A 48 2.714 21.306 -0.691 1.00 12.29 C ATOM 712 CE2 PHE A 48 4.181 19.548 -1.552 1.00 17.10 C ATOM 713 CZ PHE A 48 3.673 20.861 -1.606 1.00 10.00 C ATOM 714 HA PHE A 48 4.369 18.263 2.555 1.00 0.00 H ATOM 715 HB2 PHE A 48 2.537 17.235 1.262 1.00 0.00 H ATOM 716 HB3 PHE A 48 1.414 18.489 1.840 1.00 0.00 H ATOM 717 HD2 PHE A 48 4.160 17.665 -0.459 1.00 0.00 H ATOM 718 HE2 PHE A 48 4.887 19.203 -2.308 1.00 0.00 H ATOM 719 HZ PHE A 48 4.034 21.543 -2.376 1.00 0.00 H ATOM 720 HE1 PHE A 48 2.287 22.304 -0.787 1.00 0.00 H ATOM 721 HD1 PHE A 48 1.570 20.800 1.083 1.00 0.00 H ATOM 722 H PHE A 48 2.282 18.053 4.609 1.00 0.00 H ATOM 723 N ASP A 49 4.381 20.688 2.879 1.00 20.04 N ATOM 724 CA ASP A 49 4.269 22.160 2.812 1.00 22.26 C ATOM 725 C ASP A 49 5.018 22.708 1.611 1.00 22.98 C ATOM 726 O ASP A 49 5.883 22.041 1.067 1.00 21.08 O ATOM 727 CB ASP A 49 4.656 22.918 4.097 1.00 27.40 C ATOM 728 CG ASP A 49 6.075 22.665 4.550 1.00 31.27 C ATOM 729 OD1 ASP A 49 6.376 21.533 4.867 1.00 39.38 O ATOM 730 OD2 ASP A 49 6.903 23.565 4.623 1.00 34.13 O ATOM 731 HA ASP A 49 3.201 22.346 2.698 1.00 0.00 H ATOM 732 HB2 ASP A 49 4.538 23.986 3.915 1.00 0.00 H ATOM 733 HB3 ASP A 49 3.980 22.610 4.895 1.00 0.00 H ATOM 734 H ASP A 49 5.288 20.217 2.684 1.00 0.00 H ATOM 735 N ASN A 50 4.680 23.913 1.137 1.00 26.22 N ATOM 736 CA ASN A 50 5.454 24.265 -0.077 1.00 30.03 C ATOM 737 C ASN A 50 6.910 24.647 0.118 1.00 29.66 C ATOM 738 O ASN A 50 7.662 24.708 -0.838 1.00 30.66 O ATOM 739 CB ASN A 50 4.782 25.197 -1.113 1.00 33.51 C ATOM 740 CG ASN A 50 3.582 25.930 -0.564 1.00 38.17 C ATOM 741 OD1 ASN A 50 2.452 25.802 -1.010 1.00 40.48 O ATOM 742 ND2 ASN A 50 3.856 26.709 0.473 1.00 38.75 N ATOM 743 HA ASN A 50 5.450 23.271 -0.525 1.00 0.00 H ATOM 744 HB2 ASN A 50 5.515 25.932 -1.445 1.00 0.00 H ATOM 745 HB3 ASN A 50 4.462 24.596 -1.964 1.00 0.00 H ATOM 746 HD22 ASN A 50 4.833 26.788 0.820 1.00 0.00 H ATOM 747 HD21 ASN A 50 3.094 27.241 0.940 1.00 0.00 H ATOM 748 H ASN A 50 3.961 24.528 1.568 1.00 0.00 H ATOM 749 N ALA A 51 7.282 24.833 1.396 1.00 28.37 N ATOM 750 CA ALA A 51 8.714 24.986 1.684 1.00 29.66 C ATOM 751 C ALA A 51 9.588 23.721 1.644 1.00 29.49 C ATOM 752 O ALA A 51 10.534 23.570 0.877 1.00 31.58 O ATOM 753 CB ALA A 51 8.876 25.640 3.062 1.00 31.80 C ATOM 754 HA ALA A 51 9.081 25.596 0.859 1.00 0.00 H ATOM 755 HB1 ALA A 51 8.394 26.617 3.058 1.00 0.00 H ATOM 756 HB2 ALA A 51 8.412 25.008 3.819 1.00 0.00 H ATOM 757 HB3 ALA A 51 9.937 25.758 3.284 1.00 0.00 H ATOM 758 H ALA A 51 6.576 24.868 2.159 1.00 0.00 H ATOM 759 N LYS A 52 9.188 22.791 2.524 1.00 28.71 N ATOM 760 CA LYS A 52 9.748 21.427 2.470 1.00 26.18 C ATOM 761 C LYS A 52 9.288 20.453 1.368 1.00 22.62 C ATOM 762 O LYS A 52 9.886 19.404 1.180 1.00 25.21 O ATOM 763 CB LYS A 52 9.547 20.716 3.806 1.00 28.96 C ATOM 764 CG LYS A 52 10.326 21.374 4.936 1.00 38.16 C ATOM 765 CD LYS A 52 10.201 20.624 6.271 1.00 43.86 C ATOM 766 CE LYS A 52 8.763 20.492 6.803 1.00 47.91 C ATOM 767 NZ LYS A 52 8.074 21.796 6.847 1.00 52.59 N ATOM 768 HA LYS A 52 10.785 21.649 2.218 1.00 0.00 H ATOM 769 HB2 LYS A 52 8.486 20.733 4.056 1.00 0.00 H ATOM 770 HB3 LYS A 52 9.879 19.683 3.707 1.00 0.00 H ATOM 771 HG2 LYS A 52 11.379 21.411 4.656 1.00 0.00 H ATOM 772 HG3 LYS A 52 9.951 22.389 5.071 1.00 0.00 H ATOM 773 HD2 LYS A 52 10.607 19.621 6.137 1.00 0.00 H ATOM 774 HD3 LYS A 52 10.791 21.157 7.016 1.00 0.00 H ATOM 775 HE2 LYS A 52 8.796 20.076 7.810 1.00 0.00 H ATOM 776 HE3 LYS A 52 8.205 19.820 6.151 1.00 0.00 H ATOM 777 HZ1 LYS A 52 8.597 22.442 7.473 1.00 0.00 H ATOM 778 HZ2 LYS A 52 8.033 22.198 5.889 1.00 0.00 H ATOM 779 HZ3 LYS A 52 7.109 21.665 7.211 1.00 0.00 H ATOM 780 H LYS A 52 8.480 23.032 3.247 1.00 0.00 H ATOM 781 N GLY A 53 8.188 20.773 0.679 1.00 17.16 N ATOM 782 CA GLY A 53 7.523 19.720 -0.096 1.00 10.13 C ATOM 783 C GLY A 53 6.978 18.573 0.760 1.00 12.13 C ATOM 784 O GLY A 53 6.628 18.713 1.947 1.00 9.70 O ATOM 785 HA3 GLY A 53 8.242 19.309 -0.805 1.00 0.00 H ATOM 786 HA2 GLY A 53 6.692 20.167 -0.641 1.00 0.00 H ATOM 787 H GLY A 53 7.814 21.743 0.692 1.00 0.00 H ATOM 788 N LEU A 54 7.008 17.400 0.098 1.00 11.24 N ATOM 789 CA LEU A 54 6.747 16.106 0.761 1.00 13.61 C ATOM 790 C LEU A 54 7.701 15.808 1.913 1.00 12.73 C ATOM 791 O LEU A 54 8.916 15.830 1.742 1.00 11.55 O ATOM 792 CB LEU A 54 6.913 14.975 -0.255 1.00 16.21 C ATOM 793 CG LEU A 54 5.725 14.218 -0.829 1.00 17.38 C ATOM 794 CD1 LEU A 54 4.476 15.066 -1.045 1.00 22.72 C ATOM 795 CD2 LEU A 54 6.136 13.505 -2.119 1.00 17.79 C ATOM 796 HA LEU A 54 5.734 16.172 1.159 1.00 0.00 H ATOM 797 HB2 LEU A 54 7.439 15.406 -1.107 1.00 0.00 H ATOM 798 HB3 LEU A 54 7.548 14.228 0.222 1.00 0.00 H ATOM 799 HG LEU A 54 5.438 13.487 -0.073 1.00 0.00 H ATOM 800 HD21 LEU A 54 6.479 14.241 -2.846 1.00 0.00 H ATOM 801 HD22 LEU A 54 6.941 12.802 -1.904 1.00 0.00 H ATOM 802 HD23 LEU A 54 5.279 12.966 -2.523 1.00 0.00 H ATOM 803 HD11 LEU A 54 4.154 15.485 -0.092 1.00 0.00 H ATOM 804 HD12 LEU A 54 4.703 15.874 -1.741 1.00 0.00 H ATOM 805 HD13 LEU A 54 3.682 14.443 -1.456 1.00 0.00 H ATOM 806 H LEU A 54 7.223 17.406 -0.919 1.00 0.00 H ATOM 807 N ASN A 55 7.090 15.570 3.094 1.00 13.30 N ATOM 808 CA ASN A 55 7.900 15.343 4.313 1.00 11.99 C ATOM 809 C ASN A 55 7.196 14.483 5.360 1.00 14.82 C ATOM 810 O ASN A 55 5.979 14.354 5.370 1.00 11.65 O ATOM 811 CB ASN A 55 8.392 16.646 4.970 1.00 9.59 C ATOM 812 CG ASN A 55 7.261 17.448 5.573 1.00 10.68 C ATOM 813 OD1 ASN A 55 6.993 17.401 6.761 1.00 11.24 O ATOM 814 ND2 ASN A 55 6.624 18.258 4.740 1.00 10.58 N ATOM 815 HA ASN A 55 8.768 14.793 3.948 1.00 0.00 H ATOM 816 HB2 ASN A 55 9.103 16.395 5.757 1.00 0.00 H ATOM 817 HB3 ASN A 55 8.889 17.254 4.214 1.00 0.00 H ATOM 818 HD22 ASN A 55 6.879 18.272 3.732 1.00 0.00 H ATOM 819 HD21 ASN A 55 5.869 18.880 5.094 1.00 0.00 H ATOM 820 H ASN A 55 6.052 15.546 3.147 1.00 0.00 H ATOM 821 N VAL A 56 7.968 13.896 6.274 1.00 14.72 N ATOM 822 CA VAL A 56 7.212 13.179 7.297 1.00 14.23 C ATOM 823 C VAL A 56 7.394 13.703 8.721 1.00 12.49 C ATOM 824 O VAL A 56 8.467 14.159 9.068 1.00 18.27 O ATOM 825 CB VAL A 56 7.323 11.618 7.135 1.00 14.27 C ATOM 826 CG1 VAL A 56 7.963 11.166 5.834 1.00 11.77 C ATOM 827 CG2 VAL A 56 7.857 10.863 8.326 1.00 10.32 C ATOM 828 HA VAL A 56 6.165 13.413 7.107 1.00 0.00 H ATOM 829 HB VAL A 56 6.273 11.329 7.081 1.00 0.00 H ATOM 830 HG11 VAL A 56 7.373 11.532 4.994 1.00 0.00 H ATOM 831 HG12 VAL A 56 8.975 11.566 5.770 1.00 0.00 H ATOM 832 HG13 VAL A 56 7.999 10.077 5.807 1.00 0.00 H ATOM 833 HG21 VAL A 56 8.862 11.215 8.557 1.00 0.00 H ATOM 834 HG22 VAL A 56 7.206 11.032 9.184 1.00 0.00 H ATOM 835 HG23 VAL A 56 7.887 9.798 8.096 1.00 0.00 H ATOM 836 H VAL A 56 9.007 13.944 6.260 1.00 0.00 H ATOM 837 N LYS A 57 6.314 13.654 9.516 1.00 9.88 N ATOM 838 CA LYS A 57 6.423 13.886 10.970 1.00 5.14 C ATOM 839 C LYS A 57 6.349 12.609 11.825 1.00 7.88 C ATOM 840 O LYS A 57 5.636 11.664 11.517 1.00 5.04 O ATOM 841 CB LYS A 57 5.291 14.815 11.408 1.00 12.15 C ATOM 842 CG LYS A 57 5.022 16.129 10.598 1.00 14.63 C ATOM 843 CD LYS A 57 6.107 17.207 10.674 1.00 21.03 C ATOM 844 CE LYS A 57 5.711 18.545 10.018 1.00 23.36 C ATOM 845 NZ LYS A 57 5.309 18.359 8.609 1.00 25.01 N ATOM 846 HA LYS A 57 7.410 14.320 11.133 1.00 0.00 H ATOM 847 HB2 LYS A 57 4.371 14.231 11.382 1.00 0.00 H ATOM 848 HB3 LYS A 57 5.502 15.112 12.435 1.00 0.00 H ATOM 849 HG2 LYS A 57 4.899 15.854 9.550 1.00 0.00 H ATOM 850 HG3 LYS A 57 4.094 16.564 10.969 1.00 0.00 H ATOM 851 HD2 LYS A 57 6.332 17.393 11.724 1.00 0.00 H ATOM 852 HD3 LYS A 57 6.999 16.831 10.174 1.00 0.00 H ATOM 853 HE2 LYS A 57 6.562 19.225 10.057 1.00 0.00 H ATOM 854 HE3 LYS A 57 4.877 18.978 10.570 1.00 0.00 H ATOM 855 HZ1 LYS A 57 6.103 17.952 8.074 1.00 0.00 H ATOM 856 HZ2 LYS A 57 4.493 17.716 8.565 1.00 0.00 H ATOM 857 HZ3 LYS A 57 5.049 19.279 8.200 1.00 0.00 H ATOM 858 H LYS A 57 5.383 13.449 9.100 1.00 0.00 H ATOM 859 N HIS A 58 7.111 12.599 12.917 1.00 7.22 N ATOM 860 CA HIS A 58 7.087 11.472 13.836 1.00 8.95 C ATOM 861 C HIS A 58 6.691 11.858 15.223 1.00 10.46 C ATOM 862 O HIS A 58 7.261 12.745 15.848 1.00 12.06 O ATOM 863 CB HIS A 58 8.448 10.775 13.984 1.00 9.81 C ATOM 864 CG HIS A 58 9.019 10.308 12.661 1.00 7.37 C ATOM 865 ND1 HIS A 58 8.798 9.091 12.125 1.00 9.21 N ATOM 866 CD2 HIS A 58 9.850 11.033 11.792 1.00 9.96 C ATOM 867 CE1 HIS A 58 9.484 9.034 10.935 1.00 9.51 C ATOM 868 NE2 HIS A 58 10.125 10.231 10.740 1.00 11.28 N ATOM 869 HA HIS A 58 6.354 10.805 13.383 1.00 0.00 H ATOM 870 HB2 HIS A 58 9.150 11.475 14.438 1.00 0.00 H ATOM 871 HB3 HIS A 58 8.327 9.910 14.635 1.00 0.00 H ATOM 872 HD2 HIS A 58 10.207 12.052 11.939 1.00 0.00 H ATOM 873 HE1 HIS A 58 9.514 8.180 10.259 1.00 0.00 H ATOM 874 H HIS A 58 7.732 13.409 13.116 1.00 0.00 H ATOM 875 N TYR A 59 5.701 11.137 15.704 1.00 10.12 N ATOM 876 CA TYR A 59 5.204 11.385 17.048 1.00 9.79 C ATOM 877 C TYR A 59 5.479 10.198 17.945 1.00 12.14 C ATOM 878 O TYR A 59 5.005 9.104 17.681 1.00 10.78 O ATOM 879 CB TYR A 59 3.667 11.603 17.074 1.00 8.47 C ATOM 880 CG TYR A 59 3.260 12.779 16.209 1.00 8.28 C ATOM 881 CD1 TYR A 59 3.015 12.535 14.854 1.00 5.54 C ATOM 882 CD2 TYR A 59 3.173 14.081 16.763 1.00 6.84 C ATOM 883 CE1 TYR A 59 2.718 13.605 14.009 1.00 7.50 C ATOM 884 CE2 TYR A 59 2.887 15.161 15.909 1.00 6.99 C ATOM 885 CZ TYR A 59 2.698 14.910 14.539 1.00 8.06 C ATOM 886 OH TYR A 59 2.505 15.957 13.672 1.00 4.45 O ATOM 887 HA TYR A 59 5.718 12.282 17.394 1.00 0.00 H ATOM 888 HB3 TYR A 59 3.353 11.792 18.100 1.00 0.00 H ATOM 889 HB2 TYR A 59 3.175 10.703 16.704 1.00 0.00 H ATOM 890 HD2 TYR A 59 3.325 14.242 17.830 1.00 0.00 H ATOM 891 HE2 TYR A 59 2.813 16.175 16.302 1.00 0.00 H ATOM 892 HE1 TYR A 59 2.505 13.433 12.954 1.00 0.00 H ATOM 893 HD1 TYR A 59 3.056 11.519 14.462 1.00 0.00 H ATOM 894 HH TYR A 59 3.292 16.557 13.701 1.00 0.00 H ATOM 895 H TYR A 59 5.273 10.389 15.122 1.00 0.00 H ATOM 896 N LYS A 60 6.251 10.434 19.026 1.00 11.05 N ATOM 897 CA LYS A 60 6.403 9.386 20.038 1.00 9.92 C ATOM 898 C LYS A 60 5.118 9.084 20.801 1.00 11.16 C ATOM 899 O LYS A 60 4.423 9.962 21.305 1.00 9.89 O ATOM 900 CB LYS A 60 7.479 9.808 21.047 1.00 11.77 C ATOM 901 CG LYS A 60 8.228 8.610 21.634 1.00 20.11 C ATOM 902 CD LYS A 60 9.366 8.897 22.630 1.00 23.25 C ATOM 903 CE LYS A 60 10.559 9.657 22.075 1.00 24.56 C ATOM 904 NZ LYS A 60 11.705 9.543 22.995 1.00 29.65 N ATOM 905 HA LYS A 60 6.684 8.479 19.503 1.00 0.00 H ATOM 906 HB2 LYS A 60 8.196 10.457 20.544 1.00 0.00 H ATOM 907 HB3 LYS A 60 7.002 10.356 21.860 1.00 0.00 H ATOM 908 HG2 LYS A 60 7.495 7.987 22.147 1.00 0.00 H ATOM 909 HG3 LYS A 60 8.657 8.053 20.801 1.00 0.00 H ATOM 910 HD2 LYS A 60 8.951 9.480 23.452 1.00 0.00 H ATOM 911 HD3 LYS A 60 9.726 7.941 23.010 1.00 0.00 H ATOM 912 HE2 LYS A 60 10.294 10.708 21.957 1.00 0.00 H ATOM 913 HE3 LYS A 60 10.832 9.241 21.105 1.00 0.00 H ATOM 914 HZ1 LYS A 60 11.446 9.941 23.920 1.00 0.00 H ATOM 915 HZ2 LYS A 60 11.960 8.541 23.107 1.00 0.00 H ATOM 916 HZ3 LYS A 60 12.515 10.067 22.605 1.00 0.00 H ATOM 917 H LYS A 60 6.732 11.349 19.139 1.00 0.00 H ATOM 918 N ILE A 61 4.845 7.794 20.887 1.00 10.59 N ATOM 919 CA ILE A 61 3.720 7.331 21.719 1.00 10.45 C ATOM 920 C ILE A 61 4.278 6.700 23.004 1.00 12.82 C ATOM 921 O ILE A 61 4.940 5.673 23.006 1.00 13.41 O ATOM 922 CB ILE A 61 2.835 6.335 20.939 1.00 7.93 C ATOM 923 CG1 ILE A 61 2.286 6.895 19.614 1.00 8.61 C ATOM 924 CG2 ILE A 61 1.700 5.775 21.812 1.00 10.58 C ATOM 925 CD1 ILE A 61 1.829 5.826 18.575 1.00 3.58 C ATOM 926 HA ILE A 61 3.088 8.178 21.986 1.00 0.00 H ATOM 927 HB ILE A 61 3.499 5.514 20.668 1.00 0.00 H ATOM 928 HG12 ILE A 61 1.429 7.528 19.845 1.00 0.00 H ATOM 929 HG13 ILE A 61 3.068 7.499 19.154 1.00 0.00 H ATOM 930 HD11 ILE A 61 2.675 5.189 18.315 1.00 0.00 H ATOM 931 HD12 ILE A 61 1.034 5.218 19.007 1.00 0.00 H ATOM 932 HD13 ILE A 61 1.460 6.326 17.679 1.00 0.00 H ATOM 933 HG21 ILE A 61 2.126 5.256 22.670 1.00 0.00 H ATOM 934 HG22 ILE A 61 1.071 6.595 22.158 1.00 0.00 H ATOM 935 HG23 ILE A 61 1.101 5.079 21.225 1.00 0.00 H ATOM 936 H ILE A 61 5.425 7.105 20.367 1.00 0.00 H ATOM 937 N ARG A 62 4.041 7.407 24.104 1.00 16.34 N ATOM 938 CA ARG A 62 4.432 6.796 25.368 1.00 20.43 C ATOM 939 C ARG A 62 3.333 5.957 25.980 1.00 20.57 C ATOM 940 O ARG A 62 2.153 6.167 25.751 1.00 19.19 O ATOM 941 CB ARG A 62 4.830 7.835 26.398 1.00 24.88 C ATOM 942 CG ARG A 62 6.292 8.261 26.287 1.00 30.76 C ATOM 943 CD ARG A 62 6.534 9.388 25.301 1.00 38.43 C ATOM 944 NE ARG A 62 5.931 10.638 25.766 1.00 47.46 N ATOM 945 CZ ARG A 62 5.073 11.285 24.982 1.00 52.67 C ATOM 946 NH1 ARG A 62 4.694 10.754 23.853 1.00 52.03 N ATOM 947 NH2 ARG A 62 4.588 12.454 25.326 1.00 56.59 N ATOM 948 HA ARG A 62 5.280 6.159 25.117 1.00 0.00 H ATOM 949 HB2 ARG A 62 4.201 8.715 26.264 1.00 0.00 H ATOM 950 HB3 ARG A 62 4.664 7.419 27.392 1.00 0.00 H ATOM 951 HG2 ARG A 62 6.630 8.588 27.271 1.00 0.00 H ATOM 952 HG3 ARG A 62 6.878 7.398 25.971 1.00 0.00 H ATOM 953 HD2 ARG A 62 6.098 9.119 24.339 1.00 0.00 H ATOM 954 HD3 ARG A 62 7.608 9.533 25.183 1.00 0.00 H ATOM 955 HE ARG A 62 6.172 11.018 26.704 1.00 0.00 H ATOM 956 HH12 ARG A 62 4.023 11.260 23.240 1.00 0.00 H ATOM 957 HH11 ARG A 62 5.063 9.825 23.566 1.00 0.00 H ATOM 958 HH22 ARG A 62 3.918 12.944 24.699 1.00 0.00 H ATOM 959 HH21 ARG A 62 4.873 12.891 26.226 1.00 0.00 H ATOM 960 H ARG A 62 3.599 8.348 24.065 1.00 0.00 H ATOM 961 N LYS A 63 3.768 5.014 26.787 1.00 23.93 N ATOM 962 CA LYS A 63 2.807 4.230 27.561 1.00 25.48 C ATOM 963 C LYS A 63 3.028 4.315 29.068 1.00 28.00 C ATOM 964 O LYS A 63 4.046 3.912 29.622 1.00 30.74 O ATOM 965 CB LYS A 63 2.886 2.770 27.158 1.00 24.75 C ATOM 966 CG LYS A 63 1.712 2.060 27.786 1.00 30.68 C ATOM 967 CD LYS A 63 1.936 0.570 27.818 1.00 36.34 C ATOM 968 CE LYS A 63 0.739 -0.162 28.427 1.00 41.81 C ATOM 969 NZ LYS A 63 1.087 -1.590 28.567 1.00 46.11 N ATOM 970 HA LYS A 63 1.828 4.655 27.340 1.00 0.00 H ATOM 971 HB2 LYS A 63 2.838 2.680 26.073 1.00 0.00 H ATOM 972 HB3 LYS A 63 3.819 2.335 27.516 1.00 0.00 H ATOM 973 HG2 LYS A 63 1.579 2.423 28.805 1.00 0.00 H ATOM 974 HG3 LYS A 63 0.814 2.273 27.206 1.00 0.00 H ATOM 975 HD2 LYS A 63 2.090 0.212 26.800 1.00 0.00 H ATOM 976 HD3 LYS A 63 2.823 0.357 28.415 1.00 0.00 H ATOM 977 HE2 LYS A 63 -0.128 -0.056 27.775 1.00 0.00 H ATOM 978 HE3 LYS A 63 0.509 0.259 29.406 1.00 0.00 H ATOM 979 HZ1 LYS A 63 1.307 -1.985 27.631 1.00 0.00 H ATOM 980 HZ2 LYS A 63 1.916 -1.684 29.188 1.00 0.00 H ATOM 981 HZ3 LYS A 63 0.282 -2.103 28.980 1.00 0.00 H ATOM 982 H LYS A 63 4.787 4.828 26.874 1.00 0.00 H ATOM 983 N LEU A 64 2.034 4.811 29.771 1.00 30.19 N ATOM 984 CA LEU A 64 2.252 4.514 31.189 1.00 35.16 C ATOM 985 C LEU A 64 2.129 3.015 31.555 1.00 38.13 C ATOM 986 O LEU A 64 1.231 2.262 31.172 1.00 37.46 O ATOM 987 CB LEU A 64 1.435 5.420 32.134 1.00 36.04 C ATOM 988 CG LEU A 64 1.334 6.913 31.754 1.00 36.24 C ATOM 989 CD1 LEU A 64 0.147 7.195 30.829 1.00 36.39 C ATOM 990 CD2 LEU A 64 1.192 7.823 32.973 1.00 37.57 C ATOM 991 HA LEU A 64 3.301 4.761 31.354 1.00 0.00 H ATOM 992 HB2 LEU A 64 0.421 5.022 32.178 1.00 0.00 H ATOM 993 HB3 LEU A 64 1.890 5.361 33.123 1.00 0.00 H ATOM 994 HG LEU A 64 2.271 7.131 31.241 1.00 0.00 H ATOM 995 HD21 LEU A 64 0.289 7.555 33.521 1.00 0.00 H ATOM 996 HD22 LEU A 64 2.061 7.700 33.620 1.00 0.00 H ATOM 997 HD23 LEU A 64 1.125 8.860 32.645 1.00 0.00 H ATOM 998 HD11 LEU A 64 0.258 6.618 29.911 1.00 0.00 H ATOM 999 HD12 LEU A 64 -0.778 6.909 31.330 1.00 0.00 H ATOM 1000 HD13 LEU A 64 0.119 8.258 30.590 1.00 0.00 H ATOM 1001 H LEU A 64 1.222 5.332 29.382 1.00 0.00 H ATOM 1002 N ASP A 65 3.128 2.595 32.318 1.00 41.21 N ATOM 1003 CA ASP A 65 3.137 1.319 33.068 1.00 44.28 C ATOM 1004 C ASP A 65 1.783 0.755 33.605 1.00 41.53 C ATOM 1005 O ASP A 65 1.287 -0.333 33.285 1.00 39.88 O ATOM 1006 CB ASP A 65 4.191 1.517 34.189 1.00 50.79 C ATOM 1007 CG ASP A 65 3.937 2.850 34.911 1.00 56.18 C ATOM 1008 OD1 ASP A 65 4.324 3.903 34.399 1.00 59.44 O ATOM 1009 OD2 ASP A 65 3.296 2.837 35.959 1.00 59.22 O ATOM 1010 HA ASP A 65 3.381 0.526 32.362 1.00 0.00 H ATOM 1011 HB2 ASP A 65 4.118 0.698 34.904 1.00 0.00 H ATOM 1012 HB3 ASP A 65 5.189 1.527 33.751 1.00 0.00 H ATOM 1013 H ASP A 65 3.966 3.206 32.395 1.00 0.00 H ATOM 1014 N SER A 66 1.232 1.638 34.426 1.00 38.31 N ATOM 1015 CA SER A 66 -0.037 1.699 35.140 1.00 37.11 C ATOM 1016 C SER A 66 -1.258 2.017 34.300 1.00 35.97 C ATOM 1017 O SER A 66 -2.405 1.934 34.737 1.00 35.43 O ATOM 1018 CB SER A 66 0.136 2.876 36.080 1.00 39.52 C ATOM 1019 OG SER A 66 0.758 3.950 35.325 1.00 39.08 O ATOM 1020 HA SER A 66 -0.223 0.719 35.580 1.00 0.00 H ATOM 1021 HB2 SER A 66 0.773 2.593 36.918 1.00 0.00 H ATOM 1022 HB3 SER A 66 -0.835 3.199 36.456 1.00 0.00 H ATOM 1023 HG SER A 66 1.637 3.647 34.984 1.00 0.00 H ATOM 1024 H SER A 66 1.836 2.467 34.598 1.00 0.00 H ATOM 1025 N GLY A 67 -0.980 2.457 33.069 1.00 34.37 N ATOM 1026 CA GLY A 67 -2.114 3.024 32.332 1.00 30.60 C ATOM 1027 C GLY A 67 -2.113 3.035 30.802 1.00 27.65 C ATOM 1028 O GLY A 67 -1.729 2.104 30.093 1.00 27.52 O ATOM 1029 HA3 GLY A 67 -2.209 4.061 32.653 1.00 0.00 H ATOM 1030 HA2 GLY A 67 -2.999 2.467 32.641 1.00 0.00 H ATOM 1031 H GLY A 67 -0.025 2.401 32.662 1.00 0.00 H ATOM 1032 N GLY A 68 -2.623 4.185 30.343 1.00 25.50 N ATOM 1033 CA GLY A 68 -2.790 4.331 28.900 1.00 23.70 C ATOM 1034 C GLY A 68 -1.637 4.898 28.040 1.00 22.10 C ATOM 1035 O GLY A 68 -0.615 5.401 28.494 1.00 23.28 O ATOM 1036 HA3 GLY A 68 -3.648 4.986 28.747 1.00 0.00 H ATOM 1037 HA2 GLY A 68 -3.017 3.340 28.508 1.00 0.00 H ATOM 1038 H GLY A 68 -2.892 4.950 30.994 1.00 0.00 H ATOM 1039 N PHE A 69 -1.888 4.764 26.732 1.00 19.09 N ATOM 1040 CA PHE A 69 -1.024 5.290 25.681 1.00 16.75 C ATOM 1041 C PHE A 69 -1.269 6.773 25.358 1.00 16.99 C ATOM 1042 O PHE A 69 -2.397 7.252 25.331 1.00 18.37 O ATOM 1043 CB PHE A 69 -1.270 4.481 24.412 1.00 15.91 C ATOM 1044 CG PHE A 69 -0.928 3.030 24.601 1.00 15.98 C ATOM 1045 CD1 PHE A 69 -1.873 2.161 25.204 1.00 14.80 C ATOM 1046 CD2 PHE A 69 0.321 2.559 24.132 1.00 16.38 C ATOM 1047 CE1 PHE A 69 -1.609 0.781 25.262 1.00 13.91 C ATOM 1048 CE2 PHE A 69 0.583 1.168 24.179 1.00 17.26 C ATOM 1049 CZ PHE A 69 -0.407 0.301 24.704 1.00 16.58 C ATOM 1050 HA PHE A 69 0.001 5.207 26.042 1.00 0.00 H ATOM 1051 HB2 PHE A 69 -2.322 4.563 24.139 1.00 0.00 H ATOM 1052 HB3 PHE A 69 -0.655 4.887 23.609 1.00 0.00 H ATOM 1053 HD2 PHE A 69 1.066 3.252 23.742 1.00 0.00 H ATOM 1054 HE2 PHE A 69 1.531 0.771 23.817 1.00 0.00 H ATOM 1055 HZ PHE A 69 -0.233 -0.775 24.675 1.00 0.00 H ATOM 1056 HE1 PHE A 69 -2.318 0.097 25.728 1.00 0.00 H ATOM 1057 HD1 PHE A 69 -2.798 2.560 25.620 1.00 0.00 H ATOM 1058 H PHE A 69 -2.749 4.255 26.448 1.00 0.00 H ATOM 1059 N TYR A 70 -0.185 7.505 25.081 1.00 16.01 N ATOM 1060 CA TYR A 70 -0.420 8.909 24.706 1.00 13.17 C ATOM 1061 C TYR A 70 0.671 9.519 23.839 1.00 11.78 C ATOM 1062 O TYR A 70 1.830 9.136 23.913 1.00 10.72 O ATOM 1063 CB TYR A 70 -0.777 9.817 25.916 1.00 10.62 C ATOM 1064 CG TYR A 70 0.389 10.034 26.848 1.00 15.25 C ATOM 1065 CD1 TYR A 70 1.294 11.086 26.598 1.00 19.10 C ATOM 1066 CD2 TYR A 70 0.575 9.151 27.925 1.00 20.02 C ATOM 1067 CE1 TYR A 70 2.459 11.209 27.372 1.00 17.04 C ATOM 1068 CE2 TYR A 70 1.748 9.252 28.690 1.00 20.41 C ATOM 1069 CZ TYR A 70 2.674 10.259 28.372 1.00 17.68 C ATOM 1070 OH TYR A 70 3.855 10.314 29.054 1.00 23.35 O ATOM 1071 HA TYR A 70 -1.306 8.866 24.072 1.00 0.00 H ATOM 1072 HB3 TYR A 70 -1.588 9.350 26.475 1.00 0.00 H ATOM 1073 HB2 TYR A 70 -1.107 10.785 25.540 1.00 0.00 H ATOM 1074 HD2 TYR A 70 -0.179 8.400 28.163 1.00 0.00 H ATOM 1075 HE2 TYR A 70 1.936 8.563 29.514 1.00 0.00 H ATOM 1076 HE1 TYR A 70 3.170 12.017 27.198 1.00 0.00 H ATOM 1077 HD1 TYR A 70 1.089 11.804 25.804 1.00 0.00 H ATOM 1078 HH TYR A 70 4.394 11.072 28.717 1.00 0.00 H ATOM 1079 H TYR A 70 0.773 7.104 25.128 1.00 0.00 H ATOM 1080 N ILE A 71 0.254 10.525 23.060 1.00 10.23 N ATOM 1081 CA ILE A 71 1.166 11.490 22.459 1.00 9.76 C ATOM 1082 C ILE A 71 1.285 12.757 23.316 1.00 15.09 C ATOM 1083 O ILE A 71 2.337 13.122 23.821 1.00 17.84 O ATOM 1084 CB ILE A 71 0.685 11.784 21.028 1.00 7.90 C ATOM 1085 CG1 ILE A 71 0.689 10.522 20.160 1.00 7.29 C ATOM 1086 CG2 ILE A 71 1.560 12.842 20.359 1.00 10.59 C ATOM 1087 CD1 ILE A 71 0.147 10.794 18.735 1.00 8.28 C ATOM 1088 HA ILE A 71 2.173 11.075 22.412 1.00 0.00 H ATOM 1089 HB ILE A 71 -0.336 12.155 21.113 1.00 0.00 H ATOM 1090 HG12 ILE A 71 1.711 10.151 20.083 1.00 0.00 H ATOM 1091 HG13 ILE A 71 0.064 9.766 20.636 1.00 0.00 H ATOM 1092 HD11 ILE A 71 -0.878 11.158 18.801 1.00 0.00 H ATOM 1093 HD12 ILE A 71 0.770 11.544 18.248 1.00 0.00 H ATOM 1094 HD13 ILE A 71 0.169 9.870 18.157 1.00 0.00 H ATOM 1095 HG21 ILE A 71 1.518 13.765 20.937 1.00 0.00 H ATOM 1096 HG22 ILE A 71 2.589 12.486 20.315 1.00 0.00 H ATOM 1097 HG23 ILE A 71 1.195 13.028 19.349 1.00 0.00 H ATOM 1098 H ILE A 71 -0.765 10.622 22.876 1.00 0.00 H ATOM 1099 N THR A 72 0.146 13.394 23.555 1.00 16.59 N ATOM 1100 CA THR A 72 0.059 14.389 24.649 1.00 18.71 C ATOM 1101 C THR A 72 -0.510 13.792 25.913 1.00 19.34 C ATOM 1102 O THR A 72 -1.555 13.166 25.901 1.00 18.06 O ATOM 1103 CB THR A 72 -0.880 15.591 24.368 1.00 19.58 C ATOM 1104 OG1 THR A 72 -1.090 15.804 22.966 1.00 26.66 O ATOM 1105 CG2 THR A 72 -0.357 16.862 25.041 1.00 19.79 C ATOM 1106 HA THR A 72 1.095 14.717 24.741 1.00 0.00 H ATOM 1107 HB THR A 72 -1.850 15.344 24.800 1.00 0.00 H ATOM 1108 HG1 THR A 72 -1.693 16.578 22.838 1.00 0.00 H ATOM 1109 HG23 THR A 72 -0.206 16.673 26.104 1.00 0.00 H ATOM 1110 HG21 THR A 72 0.590 17.150 24.584 1.00 0.00 H ATOM 1111 HG22 THR A 72 -1.083 17.665 24.913 1.00 0.00 H ATOM 1112 H THR A 72 -0.691 13.194 22.971 1.00 0.00 H ATOM 1113 N SER A 73 0.165 14.023 27.041 1.00 20.40 N ATOM 1114 CA SER A 73 -0.322 13.398 28.291 1.00 20.88 C ATOM 1115 C SER A 73 -1.692 13.738 28.881 1.00 23.71 C ATOM 1116 O SER A 73 -2.188 13.034 29.744 1.00 23.47 O ATOM 1117 CB SER A 73 0.679 13.541 29.431 1.00 22.02 C ATOM 1118 OG SER A 73 1.082 14.919 29.568 1.00 26.75 O ATOM 1119 HA SER A 73 -0.446 12.390 27.896 1.00 0.00 H ATOM 1120 HB2 SER A 73 1.555 12.928 29.220 1.00 0.00 H ATOM 1121 HB3 SER A 73 0.218 13.206 30.360 1.00 0.00 H ATOM 1122 HG SER A 73 1.732 14.999 30.311 1.00 0.00 H ATOM 1123 H SER A 73 1.012 14.627 27.042 1.00 0.00 H ATOM 1124 N ARG A 74 -2.333 14.833 28.415 1.00 26.81 N ATOM 1125 CA ARG A 74 -3.728 14.999 28.897 1.00 27.89 C ATOM 1126 C ARG A 74 -4.793 14.215 28.084 1.00 25.99 C ATOM 1127 O ARG A 74 -5.950 14.085 28.463 1.00 26.45 O ATOM 1128 CB ARG A 74 -4.057 16.505 29.137 1.00 30.77 C ATOM 1129 CG ARG A 74 -5.210 16.999 30.098 1.00 40.35 C ATOM 1130 CD ARG A 74 -5.171 16.953 31.669 1.00 43.04 C ATOM 1131 NE ARG A 74 -6.146 17.924 32.251 1.00 47.14 N ATOM 1132 CZ ARG A 74 -6.303 18.288 33.554 1.00 45.04 C ATOM 1133 NH1 ARG A 74 -5.590 17.759 34.510 1.00 45.30 N ATOM 1134 NH2 ARG A 74 -7.185 19.206 33.895 1.00 43.31 N ATOM 1135 HA ARG A 74 -3.787 14.511 29.870 1.00 0.00 H ATOM 1136 HB2 ARG A 74 -3.139 16.955 29.515 1.00 0.00 H ATOM 1137 HB3 ARG A 74 -4.287 16.921 28.156 1.00 0.00 H ATOM 1138 HG2 ARG A 74 -5.368 18.047 29.844 1.00 0.00 H ATOM 1139 HG3 ARG A 74 -6.090 16.421 29.814 1.00 0.00 H ATOM 1140 HD2 ARG A 74 -4.167 17.206 32.010 1.00 0.00 H ATOM 1141 HD3 ARG A 74 -5.424 15.947 32.004 1.00 0.00 H ATOM 1142 HE ARG A 74 -6.788 18.381 31.573 1.00 0.00 H ATOM 1143 HH12 ARG A 74 -5.736 18.060 35.495 1.00 0.00 H ATOM 1144 HH11 ARG A 74 -4.876 17.036 34.287 1.00 0.00 H ATOM 1145 HH22 ARG A 74 -7.296 19.475 34.893 1.00 0.00 H ATOM 1146 HH21 ARG A 74 -7.770 19.661 33.166 1.00 0.00 H ATOM 1147 H ARG A 74 -1.882 15.510 27.766 1.00 0.00 H ATOM 1148 N THR A 75 -4.298 13.637 26.971 1.00 24.46 N ATOM 1149 CA THR A 75 -5.138 12.808 26.091 1.00 22.49 C ATOM 1150 C THR A 75 -4.627 11.384 25.870 1.00 21.25 C ATOM 1151 O THR A 75 -3.779 11.080 25.047 1.00 20.57 O ATOM 1152 CB THR A 75 -5.360 13.544 24.775 1.00 23.24 C ATOM 1153 OG1 THR A 75 -5.659 14.916 25.110 1.00 23.57 O ATOM 1154 CG2 THR A 75 -6.472 12.936 23.907 1.00 22.64 C ATOM 1155 HA THR A 75 -6.089 12.664 26.605 1.00 0.00 H ATOM 1156 HB THR A 75 -4.459 13.462 24.167 1.00 0.00 H ATOM 1157 HG1 THR A 75 -5.811 15.432 24.279 1.00 0.00 H ATOM 1158 HG23 THR A 75 -6.221 11.902 23.669 1.00 0.00 H ATOM 1159 HG21 THR A 75 -7.415 12.966 24.453 1.00 0.00 H ATOM 1160 HG22 THR A 75 -6.566 13.510 22.985 1.00 0.00 H ATOM 1161 H THR A 75 -3.297 13.780 26.728 1.00 0.00 H ATOM 1162 N GLN A 76 -5.171 10.517 26.708 1.00 19.50 N ATOM 1163 CA GLN A 76 -4.752 9.116 26.742 1.00 19.79 C ATOM 1164 C GLN A 76 -5.732 8.100 26.160 1.00 18.61 C ATOM 1165 O GLN A 76 -6.925 8.322 26.049 1.00 19.17 O ATOM 1166 CB GLN A 76 -4.444 8.721 28.190 1.00 17.48 C ATOM 1167 CG GLN A 76 -3.464 9.704 28.819 1.00 22.42 C ATOM 1168 CD GLN A 76 -3.159 9.285 30.227 1.00 25.53 C ATOM 1169 OE1 GLN A 76 -3.352 8.156 30.663 1.00 29.75 O ATOM 1170 NE2 GLN A 76 -2.655 10.257 30.962 1.00 25.51 N ATOM 1171 HA GLN A 76 -3.878 9.074 26.092 1.00 0.00 H ATOM 1172 HB2 GLN A 76 -5.370 8.720 28.766 1.00 0.00 H ATOM 1173 HB3 GLN A 76 -4.008 7.722 28.204 1.00 0.00 H ATOM 1174 HG2 GLN A 76 -2.542 9.719 28.238 1.00 0.00 H ATOM 1175 HG3 GLN A 76 -3.904 10.701 28.825 1.00 0.00 H ATOM 1176 HE22 GLN A 76 -2.509 11.200 30.548 1.00 0.00 H ATOM 1177 HE21 GLN A 76 -2.404 10.081 31.956 1.00 0.00 H ATOM 1178 H GLN A 76 -5.915 10.840 27.359 1.00 0.00 H ATOM 1179 N PHE A 77 -5.173 6.940 25.812 1.00 19.06 N ATOM 1180 CA PHE A 77 -5.990 5.860 25.261 1.00 17.52 C ATOM 1181 C PHE A 77 -5.730 4.509 25.875 1.00 18.83 C ATOM 1182 O PHE A 77 -4.645 4.134 26.284 1.00 17.79 O ATOM 1183 CB PHE A 77 -5.803 5.707 23.752 1.00 15.91 C ATOM 1184 CG PHE A 77 -5.996 7.069 23.149 1.00 14.94 C ATOM 1185 CD1 PHE A 77 -7.286 7.481 22.806 1.00 11.77 C ATOM 1186 CD2 PHE A 77 -4.867 7.902 22.970 1.00 15.96 C ATOM 1187 CE1 PHE A 77 -7.458 8.774 22.275 1.00 14.00 C ATOM 1188 CE2 PHE A 77 -5.037 9.197 22.456 1.00 15.72 C ATOM 1189 CZ PHE A 77 -6.335 9.617 22.110 1.00 15.12 C ATOM 1190 HA PHE A 77 -7.007 6.168 25.503 1.00 0.00 H ATOM 1191 HB2 PHE A 77 -4.801 5.338 23.533 1.00 0.00 H ATOM 1192 HB3 PHE A 77 -6.540 5.011 23.351 1.00 0.00 H ATOM 1193 HD2 PHE A 77 -3.872 7.541 23.229 1.00 0.00 H ATOM 1194 HE2 PHE A 77 -4.183 9.862 22.328 1.00 0.00 H ATOM 1195 HZ PHE A 77 -6.478 10.618 21.704 1.00 0.00 H ATOM 1196 HE1 PHE A 77 -8.451 9.123 21.993 1.00 0.00 H ATOM 1197 HD1 PHE A 77 -8.139 6.817 22.946 1.00 0.00 H ATOM 1198 H PHE A 77 -4.149 6.803 25.933 1.00 0.00 H ATOM 1199 N SER A 78 -6.790 3.718 25.915 1.00 20.04 N ATOM 1200 CA SER A 78 -6.502 2.403 26.507 1.00 20.73 C ATOM 1201 C SER A 78 -5.836 1.377 25.596 1.00 18.29 C ATOM 1202 O SER A 78 -5.522 0.261 25.986 1.00 22.53 O ATOM 1203 CB SER A 78 -7.783 1.793 27.100 1.00 24.83 C ATOM 1204 OG SER A 78 -8.705 1.489 26.043 1.00 29.93 O ATOM 1205 HA SER A 78 -5.761 2.622 27.276 1.00 0.00 H ATOM 1206 HB2 SER A 78 -8.240 2.505 27.787 1.00 0.00 H ATOM 1207 HB3 SER A 78 -7.534 0.879 27.639 1.00 0.00 H ATOM 1208 HG SER A 78 -8.931 2.320 25.555 1.00 0.00 H ATOM 1209 H SER A 78 -7.729 3.997 25.564 1.00 0.00 H ATOM 1210 N SER A 79 -5.646 1.804 24.353 1.00 13.52 N ATOM 1211 CA SER A 79 -4.958 0.994 23.360 1.00 12.77 C ATOM 1212 C SER A 79 -4.502 1.805 22.142 1.00 13.92 C ATOM 1213 O SER A 79 -4.952 2.926 21.933 1.00 13.98 O ATOM 1214 CB SER A 79 -5.877 -0.113 22.860 1.00 12.95 C ATOM 1215 OG SER A 79 -6.943 0.405 22.042 1.00 13.20 O ATOM 1216 HA SER A 79 -4.077 0.588 23.858 1.00 0.00 H ATOM 1217 HB2 SER A 79 -6.309 -0.628 23.718 1.00 0.00 H ATOM 1218 HB3 SER A 79 -5.291 -0.819 22.271 1.00 0.00 H ATOM 1219 HG SER A 79 -7.517 -0.342 21.737 1.00 0.00 H ATOM 1220 H SER A 79 -5.999 2.744 24.082 1.00 0.00 H ATOM 1221 N LEU A 80 -3.629 1.192 21.307 1.00 14.95 N ATOM 1222 CA LEU A 80 -3.231 1.760 19.997 1.00 14.13 C ATOM 1223 C LEU A 80 -4.326 1.908 18.931 1.00 16.15 C ATOM 1224 O LEU A 80 -4.433 2.924 18.260 1.00 13.14 O ATOM 1225 CB LEU A 80 -2.079 0.983 19.331 1.00 15.16 C ATOM 1226 CG LEU A 80 -0.603 1.259 19.662 1.00 15.60 C ATOM 1227 CD1 LEU A 80 -0.329 2.508 20.519 1.00 18.18 C ATOM 1228 CD2 LEU A 80 0.134 -0.017 20.043 1.00 11.41 C ATOM 1229 HA LEU A 80 -2.934 2.763 20.305 1.00 0.00 H ATOM 1230 HB2 LEU A 80 -2.250 -0.069 19.559 1.00 0.00 H ATOM 1231 HB3 LEU A 80 -2.185 1.143 18.258 1.00 0.00 H ATOM 1232 HG LEU A 80 -0.135 1.583 18.732 1.00 0.00 H ATOM 1233 HD21 LEU A 80 -0.339 -0.460 20.919 1.00 0.00 H ATOM 1234 HD22 LEU A 80 0.093 -0.721 19.212 1.00 0.00 H ATOM 1235 HD23 LEU A 80 1.174 0.219 20.270 1.00 0.00 H ATOM 1236 HD11 LEU A 80 -0.695 3.392 19.997 1.00 0.00 H ATOM 1237 HD12 LEU A 80 -0.843 2.411 21.475 1.00 0.00 H ATOM 1238 HD13 LEU A 80 0.744 2.602 20.689 1.00 0.00 H ATOM 1239 H LEU A 80 -3.219 0.282 21.598 1.00 0.00 H ATOM 1240 N GLN A 81 -5.195 0.883 18.802 1.00 17.72 N ATOM 1241 CA GLN A 81 -6.362 1.154 17.940 1.00 17.65 C ATOM 1242 C GLN A 81 -7.254 2.314 18.373 1.00 14.18 C ATOM 1243 O GLN A 81 -7.713 3.066 17.537 1.00 13.65 O ATOM 1244 CB GLN A 81 -7.241 -0.083 17.655 1.00 24.05 C ATOM 1245 CG GLN A 81 -8.522 0.177 16.793 1.00 32.57 C ATOM 1246 CD GLN A 81 -8.275 0.727 15.356 1.00 37.32 C ATOM 1247 OE1 GLN A 81 -8.004 0.018 14.397 1.00 41.24 O ATOM 1248 NE2 GLN A 81 -8.420 2.032 15.181 1.00 35.97 N ATOM 1249 HA GLN A 81 -5.871 1.458 17.016 1.00 0.00 H ATOM 1250 HB2 GLN A 81 -6.628 -0.816 17.131 1.00 0.00 H ATOM 1251 HB3 GLN A 81 -7.560 -0.495 18.612 1.00 0.00 H ATOM 1252 HG2 GLN A 81 -9.061 -0.766 16.702 1.00 0.00 H ATOM 1253 HG3 GLN A 81 -9.142 0.898 17.325 1.00 0.00 H ATOM 1254 HE22 GLN A 81 -8.650 2.643 15.991 1.00 0.00 H ATOM 1255 HE21 GLN A 81 -8.303 2.446 14.234 1.00 0.00 H ATOM 1256 H GLN A 81 -5.052 -0.032 19.276 1.00 0.00 H ATOM 1257 N GLN A 82 -7.451 2.498 19.693 1.00 11.82 N ATOM 1258 CA GLN A 82 -8.146 3.734 20.107 1.00 12.35 C ATOM 1259 C GLN A 82 -7.452 5.058 19.853 1.00 10.51 C ATOM 1260 O GLN A 82 -8.091 6.008 19.451 1.00 9.05 O ATOM 1261 CB GLN A 82 -8.502 3.735 21.586 1.00 17.68 C ATOM 1262 CG GLN A 82 -9.856 3.143 21.964 1.00 30.21 C ATOM 1263 CD GLN A 82 -9.806 2.867 23.469 1.00 40.63 C ATOM 1264 OE1 GLN A 82 -9.380 3.641 24.333 1.00 45.30 O ATOM 1265 NE2 GLN A 82 -10.227 1.642 23.771 1.00 45.00 N ATOM 1266 HA GLN A 82 -9.015 3.688 19.451 1.00 0.00 H ATOM 1267 HB2 GLN A 82 -7.734 3.167 22.111 1.00 0.00 H ATOM 1268 HB3 GLN A 82 -8.486 4.769 21.929 1.00 0.00 H ATOM 1269 HG2 GLN A 82 -10.653 3.851 21.737 1.00 0.00 H ATOM 1270 HG3 GLN A 82 -10.028 2.216 21.417 1.00 0.00 H ATOM 1271 HE22 GLN A 82 -10.580 1.014 23.021 1.00 0.00 H ATOM 1272 HE21 GLN A 82 -10.203 1.312 24.757 1.00 0.00 H ATOM 1273 H GLN A 82 -7.127 1.799 20.392 1.00 0.00 H ATOM 1274 N LEU A 83 -6.122 5.106 20.038 1.00 12.46 N ATOM 1275 CA LEU A 83 -5.339 6.255 19.531 1.00 13.65 C ATOM 1276 C LEU A 83 -5.548 6.583 18.032 1.00 13.01 C ATOM 1277 O LEU A 83 -5.872 7.697 17.622 1.00 12.45 O ATOM 1278 CB LEU A 83 -3.868 5.912 19.842 1.00 21.11 C ATOM 1279 CG LEU A 83 -2.571 6.743 19.527 1.00 22.86 C ATOM 1280 CD1 LEU A 83 -2.393 7.276 18.106 1.00 16.53 C ATOM 1281 CD2 LEU A 83 -2.160 7.692 20.646 1.00 21.76 C ATOM 1282 HA LEU A 83 -5.675 7.168 20.023 1.00 0.00 H ATOM 1283 HB2 LEU A 83 -3.845 5.772 20.923 1.00 0.00 H ATOM 1284 HB3 LEU A 83 -3.703 4.954 19.349 1.00 0.00 H ATOM 1285 HG LEU A 83 -1.804 5.968 19.519 1.00 0.00 H ATOM 1286 HD21 LEU A 83 -2.964 8.404 20.830 1.00 0.00 H ATOM 1287 HD22 LEU A 83 -1.965 7.120 21.553 1.00 0.00 H ATOM 1288 HD23 LEU A 83 -1.258 8.228 20.353 1.00 0.00 H ATOM 1289 HD11 LEU A 83 -2.374 6.441 17.406 1.00 0.00 H ATOM 1290 HD12 LEU A 83 -3.223 7.939 17.861 1.00 0.00 H ATOM 1291 HD13 LEU A 83 -1.455 7.827 18.041 1.00 0.00 H ATOM 1292 H LEU A 83 -5.641 4.332 20.540 1.00 0.00 H ATOM 1293 N VAL A 84 -5.343 5.527 17.223 1.00 11.15 N ATOM 1294 CA VAL A 84 -5.543 5.612 15.775 1.00 8.76 C ATOM 1295 C VAL A 84 -6.965 6.030 15.289 1.00 11.30 C ATOM 1296 O VAL A 84 -7.152 6.872 14.407 1.00 11.49 O ATOM 1297 CB VAL A 84 -5.086 4.276 15.131 1.00 9.09 C ATOM 1298 CG1 VAL A 84 -5.449 4.169 13.643 1.00 5.39 C ATOM 1299 CG2 VAL A 84 -3.567 4.088 15.292 1.00 5.79 C ATOM 1300 HA VAL A 84 -4.927 6.446 15.439 1.00 0.00 H ATOM 1301 HB VAL A 84 -5.623 3.489 15.660 1.00 0.00 H ATOM 1302 HG11 VAL A 84 -6.531 4.238 13.528 1.00 0.00 H ATOM 1303 HG12 VAL A 84 -4.971 4.981 13.095 1.00 0.00 H ATOM 1304 HG13 VAL A 84 -5.102 3.212 13.253 1.00 0.00 H ATOM 1305 HG21 VAL A 84 -3.046 4.912 14.804 1.00 0.00 H ATOM 1306 HG22 VAL A 84 -3.314 4.074 16.352 1.00 0.00 H ATOM 1307 HG23 VAL A 84 -3.268 3.145 14.834 1.00 0.00 H ATOM 1308 H VAL A 84 -5.034 4.625 17.638 1.00 0.00 H ATOM 1309 N ALA A 85 -7.979 5.414 15.925 1.00 10.97 N ATOM 1310 CA ALA A 85 -9.369 5.861 15.742 1.00 10.02 C ATOM 1311 C ALA A 85 -9.673 7.323 16.146 1.00 11.45 C ATOM 1312 O ALA A 85 -10.339 8.049 15.421 1.00 10.12 O ATOM 1313 CB ALA A 85 -10.347 4.942 16.492 1.00 6.12 C ATOM 1314 HA ALA A 85 -9.507 5.807 14.662 1.00 0.00 H ATOM 1315 HB1 ALA A 85 -10.253 3.925 16.111 1.00 0.00 H ATOM 1316 HB2 ALA A 85 -10.112 4.955 17.556 1.00 0.00 H ATOM 1317 HB3 ALA A 85 -11.366 5.296 16.339 1.00 0.00 H ATOM 1318 H ALA A 85 -7.777 4.611 16.554 1.00 0.00 H ATOM 1319 N TYR A 86 -9.122 7.760 17.304 1.00 10.43 N ATOM 1320 CA TYR A 86 -9.175 9.198 17.632 1.00 10.01 C ATOM 1321 C TYR A 86 -8.623 10.155 16.559 1.00 10.78 C ATOM 1322 O TYR A 86 -9.318 10.984 15.972 1.00 11.75 O ATOM 1323 CB TYR A 86 -8.478 9.453 18.971 1.00 11.34 C ATOM 1324 CG TYR A 86 -8.628 10.910 19.458 1.00 15.22 C ATOM 1325 CD1 TYR A 86 -9.781 11.260 20.180 1.00 13.08 C ATOM 1326 CD2 TYR A 86 -7.627 11.878 19.208 1.00 13.09 C ATOM 1327 CE1 TYR A 86 -9.927 12.570 20.661 1.00 14.78 C ATOM 1328 CE2 TYR A 86 -7.780 13.209 19.678 1.00 12.36 C ATOM 1329 CZ TYR A 86 -8.933 13.539 20.411 1.00 14.26 C ATOM 1330 OH TYR A 86 -9.144 14.813 20.910 1.00 13.90 O ATOM 1331 HA TYR A 86 -10.238 9.431 17.687 1.00 0.00 H ATOM 1332 HB3 TYR A 86 -7.417 9.231 18.859 1.00 0.00 H ATOM 1333 HB2 TYR A 86 -8.910 8.789 19.720 1.00 0.00 H ATOM 1334 HD2 TYR A 86 -6.732 11.600 18.651 1.00 0.00 H ATOM 1335 HE2 TYR A 86 -7.018 13.961 19.474 1.00 0.00 H ATOM 1336 HE1 TYR A 86 -10.815 12.841 21.232 1.00 0.00 H ATOM 1337 HD1 TYR A 86 -10.558 10.518 20.366 1.00 0.00 H ATOM 1338 HH TYR A 86 -8.410 15.048 21.532 1.00 0.00 H ATOM 1339 H TYR A 86 -8.666 7.089 17.955 1.00 0.00 H ATOM 1340 N TYR A 87 -7.319 9.978 16.308 1.00 8.87 N ATOM 1341 CA TYR A 87 -6.664 10.878 15.358 1.00 7.64 C ATOM 1342 C TYR A 87 -7.070 10.793 13.890 1.00 8.99 C ATOM 1343 O TYR A 87 -6.831 11.675 13.067 1.00 7.65 O ATOM 1344 CB TYR A 87 -5.158 10.719 15.512 1.00 8.59 C ATOM 1345 CG TYR A 87 -4.743 11.251 16.863 1.00 8.16 C ATOM 1346 CD1 TYR A 87 -4.776 12.645 17.047 1.00 9.12 C ATOM 1347 CD2 TYR A 87 -4.302 10.371 17.865 1.00 6.26 C ATOM 1348 CE1 TYR A 87 -4.313 13.186 18.256 1.00 6.89 C ATOM 1349 CE2 TYR A 87 -3.851 10.918 19.077 1.00 7.59 C ATOM 1350 CZ TYR A 87 -3.872 12.316 19.248 1.00 6.87 C ATOM 1351 OH TYR A 87 -3.481 12.837 20.457 1.00 10.04 O ATOM 1352 HA TYR A 87 -7.018 11.873 15.630 1.00 0.00 H ATOM 1353 HB3 TYR A 87 -4.649 11.278 14.727 1.00 0.00 H ATOM 1354 HB2 TYR A 87 -4.892 9.665 15.437 1.00 0.00 H ATOM 1355 HD2 TYR A 87 -4.310 9.293 17.706 1.00 0.00 H ATOM 1356 HE2 TYR A 87 -3.489 10.269 19.875 1.00 0.00 H ATOM 1357 HE1 TYR A 87 -4.299 14.264 18.415 1.00 0.00 H ATOM 1358 HD1 TYR A 87 -5.156 13.297 16.260 1.00 0.00 H ATOM 1359 HH TYR A 87 -2.544 12.574 20.641 1.00 0.00 H ATOM 1360 H TYR A 87 -6.785 9.219 16.777 1.00 0.00 H ATOM 1361 N SER A 88 -7.742 9.650 13.600 1.00 10.80 N ATOM 1362 CA SER A 88 -8.505 9.562 12.330 1.00 11.74 C ATOM 1363 C SER A 88 -9.673 10.495 12.178 1.00 9.35 C ATOM 1364 O SER A 88 -10.071 10.852 11.080 1.00 12.27 O ATOM 1365 CB SER A 88 -9.133 8.207 12.005 1.00 8.73 C ATOM 1366 OG SER A 88 -8.116 7.255 11.754 1.00 13.24 O ATOM 1367 HA SER A 88 -7.679 9.815 11.666 1.00 0.00 H ATOM 1368 HB2 SER A 88 -9.765 8.303 11.122 1.00 0.00 H ATOM 1369 HB3 SER A 88 -9.738 7.876 12.849 1.00 0.00 H ATOM 1370 HG SER A 88 -7.543 7.167 12.556 1.00 0.00 H ATOM 1371 H SER A 88 -7.723 8.846 14.259 1.00 0.00 H ATOM 1372 N LYS A 89 -10.238 10.858 13.320 1.00 8.50 N ATOM 1373 CA LYS A 89 -11.365 11.790 13.289 1.00 10.48 C ATOM 1374 C LYS A 89 -10.922 13.225 13.525 1.00 12.47 C ATOM 1375 O LYS A 89 -11.443 14.156 12.941 1.00 15.97 O ATOM 1376 CB LYS A 89 -12.490 11.261 14.230 1.00 13.19 C ATOM 1377 CG LYS A 89 -12.985 9.875 13.681 1.00 21.23 C ATOM 1378 CD LYS A 89 -13.502 8.722 14.619 1.00 24.15 C ATOM 1379 CE LYS A 89 -13.385 7.224 14.119 1.00 23.34 C ATOM 1380 NZ LYS A 89 -14.129 6.254 14.968 1.00 14.72 N ATOM 1381 HA LYS A 89 -11.801 11.832 12.291 1.00 0.00 H ATOM 1382 HB2 LYS A 89 -12.098 11.139 15.240 1.00 0.00 H ATOM 1383 HB3 LYS A 89 -13.319 11.968 14.246 1.00 0.00 H ATOM 1384 HG2 LYS A 89 -13.804 10.097 12.997 1.00 0.00 H ATOM 1385 HG3 LYS A 89 -12.149 9.456 13.121 1.00 0.00 H ATOM 1386 HD2 LYS A 89 -12.944 8.793 15.553 1.00 0.00 H ATOM 1387 HD3 LYS A 89 -14.557 8.914 14.812 1.00 0.00 H ATOM 1388 HE2 LYS A 89 -12.332 6.943 14.115 1.00 0.00 H ATOM 1389 HE3 LYS A 89 -13.779 7.167 13.104 1.00 0.00 H ATOM 1390 HZ1 LYS A 89 -13.757 6.288 15.939 1.00 0.00 H ATOM 1391 HZ2 LYS A 89 -15.139 6.503 14.973 1.00 0.00 H ATOM 1392 HZ3 LYS A 89 -14.009 5.295 14.583 1.00 0.00 H ATOM 1393 H LYS A 89 -9.886 10.486 14.225 1.00 0.00 H ATOM 1394 N HIS A 90 -9.893 13.393 14.367 1.00 14.39 N ATOM 1395 CA HIS A 90 -9.402 14.733 14.739 1.00 14.23 C ATOM 1396 C HIS A 90 -7.901 14.840 14.580 1.00 13.66 C ATOM 1397 O HIS A 90 -7.221 13.972 15.095 1.00 14.42 O ATOM 1398 CB HIS A 90 -9.557 14.978 16.232 1.00 14.95 C ATOM 1399 CG HIS A 90 -10.949 14.676 16.663 1.00 15.56 C ATOM 1400 ND1 HIS A 90 -11.991 15.463 16.338 1.00 19.15 N ATOM 1401 CD2 HIS A 90 -11.387 13.579 17.402 1.00 16.98 C ATOM 1402 CE1 HIS A 90 -13.097 14.871 16.865 1.00 16.58 C ATOM 1403 NE2 HIS A 90 -12.726 13.721 17.515 1.00 18.31 N ATOM 1404 HA HIS A 90 -9.966 15.418 14.107 1.00 0.00 H ATOM 1405 HB2 HIS A 90 -8.864 14.336 16.776 1.00 0.00 H ATOM 1406 HB3 HIS A 90 -9.331 16.022 16.451 1.00 0.00 H ATOM 1407 HD2 HIS A 90 -10.775 12.772 17.806 1.00 0.00 H ATOM 1408 HE1 HIS A 90 -14.116 15.250 16.784 1.00 0.00 H ATOM 1409 H HIS A 90 -9.427 12.555 14.770 1.00 0.00 H ATOM 1410 N ALA A 91 -7.391 15.921 13.943 1.00 12.29 N ATOM 1411 CA ALA A 91 -5.930 16.145 14.039 1.00 11.94 C ATOM 1412 C ALA A 91 -5.412 16.362 15.471 1.00 11.59 C ATOM 1413 O ALA A 91 -4.416 15.809 15.901 1.00 13.43 O ATOM 1414 CB ALA A 91 -5.516 17.373 13.204 1.00 9.97 C ATOM 1415 HA ALA A 91 -5.484 15.225 13.660 1.00 0.00 H ATOM 1416 HB1 ALA A 91 -5.782 17.207 12.160 1.00 0.00 H ATOM 1417 HB2 ALA A 91 -6.035 18.256 13.576 1.00 0.00 H ATOM 1418 HB3 ALA A 91 -4.439 17.521 13.287 1.00 0.00 H ATOM 1419 H ALA A 91 -8.002 16.569 13.407 1.00 0.00 H ATOM 1420 N ASP A 92 -6.161 17.245 16.176 1.00 12.99 N ATOM 1421 CA ASP A 92 -5.912 17.666 17.579 1.00 13.02 C ATOM 1422 C ASP A 92 -4.440 17.896 17.940 1.00 11.66 C ATOM 1423 O ASP A 92 -3.816 17.242 18.771 1.00 11.91 O ATOM 1424 CB ASP A 92 -6.674 16.737 18.564 1.00 10.68 C ATOM 1425 CG ASP A 92 -6.781 17.262 20.016 1.00 11.02 C ATOM 1426 OD1 ASP A 92 -6.663 18.455 20.287 1.00 8.12 O ATOM 1427 OD2 ASP A 92 -6.989 16.432 20.899 1.00 12.13 O ATOM 1428 HA ASP A 92 -6.326 18.669 17.682 1.00 0.00 H ATOM 1429 HB2 ASP A 92 -7.685 16.595 18.181 1.00 0.00 H ATOM 1430 HB3 ASP A 92 -6.159 15.777 18.589 1.00 0.00 H ATOM 1431 H ASP A 92 -6.981 17.664 15.693 1.00 0.00 H ATOM 1432 N GLY A 93 -3.874 18.844 17.158 1.00 11.74 N ATOM 1433 CA GLY A 93 -2.436 19.112 17.252 1.00 12.41 C ATOM 1434 C GLY A 93 -1.457 18.252 16.426 1.00 14.91 C ATOM 1435 O GLY A 93 -0.336 18.669 16.202 1.00 14.24 O ATOM 1436 HA3 GLY A 93 -2.157 18.996 18.299 1.00 0.00 H ATOM 1437 HA2 GLY A 93 -2.284 20.148 16.950 1.00 0.00 H ATOM 1438 H GLY A 93 -4.460 19.383 16.489 1.00 0.00 H ATOM 1439 N LEU A 94 -1.878 17.064 15.924 1.00 15.48 N ATOM 1440 CA LEU A 94 -1.062 16.456 14.840 1.00 14.61 C ATOM 1441 C LEU A 94 -1.001 17.323 13.580 1.00 14.67 C ATOM 1442 O LEU A 94 -1.849 18.177 13.399 1.00 15.55 O ATOM 1443 CB LEU A 94 -1.544 15.049 14.418 1.00 14.48 C ATOM 1444 CG LEU A 94 -1.679 13.983 15.521 1.00 13.86 C ATOM 1445 CD1 LEU A 94 -1.805 12.602 14.896 1.00 13.79 C ATOM 1446 CD2 LEU A 94 -0.520 13.947 16.521 1.00 11.49 C ATOM 1447 HA LEU A 94 -0.070 16.377 15.284 1.00 0.00 H ATOM 1448 HB2 LEU A 94 -2.523 15.165 13.954 1.00 0.00 H ATOM 1449 HB3 LEU A 94 -0.837 14.669 13.681 1.00 0.00 H ATOM 1450 HG LEU A 94 -2.573 14.264 16.078 1.00 0.00 H ATOM 1451 HD21 LEU A 94 0.409 13.737 15.991 1.00 0.00 H ATOM 1452 HD22 LEU A 94 -0.444 14.912 17.022 1.00 0.00 H ATOM 1453 HD23 LEU A 94 -0.703 13.166 17.259 1.00 0.00 H ATOM 1454 HD11 LEU A 94 -2.688 12.573 14.258 1.00 0.00 H ATOM 1455 HD12 LEU A 94 -0.917 12.392 14.300 1.00 0.00 H ATOM 1456 HD13 LEU A 94 -1.900 11.855 15.684 1.00 0.00 H ATOM 1457 H LEU A 94 -2.736 16.598 16.283 1.00 0.00 H ATOM 1458 N CYS A 95 -0.008 17.102 12.687 1.00 15.89 N ATOM 1459 CA CYS A 95 0.067 17.885 11.421 1.00 13.42 C ATOM 1460 C CYS A 95 -1.175 17.875 10.508 1.00 14.79 C ATOM 1461 O CYS A 95 -1.485 18.775 9.721 1.00 15.39 O ATOM 1462 CB CYS A 95 1.282 17.440 10.588 1.00 13.52 C ATOM 1463 SG CYS A 95 1.366 15.669 10.130 1.00 15.71 S ATOM 1464 HA CYS A 95 0.150 18.912 11.776 1.00 0.00 H ATOM 1465 HB2 CYS A 95 2.179 17.676 11.161 1.00 0.00 H ATOM 1466 HB3 CYS A 95 1.279 18.020 9.665 1.00 0.00 H ATOM 1467 HG CYS A 95 2.508 15.440 9.390 1.00 0.00 H ATOM 1468 H CYS A 95 0.711 16.377 12.887 1.00 0.00 H ATOM 1469 N HIS A 96 -1.868 16.743 10.671 1.00 11.02 N ATOM 1470 CA HIS A 96 -2.953 16.316 9.797 1.00 10.95 C ATOM 1471 C HIS A 96 -3.679 15.146 10.464 1.00 11.42 C ATOM 1472 O HIS A 96 -3.100 14.331 11.185 1.00 9.52 O ATOM 1473 CB HIS A 96 -2.363 15.940 8.426 1.00 13.02 C ATOM 1474 CG HIS A 96 -3.414 15.921 7.339 1.00 15.39 C ATOM 1475 ND1 HIS A 96 -3.693 16.993 6.580 1.00 16.49 N ATOM 1476 CD2 HIS A 96 -4.232 14.870 6.918 1.00 15.08 C ATOM 1477 CE1 HIS A 96 -4.671 16.633 5.691 1.00 16.07 C ATOM 1478 NE2 HIS A 96 -4.999 15.329 5.897 1.00 18.66 N ATOM 1479 HA HIS A 96 -3.680 17.112 9.636 1.00 0.00 H ATOM 1480 HB2 HIS A 96 -1.597 16.669 8.161 1.00 0.00 H ATOM 1481 HB3 HIS A 96 -1.912 14.950 8.497 1.00 0.00 H ATOM 1482 HD2 HIS A 96 -4.251 13.863 7.334 1.00 0.00 H ATOM 1483 HE1 HIS A 96 -5.115 17.286 4.940 1.00 0.00 H ATOM 1484 H HIS A 96 -1.617 16.129 11.472 1.00 0.00 H ATOM 1485 N ARG A 97 -4.989 15.105 10.198 1.00 12.39 N ATOM 1486 CA ARG A 97 -5.777 13.902 10.490 1.00 12.68 C ATOM 1487 C ARG A 97 -5.261 12.639 9.762 1.00 11.85 C ATOM 1488 O ARG A 97 -4.864 12.641 8.592 1.00 9.23 O ATOM 1489 CB ARG A 97 -7.213 14.290 10.119 1.00 15.64 C ATOM 1490 CG ARG A 97 -8.289 13.235 9.986 1.00 21.58 C ATOM 1491 CD ARG A 97 -9.637 13.831 10.403 1.00 23.07 C ATOM 1492 NE ARG A 97 -10.567 14.180 9.333 1.00 29.92 N ATOM 1493 CZ ARG A 97 -11.588 13.391 8.997 1.00 31.72 C ATOM 1494 NH1 ARG A 97 -11.614 12.140 9.349 1.00 34.71 N ATOM 1495 NH2 ARG A 97 -12.594 13.840 8.288 1.00 33.93 N ATOM 1496 HA ARG A 97 -5.701 13.608 11.537 1.00 0.00 H ATOM 1497 HB2 ARG A 97 -7.554 14.988 10.883 1.00 0.00 H ATOM 1498 HB3 ARG A 97 -7.159 14.802 9.159 1.00 0.00 H ATOM 1499 HG2 ARG A 97 -8.344 12.899 8.951 1.00 0.00 H ATOM 1500 HG3 ARG A 97 -8.050 12.388 10.629 1.00 0.00 H ATOM 1501 HD2 ARG A 97 -9.434 14.739 10.971 1.00 0.00 H ATOM 1502 HD3 ARG A 97 -10.133 13.104 11.046 1.00 0.00 H ATOM 1503 HE ARG A 97 -10.429 15.072 8.817 1.00 0.00 H ATOM 1504 HH12 ARG A 97 -12.419 11.540 9.078 1.00 0.00 H ATOM 1505 HH11 ARG A 97 -10.830 11.739 9.902 1.00 0.00 H ATOM 1506 HH22 ARG A 97 -13.379 13.205 8.039 1.00 0.00 H ATOM 1507 HH21 ARG A 97 -12.608 14.832 7.975 1.00 0.00 H ATOM 1508 H ARG A 97 -5.455 15.935 9.779 1.00 0.00 H ATOM 1509 N LEU A 98 -5.254 11.551 10.525 1.00 10.67 N ATOM 1510 CA LEU A 98 -4.881 10.275 9.887 1.00 8.61 C ATOM 1511 C LEU A 98 -5.844 9.889 8.740 1.00 12.60 C ATOM 1512 O LEU A 98 -7.073 9.942 8.862 1.00 15.23 O ATOM 1513 CB LEU A 98 -4.885 9.229 11.011 1.00 7.33 C ATOM 1514 CG LEU A 98 -3.604 9.034 11.811 1.00 6.33 C ATOM 1515 CD1 LEU A 98 -2.819 10.303 11.988 1.00 8.37 C ATOM 1516 CD2 LEU A 98 -3.771 8.216 13.091 1.00 5.45 C ATOM 1517 HA LEU A 98 -3.901 10.348 9.415 1.00 0.00 H ATOM 1518 HB2 LEU A 98 -5.667 9.513 11.715 1.00 0.00 H ATOM 1519 HB3 LEU A 98 -5.135 8.269 10.560 1.00 0.00 H ATOM 1520 HG LEU A 98 -2.980 8.397 11.184 1.00 0.00 H ATOM 1521 HD21 LEU A 98 -4.482 8.715 13.749 1.00 0.00 H ATOM 1522 HD22 LEU A 98 -4.142 7.222 12.840 1.00 0.00 H ATOM 1523 HD23 LEU A 98 -2.808 8.130 13.594 1.00 0.00 H ATOM 1524 HD11 LEU A 98 -2.541 10.696 11.010 1.00 0.00 H ATOM 1525 HD12 LEU A 98 -3.430 11.036 12.516 1.00 0.00 H ATOM 1526 HD13 LEU A 98 -1.919 10.094 12.566 1.00 0.00 H ATOM 1527 H LEU A 98 -5.502 11.598 11.534 1.00 0.00 H ATOM 1528 N THR A 99 -5.234 9.544 7.602 1.00 11.32 N ATOM 1529 CA THR A 99 -6.025 9.206 6.418 1.00 11.37 C ATOM 1530 C THR A 99 -5.734 7.796 5.940 1.00 11.12 C ATOM 1531 O THR A 99 -6.181 6.835 6.546 1.00 13.93 O ATOM 1532 CB THR A 99 -5.888 10.215 5.244 1.00 10.04 C ATOM 1533 OG1 THR A 99 -4.573 10.194 4.704 1.00 12.58 O ATOM 1534 CG2 THR A 99 -6.223 11.652 5.611 1.00 8.03 C ATOM 1535 HA THR A 99 -7.062 9.268 6.748 1.00 0.00 H ATOM 1536 HB THR A 99 -6.621 9.881 4.510 1.00 0.00 H ATOM 1537 HG1 THR A 99 -4.513 10.844 3.960 1.00 0.00 H ATOM 1538 HG23 THR A 99 -7.229 11.694 6.028 1.00 0.00 H ATOM 1539 HG21 THR A 99 -5.507 12.014 6.349 1.00 0.00 H ATOM 1540 HG22 THR A 99 -6.172 12.275 4.718 1.00 0.00 H ATOM 1541 H THR A 99 -4.195 9.516 7.558 1.00 0.00 H ATOM 1542 N ASN A 100 -4.973 7.629 4.871 1.00 11.08 N ATOM 1543 CA ASN A 100 -4.711 6.255 4.444 1.00 9.51 C ATOM 1544 C ASN A 100 -3.730 5.518 5.347 1.00 11.12 C ATOM 1545 O ASN A 100 -2.754 6.069 5.835 1.00 9.46 O ATOM 1546 CB ASN A 100 -4.153 6.255 3.022 1.00 9.94 C ATOM 1547 CG ASN A 100 -5.201 6.527 1.964 1.00 13.45 C ATOM 1548 OD1 ASN A 100 -6.383 6.693 2.220 1.00 14.81 O ATOM 1549 ND2 ASN A 100 -4.740 6.579 0.718 1.00 13.52 N ATOM 1550 HA ASN A 100 -5.665 5.731 4.497 1.00 0.00 H ATOM 1551 HB2 ASN A 100 -3.384 7.024 2.952 1.00 0.00 H ATOM 1552 HB3 ASN A 100 -3.708 5.280 2.825 1.00 0.00 H ATOM 1553 HD22 ASN A 100 -3.727 6.433 0.532 1.00 0.00 H ATOM 1554 HD21 ASN A 100 -5.392 6.765 -0.070 1.00 0.00 H ATOM 1555 H ASN A 100 -4.577 8.441 4.356 1.00 0.00 H ATOM 1556 N VAL A 101 -3.984 4.234 5.553 1.00 15.06 N ATOM 1557 CA VAL A 101 -2.832 3.491 6.113 1.00 19.76 C ATOM 1558 C VAL A 101 -1.706 3.253 5.087 1.00 19.96 C ATOM 1559 O VAL A 101 -1.933 3.162 3.892 1.00 20.94 O ATOM 1560 CB VAL A 101 -3.193 2.163 6.814 1.00 17.94 C ATOM 1561 CG1 VAL A 101 -4.355 2.357 7.794 1.00 17.92 C ATOM 1562 CG2 VAL A 101 -3.476 1.083 5.781 1.00 20.67 C ATOM 1563 HA VAL A 101 -2.463 4.164 6.887 1.00 0.00 H ATOM 1564 HB VAL A 101 -2.340 1.831 7.406 1.00 0.00 H ATOM 1565 HG11 VAL A 101 -4.071 3.087 8.552 1.00 0.00 H ATOM 1566 HG12 VAL A 101 -5.230 2.716 7.252 1.00 0.00 H ATOM 1567 HG13 VAL A 101 -4.587 1.406 8.273 1.00 0.00 H ATOM 1568 HG21 VAL A 101 -4.310 1.393 5.152 1.00 0.00 H ATOM 1569 HG22 VAL A 101 -2.591 0.932 5.163 1.00 0.00 H ATOM 1570 HG23 VAL A 101 -3.729 0.153 6.290 1.00 0.00 H ATOM 1571 H VAL A 101 -4.901 3.792 5.342 1.00 0.00 H ATOM 1572 N CYS A 102 -0.478 3.185 5.565 1.00 17.81 N ATOM 1573 CA CYS A 102 0.560 3.026 4.553 1.00 17.60 C ATOM 1574 C CYS A 102 0.558 1.685 3.816 1.00 17.93 C ATOM 1575 O CYS A 102 0.552 0.607 4.403 1.00 17.55 O ATOM 1576 CB CYS A 102 1.897 3.319 5.195 1.00 15.85 C ATOM 1577 SG CYS A 102 3.134 3.458 3.911 1.00 20.77 S ATOM 1578 HA CYS A 102 0.346 3.741 3.759 1.00 0.00 H ATOM 1579 HB2 CYS A 102 2.163 2.509 5.874 1.00 0.00 H ATOM 1580 HB3 CYS A 102 1.839 4.254 5.752 1.00 0.00 H ATOM 1581 HG CYS A 102 3.201 2.272 3.209 1.00 0.00 H ATOM 1582 H CYS A 102 -0.267 3.240 6.582 1.00 0.00 H ATOM 1583 N PRO A 103 0.536 1.778 2.494 1.00 21.41 N ATOM 1584 CA PRO A 103 0.536 0.541 1.700 1.00 29.07 C ATOM 1585 C PRO A 103 1.950 -0.060 1.568 1.00 35.53 C ATOM 1586 O PRO A 103 2.932 0.678 1.613 1.00 38.48 O ATOM 1587 CB PRO A 103 -0.051 1.063 0.385 1.00 26.19 C ATOM 1588 CG PRO A 103 0.556 2.461 0.245 1.00 25.23 C ATOM 1589 CD PRO A 103 0.528 2.987 1.683 1.00 23.48 C ATOM 1590 HA PRO A 103 -0.025 -0.292 2.124 1.00 0.00 H ATOM 1591 HD3 PRO A 103 1.405 3.600 1.890 1.00 0.00 H ATOM 1592 HD2 PRO A 103 -0.374 3.572 1.866 1.00 0.00 H ATOM 1593 HG3 PRO A 103 -0.046 3.087 -0.414 1.00 0.00 H ATOM 1594 HG2 PRO A 103 1.576 2.410 -0.135 1.00 0.00 H ATOM 1595 HB2 PRO A 103 0.241 0.427 -0.451 1.00 0.00 H ATOM 1596 HB3 PRO A 103 -1.138 1.115 0.438 1.00 0.00 H ATOM 1597 N THR A 104 1.980 -1.397 1.420 1.00 41.09 N ATOM 1598 CA THR A 104 3.151 -2.320 1.432 1.00 48.18 C ATOM 1599 C THR A 104 3.300 -3.232 2.726 1.00 49.83 C ATOM 1600 O THR A 104 2.495 -4.144 2.963 1.00 50.02 O ATOM 1601 CB THR A 104 4.538 -1.683 0.960 1.00 52.31 C ATOM 1602 OG1 THR A 104 4.443 -0.663 -0.085 1.00 53.23 O ATOM 1603 CG2 THR A 104 5.538 -2.753 0.468 1.00 54.56 C ATOM 1604 HA THR A 104 2.876 -3.012 0.636 1.00 0.00 H ATOM 1605 HB THR A 104 4.891 -1.197 1.869 1.00 0.00 H ATOM 1606 HG1 THR A 104 3.887 0.089 0.239 1.00 0.00 H ATOM 1607 HG23 THR A 104 5.635 -3.533 1.224 1.00 0.00 H ATOM 1608 HG21 THR A 104 5.173 -3.190 -0.462 1.00 0.00 H ATOM 1609 HG22 THR A 104 6.509 -2.289 0.296 1.00 0.00 H ATOM 1610 H THR A 104 1.055 -1.851 1.277 1.00 0.00 H TER 1611 THR A 104 HETATM 1612 O HOH 1 -2.318 11.815 22.752 1.00 6.66 O HETATM 1613 O HOH 2 13.186 16.365 17.963 1.00 40.03 O HETATM 1614 O HOH 3 -3.844 15.864 21.484 1.00 35.91 O HETATM 1615 O HOH 4 6.362 13.211 19.668 1.00 17.06 O HETATM 1616 O HOH 5 9.330 14.626 13.137 1.00 13.75 O HETATM 1617 O HOH 6 3.720 18.721 13.709 1.00 50.44 O HETATM 1618 O HOH 7 4.655 21.388 17.529 1.00 10.38 O HETATM 1619 O HOH 8 2.741 21.989 14.843 1.00 13.93 O HETATM 1620 O HOH 9 14.238 8.183 5.006 1.00 34.34 O HETATM 1621 O HOH 10 8.624 21.617 14.351 1.00 35.94 O HETATM 1622 O HOH 11 15.319 17.323 21.902 1.00 44.91 O HETATM 1623 O HOH 12 14.637 12.604 18.717 1.00 37.14 O HETATM 1624 O HOH 13 15.900 9.675 17.235 1.00 20.15 O HETATM 1625 O HOH 14 10.180 18.678 18.292 1.00 38.13 O HETATM 1626 O HOH 15 16.458 19.500 19.202 1.00 43.43 O HETATM 1627 O HOH 16 -0.248 20.678 14.144 1.00 26.77 O HETATM 1628 O HOH 17 4.495 20.005 6.368 1.00 25.96 O HETATM 1629 O HOH 18 0.993 20.716 7.233 1.00 43.99 O HETATM 1630 O HOH 19 2.651 20.813 10.652 1.00 22.54 O HETATM 1631 O HOH 20 6.207 21.560 9.056 1.00 44.32 O HETATM 1632 O HOH 21 9.446 17.658 10.145 1.00 27.49 O HETATM 1633 O HOH 22 -3.327 20.470 12.579 1.00 48.95 O HETATM 1634 O HOH 23 11.393 13.363 9.498 1.00 35.90 O HETATM 1635 O HOH 24 4.440 13.045 22.316 1.00 35.63 O HETATM 1636 O HOH 25 3.586 16.294 23.695 1.00 31.03 O HETATM 1637 O HOH 26 2.894 19.973 24.337 1.00 17.31 O HETATM 1638 O HOH 27 15.204 2.994 2.851 1.00 28.91 O HETATM 1639 O HOH 28 16.661 6.384 3.292 1.00 26.98 O HETATM 1640 O HOH 29 14.686 12.337 10.838 1.00 38.29 O HETATM 1641 O HOH 30 -7.676 16.791 23.430 1.00 19.05 O HETATM 1642 O HOH 31 8.882 20.510 -3.870 1.00 19.98 O HETATM 1643 O HOH 32 -10.731 6.709 20.377 1.00 17.44 O HETATM 1644 O HOH 33 13.194 17.810 -0.232 1.00 16.49 O HETATM 1645 O HOH 34 -11.267 3.945 13.329 1.00 34.52 O HETATM 1646 O HOH 35 -9.908 9.410 8.134 1.00 42.76 O HETATM 1647 O HOH 36 5.436 20.551 26.755 1.00 28.70 O HETATM 1648 O HOH 37 2.827 -1.275 30.821 1.00 32.63 O HETATM 1649 O HOH 38 7.392 -2.117 22.863 1.00 34.25 O HETATM 1650 O HOH 39 5.566 7.764 33.357 1.00 35.13 O HETATM 1651 O HOH 40 12.175 17.605 6.243 1.00 45.79 O HETATM 1652 O HOH 41 11.792 18.386 2.865 1.00 32.54 O HETATM 1653 O HOH 42 12.221 19.549 20.082 1.00 44.58 O HETATM 1654 O HOH 43 17.279 9.317 20.374 1.00 42.02 O HETATM 1655 O HOH 44 14.001 8.510 21.319 1.00 29.26 O HETATM 1656 O HOH 45 16.007 8.149 0.258 1.00 27.95 O HETATM 1657 O HOH 46 -7.084 4.787 8.570 1.00 37.85 O HETATM 1658 O HOH 47 14.523 25.516 1.324 1.00 35.75 O HETATM 1659 O HOH 48 -7.992 11.370 28.510 1.00 40.07 O HETATM 1660 O HOH 49 -5.750 3.317 33.472 1.00 38.48 O HETATM 1661 O HOH 50 -6.843 17.432 9.046 1.00 26.69 O HETATM 1662 O HOH 51 11.527 0.515 15.267 1.00 30.84 O HETATM 1663 O HOH 52 16.512 4.607 10.943 1.00 21.50 O HETATM 1664 O HOH 53 13.560 11.810 4.609 1.00 39.79 O HETATM 1665 O HOH 54 4.152 3.128 0.267 1.00 23.77 O HETATM 1666 O HOH 55 6.932 3.675 27.020 1.00 32.36 O HETATM 1667 O HOH 56 -8.547 5.861 3.722 1.00 24.12 O HETATM 1668 O HOH 57 12.449 1.854 0.498 1.00 49.57 O HETATM 1669 O HOH 58 19.240 6.416 23.816 1.00 42.79 O HETATM 1670 O HOH 59 17.621 9.961 4.448 1.00 45.01 O HETATM 1671 O HOH 60 -9.292 14.846 28.245 1.00 42.03 O HETATM 1672 O HOH 61 6.320 5.863 30.197 1.00 46.82 O HETATM 1673 C1 UNN A 62 0.049 17.668 19.958 1.00 -0.05 C HETATM 1674 C2 UNN A 62 0.513 19.104 19.709 1.00 -0.05 C HETATM 1675 C3 UNN A 62 1.984 19.167 19.247 1.00 -0.05 C HETATM 1676 C4 UNN A 62 2.917 18.497 20.273 1.00 -0.04 C HETATM 1677 C5 UNN A 62 2.467 17.043 20.458 1.00 -0.05 C HETATM 1678 C6 UNN A 62 0.999 16.945 20.915 1.00 -0.05 C HETATM 1679 H10 UNN A 62 0.713 15.884 20.965 1.00 0.03 H HETATM 1680 H11 UNN A 62 0.908 17.396 21.914 1.00 0.03 H HETATM 1681 H8 UNN A 62 3.107 16.567 21.216 1.00 0.03 H HETATM 1682 H9 UNN A 62 2.576 16.513 19.500 1.00 0.03 H HETATM 1683 C7 UNN A 62 4.418 18.676 19.935 1.00 -0.05 C HETATM 1684 C8 UNN A 62 5.391 18.065 20.953 1.00 -0.01 C HETATM 1685 C9 UNN A 62 6.881 18.057 20.539 1.00 0.13 C HETATM 1686 C10 UNN A 62 7.615 19.321 20.989 1.00 0.20 C HETATM 1687 N1 UNN A 62 8.718 19.627 20.329 1.00 -0.30 N HETATM 1688 H32 UNN A 62 9.240 20.442 20.579 1.00 0.18 H HETATM 1689 H33 UNN A 62 9.031 19.043 19.580 1.00 0.18 H HETATM 1690 O1 UNN A 62 7.227 19.961 21.939 1.00 -0.39 O HETATM 1691 N2 UNN A 62 7.085 17.656 19.096 1.00 -0.26 N HETATM 1692 C11 UNN A 62 7.344 16.563 18.895 1.00 0.20 C HETATM 1693 C12 UNN A 62 7.568 16.463 17.255 1.00 0.13 C HETATM 1694 C13 UNN A 62 6.256 16.509 16.590 1.00 -0.00 C HETATM 1695 C14 UNN A 62 6.417 16.258 15.093 1.00 0.00 C HETATM 1696 C15 UNN A 62 7.138 17.450 14.458 1.00 0.04 C HETATM 1697 O3 UNN A 62 8.176 17.250 13.829 1.00 -0.57 O HETATM 1698 O4 UNN A 62 6.693 18.567 14.528 1.00 -0.57 O HETATM 1699 H20 UNN A 62 5.426 16.139 14.631 1.00 0.04 H HETATM 1700 H21 UNN A 62 7.008 15.344 14.935 1.00 0.04 H HETATM 1701 H18 UNN A 62 5.804 17.499 16.746 1.00 0.03 H HETATM 1702 H19 UNN A 62 5.603 15.736 17.020 1.00 0.03 H HETATM 1703 N3 UNN A 62 8.355 15.137 16.765 1.00 -0.26 N HETATM 1704 C16 UNN A 62 9.482 14.926 17.444 1.00 0.21 C HETATM 1705 C17 UNN A 62 10.169 13.583 17.200 1.00 0.15 C HETATM 1706 C18 UNN A 62 9.810 12.618 18.357 1.00 0.04 C HETATM 1707 C19 UNN A 62 10.292 11.173 18.165 1.00 -0.00 C HETATM 1708 C20 UNN A 62 9.590 10.297 17.321 1.00 -0.02 C HETATM 1709 C21 UNN A 62 10.021 8.964 17.199 1.00 0.01 C HETATM 1710 C22 UNN A 62 11.138 8.511 17.925 1.00 0.17 C HETATM 1711 C23 UNN A 62 11.836 9.382 18.774 1.00 0.01 C HETATM 1712 C24 UNN A 62 11.428 10.721 18.867 1.00 -0.02 C HETATM 1713 H28 UNN A 62 11.990 11.413 19.483 1.00 0.07 H HETATM 1714 H27 UNN A 62 12.681 9.025 19.352 1.00 0.07 H HETATM 1715 O4P UNN A 62 11.588 7.180 17.784 1.00 -0.20 O HETATM 1716 P UNN A 62 12.456 6.853 16.545 1.00 0.13 P HETATM 1717 O3P UNN A 62 13.883 7.084 16.859 1.00 -0.67 O HETATM 1718 O2P UNN A 62 12.241 5.444 16.135 1.00 -0.67 O HETATM 1719 O1P UNN A 62 12.049 7.711 15.388 1.00 -0.67 O HETATM 1720 H26 UNN A 62 9.491 8.283 16.543 1.00 0.07 H HETATM 1721 H25 UNN A 62 8.724 10.645 16.769 1.00 0.07 H HETATM 1722 H23 UNN A 62 8.715 12.602 18.462 1.00 0.06 H HETATM 1723 H24 UNN A 62 10.261 13.009 19.281 1.00 0.06 H HETATM 1724 N4 UNN A 62 11.620 13.753 17.071 1.00 -0.26 N HETATM 1725 C25 UNN A 62 12.111 13.599 15.854 1.00 0.18 C HETATM 1726 C26 UNN A 62 13.613 13.862 15.738 1.00 0.03 C HETATM 1727 H29 UNN A 62 13.932 13.711 14.696 1.00 0.05 H HETATM 1728 H30 UNN A 62 14.159 13.167 16.393 1.00 0.05 H HETATM 1729 H31 UNN A 62 13.829 14.897 16.041 1.00 0.05 H HETATM 1730 O6 UNN A 62 11.419 13.216 14.915 1.00 -0.40 O HETATM 1731 H36 UNN A 62 12.201 13.972 17.855 1.00 0.19 H HETATM 1732 H22 UNN A 62 9.789 13.158 16.259 1.00 0.08 H HETATM 1733 O5 UNN A 62 9.949 15.727 18.241 1.00 -0.39 O HETATM 1734 H35 UNN A 62 8.030 14.540 16.031 1.00 0.19 H HETATM 1735 H17 UNN A 62 8.157 17.338 16.943 1.00 0.08 H HETATM 1736 O2 UNN A 62 7.386 15.729 19.642 1.00 -0.39 O HETATM 1737 H34 UNN A 62 6.997 18.318 18.352 1.00 0.19 H HETATM 1738 H16 UNN A 62 7.340 17.244 21.121 1.00 0.08 H HETATM 1739 H14 UNN A 62 5.084 17.023 21.130 1.00 0.03 H HETATM 1740 H15 UNN A 62 5.304 18.637 21.889 1.00 0.03 H HETATM 1741 H12 UNN A 62 4.626 19.754 19.869 1.00 0.03 H HETATM 1742 H13 UNN A 62 4.606 18.206 18.959 1.00 0.03 H HETATM 1743 H7 UNN A 62 2.761 19.005 21.236 1.00 0.03 H HETATM 1744 H5 UNN A 62 2.278 20.220 19.128 1.00 0.03 H HETATM 1745 H6 UNN A 62 2.080 18.648 18.282 1.00 0.03 H HETATM 1746 H3 UNN A 62 0.410 19.677 20.642 1.00 0.03 H HETATM 1747 H4 UNN A 62 -0.122 19.552 18.931 1.00 0.03 H HETATM 1748 H1 UNN A 62 0.022 17.127 19.000 1.00 0.03 H HETATM 1749 H2 UNN A 62 -0.959 17.686 20.397 1.00 0.03 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1673 1674 1678 1748 1749 CONECT 1674 1673 1675 1746 1747 CONECT 1675 1674 1676 1744 1745 CONECT 1676 1675 1677 1683 1743 CONECT 1677 1676 1678 1681 1682 CONECT 1678 1673 1677 1679 1680 CONECT 1679 1678 CONECT 1680 1678 CONECT 1681 1677 CONECT 1682 1677 CONECT 1683 1676 1684 1741 1742 CONECT 1684 1683 1685 1739 1740 CONECT 1685 1684 1686 1691 1738 CONECT 1686 1685 1687 1690 CONECT 1687 1686 1688 1689 CONECT 1688 1687 CONECT 1689 1687 CONECT 1690 1686 CONECT 1691 1685 1692 1737 CONECT 1692 1691 1693 1736 CONECT 1693 1692 1694 1703 1735 CONECT 1694 1693 1695 1701 1702 CONECT 1695 1694 1696 1699 1700 CONECT 1696 1695 1697 1698 CONECT 1697 1696 CONECT 1698 1696 CONECT 1699 1695 CONECT 1700 1695 CONECT 1701 1694 CONECT 1702 1694 CONECT 1703 1693 1704 1734 CONECT 1704 1703 1705 1733 CONECT 1705 1704 1706 1724 1732 CONECT 1706 1705 1707 1722 1723 CONECT 1707 1706 1708 1712 CONECT 1708 1707 1709 1721 CONECT 1709 1708 1710 1720 CONECT 1710 1709 1711 1715 CONECT 1711 1710 1712 1714 CONECT 1712 1707 1711 1713 CONECT 1713 1712 CONECT 1714 1711 CONECT 1715 1710 1716 CONECT 1716 1715 1717 1718 1719 CONECT 1717 1716 CONECT 1718 1716 CONECT 1719 1716 CONECT 1720 1709 CONECT 1721 1708 CONECT 1722 1706 CONECT 1723 1706 CONECT 1724 1705 1725 1731 CONECT 1725 1724 1726 1730 CONECT 1726 1725 1727 1728 1729 CONECT 1727 1726 CONECT 1728 1726 CONECT 1729 1726 CONECT 1730 1725 CONECT 1731 1724 CONECT 1732 1705 CONECT 1733 1704 CONECT 1734 1703 CONECT 1735 1693 CONECT 1736 1692 CONECT 1737 1691 CONECT 1738 1685 CONECT 1739 1684 CONECT 1740 1684 CONECT 1741 1683 CONECT 1742 1683 CONECT 1743 1676 CONECT 1744 1675 CONECT 1745 1675 CONECT 1746 1674 CONECT 1747 1674 CONECT 1748 1673 CONECT 1749 1673 MASTER 0 0 0 0 0 0 0 0 1748 1 81 8 END
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Structure:
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Related entries of code: 1bkm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1bkm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
pp60 v-src tyrosine kinase transforming protein
Ligand Name
1C5
EC.Number
E.C.2.7.1.112
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
IC50=1.8uM
Release Year
1997
Protein/NA Sequence
Check fasta file
Primary Reference
J.Am.Chem.Soc.v119;pp.12471
Ligand Properties
Formula
C
2
6
H
4
0
N
4
O
1
0
P
Molecular Weight
599.590
Exact Mass
599.248
No. of atoms
81
No. of bonds
82
Polar Surface Area
251.2
LOGP Value
2.16 (
Computed with XLOGP3
)
2.32 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 2
Canonical SMILES
OC(=O)CC[C@@H](C(=O)N[C@@H](C(=O)N)CCC1CCCCC1)NC(=O)[C@H](Cc1ccc(cc1)OP(O)(O)O)NC(=O)C
InChI String
InChI=1S/C26H41N4O10P/c1-16(31)28-22(15-18-7-10-19(11-8-18)40-41(37,38)39)26(36)30-21(13-14-23(32)33)25(35)29-20(24(27)34)12-9-17-5-3-2-4-6-17/h7-8,10-11,17,20-22,37-39,41H,2-6,9,12-15H2,1H3,(H2,27,34)(H,28,31)(H,29,35)(H,30,36)(H,32,33)/t20-,21+,22+/m1/s1
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Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00524
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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