Browse entries in the PDBbind-CN Database
HEADER 5LVF_COMPLEX COMPND 5LVF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 142 MET ALA PHE SER SER GLU GLN PHE THR THR LYS LEU ASN SEQRES 2 A 142 THR LEU GLU ASP SER GLN GLU SER ILE SER SER ALA SER SEQRES 3 A 142 LYS TRP LEU LEU LEU GLN TYR ARG ASP ALA PRO LYS VAL SEQRES 4 A 142 ALA GLU MET TRP LYS GLU TYR MET LEU ARG PRO SER VAL SEQRES 5 A 142 ASN THR ARG ARG LYS LEU LEU GLY LEU TYR LEU MET ASN SEQRES 6 A 142 HIS VAL VAL GLN GLN ALA LYS GLY GLN LYS ILE ILE GLN SEQRES 7 A 142 PHE GLN ASP SER PHE GLY LYS VAL ALA ALA GLU VAL LEU SEQRES 8 A 142 GLY ARG ILE ASN GLN GLU PHE PRO ARG ASP LEU LYS LYS SEQRES 9 A 142 LYS LEU SER ARG VAL VAL ASN ILE LEU LYS GLU ARG ASN SEQRES 10 A 142 ILE PHE SER LYS GLN VAL VAL ASN ASP ILE GLU ARG SER SEQRES 11 A 142 LEU ALA ALA ALA LEU GLU HIS HIS HIS HIS HIS HIS HET PRO A 143 223 ATOM 1 N MET A 1 11.764 10.988 -6.071 1.00 0.00 N ATOM 2 CA MET A 1 12.256 9.728 -5.482 1.00 0.00 C ATOM 3 C MET A 1 11.511 8.538 -6.077 1.00 0.00 C ATOM 4 O MET A 1 10.458 8.710 -6.680 1.00 0.00 O ATOM 5 CB MET A 1 12.119 9.745 -3.960 1.00 0.00 C ATOM 6 CG MET A 1 12.944 10.879 -3.349 1.00 0.00 C ATOM 7 SD MET A 1 12.812 11.013 -1.544 1.00 0.00 S ATOM 8 CE MET A 1 13.572 9.443 -1.057 1.00 0.00 C ATOM 9 HN3 MET A 1 10.748 11.089 -5.872 1.00 0.00 H ATOM 10 HN2 MET A 1 11.917 10.971 -7.100 1.00 0.00 H ATOM 11 HN1 MET A 1 12.281 11.789 -5.655 1.00 0.00 H ATOM 12 N ALA A 2 12.052 7.329 -5.912 1.00 0.00 N ATOM 13 CA ALA A 2 11.450 6.135 -6.485 1.00 0.00 C ATOM 14 C ALA A 2 10.166 5.752 -5.748 1.00 0.00 C ATOM 15 O ALA A 2 10.134 5.746 -4.520 1.00 0.00 O ATOM 16 CB ALA A 2 12.460 4.988 -6.441 1.00 0.00 C ATOM 17 H ALA A 2 12.928 7.238 -5.359 1.00 0.00 H ATOM 18 N PHE A 3 9.119 5.433 -6.517 1.00 0.00 N ATOM 19 CA PHE A 3 7.813 4.996 -6.030 1.00 0.00 C ATOM 20 C PHE A 3 7.220 5.907 -4.950 1.00 0.00 C ATOM 21 O PHE A 3 6.318 5.493 -4.223 1.00 0.00 O ATOM 22 CB PHE A 3 7.883 3.538 -5.562 1.00 0.00 C ATOM 23 CG PHE A 3 8.594 2.601 -6.521 1.00 0.00 C ATOM 24 CD1 PHE A 3 9.521 1.672 -6.027 1.00 0.00 C ATOM 25 CD2 PHE A 3 8.333 2.656 -7.899 1.00 0.00 C ATOM 26 CE1 PHE A 3 10.186 0.807 -6.905 1.00 0.00 C ATOM 27 CE2 PHE A 3 8.999 1.792 -8.777 1.00 0.00 C ATOM 28 CZ PHE A 3 9.930 0.868 -8.281 1.00 0.00 C ATOM 29 H PHE A 3 9.245 5.502 -7.547 1.00 0.00 H ATOM 30 N SER A 4 7.716 7.141 -4.838 1.00 0.00 N ATOM 31 CA SER A 4 7.221 8.107 -3.869 1.00 0.00 C ATOM 32 C SER A 4 5.880 8.666 -4.333 1.00 0.00 C ATOM 33 O SER A 4 5.469 8.444 -5.469 1.00 0.00 O ATOM 34 CB SER A 4 8.230 9.247 -3.748 1.00 0.00 C ATOM 35 OG SER A 4 8.289 9.924 -4.984 1.00 0.00 O ATOM 36 HG SER A 4 8.940 10.667 -4.921 1.00 0.00 H ATOM 37 H SER A 4 8.491 7.425 -5.471 1.00 0.00 H ATOM 38 N SER A 5 5.193 9.396 -3.453 1.00 0.00 N ATOM 39 CA SER A 5 3.977 10.106 -3.821 1.00 0.00 C ATOM 40 C SER A 5 4.347 11.400 -4.548 1.00 0.00 C ATOM 41 O SER A 5 3.752 12.447 -4.299 1.00 0.00 O ATOM 42 CB SER A 5 3.146 10.385 -2.565 1.00 0.00 C ATOM 43 OG SER A 5 3.860 11.252 -1.713 1.00 0.00 O ATOM 44 HG SER A 5 4.041 12.103 -2.186 1.00 0.00 H ATOM 45 H SER A 5 5.537 9.460 -2.474 1.00 0.00 H ATOM 46 N GLU A 6 5.333 11.334 -5.447 1.00 0.00 N ATOM 47 CA GLU A 6 5.908 12.520 -6.061 1.00 0.00 C ATOM 48 C GLU A 6 6.597 12.220 -7.392 1.00 0.00 C ATOM 49 O GLU A 6 6.713 13.125 -8.213 1.00 0.00 O ATOM 50 CB GLU A 6 6.876 13.137 -5.043 1.00 0.00 C ATOM 51 CG GLU A 6 8.091 13.856 -5.642 1.00 0.00 C ATOM 52 CD GLU A 6 9.253 12.897 -5.912 1.00 0.00 C ATOM 53 OE1 GLU A 6 9.896 13.039 -6.974 1.00 0.00 O ATOM 54 OE2 GLU A 6 9.495 12.021 -5.050 1.00 0.00 O ATOM 55 H GLU A 6 5.703 10.400 -5.718 1.00 0.00 H ATOM 56 N GLN A 7 7.056 10.988 -7.639 1.00 0.00 N ATOM 57 CA GLN A 7 7.756 10.694 -8.882 1.00 0.00 C ATOM 58 C GLN A 7 6.880 11.065 -10.075 1.00 0.00 C ATOM 59 O GLN A 7 7.244 11.931 -10.865 1.00 0.00 O ATOM 60 CB GLN A 7 8.258 9.249 -8.963 1.00 0.00 C ATOM 61 CG GLN A 7 7.566 8.263 -8.028 1.00 0.00 C ATOM 62 CD GLN A 7 6.167 7.966 -8.531 1.00 0.00 C ATOM 63 OE1 GLN A 7 5.207 8.649 -8.189 1.00 0.00 O ATOM 64 NE2 GLN A 7 6.045 6.934 -9.357 1.00 0.00 N ATOM 65 HE22 GLN A 7 6.883 6.379 -9.623 1.00 0.00 H ATOM 66 HE21 GLN A 7 5.111 6.680 -9.738 1.00 0.00 H ATOM 67 H GLN A 7 6.912 10.234 -6.938 1.00 0.00 H ATOM 68 N PHE A 8 5.725 10.411 -10.206 1.00 0.00 N ATOM 69 CA PHE A 8 4.770 10.691 -11.265 1.00 0.00 C ATOM 70 C PHE A 8 4.349 12.158 -11.233 1.00 0.00 C ATOM 71 O PHE A 8 4.088 12.763 -12.270 1.00 0.00 O ATOM 72 CB PHE A 8 3.541 9.807 -11.064 1.00 0.00 C ATOM 73 CG PHE A 8 2.432 10.133 -12.036 1.00 0.00 C ATOM 74 CD1 PHE A 8 2.419 9.545 -13.308 1.00 0.00 C ATOM 75 CD2 PHE A 8 1.417 11.028 -11.669 1.00 0.00 C ATOM 76 CE1 PHE A 8 1.390 9.842 -14.210 1.00 0.00 C ATOM 77 CE2 PHE A 8 0.390 11.328 -12.574 1.00 0.00 C ATOM 78 CZ PHE A 8 0.373 10.731 -13.842 1.00 0.00 C ATOM 79 H PHE A 8 5.497 9.665 -9.518 1.00 0.00 H ATOM 80 N THR A 9 4.285 12.731 -10.033 1.00 0.00 N ATOM 81 CA THR A 9 3.830 14.096 -9.855 1.00 0.00 C ATOM 82 C THR A 9 4.825 15.046 -10.518 1.00 0.00 C ATOM 83 O THR A 9 4.437 15.967 -11.241 1.00 0.00 O ATOM 84 CB THR A 9 3.676 14.364 -8.357 1.00 0.00 C ATOM 85 OG1 THR A 9 3.027 13.275 -7.740 1.00 0.00 O ATOM 86 CG2 THR A 9 2.844 15.612 -8.087 1.00 0.00 C ATOM 87 HG1 THR A 9 2.931 13.455 -6.771 1.00 0.00 H ATOM 88 H THR A 9 4.570 12.182 -9.197 1.00 0.00 H ATOM 89 N THR A 10 6.124 14.830 -10.276 1.00 0.00 N ATOM 90 CA THR A 10 7.131 15.682 -10.881 1.00 0.00 C ATOM 91 C THR A 10 7.087 15.548 -12.398 1.00 0.00 C ATOM 92 O THR A 10 7.402 16.509 -13.094 1.00 0.00 O ATOM 93 CB THR A 10 8.520 15.382 -10.320 1.00 0.00 C ATOM 94 OG1 THR A 10 9.226 16.597 -10.227 1.00 0.00 O ATOM 95 CG2 THR A 10 9.333 14.453 -11.218 1.00 0.00 C ATOM 96 HG1 THR A 10 10.131 16.425 -9.865 1.00 0.00 H ATOM 97 H THR A 10 6.412 14.049 -9.652 1.00 0.00 H ATOM 98 N LYS A 11 6.701 14.368 -12.910 1.00 0.00 N ATOM 99 CA LYS A 11 6.539 14.178 -14.346 1.00 0.00 C ATOM 100 C LYS A 11 5.520 15.175 -14.879 1.00 0.00 C ATOM 101 O LYS A 11 5.791 15.827 -15.882 1.00 0.00 O ATOM 102 CB LYS A 11 6.084 12.759 -14.690 1.00 0.00 C ATOM 103 CG LYS A 11 6.966 11.676 -14.077 1.00 0.00 C ATOM 104 CD LYS A 11 8.458 11.876 -14.332 1.00 0.00 C ATOM 105 CE LYS A 11 9.210 10.801 -13.550 1.00 0.00 C ATOM 106 NZ LYS A 11 10.667 10.936 -13.718 1.00 0.00 N ATOM 107 HZ1 LYS A 11 10.909 10.843 -14.725 1.00 0.00 H ATOM 108 HZ2 LYS A 11 10.970 11.869 -13.373 1.00 0.00 H ATOM 109 HZ3 LYS A 11 11.148 10.191 -13.174 1.00 0.00 H ATOM 110 H LYS A 11 6.513 13.572 -12.268 1.00 0.00 H ATOM 111 N LEU A 12 4.365 15.290 -14.211 1.00 0.00 N ATOM 112 CA LEU A 12 3.315 16.219 -14.613 1.00 0.00 C ATOM 113 C LEU A 12 3.870 17.631 -14.747 1.00 0.00 C ATOM 114 O LEU A 12 3.509 18.363 -15.666 1.00 0.00 O ATOM 115 CB LEU A 12 2.203 16.258 -13.562 1.00 0.00 C ATOM 116 CG LEU A 12 1.572 14.894 -13.284 1.00 0.00 C ATOM 117 CD1 LEU A 12 0.599 15.055 -12.120 1.00 0.00 C ATOM 118 CD2 LEU A 12 0.841 14.381 -14.520 1.00 0.00 C ATOM 119 H LEU A 12 4.211 14.694 -13.373 1.00 0.00 H ATOM 120 N ASN A 13 4.754 18.008 -13.818 1.00 0.00 N ATOM 121 CA ASN A 13 5.352 19.336 -13.835 1.00 0.00 C ATOM 122 C ASN A 13 6.442 19.494 -14.896 1.00 0.00 C ATOM 123 O ASN A 13 7.021 20.574 -14.999 1.00 0.00 O ATOM 124 CB ASN A 13 5.876 19.685 -12.446 1.00 0.00 C ATOM 125 CG ASN A 13 4.761 19.588 -11.419 1.00 0.00 C ATOM 126 OD1 ASN A 13 3.822 20.379 -11.429 1.00 0.00 O ATOM 127 ND2 ASN A 13 4.866 18.608 -10.528 1.00 0.00 N ATOM 128 HD22 ASN A 13 5.680 17.962 -10.559 1.00 0.00 H ATOM 129 HD21 ASN A 13 4.134 18.487 -9.799 1.00 0.00 H ATOM 130 H ASN A 13 5.020 17.339 -13.067 1.00 0.00 H ATOM 131 N THR A 14 6.735 18.449 -15.682 1.00 0.00 N ATOM 132 CA THR A 14 7.713 18.550 -16.759 1.00 0.00 C ATOM 133 C THR A 14 7.215 17.964 -18.084 1.00 0.00 C ATOM 134 O THR A 14 8.018 17.736 -18.989 1.00 0.00 O ATOM 135 CB THR A 14 9.051 17.941 -16.330 1.00 0.00 C ATOM 136 OG1 THR A 14 10.013 18.188 -17.328 1.00 0.00 O ATOM 137 CG2 THR A 14 8.950 16.431 -16.125 1.00 0.00 C ATOM 138 HG1 THR A 14 9.717 17.777 -18.179 1.00 0.00 H ATOM 139 H THR A 14 6.252 17.542 -15.520 1.00 0.00 H ATOM 140 N LEU A 15 5.908 17.714 -18.220 1.00 0.00 N ATOM 141 CA LEU A 15 5.351 17.208 -19.468 1.00 0.00 C ATOM 142 C LEU A 15 5.345 18.276 -20.561 1.00 0.00 C ATOM 143 O LEU A 15 5.500 19.463 -20.287 1.00 0.00 O ATOM 144 CB LEU A 15 3.909 16.739 -19.262 1.00 0.00 C ATOM 145 CG LEU A 15 3.742 15.608 -18.252 1.00 0.00 C ATOM 146 CD1 LEU A 15 2.268 15.204 -18.216 1.00 0.00 C ATOM 147 CD2 LEU A 15 4.588 14.391 -18.624 1.00 0.00 C ATOM 148 H LEU A 15 5.273 17.885 -17.414 1.00 0.00 H ATOM 149 N GLU A 16 5.159 17.832 -21.811 1.00 0.00 N ATOM 150 CA GLU A 16 4.925 18.704 -22.948 1.00 0.00 C ATOM 151 C GLU A 16 3.866 18.046 -23.815 1.00 0.00 C ATOM 152 O GLU A 16 3.795 16.821 -23.874 1.00 0.00 O ATOM 153 CB GLU A 16 6.227 18.939 -23.706 1.00 0.00 C ATOM 154 CG GLU A 16 6.244 20.286 -24.439 1.00 0.00 C ATOM 155 CD GLU A 16 5.551 20.230 -25.801 1.00 0.00 C ATOM 156 OE1 GLU A 16 5.473 19.114 -26.355 1.00 0.00 O ATOM 157 OE2 GLU A 16 5.107 21.299 -26.277 1.00 0.00 O ATOM 158 H GLU A 16 5.184 16.806 -21.976 1.00 0.00 H ATOM 159 N ASP A 17 3.047 18.855 -24.484 1.00 0.00 N ATOM 160 CA ASP A 17 1.871 18.364 -25.171 1.00 0.00 C ATOM 161 C ASP A 17 2.215 17.671 -26.496 1.00 0.00 C ATOM 162 O ASP A 17 1.453 17.750 -27.459 1.00 0.00 O ATOM 163 CB ASP A 17 0.796 19.457 -25.327 1.00 0.00 C ATOM 164 CG ASP A 17 0.981 20.721 -24.475 1.00 0.00 C ATOM 165 OD1 ASP A 17 -0.029 21.173 -23.892 1.00 0.00 O ATOM 166 OD2 ASP A 17 2.117 21.233 -24.406 1.00 0.00 O ATOM 167 H ASP A 17 3.259 19.873 -24.514 1.00 0.00 H ATOM 168 N SER A 18 3.362 16.986 -26.563 1.00 0.00 N ATOM 169 CA SER A 18 3.838 16.378 -27.799 1.00 0.00 C ATOM 170 C SER A 18 3.992 14.876 -27.663 1.00 0.00 C ATOM 171 O SER A 18 4.119 14.335 -26.565 1.00 0.00 O ATOM 172 CB SER A 18 5.135 17.016 -28.280 1.00 0.00 C ATOM 173 OG SER A 18 6.114 16.950 -27.272 1.00 0.00 O ATOM 174 HG SER A 18 5.793 17.433 -26.470 1.00 0.00 H ATOM 175 H SER A 18 3.935 16.884 -25.701 1.00 0.00 H ATOM 176 N GLN A 19 3.978 14.216 -28.822 1.00 0.00 N ATOM 177 CA GLN A 19 3.929 12.773 -28.906 1.00 0.00 C ATOM 178 C GLN A 19 5.066 12.115 -28.131 1.00 0.00 C ATOM 179 O GLN A 19 4.822 11.150 -27.412 1.00 0.00 O ATOM 180 CB GLN A 19 3.949 12.368 -30.382 1.00 0.00 C ATOM 181 CG GLN A 19 3.777 10.859 -30.546 1.00 0.00 C ATOM 182 CD GLN A 19 2.393 10.392 -30.106 1.00 0.00 C ATOM 183 OE1 GLN A 19 1.454 11.177 -30.015 1.00 0.00 O ATOM 184 NE2 GLN A 19 2.254 9.098 -29.827 1.00 0.00 N ATOM 185 HE22 GLN A 19 3.068 8.457 -29.913 1.00 0.00 H ATOM 186 HE21 GLN A 19 1.331 8.728 -29.523 1.00 0.00 H ATOM 187 H GLN A 19 4.003 14.764 -29.706 1.00 0.00 H ATOM 188 N GLU A 20 6.300 12.615 -28.263 1.00 0.00 N ATOM 189 CA GLU A 20 7.416 11.970 -27.593 1.00 0.00 C ATOM 190 C GLU A 20 7.516 12.359 -26.122 1.00 0.00 C ATOM 191 O GLU A 20 7.876 11.528 -25.296 1.00 0.00 O ATOM 192 CB GLU A 20 8.728 12.258 -28.317 1.00 0.00 C ATOM 193 CG GLU A 20 9.875 11.468 -27.669 1.00 0.00 C ATOM 194 CD GLU A 20 9.488 10.025 -27.323 1.00 0.00 C ATOM 195 OE1 GLU A 20 9.818 9.598 -26.193 1.00 0.00 O ATOM 196 OE2 GLU A 20 8.869 9.367 -28.186 1.00 0.00 O ATOM 197 H GLU A 20 6.460 13.463 -28.844 1.00 0.00 H ATOM 198 N SER A 21 7.206 13.612 -25.777 1.00 0.00 N ATOM 199 CA SER A 21 7.257 14.018 -24.382 1.00 0.00 C ATOM 200 C SER A 21 6.281 13.160 -23.588 1.00 0.00 C ATOM 201 O SER A 21 6.598 12.689 -22.496 1.00 0.00 O ATOM 202 CB SER A 21 6.895 15.493 -24.245 1.00 0.00 C ATOM 203 OG SER A 21 7.752 16.270 -25.052 1.00 0.00 O ATOM 204 HG SER A 21 7.653 15.994 -25.998 1.00 0.00 H ATOM 205 H SER A 21 6.928 14.298 -26.508 1.00 0.00 H ATOM 206 N ILE A 22 5.087 12.963 -24.156 1.00 0.00 N ATOM 207 CA ILE A 22 4.077 12.116 -23.557 1.00 0.00 C ATOM 208 C ILE A 22 4.509 10.652 -23.633 1.00 0.00 C ATOM 209 O ILE A 22 4.282 9.902 -22.688 1.00 0.00 O ATOM 210 CB ILE A 22 2.743 12.341 -24.284 1.00 0.00 C ATOM 211 CG1 ILE A 22 2.218 13.766 -24.067 1.00 0.00 C ATOM 212 CG2 ILE A 22 1.717 11.317 -23.805 1.00 0.00 C ATOM 213 CD1 ILE A 22 1.894 14.090 -22.605 1.00 0.00 C ATOM 214 H ILE A 22 4.876 13.434 -25.059 1.00 0.00 H ATOM 215 N SER A 23 5.129 10.234 -24.744 1.00 0.00 N ATOM 216 CA SER A 23 5.559 8.853 -24.923 1.00 0.00 C ATOM 217 C SER A 23 6.639 8.464 -23.920 1.00 0.00 C ATOM 218 O SER A 23 6.598 7.360 -23.377 1.00 0.00 O ATOM 219 CB SER A 23 6.076 8.671 -26.351 1.00 0.00 C ATOM 220 OG SER A 23 6.601 7.371 -26.534 1.00 0.00 O ATOM 221 HG SER A 23 6.929 7.277 -27.463 1.00 0.00 H ATOM 222 H SER A 23 5.310 10.919 -25.506 1.00 0.00 H ATOM 223 N SER A 24 7.609 9.345 -23.660 1.00 0.00 N ATOM 224 CA SER A 24 8.672 9.073 -22.700 1.00 0.00 C ATOM 225 C SER A 24 8.097 9.023 -21.287 1.00 0.00 C ATOM 226 O SER A 24 8.456 8.150 -20.498 1.00 0.00 O ATOM 227 CB SER A 24 9.752 10.146 -22.813 1.00 0.00 C ATOM 228 OG SER A 24 10.637 9.827 -23.867 1.00 0.00 O ATOM 229 HG SER A 24 10.132 9.780 -24.717 1.00 0.00 H ATOM 230 H SER A 24 7.606 10.257 -24.160 1.00 0.00 H ATOM 231 N ALA A 25 7.201 9.961 -20.965 1.00 0.00 N ATOM 232 CA ALA A 25 6.545 9.977 -19.671 1.00 0.00 C ATOM 233 C ALA A 25 5.628 8.764 -19.519 1.00 0.00 C ATOM 234 O ALA A 25 5.482 8.234 -18.418 1.00 0.00 O ATOM 235 CB ALA A 25 5.764 11.286 -19.559 1.00 0.00 C ATOM 236 H ALA A 25 6.968 10.699 -21.660 1.00 0.00 H ATOM 237 N SER A 26 5.011 8.324 -20.621 1.00 0.00 N ATOM 238 CA SER A 26 4.108 7.187 -20.622 1.00 0.00 C ATOM 239 C SER A 26 4.877 5.882 -20.460 1.00 0.00 C ATOM 240 O SER A 26 4.549 5.091 -19.580 1.00 0.00 O ATOM 241 CB SER A 26 3.300 7.184 -21.920 1.00 0.00 C ATOM 242 OG SER A 26 2.486 6.033 -21.990 1.00 0.00 O ATOM 243 HG SER A 26 1.970 6.046 -22.835 1.00 0.00 H ATOM 244 H SER A 26 5.186 8.819 -21.519 1.00 0.00 H ATOM 245 N LYS A 27 5.894 5.647 -21.299 1.00 0.00 N ATOM 246 CA LYS A 27 6.642 4.394 -21.245 1.00 0.00 C ATOM 247 C LYS A 27 7.273 4.195 -19.871 1.00 0.00 C ATOM 248 O LYS A 27 7.305 3.072 -19.372 1.00 0.00 O ATOM 249 CB LYS A 27 7.682 4.324 -22.372 1.00 0.00 C ATOM 250 CG LYS A 27 8.824 5.333 -22.209 1.00 0.00 C ATOM 251 CD LYS A 27 9.894 5.168 -23.291 1.00 0.00 C ATOM 252 CE LYS A 27 9.306 5.300 -24.693 1.00 0.00 C ATOM 253 NZ LYS A 27 8.851 6.674 -24.973 1.00 0.00 N ATOM 254 HZ1 LYS A 27 8.118 6.942 -24.286 1.00 0.00 H ATOM 255 HZ2 LYS A 27 9.656 7.327 -24.895 1.00 0.00 H ATOM 256 HZ3 LYS A 27 8.459 6.719 -25.935 1.00 0.00 H ATOM 257 H LYS A 27 6.155 6.369 -22.001 1.00 0.00 H ATOM 258 N TRP A 28 7.774 5.269 -19.256 1.00 0.00 N ATOM 259 CA TRP A 28 8.306 5.172 -17.909 1.00 0.00 C ATOM 260 C TRP A 28 7.200 4.767 -16.940 1.00 0.00 C ATOM 261 O TRP A 28 7.310 3.765 -16.228 1.00 0.00 O ATOM 262 CB TRP A 28 8.913 6.511 -17.496 1.00 0.00 C ATOM 263 CG TRP A 28 9.171 6.623 -16.027 1.00 0.00 C ATOM 264 CD1 TRP A 28 10.267 6.167 -15.391 1.00 0.00 C ATOM 265 CD2 TRP A 28 8.329 7.211 -14.990 1.00 0.00 C ATOM 266 NE1 TRP A 28 10.166 6.426 -14.040 1.00 0.00 N ATOM 267 CE2 TRP A 28 8.979 7.055 -13.735 1.00 0.00 C ATOM 268 CE3 TRP A 28 7.068 7.834 -14.980 1.00 0.00 C ATOM 269 CZ2 TRP A 28 8.397 7.466 -12.531 1.00 0.00 C ATOM 270 CZ3 TRP A 28 6.470 8.247 -13.780 1.00 0.00 C ATOM 271 CH2 TRP A 28 7.128 8.056 -12.559 1.00 0.00 C ATOM 272 HE1 TRP A 28 10.894 6.178 -13.340 1.00 0.00 H ATOM 273 H TRP A 28 7.783 6.185 -19.748 1.00 0.00 H ATOM 274 N LEU A 29 6.120 5.548 -16.905 1.00 0.00 N ATOM 275 CA LEU A 29 5.064 5.284 -15.950 1.00 0.00 C ATOM 276 C LEU A 29 4.541 3.861 -16.150 1.00 0.00 C ATOM 277 O LEU A 29 4.186 3.182 -15.189 1.00 0.00 O ATOM 278 CB LEU A 29 3.982 6.354 -16.144 1.00 0.00 C ATOM 279 CG LEU A 29 2.798 6.284 -15.176 1.00 0.00 C ATOM 280 CD1 LEU A 29 1.748 5.276 -15.639 1.00 0.00 C ATOM 281 CD2 LEU A 29 3.244 5.970 -13.747 1.00 0.00 C ATOM 282 H LEU A 29 6.036 6.348 -17.564 1.00 0.00 H ATOM 283 N LEU A 30 4.497 3.417 -17.406 1.00 0.00 N ATOM 284 CA LEU A 30 4.085 2.076 -17.774 1.00 0.00 C ATOM 285 C LEU A 30 5.007 1.022 -17.159 1.00 0.00 C ATOM 286 O LEU A 30 4.538 -0.057 -16.804 1.00 0.00 O ATOM 287 CB LEU A 30 4.128 1.967 -19.298 1.00 0.00 C ATOM 288 CG LEU A 30 2.858 2.496 -19.973 1.00 0.00 C ATOM 289 CD1 LEU A 30 3.083 2.621 -21.478 1.00 0.00 C ATOM 290 CD2 LEU A 30 1.672 1.562 -19.747 1.00 0.00 C ATOM 291 H LEU A 30 4.774 4.070 -18.166 1.00 0.00 H ATOM 292 N LEU A 31 6.305 1.317 -17.026 1.00 0.00 N ATOM 293 CA LEU A 31 7.237 0.391 -16.395 1.00 0.00 C ATOM 294 C LEU A 31 6.884 0.187 -14.925 1.00 0.00 C ATOM 295 O LEU A 31 7.030 -0.926 -14.421 1.00 0.00 O ATOM 296 CB LEU A 31 8.679 0.897 -16.525 1.00 0.00 C ATOM 297 CG LEU A 31 9.214 0.759 -17.954 1.00 0.00 C ATOM 298 CD1 LEU A 31 10.555 1.482 -18.054 1.00 0.00 C ATOM 299 CD2 LEU A 31 9.427 -0.712 -18.322 1.00 0.00 C ATOM 300 H LEU A 31 6.657 2.229 -17.381 1.00 0.00 H ATOM 301 N GLN A 32 6.423 1.232 -14.228 1.00 0.00 N ATOM 302 CA GLN A 32 5.993 1.054 -12.839 1.00 0.00 C ATOM 303 C GLN A 32 4.478 0.958 -12.707 1.00 0.00 C ATOM 304 O GLN A 32 3.857 1.745 -11.995 1.00 0.00 O ATOM 305 CB GLN A 32 6.598 2.100 -11.900 1.00 0.00 C ATOM 306 CG GLN A 32 6.480 3.531 -12.414 1.00 0.00 C ATOM 307 CD GLN A 32 7.874 4.095 -12.618 1.00 0.00 C ATOM 308 OE1 GLN A 32 8.541 4.506 -11.675 1.00 0.00 O ATOM 309 NE2 GLN A 32 8.318 4.110 -13.868 1.00 0.00 N ATOM 310 HE22 GLN A 32 7.718 3.751 -14.637 1.00 0.00 H ATOM 311 HE21 GLN A 32 9.267 4.481 -14.078 1.00 0.00 H ATOM 312 H GLN A 32 6.370 2.171 -14.672 1.00 0.00 H ATOM 313 N TYR A 33 3.874 -0.014 -13.398 1.00 0.00 N ATOM 314 CA TYR A 33 2.446 -0.268 -13.285 1.00 0.00 C ATOM 315 C TYR A 33 2.040 -0.638 -11.858 1.00 0.00 C ATOM 316 O TYR A 33 0.856 -0.629 -11.530 1.00 0.00 O ATOM 317 CB TYR A 33 2.037 -1.351 -14.281 1.00 0.00 C ATOM 318 CG TYR A 33 2.302 -2.765 -13.816 1.00 0.00 C ATOM 319 CD1 TYR A 33 1.273 -3.481 -13.192 1.00 0.00 C ATOM 320 CD2 TYR A 33 3.559 -3.355 -14.009 1.00 0.00 C ATOM 321 CE1 TYR A 33 1.485 -4.797 -12.766 1.00 0.00 C ATOM 322 CE2 TYR A 33 3.785 -4.671 -13.577 1.00 0.00 C ATOM 323 CZ TYR A 33 2.747 -5.396 -12.955 1.00 0.00 C ATOM 324 OH TYR A 33 2.966 -6.674 -12.539 1.00 0.00 O ATOM 325 HH TYR A 33 2.140 -7.032 -12.128 1.00 0.00 H ATOM 326 H TYR A 33 4.442 -0.607 -14.036 1.00 0.00 H ATOM 327 N ARG A 34 3.017 -0.964 -11.008 1.00 0.00 N ATOM 328 CA ARG A 34 2.789 -1.224 -9.596 1.00 0.00 C ATOM 329 C ARG A 34 2.124 -0.016 -8.948 1.00 0.00 C ATOM 330 O ARG A 34 1.291 -0.162 -8.058 1.00 0.00 O ATOM 331 CB ARG A 34 4.142 -1.448 -8.926 1.00 0.00 C ATOM 332 CG ARG A 34 4.846 -2.687 -9.473 1.00 0.00 C ATOM 333 CD ARG A 34 6.320 -2.657 -9.075 1.00 0.00 C ATOM 334 NE ARG A 34 6.499 -2.634 -7.618 1.00 0.00 N ATOM 335 CZ ARG A 34 6.707 -1.525 -6.894 1.00 0.00 C ATOM 336 NH1 ARG A 34 6.754 -0.321 -7.466 1.00 0.00 N ATOM 337 NH2 ARG A 34 6.869 -1.620 -5.576 1.00 0.00 N ATOM 338 HE ARG A 34 6.462 -3.542 -7.112 1.00 0.00 H ATOM 339 HH12 ARG A 34 6.917 0.525 -6.884 1.00 0.00 H ATOM 340 HH11 ARG A 34 6.628 -0.228 -8.494 1.00 0.00 H ATOM 341 HH22 ARG A 34 7.031 -0.763 -5.009 1.00 0.00 H ATOM 342 HH21 ARG A 34 6.834 -2.551 -5.114 1.00 0.00 H ATOM 343 H ARG A 34 3.988 -1.035 -11.374 1.00 0.00 H ATOM 344 N ASP A 35 2.507 1.175 -9.410 1.00 0.00 N ATOM 345 CA ASP A 35 2.028 2.436 -8.872 1.00 0.00 C ATOM 346 C ASP A 35 0.688 2.849 -9.485 1.00 0.00 C ATOM 347 O ASP A 35 0.153 3.891 -9.120 1.00 0.00 O ATOM 348 CB ASP A 35 3.079 3.531 -9.092 1.00 0.00 C ATOM 349 CG ASP A 35 4.495 3.147 -8.655 1.00 0.00 C ATOM 350 OD1 ASP A 35 4.655 2.090 -8.007 1.00 0.00 O ATOM 351 OD2 ASP A 35 5.406 3.936 -8.986 1.00 0.00 O ATOM 352 H ASP A 35 3.185 1.202 -10.198 1.00 0.00 H ATOM 353 N ALA A 36 0.147 2.048 -10.407 1.00 0.00 N ATOM 354 CA ALA A 36 -1.063 2.374 -11.144 1.00 0.00 C ATOM 355 C ALA A 36 -2.186 2.968 -10.285 1.00 0.00 C ATOM 356 O ALA A 36 -2.702 4.022 -10.650 1.00 0.00 O ATOM 357 CB ALA A 36 -1.552 1.120 -11.869 1.00 0.00 C ATOM 358 H ALA A 36 0.617 1.142 -10.608 1.00 0.00 H ATOM 359 N PRO A 37 -2.592 2.349 -9.166 1.00 0.00 N ATOM 360 CA PRO A 37 -3.693 2.866 -8.368 1.00 0.00 C ATOM 361 C PRO A 37 -3.313 4.163 -7.660 1.00 0.00 C ATOM 362 O PRO A 37 -4.131 5.078 -7.558 1.00 0.00 O ATOM 363 CB PRO A 37 -4.013 1.758 -7.366 1.00 0.00 C ATOM 364 CG PRO A 37 -2.675 1.047 -7.186 1.00 0.00 C ATOM 365 CD PRO A 37 -2.060 1.129 -8.580 1.00 0.00 C ATOM 366 N LYS A 38 -2.074 4.249 -7.168 1.00 0.00 N ATOM 367 CA LYS A 38 -1.603 5.421 -6.454 1.00 0.00 C ATOM 368 C LYS A 38 -1.485 6.601 -7.406 1.00 0.00 C ATOM 369 O LYS A 38 -1.987 7.685 -7.121 1.00 0.00 O ATOM 370 CB LYS A 38 -0.250 5.089 -5.820 1.00 0.00 C ATOM 371 CG LYS A 38 0.438 6.324 -5.222 1.00 0.00 C ATOM 372 CD LYS A 38 -0.466 7.123 -4.278 1.00 0.00 C ATOM 373 CE LYS A 38 -0.985 6.250 -3.137 1.00 0.00 C ATOM 374 NZ LYS A 38 -1.850 7.031 -2.233 1.00 0.00 N ATOM 375 HZ1 LYS A 38 -1.306 7.821 -1.831 1.00 0.00 H ATOM 376 HZ2 LYS A 38 -2.661 7.403 -2.767 1.00 0.00 H ATOM 377 HZ3 LYS A 38 -2.191 6.417 -1.466 1.00 0.00 H ATOM 378 H LYS A 38 -1.424 3.448 -7.301 1.00 0.00 H ATOM 379 N VAL A 39 -0.818 6.385 -8.539 1.00 0.00 N ATOM 380 CA VAL A 39 -0.631 7.419 -9.540 1.00 0.00 C ATOM 381 C VAL A 39 -1.976 7.911 -10.054 1.00 0.00 C ATOM 382 O VAL A 39 -2.117 9.101 -10.320 1.00 0.00 O ATOM 383 CB VAL A 39 0.257 6.876 -10.665 1.00 0.00 C ATOM 384 CG1 VAL A 39 0.124 7.739 -11.914 1.00 0.00 C ATOM 385 CG2 VAL A 39 1.702 6.865 -10.170 1.00 0.00 C ATOM 386 H VAL A 39 -0.417 5.441 -8.712 1.00 0.00 H ATOM 387 N ALA A 40 -2.964 7.024 -10.201 1.00 0.00 N ATOM 388 CA ALA A 40 -4.286 7.448 -10.626 1.00 0.00 C ATOM 389 C ALA A 40 -4.872 8.424 -9.608 1.00 0.00 C ATOM 390 O ALA A 40 -5.470 9.428 -9.990 1.00 0.00 O ATOM 391 CB ALA A 40 -5.176 6.218 -10.794 1.00 0.00 C ATOM 392 H ALA A 40 -2.784 6.018 -10.009 1.00 0.00 H ATOM 393 N GLU A 41 -4.705 8.137 -8.313 1.00 0.00 N ATOM 394 CA GLU A 41 -5.207 9.016 -7.271 1.00 0.00 C ATOM 395 C GLU A 41 -4.459 10.350 -7.267 1.00 0.00 C ATOM 396 O GLU A 41 -5.089 11.406 -7.299 1.00 0.00 O ATOM 397 CB GLU A 41 -5.111 8.302 -5.920 1.00 0.00 C ATOM 398 CG GLU A 41 -5.589 9.183 -4.762 1.00 0.00 C ATOM 399 CD GLU A 41 -7.036 9.649 -4.930 1.00 0.00 C ATOM 400 OE1 GLU A 41 -7.411 10.607 -4.224 1.00 0.00 O ATOM 401 OE2 GLU A 41 -7.763 9.054 -5.756 1.00 0.00 O ATOM 402 H GLU A 41 -4.205 7.265 -8.046 1.00 0.00 H ATOM 403 N MET A 42 -3.122 10.314 -7.229 1.00 0.00 N ATOM 404 CA MET A 42 -2.328 11.536 -7.228 1.00 0.00 C ATOM 405 C MET A 42 -2.598 12.347 -8.486 1.00 0.00 C ATOM 406 O MET A 42 -2.629 13.574 -8.438 1.00 0.00 O ATOM 407 CB MET A 42 -0.838 11.207 -7.167 1.00 0.00 C ATOM 408 CG MET A 42 -0.493 10.395 -5.924 1.00 0.00 C ATOM 409 SD MET A 42 1.273 10.386 -5.542 1.00 0.00 S ATOM 410 CE MET A 42 1.956 9.732 -7.091 1.00 0.00 C ATOM 411 H MET A 42 -2.639 9.394 -7.200 1.00 0.00 H ATOM 412 N TRP A 43 -2.795 11.659 -9.614 1.00 0.00 N ATOM 413 CA TRP A 43 -3.085 12.323 -10.868 1.00 0.00 C ATOM 414 C TRP A 43 -4.355 13.143 -10.737 1.00 0.00 C ATOM 415 O TRP A 43 -4.346 14.333 -11.041 1.00 0.00 O ATOM 416 CB TRP A 43 -3.195 11.296 -11.993 1.00 0.00 C ATOM 417 CG TRP A 43 -3.576 11.872 -13.318 1.00 0.00 C ATOM 418 CD1 TRP A 43 -2.737 12.524 -14.150 1.00 0.00 C ATOM 419 CD2 TRP A 43 -4.874 11.874 -13.982 1.00 0.00 C ATOM 420 NE1 TRP A 43 -3.420 12.928 -15.278 1.00 0.00 N ATOM 421 CE2 TRP A 43 -4.753 12.581 -15.210 1.00 0.00 C ATOM 422 CE3 TRP A 43 -6.143 11.358 -13.664 1.00 0.00 C ATOM 423 CZ2 TRP A 43 -5.835 12.792 -16.066 1.00 0.00 C ATOM 424 CZ3 TRP A 43 -7.233 11.540 -14.528 1.00 0.00 C ATOM 425 CH2 TRP A 43 -7.082 12.258 -15.721 1.00 0.00 C ATOM 426 HE1 TRP A 43 -2.985 13.430 -16.078 1.00 0.00 H ATOM 427 H TRP A 43 -2.739 10.621 -9.591 1.00 0.00 H ATOM 428 N LYS A 44 -5.452 12.525 -10.288 1.00 0.00 N ATOM 429 CA LYS A 44 -6.703 13.247 -10.126 1.00 0.00 C ATOM 430 C LYS A 44 -6.538 14.420 -9.170 1.00 0.00 C ATOM 431 O LYS A 44 -6.880 15.542 -9.527 1.00 0.00 O ATOM 432 CB LYS A 44 -7.792 12.295 -9.660 1.00 0.00 C ATOM 433 CG LYS A 44 -8.887 13.044 -8.900 1.00 0.00 C ATOM 434 CD LYS A 44 -10.038 12.098 -8.570 1.00 0.00 C ATOM 435 CE LYS A 44 -9.560 10.885 -7.773 1.00 0.00 C ATOM 436 NZ LYS A 44 -9.304 11.220 -6.360 1.00 0.00 N ATOM 437 HZ1 LYS A 44 -8.570 11.955 -6.307 1.00 0.00 H ATOM 438 HZ2 LYS A 44 -10.180 11.572 -5.924 1.00 0.00 H ATOM 439 HZ3 LYS A 44 -8.982 10.369 -5.856 1.00 0.00 H ATOM 440 H LYS A 44 -5.410 11.513 -10.051 1.00 0.00 H ATOM 441 N GLU A 45 -6.021 14.170 -7.967 1.00 0.00 N ATOM 442 CA GLU A 45 -5.870 15.234 -6.985 1.00 0.00 C ATOM 443 C GLU A 45 -5.047 16.390 -7.543 1.00 0.00 C ATOM 444 O GLU A 45 -5.349 17.547 -7.258 1.00 0.00 O ATOM 445 CB GLU A 45 -5.252 14.675 -5.705 1.00 0.00 C ATOM 446 CG GLU A 45 -6.208 13.672 -5.053 1.00 0.00 C ATOM 447 CD GLU A 45 -7.621 14.232 -4.937 1.00 0.00 C ATOM 448 OE1 GLU A 45 -8.550 13.534 -5.398 1.00 0.00 O ATOM 449 OE2 GLU A 45 -7.754 15.349 -4.392 1.00 0.00 O ATOM 450 H GLU A 45 -5.722 13.203 -7.727 1.00 0.00 H ATOM 451 N TYR A 46 -4.010 16.093 -8.333 1.00 0.00 N ATOM 452 CA TYR A 46 -3.196 17.132 -8.942 1.00 0.00 C ATOM 453 C TYR A 46 -4.011 17.949 -9.942 1.00 0.00 C ATOM 454 O TYR A 46 -3.819 19.157 -10.041 1.00 0.00 O ATOM 455 CB TYR A 46 -1.987 16.486 -9.622 1.00 0.00 C ATOM 456 CG TYR A 46 -1.083 17.473 -10.332 1.00 0.00 C ATOM 457 CD1 TYR A 46 -1.463 18.005 -11.572 1.00 0.00 C ATOM 458 CD2 TYR A 46 0.135 17.853 -9.748 1.00 0.00 C ATOM 459 CE1 TYR A 46 -0.630 18.910 -12.239 1.00 0.00 C ATOM 460 CE2 TYR A 46 0.975 18.758 -10.409 1.00 0.00 C ATOM 461 CZ TYR A 46 0.597 19.289 -11.658 1.00 0.00 C ATOM 462 OH TYR A 46 1.415 20.167 -12.304 1.00 0.00 O ATOM 463 HH TYR A 46 2.287 19.734 -12.483 1.00 0.00 H ATOM 464 H TYR A 46 -3.780 15.095 -8.516 1.00 0.00 H ATOM 465 N MET A 47 -4.919 17.309 -10.687 1.00 0.00 N ATOM 466 CA MET A 47 -5.749 18.009 -11.661 1.00 0.00 C ATOM 467 C MET A 47 -6.899 18.760 -10.994 1.00 0.00 C ATOM 468 O MET A 47 -7.262 19.845 -11.444 1.00 0.00 O ATOM 469 CB MET A 47 -6.302 17.025 -12.689 1.00 0.00 C ATOM 470 CG MET A 47 -5.162 16.299 -13.395 1.00 0.00 C ATOM 471 SD MET A 47 -3.986 17.375 -14.254 1.00 0.00 S ATOM 472 CE MET A 47 -2.578 16.243 -14.308 1.00 0.00 C ATOM 473 H MET A 47 -5.037 16.283 -10.568 1.00 0.00 H ATOM 474 N LEU A 48 -7.473 18.194 -9.927 1.00 0.00 N ATOM 475 CA LEU A 48 -8.578 18.820 -9.215 1.00 0.00 C ATOM 476 C LEU A 48 -8.099 19.982 -8.343 1.00 0.00 C ATOM 477 O LEU A 48 -8.903 20.829 -7.958 1.00 0.00 O ATOM 478 CB LEU A 48 -9.303 17.778 -8.354 1.00 0.00 C ATOM 479 CG LEU A 48 -9.949 16.665 -9.186 1.00 0.00 C ATOM 480 CD1 LEU A 48 -10.661 15.697 -8.241 1.00 0.00 C ATOM 481 CD2 LEU A 48 -10.973 17.225 -10.172 1.00 0.00 C ATOM 482 H LEU A 48 -7.118 17.275 -9.594 1.00 0.00 H ATOM 483 N ARG A 49 -6.799 20.034 -8.028 1.00 0.00 N ATOM 484 CA ARG A 49 -6.240 21.127 -7.237 1.00 0.00 C ATOM 485 C ARG A 49 -6.495 22.485 -7.897 1.00 0.00 C ATOM 486 O ARG A 49 -6.559 22.576 -9.118 1.00 0.00 O ATOM 487 CB ARG A 49 -4.753 20.863 -6.955 1.00 0.00 C ATOM 488 CG ARG A 49 -3.829 21.479 -7.998 1.00 0.00 C ATOM 489 CD ARG A 49 -2.383 21.036 -7.789 1.00 0.00 C ATOM 490 NE ARG A 49 -1.478 21.855 -8.600 1.00 0.00 N ATOM 491 CZ ARG A 49 -0.150 21.880 -8.461 1.00 0.00 C ATOM 492 NH1 ARG A 49 0.461 21.080 -7.586 1.00 0.00 N ATOM 493 NH2 ARG A 49 0.571 22.718 -9.206 1.00 0.00 N ATOM 494 HE ARG A 49 -1.899 22.459 -9.335 1.00 0.00 H ATOM 495 HH12 ARG A 49 1.496 21.110 -7.488 1.00 0.00 H ATOM 496 HH11 ARG A 49 -0.098 20.426 -7.001 1.00 0.00 H ATOM 497 HH22 ARG A 49 1.606 22.745 -9.105 1.00 0.00 H ATOM 498 HH21 ARG A 49 0.099 23.345 -9.888 1.00 0.00 H ATOM 499 H ARG A 49 -6.169 19.274 -8.356 1.00 0.00 H ATOM 500 N PRO A 50 -6.644 23.557 -7.107 1.00 0.00 N ATOM 501 CA PRO A 50 -6.811 24.902 -7.632 1.00 0.00 C ATOM 502 C PRO A 50 -5.492 25.468 -8.159 1.00 0.00 C ATOM 503 O PRO A 50 -5.488 26.437 -8.915 1.00 0.00 O ATOM 504 CB PRO A 50 -7.298 25.718 -6.435 1.00 0.00 C ATOM 505 CG PRO A 50 -6.628 25.016 -5.252 1.00 0.00 C ATOM 506 CD PRO A 50 -6.666 23.546 -5.660 1.00 0.00 C ATOM 507 N SER A 51 -4.372 24.860 -7.756 1.00 0.00 N ATOM 508 CA SER A 51 -3.034 25.284 -8.139 1.00 0.00 C ATOM 509 C SER A 51 -2.581 24.720 -9.489 1.00 0.00 C ATOM 510 O SER A 51 -1.397 24.805 -9.813 1.00 0.00 O ATOM 511 CB SER A 51 -2.055 24.893 -7.033 1.00 0.00 C ATOM 512 OG SER A 51 -0.779 25.426 -7.314 1.00 0.00 O ATOM 513 HG SER A 51 -0.456 25.068 -8.179 1.00 0.00 H ATOM 514 H SER A 51 -4.462 24.034 -7.131 1.00 0.00 H ATOM 515 N VAL A 52 -3.493 24.144 -10.283 1.00 0.00 N ATOM 516 CA VAL A 52 -3.138 23.681 -11.625 1.00 0.00 C ATOM 517 C VAL A 52 -3.921 24.428 -12.708 1.00 0.00 C ATOM 518 O VAL A 52 -5.065 24.824 -12.501 1.00 0.00 O ATOM 519 CB VAL A 52 -3.275 22.156 -11.725 1.00 0.00 C ATOM 520 CG1 VAL A 52 -4.723 21.716 -11.594 1.00 0.00 C ATOM 521 CG2 VAL A 52 -2.738 21.625 -13.050 1.00 0.00 C ATOM 522 H VAL A 52 -4.468 24.024 -9.941 1.00 0.00 H ATOM 523 N ASN A 53 -3.284 24.612 -13.870 1.00 0.00 N ATOM 524 CA ASN A 53 -3.823 25.348 -15.004 1.00 0.00 C ATOM 525 C ASN A 53 -4.250 24.399 -16.130 1.00 0.00 C ATOM 526 O ASN A 53 -3.883 23.226 -16.137 1.00 0.00 O ATOM 527 CB ASN A 53 -2.753 26.339 -15.467 1.00 0.00 C ATOM 528 CG ASN A 53 -3.048 26.889 -16.853 1.00 0.00 C ATOM 529 OD1 ASN A 53 -4.080 27.511 -17.089 1.00 0.00 O ATOM 530 ND2 ASN A 53 -2.132 26.656 -17.784 1.00 0.00 N ATOM 531 HD22 ASN A 53 -1.271 26.125 -17.544 1.00 0.00 H ATOM 532 HD21 ASN A 53 -2.275 27.004 -18.753 1.00 0.00 H ATOM 533 H ASN A 53 -2.335 24.199 -13.970 1.00 0.00 H ATOM 534 N THR A 54 -5.027 24.921 -17.088 1.00 0.00 N ATOM 535 CA THR A 54 -5.577 24.160 -18.197 1.00 0.00 C ATOM 536 C THR A 54 -4.501 23.420 -18.986 1.00 0.00 C ATOM 537 O THR A 54 -4.744 22.293 -19.407 1.00 0.00 O ATOM 538 CB THR A 54 -6.337 25.090 -19.148 1.00 0.00 C ATOM 539 OG1 THR A 54 -5.490 26.131 -19.585 1.00 0.00 O ATOM 540 CG2 THR A 54 -7.588 25.680 -18.508 1.00 0.00 C ATOM 541 HG1 THR A 54 -5.176 26.650 -18.803 1.00 0.00 H ATOM 542 H THR A 54 -5.251 25.935 -17.035 1.00 0.00 H ATOM 543 N ARG A 55 -3.320 24.017 -19.199 1.00 0.00 N ATOM 544 CA ARG A 55 -2.269 23.348 -19.947 1.00 0.00 C ATOM 545 C ARG A 55 -1.777 22.125 -19.193 1.00 0.00 C ATOM 546 O ARG A 55 -1.612 21.065 -19.786 1.00 0.00 O ATOM 547 CB ARG A 55 -1.107 24.307 -20.215 1.00 0.00 C ATOM 548 CG ARG A 55 -1.432 25.298 -21.334 1.00 0.00 C ATOM 549 CD ARG A 55 -1.603 24.604 -22.694 1.00 0.00 C ATOM 550 NE ARG A 55 -0.383 23.912 -23.133 1.00 0.00 N ATOM 551 CZ ARG A 55 0.734 24.531 -23.531 1.00 0.00 C ATOM 552 NH1 ARG A 55 0.809 25.862 -23.561 1.00 0.00 N ATOM 553 NH2 ARG A 55 1.798 23.817 -23.905 1.00 0.00 N ATOM 554 HE ARG A 55 -0.389 22.872 -23.134 1.00 0.00 H ATOM 555 HH12 ARG A 55 1.686 26.327 -23.873 1.00 0.00 H ATOM 556 HH11 ARG A 55 -0.009 26.436 -23.272 1.00 0.00 H ATOM 557 HH22 ARG A 55 2.666 24.300 -24.214 1.00 0.00 H ATOM 558 HH21 ARG A 55 1.759 22.778 -23.887 1.00 0.00 H ATOM 559 H ARG A 55 -3.153 24.972 -18.824 1.00 0.00 H ATOM 560 N ARG A 56 -1.541 22.260 -17.889 1.00 0.00 N ATOM 561 CA ARG A 56 -1.056 21.162 -17.069 1.00 0.00 C ATOM 562 C ARG A 56 -2.106 20.055 -17.020 1.00 0.00 C ATOM 563 O ARG A 56 -1.763 18.877 -16.937 1.00 0.00 O ATOM 564 CB ARG A 56 -0.751 21.715 -15.680 1.00 0.00 C ATOM 565 CG ARG A 56 0.489 22.609 -15.737 1.00 0.00 C ATOM 566 CD ARG A 56 0.512 23.535 -14.525 1.00 0.00 C ATOM 567 NE ARG A 56 1.814 24.201 -14.399 1.00 0.00 N ATOM 568 CZ ARG A 56 2.882 23.657 -13.800 1.00 0.00 C ATOM 569 NH1 ARG A 56 2.823 22.440 -13.257 1.00 0.00 N ATOM 570 NH2 ARG A 56 4.027 24.337 -13.741 1.00 0.00 N ATOM 571 HE ARG A 56 1.914 25.155 -14.800 1.00 0.00 H ATOM 572 HH12 ARG A 56 3.663 22.035 -12.796 1.00 0.00 H ATOM 573 HH11 ARG A 56 1.937 21.896 -13.294 1.00 0.00 H ATOM 574 HH22 ARG A 56 4.858 23.917 -13.277 1.00 0.00 H ATOM 575 HH21 ARG A 56 4.090 25.287 -14.159 1.00 0.00 H ATOM 576 H ARG A 56 -1.710 23.184 -17.442 1.00 0.00 H ATOM 577 N LYS A 57 -3.384 20.433 -17.072 1.00 0.00 N ATOM 578 CA LYS A 57 -4.484 19.487 -17.140 1.00 0.00 C ATOM 579 C LYS A 57 -4.560 18.827 -18.518 1.00 0.00 C ATOM 580 O LYS A 57 -4.878 17.645 -18.604 1.00 0.00 O ATOM 581 CB LYS A 57 -5.775 20.214 -16.767 1.00 0.00 C ATOM 582 CG LYS A 57 -5.965 20.107 -15.252 1.00 0.00 C ATOM 583 CD LYS A 57 -6.982 21.104 -14.700 1.00 0.00 C ATOM 584 CE LYS A 57 -6.339 22.482 -14.587 1.00 0.00 C ATOM 585 NZ LYS A 57 -7.100 23.347 -13.670 1.00 0.00 N ATOM 586 HZ1 LYS A 57 -8.070 23.460 -14.027 1.00 0.00 H ATOM 587 HZ2 LYS A 57 -7.125 22.912 -12.726 1.00 0.00 H ATOM 588 HZ3 LYS A 57 -6.640 24.278 -13.612 1.00 0.00 H ATOM 589 H LYS A 57 -3.602 21.450 -17.063 1.00 0.00 H ATOM 590 N LEU A 58 -4.273 19.575 -19.591 1.00 0.00 N ATOM 591 CA LEU A 58 -4.240 19.032 -20.940 1.00 0.00 C ATOM 592 C LEU A 58 -3.080 18.042 -21.053 1.00 0.00 C ATOM 593 O LEU A 58 -3.231 16.966 -21.626 1.00 0.00 O ATOM 594 CB LEU A 58 -4.136 20.214 -21.915 1.00 0.00 C ATOM 595 CG LEU A 58 -4.264 19.902 -23.414 1.00 0.00 C ATOM 596 CD1 LEU A 58 -3.031 19.197 -23.967 1.00 0.00 C ATOM 597 CD2 LEU A 58 -5.516 19.079 -23.714 1.00 0.00 C ATOM 598 H LEU A 58 -4.065 20.585 -19.454 1.00 0.00 H ATOM 599 N LEU A 59 -1.919 18.409 -20.499 1.00 0.00 N ATOM 600 CA LEU A 59 -0.754 17.539 -20.431 1.00 0.00 C ATOM 601 C LEU A 59 -1.074 16.265 -19.652 1.00 0.00 C ATOM 602 O LEU A 59 -0.718 15.170 -20.085 1.00 0.00 O ATOM 603 CB LEU A 59 0.387 18.288 -19.735 1.00 0.00 C ATOM 604 CG LEU A 59 0.941 19.438 -20.579 1.00 0.00 C ATOM 605 CD1 LEU A 59 1.914 20.283 -19.757 1.00 0.00 C ATOM 606 CD2 LEU A 59 1.690 18.881 -21.779 1.00 0.00 C ATOM 607 H LEU A 59 -1.845 19.365 -20.096 1.00 0.00 H ATOM 608 N GLY A 60 -1.748 16.404 -18.508 1.00 0.00 N ATOM 609 CA GLY A 60 -2.115 15.268 -17.685 1.00 0.00 C ATOM 610 C GLY A 60 -3.127 14.386 -18.405 1.00 0.00 C ATOM 611 O GLY A 60 -3.073 13.163 -18.290 1.00 0.00 O ATOM 612 H GLY A 60 -2.019 17.359 -18.197 1.00 0.00 H ATOM 613 N LEU A 61 -4.046 15.015 -19.145 1.00 0.00 N ATOM 614 CA LEU A 61 -5.029 14.312 -19.944 1.00 0.00 C ATOM 615 C LEU A 61 -4.343 13.489 -21.030 1.00 0.00 C ATOM 616 O LEU A 61 -4.706 12.338 -21.252 1.00 0.00 O ATOM 617 CB LEU A 61 -5.976 15.350 -20.551 1.00 0.00 C ATOM 618 CG LEU A 61 -7.051 14.730 -21.438 1.00 0.00 C ATOM 619 CD1 LEU A 61 -8.016 13.894 -20.598 1.00 0.00 C ATOM 620 CD2 LEU A 61 -7.831 15.846 -22.128 1.00 0.00 C ATOM 621 H LEU A 61 -4.056 16.055 -19.147 1.00 0.00 H ATOM 622 N TYR A 62 -3.350 14.072 -21.711 1.00 0.00 N ATOM 623 CA TYR A 62 -2.608 13.364 -22.744 1.00 0.00 C ATOM 624 C TYR A 62 -1.772 12.238 -22.148 1.00 0.00 C ATOM 625 O TYR A 62 -1.704 11.157 -22.731 1.00 0.00 O ATOM 626 CB TYR A 62 -1.705 14.343 -23.494 1.00 0.00 C ATOM 627 CG TYR A 62 -2.396 15.229 -24.505 1.00 0.00 C ATOM 628 CD1 TYR A 62 -3.782 15.145 -24.727 1.00 0.00 C ATOM 629 CD2 TYR A 62 -1.625 16.143 -25.237 1.00 0.00 C ATOM 630 CE1 TYR A 62 -4.388 15.944 -25.707 1.00 0.00 C ATOM 631 CE2 TYR A 62 -2.222 16.940 -26.223 1.00 0.00 C ATOM 632 CZ TYR A 62 -3.606 16.834 -26.468 1.00 0.00 C ATOM 633 OH TYR A 62 -4.182 17.593 -27.439 1.00 0.00 O ATOM 634 HH TYR A 62 -5.151 17.396 -27.478 1.00 0.00 H ATOM 635 H TYR A 62 -3.101 15.059 -21.496 1.00 0.00 H ATOM 636 N LEU A 63 -1.138 12.470 -20.997 1.00 0.00 N ATOM 637 CA LEU A 63 -0.333 11.436 -20.376 1.00 0.00 C ATOM 638 C LEU A 63 -1.208 10.243 -20.021 1.00 0.00 C ATOM 639 O LEU A 63 -0.957 9.136 -20.487 1.00 0.00 O ATOM 640 CB LEU A 63 0.399 11.988 -19.147 1.00 0.00 C ATOM 641 CG LEU A 63 1.189 10.888 -18.423 1.00 0.00 C ATOM 642 CD1 LEU A 63 2.203 10.225 -19.355 1.00 0.00 C ATOM 643 CD2 LEU A 63 1.946 11.500 -17.248 1.00 0.00 C ATOM 644 H LEU A 63 -1.222 13.401 -20.541 1.00 0.00 H ATOM 645 N MET A 64 -2.237 10.459 -19.197 1.00 0.00 N ATOM 646 CA MET A 64 -3.100 9.369 -18.783 1.00 0.00 C ATOM 647 C MET A 64 -3.748 8.711 -19.999 1.00 0.00 C ATOM 648 O MET A 64 -3.917 7.497 -20.001 1.00 0.00 O ATOM 649 CB MET A 64 -4.128 9.866 -17.763 1.00 0.00 C ATOM 650 CG MET A 64 -5.407 10.421 -18.394 1.00 0.00 C ATOM 651 SD MET A 64 -6.633 9.190 -18.920 1.00 0.00 S ATOM 652 CE MET A 64 -7.018 8.447 -17.313 1.00 0.00 C ATOM 653 H MET A 64 -2.422 11.421 -18.848 1.00 0.00 H ATOM 654 N ASN A 65 -4.108 9.491 -21.025 1.00 0.00 N ATOM 655 CA ASN A 65 -4.727 8.951 -22.224 1.00 0.00 C ATOM 656 C ASN A 65 -3.804 7.933 -22.883 1.00 0.00 C ATOM 657 O ASN A 65 -4.253 6.845 -23.239 1.00 0.00 O ATOM 658 CB ASN A 65 -5.052 10.102 -23.175 1.00 0.00 C ATOM 659 CG ASN A 65 -5.551 9.636 -24.535 1.00 0.00 C ATOM 660 OD1 ASN A 65 -5.127 10.164 -25.558 1.00 0.00 O ATOM 661 ND2 ASN A 65 -6.447 8.653 -24.567 1.00 0.00 N ATOM 662 HD22 ASN A 65 -6.785 8.228 -23.680 1.00 0.00 H ATOM 663 HD21 ASN A 65 -6.810 8.309 -25.479 1.00 0.00 H ATOM 664 H ASN A 65 -3.940 10.515 -20.962 1.00 0.00 H ATOM 665 N HIS A 66 -2.520 8.275 -23.046 1.00 0.00 N ATOM 666 CA HIS A 66 -1.573 7.350 -23.645 1.00 0.00 C ATOM 667 C HIS A 66 -1.358 6.151 -22.724 1.00 0.00 C ATOM 668 O HIS A 66 -1.276 5.017 -23.190 1.00 0.00 O ATOM 669 CB HIS A 66 -0.249 8.067 -23.908 1.00 0.00 C ATOM 670 CG HIS A 66 0.744 7.233 -24.677 1.00 0.00 C ATOM 671 ND1 HIS A 66 2.103 7.528 -24.812 1.00 0.00 N ATOM 672 CD2 HIS A 66 0.472 6.077 -25.354 1.00 0.00 C ATOM 673 CE1 HIS A 66 2.615 6.538 -25.562 1.00 0.00 C ATOM 674 NE2 HIS A 66 1.660 5.654 -25.902 1.00 0.00 N ATOM 675 H HIS A 66 -2.196 9.215 -22.740 1.00 0.00 H ATOM 676 N VAL A 67 -1.270 6.404 -21.414 1.00 0.00 N ATOM 677 CA VAL A 67 -1.040 5.355 -20.436 1.00 0.00 C ATOM 678 C VAL A 67 -2.165 4.324 -20.470 1.00 0.00 C ATOM 679 O VAL A 67 -1.893 3.141 -20.651 1.00 0.00 O ATOM 680 CB VAL A 67 -0.885 5.967 -19.039 1.00 0.00 C ATOM 681 CG1 VAL A 67 -0.862 4.869 -17.978 1.00 0.00 C ATOM 682 CG2 VAL A 67 0.417 6.764 -18.940 1.00 0.00 C ATOM 683 H VAL A 67 -1.370 7.385 -21.084 1.00 0.00 H ATOM 684 N VAL A 68 -3.420 4.754 -20.299 1.00 0.00 N ATOM 685 CA VAL A 68 -4.538 3.821 -20.271 1.00 0.00 C ATOM 686 C VAL A 68 -4.708 3.133 -21.619 1.00 0.00 C ATOM 687 O VAL A 68 -5.050 1.951 -21.669 1.00 0.00 O ATOM 688 CB VAL A 68 -5.835 4.519 -19.860 1.00 0.00 C ATOM 689 CG1 VAL A 68 -5.660 5.167 -18.485 1.00 0.00 C ATOM 690 CG2 VAL A 68 -6.320 5.553 -20.879 1.00 0.00 C ATOM 691 H VAL A 68 -3.600 5.772 -20.184 1.00 0.00 H ATOM 692 N GLN A 69 -4.474 3.860 -22.716 1.00 0.00 N ATOM 693 CA GLN A 69 -4.614 3.304 -24.049 1.00 0.00 C ATOM 694 C GLN A 69 -3.578 2.214 -24.295 1.00 0.00 C ATOM 695 O GLN A 69 -3.919 1.122 -24.751 1.00 0.00 O ATOM 696 CB GLN A 69 -4.480 4.427 -25.079 1.00 0.00 C ATOM 697 CG GLN A 69 -4.590 3.878 -26.500 1.00 0.00 C ATOM 698 CD GLN A 69 -5.914 3.150 -26.703 1.00 0.00 C ATOM 699 OE1 GLN A 69 -6.918 3.766 -27.047 1.00 0.00 O ATOM 700 NE2 GLN A 69 -5.930 1.837 -26.492 1.00 0.00 N ATOM 701 HE22 GLN A 69 -5.060 1.346 -26.201 1.00 0.00 H ATOM 702 HE21 GLN A 69 -6.812 1.301 -26.618 1.00 0.00 H ATOM 703 H GLN A 69 -4.183 4.853 -22.611 1.00 0.00 H ATOM 704 N GLN A 70 -2.313 2.510 -23.993 1.00 0.00 N ATOM 705 CA GLN A 70 -1.234 1.558 -24.181 1.00 0.00 C ATOM 706 C GLN A 70 -1.357 0.414 -23.173 1.00 0.00 C ATOM 707 O GLN A 70 -0.951 -0.715 -23.449 1.00 0.00 O ATOM 708 CB GLN A 70 0.093 2.311 -24.054 1.00 0.00 C ATOM 709 CG GLN A 70 1.280 1.416 -24.395 1.00 0.00 C ATOM 710 CD GLN A 70 1.167 0.847 -25.805 1.00 0.00 C ATOM 711 OE1 GLN A 70 0.662 1.504 -26.711 1.00 0.00 O ATOM 712 NE2 GLN A 70 1.638 -0.380 -26.001 1.00 0.00 N ATOM 713 HE22 GLN A 70 2.059 -0.908 -25.210 1.00 0.00 H ATOM 714 HE21 GLN A 70 1.585 -0.813 -26.945 1.00 0.00 H ATOM 715 H GLN A 70 -2.093 3.452 -23.611 1.00 0.00 H ATOM 716 N ALA A 71 -1.923 0.709 -21.997 1.00 0.00 N ATOM 717 CA ALA A 71 -2.173 -0.305 -20.993 1.00 0.00 C ATOM 718 C ALA A 71 -3.137 -1.346 -21.540 1.00 0.00 C ATOM 719 O ALA A 71 -2.843 -2.536 -21.470 1.00 0.00 O ATOM 720 CB ALA A 71 -2.749 0.332 -19.732 1.00 0.00 C ATOM 721 H ALA A 71 -2.191 1.694 -21.798 1.00 0.00 H ATOM 722 N LYS A 72 -4.285 -0.921 -22.086 1.00 0.00 N ATOM 723 CA LYS A 72 -5.210 -1.858 -22.693 1.00 0.00 C ATOM 724 C LYS A 72 -4.517 -2.591 -23.840 1.00 0.00 C ATOM 725 O LYS A 72 -4.814 -3.756 -24.099 1.00 0.00 O ATOM 726 CB LYS A 72 -6.441 -1.120 -23.205 1.00 0.00 C ATOM 727 CG LYS A 72 -7.415 -2.187 -23.702 1.00 0.00 C ATOM 728 CD LYS A 72 -8.812 -1.626 -23.926 1.00 0.00 C ATOM 729 CE LYS A 72 -9.682 -2.800 -24.338 1.00 0.00 C ATOM 730 NZ LYS A 72 -11.084 -2.396 -24.540 1.00 0.00 N ATOM 731 HZ1 LYS A 72 -11.462 -2.004 -23.654 1.00 0.00 H ATOM 732 HZ2 LYS A 72 -11.131 -1.675 -25.288 1.00 0.00 H ATOM 733 HZ3 LYS A 72 -11.646 -3.225 -24.820 1.00 0.00 H ATOM 734 H LYS A 72 -4.515 0.093 -22.074 1.00 0.00 H ATOM 735 N GLY A 73 -3.592 -1.901 -24.520 1.00 0.00 N ATOM 736 CA GLY A 73 -2.852 -2.455 -25.642 1.00 0.00 C ATOM 737 C GLY A 73 -2.136 -3.745 -25.260 1.00 0.00 C ATOM 738 O GLY A 73 -2.123 -4.695 -26.042 1.00 0.00 O ATOM 739 H GLY A 73 -3.394 -0.922 -24.231 1.00 0.00 H ATOM 740 N GLN A 74 -1.542 -3.782 -24.063 1.00 0.00 N ATOM 741 CA GLN A 74 -0.876 -4.979 -23.560 1.00 0.00 C ATOM 742 C GLN A 74 -1.620 -5.608 -22.375 1.00 0.00 C ATOM 743 O GLN A 74 -1.053 -6.429 -21.654 1.00 0.00 O ATOM 744 CB GLN A 74 0.610 -4.707 -23.317 1.00 0.00 C ATOM 745 CG GLN A 74 0.850 -3.863 -22.069 1.00 0.00 C ATOM 746 CD GLN A 74 1.969 -2.856 -22.288 1.00 0.00 C ATOM 747 OE1 GLN A 74 3.133 -3.141 -22.028 1.00 0.00 O ATOM 748 NE2 GLN A 74 1.619 -1.667 -22.770 1.00 0.00 N ATOM 749 HE22 GLN A 74 0.621 -1.464 -22.978 1.00 0.00 H ATOM 750 HE21 GLN A 74 2.344 -0.941 -22.939 1.00 0.00 H ATOM 751 H GLN A 74 -1.555 -2.928 -23.470 1.00 0.00 H ATOM 752 N LYS A 75 -2.887 -5.222 -22.180 1.00 0.00 N ATOM 753 CA LYS A 75 -3.805 -5.788 -21.199 1.00 0.00 C ATOM 754 C LYS A 75 -3.387 -5.562 -19.745 1.00 0.00 C ATOM 755 O LYS A 75 -3.633 -6.410 -18.891 1.00 0.00 O ATOM 756 CB LYS A 75 -4.111 -7.250 -21.526 1.00 0.00 C ATOM 757 CG LYS A 75 -4.673 -7.363 -22.946 1.00 0.00 C ATOM 758 CD LYS A 75 -5.115 -8.793 -23.234 1.00 0.00 C ATOM 759 CE LYS A 75 -3.958 -9.746 -22.948 1.00 0.00 C ATOM 760 NZ LYS A 75 -4.319 -11.139 -23.266 1.00 0.00 N ATOM 761 HZ1 LYS A 75 -5.134 -11.425 -22.687 1.00 0.00 H ATOM 762 HZ2 LYS A 75 -4.565 -11.211 -24.274 1.00 0.00 H ATOM 763 HZ3 LYS A 75 -3.511 -11.761 -23.060 1.00 0.00 H ATOM 764 H LYS A 75 -3.247 -4.452 -22.780 1.00 0.00 H ATOM 765 N ILE A 76 -2.757 -4.421 -19.456 1.00 0.00 N ATOM 766 CA ILE A 76 -2.368 -4.049 -18.100 1.00 0.00 C ATOM 767 C ILE A 76 -3.547 -3.335 -17.450 1.00 0.00 C ATOM 768 O ILE A 76 -3.559 -2.111 -17.325 1.00 0.00 O ATOM 769 CB ILE A 76 -1.108 -3.178 -18.114 1.00 0.00 C ATOM 770 CG1 ILE A 76 0.028 -3.884 -18.861 1.00 0.00 C ATOM 771 CG2 ILE A 76 -0.679 -2.855 -16.682 1.00 0.00 C ATOM 772 CD1 ILE A 76 0.512 -5.159 -18.170 1.00 0.00 C ATOM 773 H ILE A 76 -2.533 -3.767 -20.233 1.00 0.00 H ATOM 774 N ILE A 77 -4.545 -4.113 -17.032 1.00 0.00 N ATOM 775 CA ILE A 77 -5.788 -3.586 -16.509 1.00 0.00 C ATOM 776 C ILE A 77 -5.574 -2.697 -15.290 1.00 0.00 C ATOM 777 O ILE A 77 -6.429 -1.870 -15.011 1.00 0.00 O ATOM 778 CB ILE A 77 -6.775 -4.731 -16.253 1.00 0.00 C ATOM 779 CG1 ILE A 77 -6.292 -5.682 -15.160 1.00 0.00 C ATOM 780 CG2 ILE A 77 -6.966 -5.503 -17.561 1.00 0.00 C ATOM 781 CD1 ILE A 77 -6.792 -5.273 -13.774 1.00 0.00 C ATOM 782 H ILE A 77 -4.426 -5.145 -17.084 1.00 0.00 H ATOM 783 N GLN A 78 -4.464 -2.841 -14.559 1.00 0.00 N ATOM 784 CA GLN A 78 -4.267 -2.057 -13.349 1.00 0.00 C ATOM 785 C GLN A 78 -4.353 -0.560 -13.629 1.00 0.00 C ATOM 786 O GLN A 78 -4.894 0.187 -12.813 1.00 0.00 O ATOM 787 CB GLN A 78 -2.912 -2.379 -12.723 1.00 0.00 C ATOM 788 CG GLN A 78 -2.821 -3.859 -12.357 1.00 0.00 C ATOM 789 CD GLN A 78 -2.355 -4.707 -13.529 1.00 0.00 C ATOM 790 OE1 GLN A 78 -1.308 -4.456 -14.111 1.00 0.00 O ATOM 791 NE2 GLN A 78 -3.133 -5.720 -13.885 1.00 0.00 N ATOM 792 HE22 GLN A 78 -4.016 -5.904 -13.368 1.00 0.00 H ATOM 793 HE21 GLN A 78 -2.860 -6.330 -14.682 1.00 0.00 H ATOM 794 H GLN A 78 -3.735 -3.520 -14.858 1.00 0.00 H ATOM 795 N PHE A 79 -3.822 -0.124 -14.777 1.00 0.00 N ATOM 796 CA PHE A 79 -3.862 1.275 -15.162 1.00 0.00 C ATOM 797 C PHE A 79 -5.282 1.697 -15.491 1.00 0.00 C ATOM 798 O PHE A 79 -5.861 2.509 -14.780 1.00 0.00 O ATOM 799 CB PHE A 79 -2.974 1.513 -16.377 1.00 0.00 C ATOM 800 CG PHE A 79 -1.503 1.535 -16.058 1.00 0.00 C ATOM 801 CD1 PHE A 79 -0.624 0.675 -16.727 1.00 0.00 C ATOM 802 CD2 PHE A 79 -1.028 2.429 -15.092 1.00 0.00 C ATOM 803 CE1 PHE A 79 0.747 0.731 -16.449 1.00 0.00 C ATOM 804 CE2 PHE A 79 0.340 2.482 -14.810 1.00 0.00 C ATOM 805 CZ PHE A 79 1.227 1.645 -15.499 1.00 0.00 C ATOM 806 H PHE A 79 -3.366 -0.809 -15.413 1.00 0.00 H ATOM 807 N GLN A 80 -5.839 1.141 -16.571 1.00 0.00 N ATOM 808 CA GLN A 80 -7.170 1.486 -17.045 1.00 0.00 C ATOM 809 C GLN A 80 -8.213 1.284 -15.946 1.00 0.00 C ATOM 810 O GLN A 80 -9.235 1.970 -15.942 1.00 0.00 O ATOM 811 CB GLN A 80 -7.473 0.663 -18.302 1.00 0.00 C ATOM 812 CG GLN A 80 -7.361 -0.846 -18.066 1.00 0.00 C ATOM 813 CD GLN A 80 -7.269 -1.625 -19.377 1.00 0.00 C ATOM 814 OE1 GLN A 80 -6.431 -2.511 -19.520 1.00 0.00 O ATOM 815 NE2 GLN A 80 -8.121 -1.314 -20.351 1.00 0.00 N ATOM 816 HE22 GLN A 80 -8.822 -0.560 -20.207 1.00 0.00 H ATOM 817 HE21 GLN A 80 -8.085 -1.825 -21.256 1.00 0.00 H ATOM 818 H GLN A 80 -5.295 0.428 -17.097 1.00 0.00 H ATOM 819 N ASP A 81 -7.968 0.354 -15.017 1.00 0.00 N ATOM 820 CA ASP A 81 -8.875 0.126 -13.910 1.00 0.00 C ATOM 821 C ASP A 81 -8.859 1.317 -12.958 1.00 0.00 C ATOM 822 O ASP A 81 -9.908 1.860 -12.632 1.00 0.00 O ATOM 823 CB ASP A 81 -8.454 -1.146 -13.168 1.00 0.00 C ATOM 824 CG ASP A 81 -9.422 -1.522 -12.049 1.00 0.00 C ATOM 825 OD1 ASP A 81 -8.998 -2.312 -11.177 1.00 0.00 O ATOM 826 OD2 ASP A 81 -10.565 -1.017 -12.080 1.00 0.00 O ATOM 827 H ASP A 81 -7.104 -0.221 -15.091 1.00 0.00 H ATOM 828 N SER A 82 -7.665 1.721 -12.516 1.00 0.00 N ATOM 829 CA SER A 82 -7.502 2.815 -11.574 1.00 0.00 C ATOM 830 C SER A 82 -7.784 4.165 -12.227 1.00 0.00 C ATOM 831 O SER A 82 -8.614 4.934 -11.745 1.00 0.00 O ATOM 832 CB SER A 82 -6.073 2.796 -11.039 1.00 0.00 C ATOM 833 OG SER A 82 -5.728 1.506 -10.577 1.00 0.00 O ATOM 834 HG SER A 82 -5.799 0.860 -11.323 1.00 0.00 H ATOM 835 H SER A 82 -6.815 1.231 -12.861 1.00 0.00 H ATOM 836 N PHE A 83 -7.084 4.446 -13.329 1.00 0.00 N ATOM 837 CA PHE A 83 -7.208 5.702 -14.047 1.00 0.00 C ATOM 838 C PHE A 83 -8.641 5.943 -14.513 1.00 0.00 C ATOM 839 O PHE A 83 -9.099 7.084 -14.493 1.00 0.00 O ATOM 840 CB PHE A 83 -6.290 5.682 -15.265 1.00 0.00 C ATOM 841 CG PHE A 83 -4.894 6.203 -15.013 1.00 0.00 C ATOM 842 CD1 PHE A 83 -4.713 7.540 -14.635 1.00 0.00 C ATOM 843 CD2 PHE A 83 -3.785 5.361 -15.162 1.00 0.00 C ATOM 844 CE1 PHE A 83 -3.423 8.045 -14.431 1.00 0.00 C ATOM 845 CE2 PHE A 83 -2.495 5.866 -14.956 1.00 0.00 C ATOM 846 CZ PHE A 83 -2.312 7.210 -14.600 1.00 0.00 C ATOM 847 H PHE A 83 -6.419 3.732 -13.690 1.00 0.00 H ATOM 848 N GLY A 84 -9.348 4.894 -14.930 1.00 0.00 N ATOM 849 CA GLY A 84 -10.711 5.023 -15.409 1.00 0.00 C ATOM 850 C GLY A 84 -11.617 5.714 -14.395 1.00 0.00 C ATOM 851 O GLY A 84 -12.334 6.647 -14.744 1.00 0.00 O ATOM 852 H GLY A 84 -8.908 3.952 -14.912 1.00 0.00 H ATOM 853 N LYS A 85 -11.590 5.266 -13.141 1.00 0.00 N ATOM 854 CA LYS A 85 -12.493 5.786 -12.119 1.00 0.00 C ATOM 855 C LYS A 85 -12.236 7.270 -11.870 1.00 0.00 C ATOM 856 O LYS A 85 -13.171 8.067 -11.814 1.00 0.00 O ATOM 857 CB LYS A 85 -12.326 4.998 -10.816 1.00 0.00 C ATOM 858 CG LYS A 85 -12.191 3.495 -11.059 1.00 0.00 C ATOM 859 CD LYS A 85 -13.390 2.887 -11.799 1.00 0.00 C ATOM 860 CE LYS A 85 -13.003 1.521 -12.363 1.00 0.00 C ATOM 861 NZ LYS A 85 -12.432 0.642 -11.324 1.00 0.00 N ATOM 862 HZ1 LYS A 85 -11.580 1.086 -10.926 1.00 0.00 H ATOM 863 HZ2 LYS A 85 -13.133 0.498 -10.570 1.00 0.00 H ATOM 864 HZ3 LYS A 85 -12.182 -0.275 -11.746 1.00 0.00 H ATOM 865 H LYS A 85 -10.907 4.525 -12.883 1.00 0.00 H ATOM 866 N VAL A 86 -10.959 7.634 -11.723 1.00 0.00 N ATOM 867 CA VAL A 86 -10.554 9.011 -11.471 1.00 0.00 C ATOM 868 C VAL A 86 -10.690 9.877 -12.724 1.00 0.00 C ATOM 869 O VAL A 86 -10.719 11.100 -12.622 1.00 0.00 O ATOM 870 CB VAL A 86 -9.127 9.033 -10.918 1.00 0.00 C ATOM 871 CG1 VAL A 86 -8.997 8.108 -9.707 1.00 0.00 C ATOM 872 CG2 VAL A 86 -8.116 8.605 -11.978 1.00 0.00 C ATOM 873 H VAL A 86 -10.222 6.903 -11.791 1.00 0.00 H ATOM 874 N ALA A 87 -10.774 9.251 -13.903 1.00 0.00 N ATOM 875 CA ALA A 87 -10.931 9.963 -15.160 1.00 0.00 C ATOM 876 C ALA A 87 -12.223 10.774 -15.188 1.00 0.00 C ATOM 877 O ALA A 87 -12.205 11.934 -15.591 1.00 0.00 O ATOM 878 CB ALA A 87 -10.925 8.960 -16.312 1.00 0.00 C ATOM 879 H ALA A 87 -10.725 8.212 -13.921 1.00 0.00 H ATOM 880 N ALA A 88 -13.343 10.177 -14.763 1.00 0.00 N ATOM 881 CA ALA A 88 -14.632 10.847 -14.766 1.00 0.00 C ATOM 882 C ALA A 88 -14.565 12.155 -14.000 1.00 0.00 C ATOM 883 O ALA A 88 -15.109 13.165 -14.453 1.00 0.00 O ATOM 884 CB ALA A 88 -15.673 9.922 -14.146 1.00 0.00 C ATOM 885 H ALA A 88 -13.288 9.197 -14.418 1.00 0.00 H ATOM 886 N GLU A 89 -13.900 12.144 -12.844 1.00 0.00 N ATOM 887 CA GLU A 89 -13.668 13.373 -12.127 1.00 0.00 C ATOM 888 C GLU A 89 -12.852 14.317 -12.993 1.00 0.00 C ATOM 889 O GLU A 89 -13.399 15.294 -13.495 1.00 0.00 O ATOM 890 CB GLU A 89 -12.998 13.074 -10.791 1.00 0.00 C ATOM 891 CG GLU A 89 -14.043 12.466 -9.860 1.00 0.00 C ATOM 892 CD GLU A 89 -15.107 13.500 -9.483 1.00 0.00 C ATOM 893 OE1 GLU A 89 -16.244 13.083 -9.183 1.00 0.00 O ATOM 894 OE2 GLU A 89 -14.776 14.707 -9.496 1.00 0.00 O ATOM 895 H GLU A 89 -13.547 11.245 -12.458 1.00 0.00 H ATOM 896 N VAL A 90 -11.556 14.043 -13.175 1.00 0.00 N ATOM 897 CA VAL A 90 -10.683 14.963 -13.888 1.00 0.00 C ATOM 898 C VAL A 90 -11.318 15.446 -15.187 1.00 0.00 C ATOM 899 O VAL A 90 -11.640 16.622 -15.302 1.00 0.00 O ATOM 900 CB VAL A 90 -9.335 14.304 -14.164 1.00 0.00 C ATOM 901 CG1 VAL A 90 -8.428 15.258 -14.942 1.00 0.00 C ATOM 902 CG2 VAL A 90 -8.660 13.952 -12.841 1.00 0.00 C ATOM 903 H VAL A 90 -11.165 13.156 -12.800 1.00 0.00 H ATOM 904 N LEU A 91 -11.502 14.559 -16.163 1.00 0.00 N ATOM 905 CA LEU A 91 -12.000 14.926 -17.479 1.00 0.00 C ATOM 906 C LEU A 91 -13.280 15.752 -17.359 1.00 0.00 C ATOM 907 O LEU A 91 -13.456 16.734 -18.081 1.00 0.00 O ATOM 908 CB LEU A 91 -12.272 13.653 -18.288 1.00 0.00 C ATOM 909 CG LEU A 91 -11.012 13.044 -18.920 1.00 0.00 C ATOM 910 CD1 LEU A 91 -9.913 12.734 -17.909 1.00 0.00 C ATOM 911 CD2 LEU A 91 -11.385 11.743 -19.624 1.00 0.00 C ATOM 912 H LEU A 91 -11.280 13.560 -15.976 1.00 0.00 H ATOM 913 N GLY A 92 -14.170 15.356 -16.448 1.00 0.00 N ATOM 914 CA GLY A 92 -15.419 16.058 -16.215 1.00 0.00 C ATOM 915 C GLY A 92 -15.279 17.403 -15.497 1.00 0.00 C ATOM 916 O GLY A 92 -16.093 18.293 -15.738 1.00 0.00 O ATOM 917 H GLY A 92 -13.961 14.509 -15.881 1.00 0.00 H ATOM 918 N ARG A 93 -14.278 17.579 -14.627 1.00 0.00 N ATOM 919 CA ARG A 93 -14.070 18.849 -13.939 1.00 0.00 C ATOM 920 C ARG A 93 -13.263 19.794 -14.822 1.00 0.00 C ATOM 921 O ARG A 93 -13.589 20.976 -14.915 1.00 0.00 O ATOM 922 CB ARG A 93 -13.372 18.679 -12.586 1.00 0.00 C ATOM 923 CG ARG A 93 -14.044 17.695 -11.625 1.00 0.00 C ATOM 924 CD ARG A 93 -15.574 17.711 -11.655 1.00 0.00 C ATOM 925 NE ARG A 93 -16.108 16.569 -10.903 1.00 0.00 N ATOM 926 CZ ARG A 93 -17.384 16.171 -10.938 1.00 0.00 C ATOM 927 NH1 ARG A 93 -18.287 16.846 -11.650 1.00 0.00 N ATOM 928 NH2 ARG A 93 -17.760 15.086 -10.256 1.00 0.00 N ATOM 929 HE ARG A 93 -15.449 16.033 -10.302 1.00 0.00 H ATOM 930 HH12 ARG A 93 -19.277 16.528 -11.670 1.00 0.00 H ATOM 931 HH11 ARG A 93 -18.001 17.691 -12.185 1.00 0.00 H ATOM 932 HH22 ARG A 93 -18.752 14.774 -10.281 1.00 0.00 H ATOM 933 HH21 ARG A 93 -17.061 14.553 -9.700 1.00 0.00 H ATOM 934 H ARG A 93 -13.630 16.788 -14.436 1.00 0.00 H ATOM 935 N ILE A 94 -12.213 19.291 -15.476 1.00 0.00 N ATOM 936 CA ILE A 94 -11.434 20.112 -16.394 1.00 0.00 C ATOM 937 C ILE A 94 -12.303 20.509 -17.583 1.00 0.00 C ATOM 938 O ILE A 94 -12.031 21.514 -18.225 1.00 0.00 O ATOM 939 CB ILE A 94 -10.156 19.395 -16.858 1.00 0.00 C ATOM 940 CG1 ILE A 94 -10.476 18.343 -17.926 1.00 0.00 C ATOM 941 CG2 ILE A 94 -9.387 18.792 -15.678 1.00 0.00 C ATOM 942 CD1 ILE A 94 -9.243 17.545 -18.343 1.00 0.00 C ATOM 943 H ILE A 94 -11.947 18.297 -15.328 1.00 0.00 H ATOM 944 N ASN A 95 -13.347 19.731 -17.884 1.00 0.00 N ATOM 945 CA ASN A 95 -14.306 20.076 -18.922 1.00 0.00 C ATOM 946 C ASN A 95 -15.014 21.386 -18.581 1.00 0.00 C ATOM 947 O ASN A 95 -15.449 22.099 -19.483 1.00 0.00 O ATOM 948 CB ASN A 95 -15.321 18.932 -19.045 1.00 0.00 C ATOM 949 CG ASN A 95 -16.709 19.415 -19.446 1.00 0.00 C ATOM 950 OD1 ASN A 95 -17.440 19.968 -18.630 1.00 0.00 O ATOM 951 ND2 ASN A 95 -17.090 19.211 -20.703 1.00 0.00 N ATOM 952 HD22 ASN A 95 -16.448 18.739 -21.371 1.00 0.00 H ATOM 953 HD21 ASN A 95 -18.031 19.523 -21.018 1.00 0.00 H ATOM 954 H ASN A 95 -13.479 18.845 -17.356 1.00 0.00 H ATOM 955 N GLN A 96 -15.128 21.698 -17.289 1.00 0.00 N ATOM 956 CA GLN A 96 -15.806 22.897 -16.821 1.00 0.00 C ATOM 957 C GLN A 96 -14.864 24.100 -16.840 1.00 0.00 C ATOM 958 O GLN A 96 -15.304 25.232 -16.649 1.00 0.00 O ATOM 959 CB GLN A 96 -16.337 22.663 -15.405 1.00 0.00 C ATOM 960 CG GLN A 96 -16.809 21.218 -15.213 1.00 0.00 C ATOM 961 CD GLN A 96 -17.944 21.076 -14.208 1.00 0.00 C ATOM 962 OE1 GLN A 96 -18.260 22.001 -13.466 1.00 0.00 O ATOM 963 NE2 GLN A 96 -18.565 19.899 -14.185 1.00 0.00 N ATOM 964 HE22 GLN A 96 -18.266 19.141 -14.831 1.00 0.00 H ATOM 965 HE21 GLN A 96 -19.349 19.738 -13.521 1.00 0.00 H ATOM 966 H GLN A 96 -14.713 21.055 -16.584 1.00 0.00 H ATOM 967 N GLU A 97 -13.570 23.850 -17.070 1.00 0.00 N ATOM 968 CA GLU A 97 -12.545 24.884 -17.075 1.00 0.00 C ATOM 969 C GLU A 97 -11.875 25.010 -18.445 1.00 0.00 C ATOM 970 O GLU A 97 -11.384 26.083 -18.792 1.00 0.00 O ATOM 971 CB GLU A 97 -11.522 24.526 -15.994 1.00 0.00 C ATOM 972 CG GLU A 97 -10.368 25.528 -15.918 1.00 0.00 C ATOM 973 CD GLU A 97 -9.251 25.000 -15.027 1.00 0.00 C ATOM 974 OE1 GLU A 97 -8.102 25.464 -15.205 1.00 0.00 O ATOM 975 OE2 GLU A 97 -9.552 24.137 -14.174 1.00 0.00 O ATOM 976 H GLU A 97 -13.282 22.868 -17.254 1.00 0.00 H ATOM 977 N PHE A 98 -11.847 23.932 -19.233 1.00 0.00 N ATOM 978 CA PHE A 98 -11.211 23.969 -20.531 1.00 0.00 C ATOM 979 C PHE A 98 -12.030 24.850 -21.465 1.00 0.00 C ATOM 980 O PHE A 98 -13.250 24.698 -21.533 1.00 0.00 O ATOM 981 CB PHE A 98 -11.115 22.546 -21.097 1.00 0.00 C ATOM 982 CG PHE A 98 -9.919 21.735 -20.646 1.00 0.00 C ATOM 983 CD1 PHE A 98 -9.107 22.160 -19.580 1.00 0.00 C ATOM 984 CD2 PHE A 98 -9.617 20.539 -21.317 1.00 0.00 C ATOM 985 CE1 PHE A 98 -7.984 21.408 -19.216 1.00 0.00 C ATOM 986 CE2 PHE A 98 -8.490 19.790 -20.953 1.00 0.00 C ATOM 987 CZ PHE A 98 -7.674 20.230 -19.906 1.00 0.00 C ATOM 988 H PHE A 98 -12.291 23.050 -18.907 1.00 0.00 H ATOM 989 N PRO A 99 -11.377 25.769 -22.189 1.00 0.00 N ATOM 990 CA PRO A 99 -12.030 26.540 -23.223 1.00 0.00 C ATOM 991 C PRO A 99 -12.487 25.565 -24.294 1.00 0.00 C ATOM 992 O PRO A 99 -12.010 24.430 -24.344 1.00 0.00 O ATOM 993 CB PRO A 99 -10.980 27.513 -23.757 1.00 0.00 C ATOM 994 CG PRO A 99 -9.655 26.844 -23.390 1.00 0.00 C ATOM 995 CD PRO A 99 -9.975 26.115 -22.087 1.00 0.00 C ATOM 996 N ARG A 100 -13.409 26.009 -25.148 1.00 0.00 N ATOM 997 CA ARG A 100 -13.997 25.150 -26.156 1.00 0.00 C ATOM 998 C ARG A 100 -12.934 24.352 -26.907 1.00 0.00 C ATOM 999 O ARG A 100 -13.174 23.197 -27.245 1.00 0.00 O ATOM 1000 CB ARG A 100 -14.844 26.000 -27.108 1.00 0.00 C ATOM 1001 CG ARG A 100 -14.030 26.811 -28.126 1.00 0.00 C ATOM 1002 CD ARG A 100 -13.164 27.905 -27.498 1.00 0.00 C ATOM 1003 NE ARG A 100 -12.327 28.551 -28.515 1.00 0.00 N ATOM 1004 CZ ARG A 100 -12.621 29.674 -29.172 1.00 0.00 C ATOM 1005 NH1 ARG A 100 -13.749 30.345 -28.933 1.00 0.00 N ATOM 1006 NH2 ARG A 100 -11.759 30.126 -30.085 1.00 0.00 N ATOM 1007 HE ARG A 100 -11.423 28.092 -28.744 1.00 0.00 H ATOM 1008 HH12 ARG A 100 -13.956 31.218 -29.458 1.00 0.00 H ATOM 1009 HH11 ARG A 100 -14.422 29.995 -28.221 1.00 0.00 H ATOM 1010 HH22 ARG A 100 -11.967 31.000 -30.609 1.00 0.00 H ATOM 1011 HH21 ARG A 100 -10.879 29.605 -30.272 1.00 0.00 H ATOM 1012 H ARG A 100 -13.715 27.001 -25.089 1.00 0.00 H ATOM 1013 N ASP A 101 -11.765 24.939 -27.176 1.00 0.00 N ATOM 1014 CA ASP A 101 -10.745 24.272 -27.970 1.00 0.00 C ATOM 1015 C ASP A 101 -10.040 23.129 -27.235 1.00 0.00 C ATOM 1016 O ASP A 101 -9.852 22.060 -27.816 1.00 0.00 O ATOM 1017 CB ASP A 101 -9.762 25.307 -28.510 1.00 0.00 C ATOM 1018 CG ASP A 101 -10.475 26.280 -29.448 1.00 0.00 C ATOM 1019 OD1 ASP A 101 -10.052 27.455 -29.481 1.00 0.00 O ATOM 1020 OD2 ASP A 101 -11.434 25.833 -30.119 1.00 0.00 O ATOM 1021 H ASP A 101 -11.580 25.895 -26.810 1.00 0.00 H ATOM 1022 N LEU A 102 -9.642 23.316 -25.974 1.00 0.00 N ATOM 1023 CA LEU A 102 -9.036 22.213 -25.237 1.00 0.00 C ATOM 1024 C LEU A 102 -10.108 21.183 -24.922 1.00 0.00 C ATOM 1025 O LEU A 102 -9.848 19.981 -24.916 1.00 0.00 O ATOM 1026 CB LEU A 102 -8.404 22.710 -23.938 1.00 0.00 C ATOM 1027 CG LEU A 102 -7.383 23.819 -24.188 1.00 0.00 C ATOM 1028 CD1 LEU A 102 -6.706 24.184 -22.867 1.00 0.00 C ATOM 1029 CD2 LEU A 102 -6.312 23.384 -25.185 1.00 0.00 C ATOM 1030 H LEU A 102 -9.764 24.244 -25.520 1.00 0.00 H ATOM 1031 N LYS A 103 -11.321 21.672 -24.661 1.00 0.00 N ATOM 1032 CA LYS A 103 -12.459 20.811 -24.418 1.00 0.00 C ATOM 1033 C LYS A 103 -12.731 19.923 -25.630 1.00 0.00 C ATOM 1034 O LYS A 103 -13.073 18.756 -25.462 1.00 0.00 O ATOM 1035 CB LYS A 103 -13.684 21.660 -24.088 1.00 0.00 C ATOM 1036 CG LYS A 103 -14.597 20.879 -23.146 1.00 0.00 C ATOM 1037 CD LYS A 103 -16.033 21.384 -23.252 1.00 0.00 C ATOM 1038 CE LYS A 103 -16.136 22.896 -23.086 1.00 0.00 C ATOM 1039 NZ LYS A 103 -15.557 23.366 -21.813 1.00 0.00 N ATOM 1040 HZ1 LYS A 103 -16.061 22.921 -21.019 1.00 0.00 H ATOM 1041 HZ2 LYS A 103 -14.550 23.107 -21.775 1.00 0.00 H ATOM 1042 HZ3 LYS A 103 -15.653 24.400 -21.751 1.00 0.00 H ATOM 1043 H LYS A 103 -11.453 22.703 -24.631 1.00 0.00 H ATOM 1044 N LYS A 104 -12.583 20.459 -26.850 1.00 0.00 N ATOM 1045 CA LYS A 104 -12.674 19.649 -28.065 1.00 0.00 C ATOM 1046 C LYS A 104 -11.624 18.539 -28.047 1.00 0.00 C ATOM 1047 O LYS A 104 -11.940 17.401 -28.384 1.00 0.00 O ATOM 1048 CB LYS A 104 -12.445 20.507 -29.312 1.00 0.00 C ATOM 1049 CG LYS A 104 -13.639 21.384 -29.686 1.00 0.00 C ATOM 1050 CD LYS A 104 -13.155 22.470 -30.652 1.00 0.00 C ATOM 1051 CE LYS A 104 -14.161 23.614 -30.742 1.00 0.00 C ATOM 1052 NZ LYS A 104 -13.569 24.772 -31.443 1.00 0.00 N ATOM 1053 HZ1 LYS A 104 -12.731 25.100 -30.922 1.00 0.00 H ATOM 1054 HZ2 LYS A 104 -13.292 24.489 -32.405 1.00 0.00 H ATOM 1055 HZ3 LYS A 104 -14.269 25.540 -31.494 1.00 0.00 H ATOM 1056 H LYS A 104 -12.398 21.479 -26.935 1.00 0.00 H ATOM 1057 N LYS A 105 -10.381 18.857 -27.658 1.00 0.00 N ATOM 1058 CA LYS A 105 -9.335 17.848 -27.592 1.00 0.00 C ATOM 1059 C LYS A 105 -9.736 16.759 -26.604 1.00 0.00 C ATOM 1060 O LYS A 105 -9.604 15.575 -26.907 1.00 0.00 O ATOM 1061 CB LYS A 105 -8.003 18.490 -27.200 1.00 0.00 C ATOM 1062 CG LYS A 105 -7.659 19.587 -28.212 1.00 0.00 C ATOM 1063 CD LYS A 105 -6.329 20.265 -27.895 1.00 0.00 C ATOM 1064 CE LYS A 105 -6.058 21.361 -28.925 1.00 0.00 C ATOM 1065 NZ LYS A 105 -7.077 22.425 -28.858 1.00 0.00 N ATOM 1066 HZ1 LYS A 105 -8.015 22.017 -29.047 1.00 0.00 H ATOM 1067 HZ2 LYS A 105 -7.068 22.852 -27.910 1.00 0.00 H ATOM 1068 HZ3 LYS A 105 -6.864 23.153 -29.570 1.00 0.00 H ATOM 1069 H LYS A 105 -10.161 19.840 -27.399 1.00 0.00 H ATOM 1070 N LEU A 106 -10.227 17.148 -25.423 1.00 0.00 N ATOM 1071 CA LEU A 106 -10.734 16.191 -24.460 1.00 0.00 C ATOM 1072 C LEU A 106 -11.925 15.418 -25.002 1.00 0.00 C ATOM 1073 O LEU A 106 -12.044 14.221 -24.760 1.00 0.00 O ATOM 1074 CB LEU A 106 -11.134 16.922 -23.182 1.00 0.00 C ATOM 1075 CG LEU A 106 -11.846 15.922 -22.266 1.00 0.00 C ATOM 1076 CD1 LEU A 106 -11.411 16.161 -20.832 1.00 0.00 C ATOM 1077 CD2 LEU A 106 -13.366 16.001 -22.363 1.00 0.00 C ATOM 1078 H LEU A 106 -10.246 18.161 -25.190 1.00 0.00 H ATOM 1079 N SER A 107 -12.814 16.085 -25.736 1.00 0.00 N ATOM 1080 CA SER A 107 -13.984 15.412 -26.267 1.00 0.00 C ATOM 1081 C SER A 107 -13.540 14.204 -27.074 1.00 0.00 C ATOM 1082 O SER A 107 -14.144 13.142 -26.958 1.00 0.00 O ATOM 1083 CB SER A 107 -14.816 16.377 -27.112 1.00 0.00 C ATOM 1084 OG SER A 107 -15.921 15.697 -27.665 1.00 0.00 O ATOM 1085 HG SER A 107 -16.455 16.327 -28.211 1.00 0.00 H ATOM 1086 H SER A 107 -12.668 17.096 -25.930 1.00 0.00 H ATOM 1087 N ARG A 108 -12.488 14.354 -27.889 1.00 0.00 N ATOM 1088 CA ARG A 108 -11.959 13.232 -28.644 1.00 0.00 C ATOM 1089 C ARG A 108 -11.449 12.170 -27.678 1.00 0.00 C ATOM 1090 O ARG A 108 -11.704 10.988 -27.884 1.00 0.00 O ATOM 1091 CB ARG A 108 -10.838 13.704 -29.572 1.00 0.00 C ATOM 1092 CG ARG A 108 -11.370 14.619 -30.680 1.00 0.00 C ATOM 1093 CD ARG A 108 -12.201 13.841 -31.706 1.00 0.00 C ATOM 1094 NE ARG A 108 -11.359 12.928 -32.484 1.00 0.00 N ATOM 1095 CZ ARG A 108 -11.812 11.869 -33.164 1.00 0.00 C ATOM 1096 NH1 ARG A 108 -13.105 11.543 -33.136 1.00 0.00 N ATOM 1097 NH2 ARG A 108 -10.968 11.125 -33.882 1.00 0.00 N ATOM 1098 HE ARG A 108 -10.337 13.117 -32.509 1.00 0.00 H ATOM 1099 HH12 ARG A 108 -13.445 10.717 -33.669 1.00 0.00 H ATOM 1100 HH11 ARG A 108 -13.774 12.115 -32.581 1.00 0.00 H ATOM 1101 HH22 ARG A 108 -11.321 10.302 -34.410 1.00 0.00 H ATOM 1102 HH21 ARG A 108 -9.957 11.369 -33.913 1.00 0.00 H ATOM 1103 H ARG A 108 -12.043 15.289 -27.983 1.00 0.00 H ATOM 1104 N VAL A 109 -10.730 12.574 -26.624 1.00 0.00 N ATOM 1105 CA VAL A 109 -10.234 11.617 -25.642 1.00 0.00 C ATOM 1106 C VAL A 109 -11.390 10.793 -25.082 1.00 0.00 C ATOM 1107 O VAL A 109 -11.302 9.568 -25.062 1.00 0.00 O ATOM 1108 CB VAL A 109 -9.493 12.348 -24.520 1.00 0.00 C ATOM 1109 CG1 VAL A 109 -9.137 11.401 -23.374 1.00 0.00 C ATOM 1110 CG2 VAL A 109 -8.214 12.999 -25.044 1.00 0.00 C ATOM 1111 H VAL A 109 -10.522 13.586 -26.504 1.00 0.00 H ATOM 1112 N VAL A 110 -12.472 11.445 -24.630 1.00 0.00 N ATOM 1113 CA VAL A 110 -13.642 10.727 -24.147 1.00 0.00 C ATOM 1114 C VAL A 110 -14.250 9.847 -25.247 1.00 0.00 C ATOM 1115 O VAL A 110 -14.694 8.736 -24.960 1.00 0.00 O ATOM 1116 CB VAL A 110 -14.653 11.740 -23.595 1.00 0.00 C ATOM 1117 CG1 VAL A 110 -15.935 11.044 -23.145 1.00 0.00 C ATOM 1118 CG2 VAL A 110 -14.049 12.471 -22.392 1.00 0.00 C ATOM 1119 H VAL A 110 -12.475 12.485 -24.625 1.00 0.00 H ATOM 1120 N ASN A 111 -14.282 10.319 -26.501 1.00 0.00 N ATOM 1121 CA ASN A 111 -14.790 9.526 -27.614 1.00 0.00 C ATOM 1122 C ASN A 111 -13.961 8.259 -27.791 1.00 0.00 C ATOM 1123 O ASN A 111 -14.468 7.161 -27.581 1.00 0.00 O ATOM 1124 CB ASN A 111 -14.790 10.328 -28.927 1.00 0.00 C ATOM 1125 CG ASN A 111 -15.549 11.644 -28.863 1.00 0.00 C ATOM 1126 OD1 ASN A 111 -15.312 12.530 -29.681 1.00 0.00 O ATOM 1127 ND2 ASN A 111 -16.460 11.792 -27.906 1.00 0.00 N ATOM 1128 HD22 ASN A 111 -16.635 11.021 -27.230 1.00 0.00 H ATOM 1129 HD21 ASN A 111 -16.998 12.679 -27.833 1.00 0.00 H ATOM 1130 H ASN A 111 -13.933 11.281 -26.686 1.00 0.00 H ATOM 1131 N ILE A 112 -12.689 8.411 -28.175 1.00 0.00 N ATOM 1132 CA ILE A 112 -11.839 7.268 -28.472 1.00 0.00 C ATOM 1133 C ILE A 112 -11.827 6.311 -27.284 1.00 0.00 C ATOM 1134 O ILE A 112 -11.733 5.095 -27.467 1.00 0.00 O ATOM 1135 CB ILE A 112 -10.417 7.747 -28.795 1.00 0.00 C ATOM 1136 CG1 ILE A 112 -10.284 8.348 -30.197 1.00 0.00 C ATOM 1137 CG2 ILE A 112 -9.468 6.554 -28.750 1.00 0.00 C ATOM 1138 CD1 ILE A 112 -10.724 9.807 -30.269 1.00 0.00 C ATOM 1139 H ILE A 112 -12.297 9.370 -28.264 1.00 0.00 H ATOM 1140 N LEU A 113 -11.922 6.857 -26.070 1.00 0.00 N ATOM 1141 CA LEU A 113 -11.964 6.064 -24.858 1.00 0.00 C ATOM 1142 C LEU A 113 -13.100 5.045 -24.903 1.00 0.00 C ATOM 1143 O LEU A 113 -12.844 3.848 -24.799 1.00 0.00 O ATOM 1144 CB LEU A 113 -12.110 7.015 -23.670 1.00 0.00 C ATOM 1145 CG LEU A 113 -12.694 6.329 -22.436 1.00 0.00 C ATOM 1146 CD1 LEU A 113 -11.790 5.203 -21.957 1.00 0.00 C ATOM 1147 CD2 LEU A 113 -12.872 7.368 -21.341 1.00 0.00 C ATOM 1148 H LEU A 113 -11.968 7.893 -25.991 1.00 0.00 H ATOM 1149 N LYS A 114 -14.351 5.496 -25.055 1.00 0.00 N ATOM 1150 CA LYS A 114 -15.479 4.573 -25.052 1.00 0.00 C ATOM 1151 C LYS A 114 -15.612 3.787 -26.350 1.00 0.00 C ATOM 1152 O LYS A 114 -16.119 2.670 -26.331 1.00 0.00 O ATOM 1153 CB LYS A 114 -16.766 5.327 -24.754 1.00 0.00 C ATOM 1154 CG LYS A 114 -17.025 6.437 -25.774 1.00 0.00 C ATOM 1155 CD LYS A 114 -18.411 7.051 -25.577 1.00 0.00 C ATOM 1156 CE LYS A 114 -19.493 5.984 -25.736 1.00 0.00 C ATOM 1157 NZ LYS A 114 -20.832 6.552 -25.509 1.00 0.00 N ATOM 1158 HZ1 LYS A 114 -20.884 6.939 -24.545 1.00 0.00 H ATOM 1159 HZ2 LYS A 114 -21.007 7.310 -26.199 1.00 0.00 H ATOM 1160 HZ3 LYS A 114 -21.548 5.806 -25.623 1.00 0.00 H ATOM 1161 H LYS A 114 -14.520 6.515 -25.176 1.00 0.00 H ATOM 1162 N GLU A 115 -15.165 4.353 -27.470 1.00 0.00 N ATOM 1163 CA GLU A 115 -15.172 3.662 -28.749 1.00 0.00 C ATOM 1164 C GLU A 115 -14.328 2.397 -28.663 1.00 0.00 C ATOM 1165 O GLU A 115 -14.686 1.356 -29.213 1.00 0.00 O ATOM 1166 CB GLU A 115 -14.562 4.609 -29.779 1.00 0.00 C ATOM 1167 CG GLU A 115 -15.446 5.830 -29.991 1.00 0.00 C ATOM 1168 CD GLU A 115 -16.553 5.584 -31.013 1.00 0.00 C ATOM 1169 OE1 GLU A 115 -16.962 4.410 -31.152 1.00 0.00 O ATOM 1170 OE2 GLU A 115 -16.970 6.585 -31.637 1.00 0.00 O ATOM 1171 H GLU A 115 -14.797 5.325 -27.428 1.00 0.00 H ATOM 1172 N ARG A 116 -13.197 2.500 -27.960 1.00 0.00 N ATOM 1173 CA ARG A 116 -12.276 1.396 -27.756 1.00 0.00 C ATOM 1174 C ARG A 116 -12.533 0.717 -26.419 1.00 0.00 C ATOM 1175 O ARG A 116 -11.945 -0.328 -26.133 1.00 0.00 O ATOM 1176 CB ARG A 116 -10.850 1.930 -27.771 1.00 0.00 C ATOM 1177 CG ARG A 116 -10.474 2.486 -29.137 1.00 0.00 C ATOM 1178 CD ARG A 116 -9.061 3.053 -29.053 1.00 0.00 C ATOM 1179 NE ARG A 116 -8.644 3.569 -30.353 1.00 0.00 N ATOM 1180 CZ ARG A 116 -7.590 4.366 -30.558 1.00 0.00 C ATOM 1181 NH1 ARG A 116 -6.817 4.753 -29.548 1.00 0.00 N ATOM 1182 NH2 ARG A 116 -7.299 4.783 -31.788 1.00 0.00 N ATOM 1183 HE ARG A 116 -9.209 3.296 -31.182 1.00 0.00 H ATOM 1184 HH12 ARG A 116 -6.001 5.373 -29.726 1.00 0.00 H ATOM 1185 HH11 ARG A 116 -7.028 4.436 -28.580 1.00 0.00 H ATOM 1186 HH22 ARG A 116 -6.479 5.403 -31.947 1.00 0.00 H ATOM 1187 HH21 ARG A 116 -7.892 4.489 -32.591 1.00 0.00 H ATOM 1188 H ARG A 116 -12.963 3.420 -27.536 1.00 0.00 H ATOM 1189 N ASN A 117 -13.408 1.313 -25.607 1.00 0.00 N ATOM 1190 CA ASN A 117 -13.763 0.783 -24.302 1.00 0.00 C ATOM 1191 C ASN A 117 -12.521 0.548 -23.458 1.00 0.00 C ATOM 1192 O ASN A 117 -12.310 -0.546 -22.937 1.00 0.00 O ATOM 1193 CB ASN A 117 -14.596 -0.481 -24.473 1.00 0.00 C ATOM 1194 CG ASN A 117 -15.892 -0.172 -25.197 1.00 0.00 C ATOM 1195 OD1 ASN A 117 -16.928 0.040 -24.574 1.00 0.00 O ATOM 1196 ND2 ASN A 117 -15.832 -0.145 -26.526 1.00 0.00 N ATOM 1197 HD22 ASN A 117 -14.930 -0.331 -27.010 1.00 0.00 H ATOM 1198 HD21 ASN A 117 -16.687 0.062 -27.081 1.00 0.00 H ATOM 1199 H ASN A 117 -13.856 2.197 -25.923 1.00 0.00 H ATOM 1200 N ILE A 118 -11.692 1.585 -23.323 1.00 0.00 N ATOM 1201 CA ILE A 118 -10.468 1.451 -22.555 1.00 0.00 C ATOM 1202 C ILE A 118 -10.808 1.275 -21.075 1.00 0.00 C ATOM 1203 O ILE A 118 -10.045 0.660 -20.332 1.00 0.00 O ATOM 1204 CB ILE A 118 -9.546 2.649 -22.799 1.00 0.00 C ATOM 1205 CG1 ILE A 118 -9.449 3.004 -24.292 1.00 0.00 C ATOM 1206 CG2 ILE A 118 -8.163 2.355 -22.216 1.00 0.00 C ATOM 1207 CD1 ILE A 118 -8.915 1.860 -25.157 1.00 0.00 C ATOM 1208 H ILE A 118 -11.924 2.494 -23.771 1.00 0.00 H ATOM 1209 N PHE A 119 -11.954 1.816 -20.655 1.00 0.00 N ATOM 1210 CA PHE A 119 -12.498 1.641 -19.313 1.00 0.00 C ATOM 1211 C PHE A 119 -13.785 0.818 -19.402 1.00 0.00 C ATOM 1212 O PHE A 119 -14.168 0.376 -20.482 1.00 0.00 O ATOM 1213 CB PHE A 119 -12.789 3.001 -18.671 1.00 0.00 C ATOM 1214 CG PHE A 119 -11.633 3.974 -18.664 1.00 0.00 C ATOM 1215 CD1 PHE A 119 -10.310 3.519 -18.600 1.00 0.00 C ATOM 1216 CD2 PHE A 119 -11.896 5.347 -18.723 1.00 0.00 C ATOM 1217 CE1 PHE A 119 -9.253 4.437 -18.621 1.00 0.00 C ATOM 1218 CE2 PHE A 119 -10.839 6.265 -18.755 1.00 0.00 C ATOM 1219 CZ PHE A 119 -9.516 5.809 -18.715 1.00 0.00 C ATOM 1220 H PHE A 119 -12.493 2.399 -21.327 1.00 0.00 H ATOM 1221 N SER A 120 -14.458 0.609 -18.266 1.00 0.00 N ATOM 1222 CA SER A 120 -15.704 -0.141 -18.240 1.00 0.00 C ATOM 1223 C SER A 120 -16.844 0.802 -18.611 1.00 0.00 C ATOM 1224 O SER A 120 -16.731 2.005 -18.394 1.00 0.00 O ATOM 1225 CB SER A 120 -15.916 -0.752 -16.855 1.00 0.00 C ATOM 1226 OG SER A 120 -14.804 -1.543 -16.499 1.00 0.00 O ATOM 1227 HG SER A 120 -14.952 -1.933 -15.601 1.00 0.00 H ATOM 1228 H SER A 120 -14.080 0.993 -17.376 1.00 0.00 H ATOM 1229 N LYS A 121 -17.942 0.282 -19.169 1.00 0.00 N ATOM 1230 CA LYS A 121 -19.037 1.142 -19.600 1.00 0.00 C ATOM 1231 C LYS A 121 -19.544 2.031 -18.465 1.00 0.00 C ATOM 1232 O LYS A 121 -19.942 3.169 -18.694 1.00 0.00 O ATOM 1233 CB LYS A 121 -20.173 0.284 -20.158 1.00 0.00 C ATOM 1234 CG LYS A 121 -21.419 1.165 -20.245 1.00 0.00 C ATOM 1235 CD LYS A 121 -22.468 0.622 -21.204 1.00 0.00 C ATOM 1236 CE LYS A 121 -21.936 0.695 -22.637 1.00 0.00 C ATOM 1237 NZ LYS A 121 -23.034 0.755 -23.617 1.00 0.00 N ATOM 1238 HZ1 LYS A 121 -23.624 -0.097 -23.527 1.00 0.00 H ATOM 1239 HZ2 LYS A 121 -23.613 1.600 -23.436 1.00 0.00 H ATOM 1240 HZ3 LYS A 121 -22.638 0.804 -24.577 1.00 0.00 H ATOM 1241 H LYS A 121 -18.016 -0.747 -19.297 1.00 0.00 H ATOM 1242 N GLN A 122 -19.531 1.521 -17.238 1.00 0.00 N ATOM 1243 CA GLN A 122 -19.914 2.314 -16.077 1.00 0.00 C ATOM 1244 C GLN A 122 -19.004 3.530 -15.939 1.00 0.00 C ATOM 1245 O GLN A 122 -19.479 4.635 -15.694 1.00 0.00 O ATOM 1246 CB GLN A 122 -19.874 1.448 -14.816 1.00 0.00 C ATOM 1247 CG GLN A 122 -18.472 0.962 -14.440 1.00 0.00 C ATOM 1248 CD GLN A 122 -18.536 -0.136 -13.389 1.00 0.00 C ATOM 1249 OE1 GLN A 122 -19.603 -0.487 -12.896 1.00 0.00 O ATOM 1250 NE2 GLN A 122 -17.380 -0.691 -13.035 1.00 0.00 N ATOM 1251 HE22 GLN A 122 -16.493 -0.370 -13.473 1.00 0.00 H ATOM 1252 HE21 GLN A 122 -17.363 -1.446 -12.320 1.00 0.00 H ATOM 1253 H GLN A 122 -19.240 0.532 -17.103 1.00 0.00 H ATOM 1254 N VAL A 123 -17.698 3.322 -16.099 1.00 0.00 N ATOM 1255 CA VAL A 123 -16.724 4.391 -16.054 1.00 0.00 C ATOM 1256 C VAL A 123 -16.963 5.349 -17.215 1.00 0.00 C ATOM 1257 O VAL A 123 -16.920 6.563 -17.036 1.00 0.00 O ATOM 1258 CB VAL A 123 -15.323 3.789 -16.124 1.00 0.00 C ATOM 1259 CG1 VAL A 123 -14.286 4.893 -15.965 1.00 0.00 C ATOM 1260 CG2 VAL A 123 -15.130 2.746 -15.024 1.00 0.00 C ATOM 1261 H VAL A 123 -17.365 2.351 -16.263 1.00 0.00 H ATOM 1262 N VAL A 124 -17.216 4.796 -18.408 1.00 0.00 N ATOM 1263 CA VAL A 124 -17.574 5.589 -19.576 1.00 0.00 C ATOM 1264 C VAL A 124 -18.771 6.482 -19.256 1.00 0.00 C ATOM 1265 O VAL A 124 -18.741 7.676 -19.543 1.00 0.00 O ATOM 1266 CB VAL A 124 -17.911 4.648 -20.737 1.00 0.00 C ATOM 1267 CG1 VAL A 124 -18.499 5.440 -21.901 1.00 0.00 C ATOM 1268 CG2 VAL A 124 -16.661 3.883 -21.177 1.00 0.00 C ATOM 1269 H VAL A 124 -17.155 3.762 -18.504 1.00 0.00 H ATOM 1270 N ASN A 125 -19.823 5.905 -18.662 1.00 0.00 N ATOM 1271 CA ASN A 125 -21.014 6.659 -18.316 1.00 0.00 C ATOM 1272 C ASN A 125 -20.674 7.722 -17.275 1.00 0.00 C ATOM 1273 O ASN A 125 -21.102 8.859 -17.411 1.00 0.00 O ATOM 1274 CB ASN A 125 -22.102 5.730 -17.772 1.00 0.00 C ATOM 1275 CG ASN A 125 -22.903 5.073 -18.884 1.00 0.00 C ATOM 1276 OD1 ASN A 125 -24.110 5.268 -18.982 1.00 0.00 O ATOM 1277 ND2 ASN A 125 -22.238 4.292 -19.730 1.00 0.00 N ATOM 1278 HD22 ASN A 125 -21.214 4.152 -19.613 1.00 0.00 H ATOM 1279 HD21 ASN A 125 -22.742 3.821 -20.509 1.00 0.00 H ATOM 1280 H ASN A 125 -19.786 4.889 -18.443 1.00 0.00 H ATOM 1281 N ASP A 126 -19.912 7.369 -16.241 1.00 0.00 N ATOM 1282 CA ASP A 126 -19.537 8.315 -15.203 1.00 0.00 C ATOM 1283 C ASP A 126 -18.776 9.504 -15.783 1.00 0.00 C ATOM 1284 O ASP A 126 -18.989 10.634 -15.345 1.00 0.00 O ATOM 1285 CB ASP A 126 -18.752 7.566 -14.127 1.00 0.00 C ATOM 1286 CG ASP A 126 -19.669 6.675 -13.293 1.00 0.00 C ATOM 1287 OD1 ASP A 126 -20.904 6.859 -13.392 1.00 0.00 O ATOM 1288 OD2 ASP A 126 -19.116 5.822 -12.566 1.00 0.00 O ATOM 1289 H ASP A 126 -19.575 6.387 -16.174 1.00 0.00 H ATOM 1290 N ILE A 127 -17.894 9.277 -16.760 1.00 0.00 N ATOM 1291 CA ILE A 127 -17.216 10.370 -17.438 1.00 0.00 C ATOM 1292 C ILE A 127 -18.245 11.223 -18.183 1.00 0.00 C ATOM 1293 O ILE A 127 -18.224 12.446 -18.068 1.00 0.00 O ATOM 1294 CB ILE A 127 -16.135 9.815 -18.381 1.00 0.00 C ATOM 1295 CG1 ILE A 127 -15.064 9.077 -17.572 1.00 0.00 C ATOM 1296 CG2 ILE A 127 -15.453 10.951 -19.146 1.00 0.00 C ATOM 1297 CD1 ILE A 127 -14.238 8.139 -18.439 1.00 0.00 C ATOM 1298 H ILE A 127 -17.688 8.297 -17.042 1.00 0.00 H ATOM 1299 N GLU A 128 -19.143 10.589 -18.944 1.00 0.00 N ATOM 1300 CA GLU A 128 -20.175 11.296 -19.694 1.00 0.00 C ATOM 1301 C GLU A 128 -21.094 12.100 -18.772 1.00 0.00 C ATOM 1302 O GLU A 128 -21.474 13.219 -19.113 1.00 0.00 O ATOM 1303 CB GLU A 128 -20.989 10.281 -20.504 1.00 0.00 C ATOM 1304 CG GLU A 128 -20.144 9.685 -21.634 1.00 0.00 C ATOM 1305 CD GLU A 128 -20.851 8.517 -22.323 1.00 0.00 C ATOM 1306 OE1 GLU A 128 -20.579 8.316 -23.528 1.00 0.00 O ATOM 1307 OE2 GLU A 128 -21.652 7.839 -21.645 1.00 0.00 O ATOM 1308 H GLU A 128 -19.104 9.551 -19.003 1.00 0.00 H ATOM 1309 N ARG A 129 -21.452 11.544 -17.612 1.00 0.00 N ATOM 1310 CA ARG A 129 -22.301 12.215 -16.634 1.00 0.00 C ATOM 1311 C ARG A 129 -21.621 13.460 -16.096 1.00 0.00 C ATOM 1312 O ARG A 129 -22.272 14.471 -15.843 1.00 0.00 O ATOM 1313 CB ARG A 129 -22.560 11.271 -15.459 1.00 0.00 C ATOM 1314 CG ARG A 129 -23.468 10.129 -15.895 1.00 0.00 C ATOM 1315 CD ARG A 129 -23.492 9.009 -14.851 1.00 0.00 C ATOM 1316 NE ARG A 129 -24.450 7.967 -15.234 1.00 0.00 N ATOM 1317 CZ ARG A 129 -24.329 6.663 -14.950 1.00 0.00 C ATOM 1318 NH1 ARG A 129 -23.278 6.181 -14.284 1.00 0.00 N ATOM 1319 NH2 ARG A 129 -25.283 5.815 -15.341 1.00 0.00 N ATOM 1320 HE ARG A 129 -25.291 8.264 -15.769 1.00 0.00 H ATOM 1321 HH12 ARG A 129 -23.214 5.163 -14.079 1.00 0.00 H ATOM 1322 HH11 ARG A 129 -22.523 6.823 -13.969 1.00 0.00 H ATOM 1323 HH22 ARG A 129 -25.198 4.801 -15.125 1.00 0.00 H ATOM 1324 HH21 ARG A 129 -26.111 6.168 -15.861 1.00 0.00 H ATOM 1325 H ARG A 129 -21.109 10.586 -17.395 1.00 0.00 H ATOM 1326 N SER A 130 -20.304 13.374 -15.923 1.00 0.00 N ATOM 1327 CA SER A 130 -19.528 14.467 -15.372 1.00 0.00 C ATOM 1328 C SER A 130 -19.473 15.649 -16.340 1.00 0.00 C ATOM 1329 O SER A 130 -19.703 16.791 -15.943 1.00 0.00 O ATOM 1330 CB SER A 130 -18.139 13.937 -15.047 1.00 0.00 C ATOM 1331 OG SER A 130 -17.513 14.745 -14.076 1.00 0.00 O ATOM 1332 HG SER A 130 -16.612 14.384 -13.879 1.00 0.00 H ATOM 1333 H SER A 130 -19.817 12.495 -16.192 1.00 0.00 H ATOM 1334 N LEU A 131 -19.168 15.363 -17.611 1.00 0.00 N ATOM 1335 CA LEU A 131 -19.240 16.328 -18.700 1.00 0.00 C ATOM 1336 C LEU A 131 -20.656 16.885 -18.817 1.00 0.00 C ATOM 1337 O LEU A 131 -20.844 18.086 -18.978 1.00 0.00 O ATOM 1338 CB LEU A 131 -18.890 15.624 -20.017 1.00 0.00 C ATOM 1339 CG LEU A 131 -17.519 14.947 -19.986 1.00 0.00 C ATOM 1340 CD1 LEU A 131 -17.419 13.982 -21.161 1.00 0.00 C ATOM 1341 CD2 LEU A 131 -16.394 15.971 -20.067 1.00 0.00 C ATOM 1342 H LEU A 131 -18.861 14.395 -17.835 1.00 0.00 H ATOM 1343 N ALA A 132 -21.659 16.002 -18.737 1.00 0.00 N ATOM 1344 CA ALA A 132 -23.057 16.381 -18.852 1.00 0.00 C ATOM 1345 C ALA A 132 -23.481 17.325 -17.730 1.00 0.00 C ATOM 1346 O ALA A 132 -24.134 18.330 -17.996 1.00 0.00 O ATOM 1347 CB ALA A 132 -23.911 15.113 -18.826 1.00 0.00 C ATOM 1348 H ALA A 132 -21.427 15.000 -18.586 1.00 0.00 H ATOM 1349 N ALA A 133 -23.114 17.009 -16.484 1.00 0.00 N ATOM 1350 CA ALA A 133 -23.480 17.810 -15.326 1.00 0.00 C ATOM 1351 C ALA A 133 -22.884 19.216 -15.388 1.00 0.00 C ATOM 1352 O ALA A 133 -23.351 20.111 -14.689 1.00 0.00 O ATOM 1353 CB ALA A 133 -23.015 17.084 -14.065 1.00 0.00 C ATOM 1354 H ALA A 133 -22.542 16.153 -16.336 1.00 0.00 H ATOM 1355 N ALA A 134 -21.856 19.415 -16.221 1.00 0.00 N ATOM 1356 CA ALA A 134 -21.224 20.714 -16.372 1.00 0.00 C ATOM 1357 C ALA A 134 -22.150 21.733 -17.044 1.00 0.00 C ATOM 1358 O ALA A 134 -22.006 22.933 -16.818 1.00 0.00 O ATOM 1359 CB ALA A 134 -19.970 20.533 -17.221 1.00 0.00 C ATOM 1360 H ALA A 134 -21.498 18.613 -16.779 1.00 0.00 H ATOM 1361 N LEU A 135 -23.093 21.259 -17.866 1.00 0.00 N ATOM 1362 CA LEU A 135 -24.052 22.116 -18.549 1.00 0.00 C ATOM 1363 C LEU A 135 -25.488 21.603 -18.414 1.00 0.00 C ATOM 1364 O LEU A 135 -26.407 22.183 -18.986 1.00 0.00 O ATOM 1365 CB LEU A 135 -23.652 22.246 -20.019 1.00 0.00 C ATOM 1366 CG LEU A 135 -23.616 20.893 -20.741 1.00 0.00 C ATOM 1367 CD1 LEU A 135 -24.136 21.069 -22.165 1.00 0.00 C ATOM 1368 CD2 LEU A 135 -22.185 20.368 -20.823 1.00 0.00 C ATOM 1369 H LEU A 135 -23.143 20.232 -18.024 1.00 0.00 H ATOM 1370 N GLU A 136 -25.672 20.518 -17.661 1.00 0.00 N ATOM 1371 CA GLU A 136 -26.961 19.889 -17.405 1.00 0.00 C ATOM 1372 C GLU A 136 -27.703 19.545 -18.701 1.00 0.00 C ATOM 1373 O GLU A 136 -28.828 19.985 -18.927 1.00 0.00 O ATOM 1374 CB GLU A 136 -27.781 20.720 -16.409 1.00 0.00 C ATOM 1375 CG GLU A 136 -29.026 19.978 -15.911 1.00 0.00 C ATOM 1376 CD GLU A 136 -28.718 18.544 -15.477 1.00 0.00 C ATOM 1377 OE1 GLU A 136 -29.561 17.666 -15.764 1.00 0.00 O ATOM 1378 OE2 GLU A 136 -27.647 18.342 -14.865 1.00 0.00 O ATOM 1379 H GLU A 136 -24.832 20.088 -17.223 1.00 0.00 H ATOM 1380 N HIS A 137 -27.056 18.748 -19.556 1.00 0.00 N ATOM 1381 CA HIS A 137 -27.650 18.252 -20.788 1.00 0.00 C ATOM 1382 C HIS A 137 -27.216 16.805 -21.000 1.00 0.00 C ATOM 1383 O HIS A 137 -26.120 16.425 -20.594 1.00 0.00 O ATOM 1384 CB HIS A 137 -27.253 19.137 -21.969 1.00 0.00 C ATOM 1385 CG HIS A 137 -27.777 18.609 -23.278 1.00 0.00 C ATOM 1386 ND1 HIS A 137 -29.125 18.538 -23.636 1.00 0.00 N ATOM 1387 CD2 HIS A 137 -27.013 18.124 -24.303 1.00 0.00 C ATOM 1388 CE1 HIS A 137 -29.137 18.009 -24.869 1.00 0.00 C ATOM 1389 NE2 HIS A 137 -27.887 17.751 -25.294 1.00 0.00 N ATOM 1390 H HIS A 137 -26.080 18.468 -19.330 1.00 0.00 H ATOM 1391 N HIS A 138 -28.071 15.998 -21.636 1.00 0.00 N ATOM 1392 CA HIS A 138 -27.880 14.555 -21.703 1.00 0.00 C ATOM 1393 C HIS A 138 -28.261 13.997 -23.073 1.00 0.00 C ATOM 1394 O HIS A 138 -28.704 14.739 -23.949 1.00 0.00 O ATOM 1395 CB HIS A 138 -28.721 13.903 -20.602 1.00 0.00 C ATOM 1396 CG HIS A 138 -28.485 14.511 -19.244 1.00 0.00 C ATOM 1397 ND1 HIS A 138 -27.399 14.236 -18.413 1.00 0.00 N ATOM 1398 CD2 HIS A 138 -29.299 15.425 -18.636 1.00 0.00 C ATOM 1399 CE1 HIS A 138 -27.584 15.004 -17.325 1.00 0.00 C ATOM 1400 NE2 HIS A 138 -28.715 15.725 -17.428 1.00 0.00 N ATOM 1401 H HIS A 138 -28.903 16.415 -22.100 1.00 0.00 H ATOM 1402 N HIS A 139 -28.086 12.683 -23.247 1.00 0.00 N ATOM 1403 CA HIS A 139 -28.406 11.995 -24.486 1.00 0.00 C ATOM 1404 C HIS A 139 -29.039 10.635 -24.189 1.00 0.00 C ATOM 1405 O HIS A 139 -28.866 10.092 -23.100 1.00 0.00 O ATOM 1406 CB HIS A 139 -27.150 11.865 -25.345 1.00 0.00 C ATOM 1407 CG HIS A 139 -27.414 11.152 -26.643 1.00 0.00 C ATOM 1408 ND1 HIS A 139 -28.316 11.573 -27.623 1.00 0.00 N ATOM 1409 CD2 HIS A 139 -26.815 9.995 -27.048 1.00 0.00 C ATOM 1410 CE1 HIS A 139 -28.241 10.648 -28.592 1.00 0.00 C ATOM 1411 NE2 HIS A 139 -27.353 9.689 -28.273 1.00 0.00 N ATOM 1412 H HIS A 139 -27.702 12.126 -22.457 1.00 0.00 H ATOM 1413 N HIS A 140 -29.772 10.092 -25.164 1.00 0.00 N ATOM 1414 CA HIS A 140 -30.544 8.867 -25.003 1.00 0.00 C ATOM 1415 C HIS A 140 -29.710 7.594 -25.137 1.00 0.00 C ATOM 1416 O HIS A 140 -30.270 6.500 -25.081 1.00 0.00 O ATOM 1417 CB HIS A 140 -31.690 8.859 -26.017 1.00 0.00 C ATOM 1418 CG HIS A 140 -32.552 10.092 -25.952 1.00 0.00 C ATOM 1419 ND1 HIS A 140 -32.197 11.353 -26.439 1.00 0.00 N ATOM 1420 CD2 HIS A 140 -33.802 10.153 -25.408 1.00 0.00 C ATOM 1421 CE1 HIS A 140 -33.250 12.141 -26.174 1.00 0.00 C ATOM 1422 NE2 HIS A 140 -34.227 11.451 -25.557 1.00 0.00 N ATOM 1423 H HIS A 140 -29.793 10.569 -26.088 1.00 0.00 H ATOM 1424 N HIS A 141 -28.388 7.709 -25.313 1.00 0.00 N ATOM 1425 CA HIS A 141 -27.537 6.541 -25.489 1.00 0.00 C ATOM 1426 C HIS A 141 -26.183 6.736 -24.806 1.00 0.00 C ATOM 1427 O HIS A 141 -25.714 7.864 -24.656 1.00 0.00 O ATOM 1428 CB HIS A 141 -27.340 6.245 -26.981 1.00 0.00 C ATOM 1429 CG HIS A 141 -28.623 6.156 -27.764 1.00 0.00 C ATOM 1430 ND1 HIS A 141 -29.288 7.231 -28.359 1.00 0.00 N ATOM 1431 CD2 HIS A 141 -29.321 5.005 -28.003 1.00 0.00 C ATOM 1432 CE1 HIS A 141 -30.372 6.697 -28.943 1.00 0.00 C ATOM 1433 NE2 HIS A 141 -30.419 5.367 -28.745 1.00 0.00 N ATOM 1434 H HIS A 141 -27.958 8.656 -25.324 1.00 0.00 H ATOM 1435 N HIS A 142 -25.565 5.620 -24.396 1.00 0.00 N ATOM 1436 CA HIS A 142 -24.286 5.620 -23.708 1.00 0.00 C ATOM 1437 C HIS A 142 -23.482 4.387 -24.112 1.00 0.00 C ATOM 1438 O HIS A 142 -23.873 3.273 -23.687 1.00 0.00 O ATOM 1439 CB HIS A 142 -24.505 5.664 -22.193 1.00 0.00 C ATOM 1440 CG HIS A 142 -25.385 6.801 -21.743 1.00 0.00 C ATOM 1441 ND1 HIS A 142 -26.782 6.814 -21.792 1.00 0.00 N ATOM 1442 CD2 HIS A 142 -24.946 7.986 -21.227 1.00 0.00 C ATOM 1443 CE1 HIS A 142 -27.143 8.013 -21.307 1.00 0.00 C ATOM 1444 NE2 HIS A 142 -26.066 8.735 -20.957 1.00 0.00 N ATOM 1445 OXT HIS A 142 -22.487 4.579 -24.840 1.00 0.00 O ATOM 1446 H HIS A 142 -26.025 4.706 -24.580 1.00 0.00 H TER 1447 HIS A 142 HETATM 1448 N PRO A 1 4.247 21.125 -28.830 1.00 0.25 N HETATM 1449 CA PRO A 1 3.127 20.172 -28.735 1.00 0.07 C HETATM 1450 C PRO A 1 2.866 19.476 -30.073 1.00 0.23 C HETATM 1451 O PRO A 1 3.098 20.060 -31.129 1.00 -0.39 O HETATM 1452 N PRO A 1 2.384 18.227 -30.030 1.00 -0.26 N HETATM 1453 CA PRO A 1 2.114 17.449 -31.236 1.00 0.15 C HETATM 1454 C PRO A 1 1.339 16.155 -30.957 1.00 0.21 C HETATM 1455 O PRO A 1 1.139 15.365 -31.881 1.00 -0.39 O HETATM 1456 N PRO A 1 0.898 15.916 -29.717 1.00 -0.26 N HETATM 1457 CA PRO A 1 0.264 14.652 -29.357 1.00 0.14 C HETATM 1458 C PRO A 1 -1.155 14.547 -29.916 1.00 0.21 C HETATM 1459 O PRO A 1 -1.860 15.548 -30.038 1.00 -0.39 O HETATM 1460 N PRO A 1 -1.566 13.320 -30.256 1.00 -0.26 N HETATM 1461 CA PRO A 1 -2.901 13.028 -30.759 1.00 0.15 C HETATM 1462 C PRO A 1 -3.754 12.421 -29.649 1.00 0.21 C HETATM 1463 O PRO A 1 -3.345 11.435 -29.044 1.00 -0.39 O HETATM 1464 N PRO A 1 -4.935 12.988 -29.367 1.00 -0.25 N HETATM 1465 CA PRO A 1 -5.876 12.480 -28.377 1.00 0.13 C HETATM 1466 C PRO A 1 -6.551 11.195 -28.868 1.00 0.20 C HETATM 1467 O PRO A 1 -7.546 10.757 -28.293 1.00 -0.39 O HETATM 1468 N PRO A 1 -6.006 10.595 -29.933 1.00 -0.26 N HETATM 1469 CA PRO A 1 -6.567 9.422 -30.587 1.00 0.16 C HETATM 1470 CB PRO A 1 -6.920 9.777 -32.036 1.00 0.13 C HETATM 1471 CG2 PRO A 1 -7.560 8.607 -32.783 1.00 -0.03 C HETATM 1472 H39 PRO A 1 -7.793 8.913 -33.813 1.00 0.03 H HETATM 1473 H40 PRO A 1 -8.487 8.308 -32.271 1.00 0.03 H HETATM 1474 H41 PRO A 1 -6.861 7.758 -32.802 1.00 0.03 H HETATM 1475 OG1 PRO A 1 -7.783 10.894 -32.008 1.00 -0.27 O HETATM 1476 P PRO A 1 -7.672 12.050 -33.119 1.00 0.20 P HETATM 1477 O1P PRO A 1 -8.167 11.383 -34.340 1.00 -0.55 O HETATM 1478 O2P PRO A 1 -8.567 13.099 -32.585 1.00 -0.55 O HETATM 1479 O3P PRO A 1 -6.232 12.400 -33.121 1.00 -0.55 O HETATM 1480 H38 PRO A 1 -5.996 10.053 -32.565 1.00 0.07 H HETATM 1481 C PRO A 1 -5.572 8.278 -30.507 1.00 0.21 C HETATM 1482 O PRO A 1 -5.900 7.223 -29.974 1.00 -0.39 O HETATM 1483 N PRO A 1 -4.361 8.500 -31.037 1.00 -0.26 N HETATM 1484 CA PRO A 1 -3.284 7.519 -31.092 1.00 0.15 C HETATM 1485 C PRO A 1 -3.649 6.261 -31.891 1.00 0.21 C HETATM 1486 O PRO A 1 -4.780 5.786 -31.835 1.00 -0.39 O HETATM 1487 N PRO A 1 -2.694 5.702 -32.649 1.00 -0.25 N HETATM 1488 CA PRO A 1 -2.897 4.466 -33.391 1.00 0.13 C HETATM 1489 C PRO A 1 -2.875 3.236 -32.481 1.00 0.20 C HETATM 1490 O PRO A 1 -3.201 2.140 -32.938 1.00 -0.39 O HETATM 1491 N PRO A 1 -2.499 3.391 -31.204 1.00 -0.26 N HETATM 1492 CA PRO A 1 -2.383 2.253 -30.303 1.00 0.15 C HETATM 1493 C PRO A 1 -3.753 1.803 -29.797 1.00 0.21 C HETATM 1494 O PRO A 1 -4.531 2.611 -29.292 1.00 -0.39 O HETATM 1495 N PRO A 1 -4.034 0.503 -29.938 1.00 -0.26 N HETATM 1496 CA PRO A 1 -5.244 -0.139 -29.450 1.00 0.14 C HETATM 1497 C PRO A 1 -5.071 -1.655 -29.547 1.00 0.21 C HETATM 1498 O PRO A 1 -4.184 -2.137 -30.251 1.00 -0.39 O HETATM 1499 N PRO A 1 -5.920 -2.410 -28.840 1.00 -0.26 N HETATM 1500 CA PRO A 1 -5.893 -3.865 -28.856 1.00 0.15 C HETATM 1501 C PRO A 1 -7.285 -4.403 -28.524 1.00 0.21 C HETATM 1502 O PRO A 1 -7.991 -3.793 -27.722 1.00 -0.39 O HETATM 1503 N PRO A 1 -7.700 -5.530 -29.119 1.00 -0.25 N HETATM 1504 CA PRO A 1 -9.005 -6.125 -28.885 1.00 0.13 C HETATM 1505 C PRO A 1 -9.258 -6.396 -27.403 1.00 0.20 C HETATM 1506 O PRO A 1 -8.327 -6.640 -26.637 1.00 -0.39 O HETATM 1507 N PRO A 1 -10.531 -6.352 -26.998 1.00 -0.26 N HETATM 1508 CA PRO A 1 -10.910 -6.597 -25.616 1.00 0.16 C HETATM 1509 C PRO A 1 -10.845 -8.092 -25.318 1.00 0.21 C HETATM 1510 O PRO A 1 -11.183 -8.909 -26.170 1.00 -0.39 O HETATM 1511 N PRO A 1 -10.412 -8.452 -24.107 1.00 -0.26 N HETATM 1512 CA PRO A 1 -10.290 -9.846 -23.697 1.00 0.15 C HETATM 1513 C PRO A 1 -10.341 -9.948 -22.175 1.00 0.21 C HETATM 1514 O PRO A 1 -9.824 -9.066 -21.492 1.00 -0.39 O HETATM 1515 N PRO A 1 -10.955 -11.007 -21.628 1.00 -0.25 N HETATM 1516 CA PRO A 1 -11.036 -11.239 -20.194 1.00 0.13 C HETATM 1517 C PRO A 1 -9.690 -11.674 -19.619 1.00 0.20 C HETATM 1518 O PRO A 1 -9.531 -11.727 -18.402 1.00 -0.39 O HETATM 1519 N PRO A 1 -8.720 -11.984 -20.488 1.00 -0.27 N HETATM 1520 CA PRO A 1 -7.383 -12.395 -20.088 1.00 0.12 C HETATM 1521 C PRO A 1 -6.394 -12.167 -21.228 1.00 0.06 C HETATM 1522 O PRO A 1 -6.801 -11.541 -22.231 1.00 -0.57 O HETATM 1523 OXT PRO A 1 -5.237 -12.621 -21.090 1.00 -0.57 O HETATM 1524 CB PRO A 1 -7.398 -13.869 -19.686 1.00 0.08 C HETATM 1525 OG PRO A 1 -6.082 -14.248 -19.359 1.00 -0.39 O HETATM 1526 H103 PRO A 1 -5.520 -14.120 -20.114 1.00 0.21 H HETATM 1527 H101 PRO A 1 -7.764 -14.480 -20.524 1.00 0.06 H HETATM 1528 H102 PRO A 1 -8.054 -14.011 -18.814 1.00 0.06 H HETATM 1529 H100 PRO A 1 -7.070 -11.793 -19.222 1.00 0.07 H HETATM 1530 H99 PRO A 1 -8.926 -11.930 -21.465 1.00 0.19 H HETATM 1531 CB PRO A 1 -12.070 -12.353 -20.042 1.00 -0.01 C HETATM 1532 CG PRO A 1 -11.900 -13.156 -21.330 1.00 -0.03 C HETATM 1533 CD PRO A 1 -11.619 -12.067 -22.364 1.00 0.04 C HETATM 1534 H97 PRO A 1 -10.966 -12.451 -23.161 1.00 0.05 H HETATM 1535 H98 PRO A 1 -12.558 -11.701 -22.804 1.00 0.05 H HETATM 1536 H95 PRO A 1 -12.817 -13.711 -21.576 1.00 0.03 H HETATM 1537 H96 PRO A 1 -11.056 -13.858 -21.253 1.00 0.03 H HETATM 1538 H93 PRO A 1 -13.087 -11.941 -19.964 1.00 0.03 H HETATM 1539 H94 PRO A 1 -11.857 -12.973 -19.159 1.00 0.03 H HETATM 1540 H92 PRO A 1 -11.372 -10.328 -19.678 1.00 0.08 H HETATM 1541 CB PRO A 1 -8.971 -10.403 -24.236 1.00 0.08 C HETATM 1542 OG PRO A 1 -8.715 -11.685 -23.708 1.00 -0.39 O HETATM 1543 H91 PRO A 1 -8.661 -11.631 -22.761 1.00 0.21 H HETATM 1544 H89 PRO A 1 -8.151 -9.726 -23.953 1.00 0.06 H HETATM 1545 H90 PRO A 1 -9.029 -10.470 -25.332 1.00 0.06 H HETATM 1546 H88 PRO A 1 -11.125 -10.424 -24.120 1.00 0.08 H HETATM 1547 H87 PRO A 1 -10.161 -7.737 -23.455 1.00 0.19 H HETATM 1548 CB PRO A 1 -12.310 -6.035 -25.355 1.00 0.09 C HETATM 1549 OG1 PRO A 1 -12.317 -4.649 -25.623 1.00 -0.39 O HETATM 1550 H83 PRO A 1 -13.186 -4.301 -25.461 1.00 0.21 H HETATM 1551 CG2 PRO A 1 -12.727 -6.260 -23.904 1.00 -0.03 C HETATM 1552 H84 PRO A 1 -13.734 -5.848 -23.744 1.00 0.03 H HETATM 1553 H85 PRO A 1 -12.014 -5.756 -23.235 1.00 0.03 H HETATM 1554 H86 PRO A 1 -12.733 -7.338 -23.687 1.00 0.03 H HETATM 1555 H82 PRO A 1 -13.028 -6.539 -26.018 1.00 0.06 H HETATM 1556 H81 PRO A 1 -10.198 -6.079 -24.956 1.00 0.08 H HETATM 1557 H80 PRO A 1 -11.245 -6.144 -27.666 1.00 0.19 H HETATM 1558 CB PRO A 1 -9.014 -7.426 -29.692 1.00 -0.01 C HETATM 1559 CG PRO A 1 -7.993 -7.162 -30.796 1.00 -0.03 C HETATM 1560 CD PRO A 1 -6.950 -6.315 -30.079 1.00 0.04 C HETATM 1561 H78 PRO A 1 -6.218 -6.956 -29.566 1.00 0.05 H HETATM 1562 H79 PRO A 1 -6.428 -5.659 -30.791 1.00 0.05 H HETATM 1563 H76 PRO A 1 -8.446 -6.611 -31.634 1.00 0.03 H HETATM 1564 H77 PRO A 1 -7.556 -8.101 -31.168 1.00 0.03 H HETATM 1565 H74 PRO A 1 -10.011 -7.620 -30.115 1.00 0.03 H HETATM 1566 H75 PRO A 1 -8.708 -8.279 -29.068 1.00 0.03 H HETATM 1567 H73 PRO A 1 -9.790 -5.450 -29.256 1.00 0.08 H HETATM 1568 CB PRO A 1 -4.861 -4.360 -27.845 1.00 0.08 C HETATM 1569 OG PRO A 1 -4.830 -5.770 -27.820 1.00 -0.39 O HETATM 1570 H72 PRO A 1 -4.184 -6.060 -27.187 1.00 0.21 H HETATM 1571 H70 PRO A 1 -5.126 -3.986 -26.845 1.00 0.06 H HETATM 1572 H71 PRO A 1 -3.868 -3.981 -28.127 1.00 0.06 H HETATM 1573 H69 PRO A 1 -5.606 -4.212 -29.860 1.00 0.08 H HETATM 1574 H68 PRO A 1 -6.606 -1.953 -28.274 1.00 0.19 H HETATM 1575 CB PRO A 1 -6.448 0.327 -30.277 1.00 0.02 C HETATM 1576 CG PRO A 1 -7.710 -0.475 -30.061 1.00 -0.05 C HETATM 1577 CD1 PRO A 1 -8.261 -1.213 -31.119 1.00 -0.07 C HETATM 1578 CE1 PRO A 1 -9.432 -1.960 -30.925 1.00 -0.04 C HETATM 1579 CZ PRO A 1 -10.059 -1.970 -29.663 1.00 0.08 C HETATM 1580 CE2 PRO A 1 -9.503 -1.229 -28.601 1.00 -0.04 C HETATM 1581 CD2 PRO A 1 -8.335 -0.480 -28.804 1.00 -0.07 C HETATM 1582 H64 PRO A 1 -7.914 0.097 -27.988 1.00 0.05 H HETATM 1583 H66 PRO A 1 -9.978 -1.238 -27.627 1.00 0.05 H HETATM 1584 OH PRO A 1 -11.198 -2.691 -29.465 1.00 -0.34 O HETATM 1585 H67 PRO A 1 -11.439 -3.129 -30.273 1.00 0.25 H HETATM 1586 H65 PRO A 1 -9.854 -2.529 -31.745 1.00 0.05 H HETATM 1587 H63 PRO A 1 -7.780 -1.206 -32.090 1.00 0.05 H HETATM 1588 H61 PRO A 1 -6.178 0.262 -31.341 1.00 0.05 H HETATM 1589 H62 PRO A 1 -6.659 1.375 -30.015 1.00 0.05 H HETATM 1590 H60 PRO A 1 -5.405 0.139 -28.398 1.00 0.08 H HETATM 1591 H59 PRO A 1 -3.364 -0.068 -30.413 1.00 0.19 H HETATM 1592 CB PRO A 1 -1.461 2.596 -29.134 1.00 0.08 C HETATM 1593 OG PRO A 1 -1.387 1.493 -28.254 1.00 -0.39 O HETATM 1594 H58 PRO A 1 -0.814 1.707 -27.527 1.00 0.21 H HETATM 1595 H56 PRO A 1 -1.860 3.468 -28.596 1.00 0.06 H HETATM 1596 H57 PRO A 1 -0.456 2.829 -29.516 1.00 0.06 H HETATM 1597 H55 PRO A 1 -1.935 1.418 -30.862 1.00 0.08 H HETATM 1598 H54 PRO A 1 -2.294 4.308 -30.863 1.00 0.19 H HETATM 1599 CB PRO A 1 -1.735 4.417 -34.379 1.00 -0.01 C HETATM 1600 CG PRO A 1 -0.611 5.112 -33.615 1.00 -0.03 C HETATM 1601 CD PRO A 1 -1.351 6.212 -32.856 1.00 0.04 C HETATM 1602 H52 PRO A 1 -0.862 6.410 -31.891 1.00 0.05 H HETATM 1603 H53 PRO A 1 -1.378 7.138 -33.450 1.00 0.05 H HETATM 1604 H50 PRO A 1 0.133 5.537 -34.304 1.00 0.03 H HETATM 1605 H51 PRO A 1 -0.114 4.417 -32.922 1.00 0.03 H HETATM 1606 H48 PRO A 1 -1.979 4.959 -35.305 1.00 0.03 H HETATM 1607 H49 PRO A 1 -1.465 3.379 -34.622 1.00 0.03 H HETATM 1608 H47 PRO A 1 -3.857 4.499 -33.926 1.00 0.08 H HETATM 1609 CB PRO A 1 -2.831 7.173 -29.669 1.00 0.08 C HETATM 1610 OG PRO A 1 -1.813 6.195 -29.702 1.00 -0.39 O HETATM 1611 H46 PRO A 1 -1.543 5.991 -28.814 1.00 0.21 H HETATM 1612 H44 PRO A 1 -3.688 6.785 -29.100 1.00 0.06 H HETATM 1613 H45 PRO A 1 -2.447 8.080 -29.180 1.00 0.06 H HETATM 1614 H43 PRO A 1 -2.435 7.992 -31.608 1.00 0.08 H HETATM 1615 H42 PRO A 1 -4.183 9.405 -31.423 1.00 0.19 H HETATM 1616 H37 PRO A 1 -7.487 9.123 -30.064 1.00 0.08 H HETATM 1617 H36 PRO A 1 -5.159 10.977 -30.303 1.00 0.19 H HETATM 1618 CB PRO A 1 -6.894 13.601 -28.184 1.00 -0.01 C HETATM 1619 CG PRO A 1 -6.926 14.270 -29.553 1.00 -0.03 C HETATM 1620 CD PRO A 1 -5.468 14.183 -29.999 1.00 0.04 C HETATM 1621 H34 PRO A 1 -5.406 14.098 -31.094 1.00 0.05 H HETATM 1622 H35 PRO A 1 -4.912 15.073 -29.668 1.00 0.05 H HETATM 1623 H32 PRO A 1 -7.256 15.316 -29.476 1.00 0.03 H HETATM 1624 H33 PRO A 1 -7.586 13.727 -30.245 1.00 0.03 H HETATM 1625 H30 PRO A 1 -6.564 14.306 -27.407 1.00 0.03 H HETATM 1626 H31 PRO A 1 -7.882 13.197 -27.918 1.00 0.03 H HETATM 1627 H29 PRO A 1 -5.356 12.272 -27.430 1.00 0.08 H HETATM 1628 CB PRO A 1 -2.795 12.054 -31.932 1.00 0.08 C HETATM 1629 OG PRO A 1 -4.006 11.357 -32.131 1.00 -0.39 O HETATM 1630 H28 PRO A 1 -4.701 11.978 -32.315 1.00 0.21 H HETATM 1631 H26 PRO A 1 -1.994 11.329 -31.724 1.00 0.06 H HETATM 1632 H27 PRO A 1 -2.552 12.617 -32.845 1.00 0.06 H HETATM 1633 H25 PRO A 1 -3.371 13.961 -31.104 1.00 0.08 H HETATM 1634 H24 PRO A 1 -0.921 12.562 -30.159 1.00 0.19 H HETATM 1635 CB PRO A 1 0.285 14.504 -27.831 1.00 0.02 C HETATM 1636 CG PRO A 1 -0.432 13.277 -27.312 1.00 -0.05 C HETATM 1637 CD1 PRO A 1 0.252 12.061 -27.179 1.00 -0.07 C HETATM 1638 CE1 PRO A 1 -0.416 10.921 -26.711 1.00 -0.04 C HETATM 1639 CZ PRO A 1 -1.777 11.000 -26.362 1.00 0.08 C HETATM 1640 CE2 PRO A 1 -2.455 12.228 -26.476 1.00 -0.04 C HETATM 1641 CD2 PRO A 1 -1.785 13.357 -26.961 1.00 -0.07 C HETATM 1642 H20 PRO A 1 -2.315 14.297 -27.065 1.00 0.05 H HETATM 1643 H22 PRO A 1 -3.498 12.300 -26.188 1.00 0.05 H HETATM 1644 OH PRO A 1 -2.438 9.897 -25.918 1.00 -0.34 O HETATM 1645 H23 PRO A 1 -3.163 9.707 -26.502 1.00 0.25 H HETATM 1646 H21 PRO A 1 0.115 9.980 -26.618 1.00 0.05 H HETATM 1647 H19 PRO A 1 1.303 12.002 -27.439 1.00 0.05 H HETATM 1648 H17 PRO A 1 -0.193 15.393 -27.393 1.00 0.05 H HETATM 1649 H18 PRO A 1 1.334 14.453 -27.505 1.00 0.05 H HETATM 1650 H16 PRO A 1 0.856 13.833 -29.791 1.00 0.08 H HETATM 1651 H15 PRO A 1 1.006 16.623 -29.018 1.00 0.19 H HETATM 1652 CB PRO A 1 3.436 17.084 -31.922 1.00 0.08 C HETATM 1653 OG PRO A 1 4.054 16.012 -31.251 1.00 -0.39 O HETATM 1654 H14 PRO A 1 3.478 15.257 -31.265 1.00 0.21 H HETATM 1655 H12 PRO A 1 4.106 17.956 -31.907 1.00 0.06 H HETATM 1656 H13 PRO A 1 3.236 16.793 -32.964 1.00 0.06 H HETATM 1657 H11 PRO A 1 1.516 18.071 -31.918 1.00 0.08 H HETATM 1658 H10 PRO A 1 2.202 17.812 -29.139 1.00 0.19 H HETATM 1659 CB PRO A 1 1.930 21.008 -28.311 1.00 0.01 C HETATM 1660 CG PRO A 1 2.114 22.277 -29.140 1.00 -0.01 C HETATM 1661 CD PRO A 1 3.632 22.371 -29.335 1.00 -0.03 C HETATM 1662 H8 PRO A 1 3.862 22.492 -30.404 1.00 0.08 H HETATM 1663 H9 PRO A 1 4.025 23.233 -28.776 1.00 0.08 H HETATM 1664 H6 PRO A 1 1.733 23.156 -28.600 1.00 0.03 H HETATM 1665 H7 PRO A 1 1.599 22.190 -30.108 1.00 0.03 H HETATM 1666 H4 PRO A 1 1.958 21.228 -27.234 1.00 0.03 H HETATM 1667 H5 PRO A 1 0.984 20.504 -28.558 1.00 0.03 H HETATM 1668 H3 PRO A 1 3.345 19.409 -27.973 1.00 0.11 H HETATM 1669 H1 PRO A 1 4.948 20.788 -29.472 1.00 0.20 H HETATM 1670 H2 PRO A 1 4.665 21.275 -27.925 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1448 1449 1661 1669 1670 CONECT 1449 1448 1450 1659 1668 CONECT 1450 1449 1451 1452 CONECT 1451 1450 CONECT 1452 1450 1453 1658 CONECT 1453 1452 1454 1652 1657 CONECT 1454 1453 1455 1456 CONECT 1455 1454 CONECT 1456 1454 1457 1651 CONECT 1457 1456 1458 1635 1650 CONECT 1458 1457 1459 1460 CONECT 1459 1458 CONECT 1460 1458 1461 1634 CONECT 1461 1460 1462 1628 1633 CONECT 1462 1461 1463 1464 CONECT 1463 1462 CONECT 1464 1462 1465 1620 CONECT 1465 1464 1466 1618 1627 CONECT 1466 1465 1467 1468 CONECT 1467 1466 CONECT 1468 1466 1469 1617 CONECT 1469 1468 1470 1481 1616 CONECT 1470 1469 1471 1475 1480 CONECT 1471 1470 1472 1473 1474 CONECT 1472 1471 CONECT 1473 1471 CONECT 1474 1471 CONECT 1475 1470 1476 CONECT 1476 1475 1477 1478 1479 CONECT 1477 1476 CONECT 1478 1476 CONECT 1479 1476 CONECT 1480 1470 CONECT 1481 1469 1482 1483 CONECT 1482 1481 CONECT 1483 1481 1484 1615 CONECT 1484 1483 1485 1609 1614 CONECT 1485 1484 1486 1487 CONECT 1486 1485 CONECT 1487 1485 1488 1601 CONECT 1488 1487 1489 1599 1608 CONECT 1489 1488 1490 1491 CONECT 1490 1489 CONECT 1491 1489 1492 1598 CONECT 1492 1491 1493 1592 1597 CONECT 1493 1492 1494 1495 CONECT 1494 1493 CONECT 1495 1493 1496 1591 CONECT 1496 1495 1497 1575 1590 CONECT 1497 1496 1498 1499 CONECT 1498 1497 CONECT 1499 1497 1500 1574 CONECT 1500 1499 1501 1568 1573 CONECT 1501 1500 1502 1503 CONECT 1502 1501 CONECT 1503 1501 1504 1560 CONECT 1504 1503 1505 1558 1567 CONECT 1505 1504 1506 1507 CONECT 1506 1505 CONECT 1507 1505 1508 1557 CONECT 1508 1507 1509 1548 1556 CONECT 1509 1508 1510 1511 CONECT 1510 1509 CONECT 1511 1509 1512 1547 CONECT 1512 1511 1513 1541 1546 CONECT 1513 1512 1514 1515 CONECT 1514 1513 CONECT 1515 1513 1516 1533 CONECT 1516 1515 1517 1531 1540 CONECT 1517 1516 1518 1519 CONECT 1518 1517 CONECT 1519 1517 1520 1530 CONECT 1520 1519 1521 1524 1529 CONECT 1521 1520 1522 1523 CONECT 1522 1521 CONECT 1523 1521 CONECT 1524 1520 1525 1527 1528 CONECT 1525 1524 1526 CONECT 1526 1525 CONECT 1527 1524 CONECT 1528 1524 CONECT 1529 1520 CONECT 1530 1519 CONECT 1531 1516 1532 1538 1539 CONECT 1532 1531 1533 1536 1537 CONECT 1533 1515 1532 1534 1535 CONECT 1534 1533 CONECT 1535 1533 CONECT 1536 1532 CONECT 1537 1532 CONECT 1538 1531 CONECT 1539 1531 CONECT 1540 1516 CONECT 1541 1512 1542 1544 1545 CONECT 1542 1541 1543 CONECT 1543 1542 CONECT 1544 1541 CONECT 1545 1541 CONECT 1546 1512 CONECT 1547 1511 CONECT 1548 1508 1549 1551 1555 CONECT 1549 1548 1550 CONECT 1550 1549 CONECT 1551 1548 1552 1553 1554 CONECT 1552 1551 CONECT 1553 1551 CONECT 1554 1551 CONECT 1555 1548 CONECT 1556 1508 CONECT 1557 1507 CONECT 1558 1504 1559 1565 1566 CONECT 1559 1558 1560 1563 1564 CONECT 1560 1503 1559 1561 1562 CONECT 1561 1560 CONECT 1562 1560 CONECT 1563 1559 CONECT 1564 1559 CONECT 1565 1558 CONECT 1566 1558 CONECT 1567 1504 CONECT 1568 1500 1569 1571 1572 CONECT 1569 1568 1570 CONECT 1570 1569 CONECT 1571 1568 CONECT 1572 1568 CONECT 1573 1500 CONECT 1574 1499 CONECT 1575 1496 1576 1588 1589 CONECT 1576 1575 1577 1581 CONECT 1577 1576 1578 1587 CONECT 1578 1577 1579 1586 CONECT 1579 1578 1580 1584 CONECT 1580 1579 1581 1583 CONECT 1581 1576 1580 1582 CONECT 1582 1581 CONECT 1583 1580 CONECT 1584 1579 1585 CONECT 1585 1584 CONECT 1586 1578 CONECT 1587 1577 CONECT 1588 1575 CONECT 1589 1575 CONECT 1590 1496 CONECT 1591 1495 CONECT 1592 1492 1593 1595 1596 CONECT 1593 1592 1594 CONECT 1594 1593 CONECT 1595 1592 CONECT 1596 1592 CONECT 1597 1492 CONECT 1598 1491 CONECT 1599 1488 1600 1606 1607 CONECT 1600 1599 1601 1604 1605 CONECT 1601 1487 1600 1602 1603 CONECT 1602 1601 CONECT 1603 1601 CONECT 1604 1600 CONECT 1605 1600 CONECT 1606 1599 CONECT 1607 1599 CONECT 1608 1488 CONECT 1609 1484 1610 1612 1613 CONECT 1610 1609 1611 CONECT 1611 1610 CONECT 1612 1609 CONECT 1613 1609 CONECT 1614 1484 CONECT 1615 1483 CONECT 1616 1469 CONECT 1617 1468 CONECT 1618 1465 1619 1625 1626 CONECT 1619 1618 1620 1623 1624 CONECT 1620 1464 1619 1621 1622 CONECT 1621 1620 CONECT 1622 1620 CONECT 1623 1619 CONECT 1624 1619 CONECT 1625 1618 CONECT 1626 1618 CONECT 1627 1465 CONECT 1628 1461 1629 1631 1632 CONECT 1629 1628 1630 CONECT 1630 1629 CONECT 1631 1628 CONECT 1632 1628 CONECT 1633 1461 CONECT 1634 1460 CONECT 1635 1457 1636 1648 1649 CONECT 1636 1635 1637 1641 CONECT 1637 1636 1638 1647 CONECT 1638 1637 1639 1646 CONECT 1639 1638 1640 1644 CONECT 1640 1639 1641 1643 CONECT 1641 1636 1640 1642 CONECT 1642 1641 CONECT 1643 1640 CONECT 1644 1639 1645 CONECT 1645 1644 CONECT 1646 1638 CONECT 1647 1637 CONECT 1648 1635 CONECT 1649 1635 CONECT 1650 1457 CONECT 1651 1456 CONECT 1652 1453 1653 1655 1656 CONECT 1653 1652 1654 CONECT 1654 1653 CONECT 1655 1652 CONECT 1656 1652 CONECT 1657 1453 CONECT 1658 1452 CONECT 1659 1449 1660 1666 1667 CONECT 1660 1659 1661 1664 1665 CONECT 1661 1448 1660 1662 1663 CONECT 1662 1661 CONECT 1663 1661 CONECT 1664 1660 CONECT 1665 1660 CONECT 1666 1659 CONECT 1667 1659 CONECT 1668 1449 CONECT 1669 1448 CONECT 1670 1448 MASTER 0 0 0 0 0 0 0 0 1669 1 227 11 END
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142aa, >2L0I_1|Chain... *
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16-mer
4pz5
RCSB PDB
PDBbind
16-mer
4qq4
RCSB PDB
PDBbind
16-mer
4tzm
RCSB PDB
PDBbind
16-mer
4tzn
RCSB PDB
PDBbind
16-mer
4u2w
RCSB PDB
PDBbind
16-mer
4ud7
RCSB PDB
PDBbind
16-mer
4ue1
RCSB PDB
PDBbind
16-mer
4wci
RCSB PDB
PDBbind
16-mer
4wy7
RCSB PDB
PDBbind
16-mer
4yhp
RCSB PDB
PDBbind
16-mer
4zdu
RCSB PDB
PDBbind
16-mer
5eta
RCSB PDB
PDBbind
16-mer
5hhx
RCSB PDB
PDBbind
16-mer
5iay
RCSB PDB
PDBbind
16-mer
5icx
RCSB PDB
PDBbind
16-mer
5iy4
RCSB PDB
PDBbind
16-mer
5klr
RCSB PDB
PDBbind
16-mer
5klt
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
5lvf
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
phosphorylated threonine-4
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=15uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) EMBO Rep. Vol. 18: pp. 906-913
Ligand Properties
Formula
C
7
2
H
1
0
7
N
1
6
O
3
1
P
Molecular Weight
1723.680
Exact Mass
1722.700
No. of atoms
227
No. of bonds
233
Polar Surface Area
741.06
LOGP Value
-11.44 (
Computed with XLOGP3
)
-8.00 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 22
No. of Hydrogen Bond Acceptors: 30
No. of Rotatable Bonds: 65
No. of Nitrogen and Oxygen Atoms: 47
No. of Rings: 7
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CO)CO)[C@H](O)C)CO)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](OP(O)(O)O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)CO)CO)CO
InChI String
InChI=1S/C72H107N16O31P/c1-35(96)55(66(108)80-48(32-93)70(112)86-23-5-10-52(86)63(105)82-50(34-95)72(114)115)83-64(106)53-11-6-24-87(53)68(110)46(30-91)78-59(101)43(27-38-15-19-40(98)20-16-38)75-61(103)45(29-90)77-62(104)51-9-4-22-85(51)71(113)49(33-94)81-67(109)56(36(2)119-120(116,117)118)84-65(107)54-12-7-25-88(54)69(111)47(31-92)79-58(100)42(26-37-13-17-39(97)18-14-37)74-60(102)44(28-89)76-57(99)41-8-3-21-73-41/h13-20,35-36,41-56,73,89-98,116-118,120H,3-12,21-34H2,1-2H3,(H,74,102)(H,75,103)(H,76,99)(H,77,104)(H,78,101)(H,79,100)(H,80,108)(H,81,109)(H,82,105)(H,83,106)(H,84,107)(H,114,115)/p+1/t35-,36-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P04050
Entrez Gene ID
NCBI Entrez Gene ID:
851415
ASD
Information of known allosteric effects of PDB entries
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