Browse entries in the PDBbind-CN Database
HEADER 1TTV_COMPLEX COMPND 1TTV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 107 ASN HIS ILE SER THR SER ASP GLN GLU LYS LEU VAL GLN SEQRES 2 A 107 PRO THR PRO LEU LEU LEU SER LEU LEU LYS SER ALA GLY SEQRES 3 A 107 ALA GLN LYS GLU THR PHE THR MET LYS GLU VAL LEU TYR SEQRES 4 A 107 HIS LEU GLY GLN TYR ILE MET ALA LYS GLN LEU TYR ASP SEQRES 5 A 107 GLU LYS GLN GLN HIS ILE VAL HIS CYS SER ASN ASP PRO SEQRES 6 A 107 LEU GLY GLU LEU PHE GLY VAL GLN GLU PHE SER VAL LYS SEQRES 7 A 107 GLU HIS ARG ARG ILE TYR ALA MET ILE SER ARG ASN LEU SEQRES 8 A 107 VAL SER ALA ASN VAL LYS GLU SER SER GLU ASP ILE PHE SEQRES 9 A 107 GLY ASN VAL HET IMY A 108 55 ATOM 1 N ASN A 13 16.893 7.500 -11.393 1.00 1.00 N ATOM 2 CA ASN A 13 16.924 8.409 -10.217 1.00 1.00 C ATOM 3 C ASN A 13 17.263 9.838 -10.631 1.00 1.00 C ATOM 4 O ASN A 13 16.824 10.798 -9.999 1.00 1.00 O ATOM 5 CB ASN A 13 17.961 7.885 -9.220 1.00 1.00 C ATOM 6 CG ASN A 13 19.370 7.910 -9.781 1.00 1.00 C ATOM 7 OD1 ASN A 13 19.566 7.985 -10.994 1.00 1.00 O ATOM 8 ND2 ASN A 13 20.360 7.845 -8.898 1.00 1.00 N ATOM 9 HA ASN A 13 15.937 8.428 -9.755 1.00 0.00 H ATOM 10 HB2 ASN A 13 17.930 8.505 -8.324 1.00 0.00 H ATOM 11 HB3 ASN A 13 17.707 6.858 -8.958 1.00 0.00 H ATOM 12 HD22 ASN A 13 20.147 7.783 -7.882 1.00 0.00 H ATOM 13 HD21 ASN A 13 21.348 7.856 -9.223 1.00 0.00 H ATOM 14 HN3 ASN A 13 17.825 7.500 -11.854 1.00 0.00 H ATOM 15 HN2 ASN A 13 16.172 7.830 -12.066 1.00 0.00 H ATOM 16 HN1 ASN A 13 16.660 6.536 -11.079 1.00 0.00 H ATOM 17 N HIS A 14 18.047 9.970 -11.696 1.00 1.00 N ATOM 18 CA HIS A 14 18.445 11.282 -12.193 1.00 1.00 C ATOM 19 C HIS A 14 17.640 11.660 -13.433 1.00 1.00 C ATOM 20 O HIS A 14 17.998 11.293 -14.552 1.00 1.00 O ATOM 21 CB HIS A 14 19.939 11.293 -12.521 1.00 1.00 C ATOM 22 CG HIS A 14 20.570 12.645 -12.392 1.00 1.00 C ATOM 23 ND1 HIS A 14 20.083 13.767 -13.030 1.00 1.00 N ATOM 24 CD2 HIS A 14 21.656 13.054 -11.693 1.00 1.00 C ATOM 25 CE1 HIS A 14 20.842 14.806 -12.730 1.00 1.00 C ATOM 26 NE2 HIS A 14 21.802 14.400 -11.921 1.00 1.00 N ATOM 27 HA HIS A 14 18.244 12.016 -11.412 1.00 0.00 H ATOM 28 HB2 HIS A 14 20.447 10.609 -11.841 1.00 0.00 H ATOM 29 HB3 HIS A 14 20.070 10.948 -13.547 1.00 0.00 H ATOM 30 HD2 HIS A 14 22.294 12.431 -11.067 1.00 0.00 H ATOM 31 HE1 HIS A 14 20.699 15.825 -13.090 1.00 0.00 H ATOM 32 H HIS A 14 18.385 9.117 -12.187 1.00 0.00 H ATOM 33 N ILE A 15 16.551 12.396 -13.229 1.00 1.00 N ATOM 34 CA ILE A 15 15.699 12.822 -14.332 1.00 1.00 C ATOM 35 C ILE A 15 15.795 14.327 -14.552 1.00 1.00 C ATOM 36 O ILE A 15 16.293 14.784 -15.581 1.00 1.00 O ATOM 37 CB ILE A 15 14.226 12.444 -14.084 1.00 1.00 C ATOM 38 CG1 ILE A 15 14.116 10.978 -13.661 1.00 1.00 C ATOM 39 CG2 ILE A 15 13.394 12.706 -15.330 1.00 1.00 C ATOM 40 CD1 ILE A 15 14.171 10.775 -12.163 1.00 1.00 C ATOM 41 HA ILE A 15 16.054 12.304 -15.223 1.00 0.00 H ATOM 42 HB ILE A 15 13.839 13.065 -13.276 1.00 0.00 H ATOM 43 HG12 ILE A 15 13.169 10.583 -14.028 1.00 0.00 H ATOM 44 HG13 ILE A 15 14.939 10.425 -14.115 1.00 0.00 H ATOM 45 HD11 ILE A 15 15.118 11.155 -11.781 1.00 0.00 H ATOM 46 HD12 ILE A 15 13.347 11.313 -11.694 1.00 0.00 H ATOM 47 HD13 ILE A 15 14.087 9.712 -11.938 1.00 0.00 H ATOM 48 HG21 ILE A 15 13.451 13.764 -15.588 1.00 0.00 H ATOM 49 HG22 ILE A 15 13.780 12.108 -16.156 1.00 0.00 H ATOM 50 HG23 ILE A 15 12.357 12.433 -15.137 1.00 0.00 H ATOM 51 H ILE A 15 16.301 12.674 -12.259 1.00 0.00 H ATOM 52 N SER A 16 15.315 15.094 -13.578 1.00 1.00 N ATOM 53 CA SER A 16 15.347 16.549 -13.665 1.00 1.00 C ATOM 54 C SER A 16 14.895 17.183 -12.353 1.00 1.00 C ATOM 55 O SER A 16 15.710 17.697 -11.587 1.00 1.00 O ATOM 56 CB SER A 16 14.458 17.032 -14.812 1.00 1.00 C ATOM 57 OG SER A 16 14.296 18.439 -14.774 1.00 1.00 O ATOM 58 HA SER A 16 16.375 16.854 -13.859 1.00 0.00 H ATOM 59 HB2 SER A 16 13.480 16.558 -14.728 1.00 0.00 H ATOM 60 HB3 SER A 16 14.916 16.752 -15.760 1.00 0.00 H ATOM 61 HG SER A 16 13.876 18.699 -13.916 1.00 0.00 H ATOM 62 H SER A 16 14.907 14.645 -12.733 1.00 0.00 H ATOM 63 N THR A 17 13.591 17.141 -12.100 1.00 1.00 N ATOM 64 CA THR A 17 13.030 17.711 -10.880 1.00 1.00 C ATOM 65 C THR A 17 11.603 17.220 -10.656 1.00 1.00 C ATOM 66 O THR A 17 11.300 16.609 -9.631 1.00 1.00 O ATOM 67 CB THR A 17 13.052 19.238 -10.950 1.00 1.00 C ATOM 68 OG1 THR A 17 12.951 19.681 -12.291 1.00 1.00 O ATOM 69 CG2 THR A 17 14.305 19.846 -10.359 1.00 1.00 C ATOM 70 HA THR A 17 13.643 17.384 -10.040 1.00 0.00 H ATOM 71 HB THR A 17 12.195 19.566 -10.361 1.00 0.00 H ATOM 72 HG1 THR A 17 13.714 19.326 -12.813 1.00 0.00 H ATOM 73 HG23 THR A 17 14.411 19.522 -9.324 1.00 0.00 H ATOM 74 HG21 THR A 17 15.172 19.519 -10.933 1.00 0.00 H ATOM 75 HG22 THR A 17 14.232 20.933 -10.396 1.00 0.00 H ATOM 76 H THR A 17 12.955 16.691 -12.789 1.00 0.00 H ATOM 77 N SER A 18 10.731 17.492 -11.621 1.00 1.00 N ATOM 78 CA SER A 18 9.336 17.078 -11.528 1.00 1.00 C ATOM 79 C SER A 18 9.067 15.868 -12.417 1.00 1.00 C ATOM 80 O SER A 18 8.949 15.994 -13.636 1.00 1.00 O ATOM 81 CB SER A 18 8.412 18.231 -11.925 1.00 1.00 C ATOM 82 OG SER A 18 7.107 18.040 -11.407 1.00 1.00 O ATOM 83 HA SER A 18 9.135 16.799 -10.494 1.00 0.00 H ATOM 84 HB2 SER A 18 8.359 18.287 -13.012 1.00 0.00 H ATOM 85 HB3 SER A 18 8.818 19.164 -11.534 1.00 0.00 H ATOM 86 HG SER A 18 6.531 18.798 -11.678 1.00 0.00 H ATOM 87 H SER A 18 11.051 18.013 -12.463 1.00 0.00 H ATOM 88 N ASP A 19 8.972 14.696 -11.798 1.00 1.00 N ATOM 89 CA ASP A 19 8.717 13.461 -12.534 1.00 1.00 C ATOM 90 C ASP A 19 8.134 12.387 -11.622 1.00 1.00 C ATOM 91 O ASP A 19 8.299 11.193 -11.869 1.00 1.00 O ATOM 92 CB ASP A 19 10.004 12.942 -13.177 1.00 1.00 C ATOM 93 CG ASP A 19 11.237 13.228 -12.340 1.00 1.00 C ATOM 94 OD1 ASP A 19 11.472 12.493 -11.358 1.00 1.00 O ATOM 95 OD2 ASP A 19 11.967 14.188 -12.666 1.00 1.00 O ATOM 96 HA ASP A 19 7.991 13.688 -13.315 1.00 0.00 H ATOM 97 HB2 ASP A 19 9.916 11.864 -13.311 1.00 0.00 H ATOM 98 HB3 ASP A 19 10.125 13.419 -14.150 1.00 0.00 H ATOM 99 H ASP A 19 9.082 14.657 -10.765 1.00 0.00 H ATOM 100 N GLN A 20 7.453 12.819 -10.569 1.00 1.00 N ATOM 101 CA GLN A 20 6.845 11.899 -9.620 1.00 1.00 C ATOM 102 C GLN A 20 5.326 11.879 -9.786 1.00 1.00 C ATOM 103 O GLN A 20 4.695 12.924 -9.942 1.00 1.00 O ATOM 104 CB GLN A 20 7.224 12.299 -8.189 1.00 1.00 C ATOM 105 CG GLN A 20 6.301 11.734 -7.122 1.00 1.00 C ATOM 106 CD GLN A 20 6.753 12.079 -5.717 1.00 1.00 C ATOM 107 OE1 GLN A 20 6.102 12.855 -5.016 1.00 1.00 O ATOM 108 NE2 GLN A 20 7.873 11.504 -5.297 1.00 1.00 N ATOM 109 HA GLN A 20 7.220 10.895 -9.817 1.00 0.00 H ATOM 110 HB2 GLN A 20 8.235 11.944 -7.990 1.00 0.00 H ATOM 111 HB3 GLN A 20 7.202 13.387 -8.120 1.00 0.00 H ATOM 112 HG2 GLN A 20 5.300 12.138 -7.276 1.00 0.00 H ATOM 113 HG3 GLN A 20 6.273 10.649 -7.223 1.00 0.00 H ATOM 114 HE22 GLN A 20 8.391 10.855 -5.923 1.00 0.00 H ATOM 115 HE21 GLN A 20 8.233 11.703 -4.342 1.00 0.00 H ATOM 116 H GLN A 20 7.351 13.843 -10.418 1.00 0.00 H ATOM 117 N GLU A 21 4.748 10.683 -9.752 1.00 1.00 N ATOM 118 CA GLU A 21 3.306 10.526 -9.898 1.00 1.00 C ATOM 119 C GLU A 21 2.587 10.849 -8.593 1.00 1.00 C ATOM 120 O GLU A 21 3.134 10.652 -7.507 1.00 1.00 O ATOM 121 CB GLU A 21 2.969 9.101 -10.341 1.00 1.00 C ATOM 122 CG GLU A 21 3.178 8.861 -11.827 1.00 1.00 C ATOM 123 CD GLU A 21 2.177 7.881 -12.407 1.00 1.00 C ATOM 124 OE1 GLU A 21 1.585 7.106 -11.627 1.00 1.00 O ATOM 125 OE2 GLU A 21 1.984 7.889 -13.641 1.00 1.00 O ATOM 126 HA GLU A 21 2.966 11.226 -10.661 1.00 0.00 H ATOM 127 HB2 GLU A 21 3.603 8.409 -9.787 1.00 0.00 H ATOM 128 HB3 GLU A 21 1.924 8.904 -10.103 1.00 0.00 H ATOM 129 HG2 GLU A 21 3.080 9.812 -12.351 1.00 0.00 H ATOM 130 HG3 GLU A 21 4.182 8.465 -11.979 1.00 0.00 H ATOM 131 H GLU A 21 5.339 9.838 -9.618 1.00 0.00 H ATOM 132 N LYS A 22 1.358 11.345 -8.705 1.00 1.00 N ATOM 133 CA LYS A 22 0.563 11.694 -7.531 1.00 1.00 C ATOM 134 C LYS A 22 0.469 10.515 -6.567 1.00 1.00 C ATOM 135 O LYS A 22 0.026 9.429 -6.942 1.00 1.00 O ATOM 136 CB LYS A 22 -0.842 12.143 -7.942 1.00 1.00 C ATOM 137 CG LYS A 22 -1.433 11.339 -9.089 1.00 1.00 C ATOM 138 CD LYS A 22 -1.269 12.065 -10.413 1.00 1.00 C ATOM 139 CE LYS A 22 -1.090 11.091 -11.566 1.00 1.00 C ATOM 140 NZ LYS A 22 -2.395 10.671 -12.147 1.00 1.00 N ATOM 141 HA LYS A 22 1.063 12.520 -7.025 1.00 0.00 H ATOM 142 HB2 LYS A 22 -1.500 12.046 -7.079 1.00 0.00 H ATOM 143 HB3 LYS A 22 -0.794 13.189 -8.244 1.00 0.00 H ATOM 144 HG2 LYS A 22 -0.926 10.376 -9.146 1.00 0.00 H ATOM 145 HG3 LYS A 22 -2.495 11.178 -8.901 1.00 0.00 H ATOM 146 HD2 LYS A 22 -2.156 12.672 -10.596 1.00 0.00 H ATOM 147 HD3 LYS A 22 -0.393 12.711 -10.356 1.00 0.00 H ATOM 148 HE2 LYS A 22 -0.565 10.207 -11.203 1.00 0.00 H ATOM 149 HE3 LYS A 22 -0.496 11.571 -12.344 1.00 0.00 H ATOM 150 HZ1 LYS A 22 -2.966 10.206 -11.413 1.00 0.00 H ATOM 151 HZ2 LYS A 22 -2.900 11.508 -12.503 1.00 0.00 H ATOM 152 HZ3 LYS A 22 -2.227 10.007 -12.930 1.00 0.00 H ATOM 153 H LYS A 22 0.953 11.488 -9.652 1.00 0.00 H ATOM 154 N LEU A 23 0.891 10.735 -5.327 1.00 1.00 N ATOM 155 CA LEU A 23 0.856 9.687 -4.313 1.00 1.00 C ATOM 156 C LEU A 23 -0.223 9.970 -3.267 1.00 1.00 C ATOM 157 O LEU A 23 -0.452 11.120 -2.891 1.00 1.00 O ATOM 158 CB LEU A 23 2.238 9.529 -3.658 1.00 1.00 C ATOM 159 CG LEU A 23 2.584 10.524 -2.550 1.00 1.00 C ATOM 160 CD1 LEU A 23 3.988 10.258 -2.028 1.00 1.00 C ATOM 161 CD2 LEU A 23 2.473 11.950 -3.055 1.00 1.00 C ATOM 162 HA LEU A 23 0.601 8.746 -4.800 1.00 0.00 H ATOM 163 HB2 LEU A 23 2.291 8.527 -3.232 1.00 0.00 H ATOM 164 HB3 LEU A 23 2.990 9.630 -4.441 1.00 0.00 H ATOM 165 HG LEU A 23 1.873 10.393 -1.735 1.00 0.00 H ATOM 166 HD21 LEU A 23 3.163 12.094 -3.887 1.00 0.00 H ATOM 167 HD22 LEU A 23 1.453 12.137 -3.391 1.00 0.00 H ATOM 168 HD23 LEU A 23 2.724 12.640 -2.249 1.00 0.00 H ATOM 169 HD11 LEU A 23 4.040 9.245 -1.629 1.00 0.00 H ATOM 170 HD12 LEU A 23 4.704 10.366 -2.843 1.00 0.00 H ATOM 171 HD13 LEU A 23 4.223 10.973 -1.239 1.00 0.00 H ATOM 172 H LEU A 23 1.255 11.676 -5.073 1.00 0.00 H ATOM 173 N VAL A 24 -0.893 8.912 -2.814 1.00 1.00 N ATOM 174 CA VAL A 24 -1.958 9.041 -1.826 1.00 1.00 C ATOM 175 C VAL A 24 -1.458 8.701 -0.428 1.00 1.00 C ATOM 176 O VAL A 24 -0.362 8.170 -0.264 1.00 1.00 O ATOM 177 CB VAL A 24 -3.148 8.127 -2.168 1.00 1.00 C ATOM 178 CG1 VAL A 24 -3.859 8.619 -3.419 1.00 1.00 C ATOM 179 CG2 VAL A 24 -2.680 6.690 -2.342 1.00 1.00 C ATOM 180 HA VAL A 24 -2.285 10.080 -1.847 1.00 0.00 H ATOM 181 HB VAL A 24 -3.858 8.158 -1.341 1.00 0.00 H ATOM 182 HG11 VAL A 24 -4.227 9.631 -3.252 1.00 0.00 H ATOM 183 HG12 VAL A 24 -3.161 8.619 -4.256 1.00 0.00 H ATOM 184 HG13 VAL A 24 -4.697 7.959 -3.643 1.00 0.00 H ATOM 185 HG21 VAL A 24 -1.951 6.642 -3.151 1.00 0.00 H ATOM 186 HG22 VAL A 24 -2.221 6.344 -1.416 1.00 0.00 H ATOM 187 HG23 VAL A 24 -3.534 6.058 -2.583 1.00 0.00 H ATOM 188 H VAL A 24 -0.650 7.967 -3.175 1.00 0.00 H ATOM 189 N GLN A 25 -2.263 9.019 0.580 1.00 1.00 N ATOM 190 CA GLN A 25 -1.889 8.757 1.964 1.00 1.00 C ATOM 191 C GLN A 25 -2.691 7.598 2.557 1.00 1.00 C ATOM 192 O GLN A 25 -3.881 7.738 2.835 1.00 1.00 O ATOM 193 CB GLN A 25 -2.100 10.017 2.806 1.00 1.00 C ATOM 194 CG GLN A 25 -1.717 9.846 4.266 1.00 1.00 C ATOM 195 CD GLN A 25 -0.380 10.481 4.596 1.00 1.00 C ATOM 196 OE1 GLN A 25 0.585 10.351 3.844 1.00 1.00 O ATOM 197 NE2 GLN A 25 -0.318 11.174 5.728 1.00 1.00 N ATOM 198 HA GLN A 25 -0.836 8.476 1.977 1.00 0.00 H ATOM 199 HB2 GLN A 25 -1.496 10.819 2.383 1.00 0.00 H ATOM 200 HB3 GLN A 25 -3.153 10.292 2.756 1.00 0.00 H ATOM 201 HG2 GLN A 25 -2.486 10.308 4.885 1.00 0.00 H ATOM 202 HG3 GLN A 25 -1.663 8.781 4.491 1.00 0.00 H ATOM 203 HE22 GLN A 25 -1.160 11.257 6.333 1.00 0.00 H ATOM 204 HE21 GLN A 25 0.572 11.633 6.009 1.00 0.00 H ATOM 205 H GLN A 25 -3.180 9.465 0.377 1.00 0.00 H ATOM 206 N PRO A 26 -2.048 6.435 2.768 1.00 1.00 N ATOM 207 CA PRO A 26 -2.709 5.260 3.347 1.00 1.00 C ATOM 208 C PRO A 26 -3.148 5.511 4.784 1.00 1.00 C ATOM 209 O PRO A 26 -2.529 6.297 5.500 1.00 1.00 O ATOM 210 CB PRO A 26 -1.624 4.174 3.318 1.00 1.00 C ATOM 211 CG PRO A 26 -0.597 4.673 2.360 1.00 1.00 C ATOM 212 CD PRO A 26 -0.632 6.168 2.471 1.00 1.00 C ATOM 213 HA PRO A 26 -3.611 4.992 2.797 1.00 0.00 H ATOM 214 HD3 PRO A 26 0.012 6.518 3.277 1.00 0.00 H ATOM 215 HD2 PRO A 26 -0.330 6.639 1.536 1.00 0.00 H ATOM 216 HG3 PRO A 26 -0.841 4.361 1.344 1.00 0.00 H ATOM 217 HG2 PRO A 26 0.389 4.295 2.628 1.00 0.00 H ATOM 218 HB2 PRO A 26 -1.190 4.040 4.309 1.00 0.00 H ATOM 219 HB3 PRO A 26 -2.040 3.227 2.974 1.00 0.00 H ATOM 220 N THR A 27 -4.208 4.833 5.209 1.00 1.00 N ATOM 221 CA THR A 27 -4.703 4.985 6.571 1.00 1.00 C ATOM 222 C THR A 27 -3.608 4.620 7.570 1.00 1.00 C ATOM 223 O THR A 27 -2.755 3.780 7.283 1.00 1.00 O ATOM 224 CB THR A 27 -5.932 4.102 6.794 1.00 1.00 C ATOM 225 OG1 THR A 27 -5.629 2.744 6.532 1.00 1.00 O ATOM 226 CG2 THR A 27 -7.110 4.486 5.925 1.00 1.00 C ATOM 227 HA THR A 27 -4.990 6.026 6.723 1.00 0.00 H ATOM 228 HB THR A 27 -6.208 4.250 7.838 1.00 0.00 H ATOM 229 HG1 THR A 27 -5.333 2.649 5.592 1.00 0.00 H ATOM 230 HG23 THR A 27 -7.368 5.530 6.105 1.00 0.00 H ATOM 231 HG21 THR A 27 -6.845 4.351 4.876 1.00 0.00 H ATOM 232 HG22 THR A 27 -7.962 3.853 6.170 1.00 0.00 H ATOM 233 H THR A 27 -4.693 4.182 4.559 1.00 0.00 H ATOM 234 N PRO A 28 -3.609 5.248 8.759 1.00 1.00 N ATOM 235 CA PRO A 28 -2.605 4.978 9.790 1.00 1.00 C ATOM 236 C PRO A 28 -2.343 3.486 9.966 1.00 1.00 C ATOM 237 O PRO A 28 -1.239 3.076 10.323 1.00 1.00 O ATOM 238 CB PRO A 28 -3.234 5.572 11.048 1.00 1.00 C ATOM 239 CG PRO A 28 -4.085 6.689 10.548 1.00 1.00 C ATOM 240 CD PRO A 28 -4.586 6.266 9.190 1.00 1.00 C ATOM 241 HA PRO A 28 -1.632 5.403 9.543 1.00 0.00 H ATOM 242 HD3 PRO A 28 -5.587 5.840 9.260 1.00 0.00 H ATOM 243 HD2 PRO A 28 -4.599 7.110 8.500 1.00 0.00 H ATOM 244 HG3 PRO A 28 -3.498 7.603 10.466 1.00 0.00 H ATOM 245 HG2 PRO A 28 -4.923 6.857 11.224 1.00 0.00 H ATOM 246 HB2 PRO A 28 -3.839 4.827 11.565 1.00 0.00 H ATOM 247 HB3 PRO A 28 -2.465 5.946 11.724 1.00 0.00 H ATOM 248 N LEU A 29 -3.365 2.678 9.702 1.00 1.00 N ATOM 249 CA LEU A 29 -3.242 1.231 9.819 1.00 1.00 C ATOM 250 C LEU A 29 -2.435 0.674 8.650 1.00 1.00 C ATOM 251 O LEU A 29 -1.370 0.083 8.841 1.00 1.00 O ATOM 252 CB LEU A 29 -4.628 0.582 9.866 1.00 1.00 C ATOM 253 CG LEU A 29 -4.635 -0.949 9.842 1.00 1.00 C ATOM 254 CD1 LEU A 29 -3.624 -1.509 10.832 1.00 1.00 C ATOM 255 CD2 LEU A 29 -6.029 -1.475 10.148 1.00 1.00 C ATOM 256 HA LEU A 29 -2.718 0.999 10.746 1.00 0.00 H ATOM 257 HB2 LEU A 29 -5.121 0.907 10.782 1.00 0.00 H ATOM 258 HB3 LEU A 29 -5.195 0.935 9.005 1.00 0.00 H ATOM 259 HG LEU A 29 -4.350 -1.278 8.843 1.00 0.00 H ATOM 260 HD21 LEU A 29 -6.336 -1.132 11.136 1.00 0.00 H ATOM 261 HD22 LEU A 29 -6.729 -1.103 9.399 1.00 0.00 H ATOM 262 HD23 LEU A 29 -6.017 -2.565 10.127 1.00 0.00 H ATOM 263 HD11 LEU A 29 -2.626 -1.157 10.569 1.00 0.00 H ATOM 264 HD12 LEU A 29 -3.876 -1.171 11.837 1.00 0.00 H ATOM 265 HD13 LEU A 29 -3.648 -2.598 10.797 1.00 0.00 H ATOM 266 H LEU A 29 -4.273 3.088 9.405 1.00 0.00 H ATOM 267 N LEU A 30 -2.937 0.884 7.435 1.00 1.00 N ATOM 268 CA LEU A 30 -2.248 0.420 6.236 1.00 1.00 C ATOM 269 C LEU A 30 -0.833 0.985 6.202 1.00 1.00 C ATOM 270 O LEU A 30 0.118 0.300 5.824 1.00 1.00 O ATOM 271 CB LEU A 30 -3.015 0.844 4.981 1.00 1.00 C ATOM 272 CG LEU A 30 -2.465 0.291 3.665 1.00 1.00 C ATOM 273 CD1 LEU A 30 -2.318 -1.221 3.739 1.00 1.00 C ATOM 274 CD2 LEU A 30 -3.368 0.684 2.505 1.00 1.00 C ATOM 275 HA LEU A 30 -2.197 -0.669 6.259 1.00 0.00 H ATOM 276 HB2 LEU A 30 -4.046 0.506 5.085 1.00 0.00 H ATOM 277 HB3 LEU A 30 -2.995 1.932 4.925 1.00 0.00 H ATOM 278 HG LEU A 30 -1.478 0.722 3.496 1.00 0.00 H ATOM 279 HD21 LEU A 30 -4.367 0.280 2.671 1.00 0.00 H ATOM 280 HD22 LEU A 30 -3.421 1.771 2.439 1.00 0.00 H ATOM 281 HD23 LEU A 30 -2.961 0.282 1.577 1.00 0.00 H ATOM 282 HD11 LEU A 30 -1.631 -1.479 4.545 1.00 0.00 H ATOM 283 HD12 LEU A 30 -3.292 -1.670 3.932 1.00 0.00 H ATOM 284 HD13 LEU A 30 -1.925 -1.593 2.793 1.00 0.00 H ATOM 285 H LEU A 30 -3.840 1.390 7.339 1.00 0.00 H ATOM 286 N LEU A 31 -0.708 2.243 6.617 1.00 1.00 N ATOM 287 CA LEU A 31 0.581 2.926 6.659 1.00 1.00 C ATOM 288 C LEU A 31 1.649 2.043 7.303 1.00 1.00 C ATOM 289 O LEU A 31 2.635 1.677 6.664 1.00 1.00 O ATOM 290 CB LEU A 31 0.452 4.237 7.443 1.00 1.00 C ATOM 291 CG LEU A 31 0.679 5.511 6.628 1.00 1.00 C ATOM 292 CD1 LEU A 31 0.688 6.730 7.538 1.00 1.00 C ATOM 293 CD2 LEU A 31 1.980 5.417 5.848 1.00 1.00 C ATOM 294 HA LEU A 31 0.885 3.142 5.635 1.00 0.00 H ATOM 295 HB2 LEU A 31 -0.553 4.281 7.864 1.00 0.00 H ATOM 296 HB3 LEU A 31 1.183 4.219 8.252 1.00 0.00 H ATOM 297 HG LEU A 31 -0.141 5.619 5.918 1.00 0.00 H ATOM 298 HD21 LEU A 31 2.810 5.287 6.543 1.00 0.00 H ATOM 299 HD22 LEU A 31 1.935 4.565 5.170 1.00 0.00 H ATOM 300 HD23 LEU A 31 2.125 6.332 5.274 1.00 0.00 H ATOM 301 HD11 LEU A 31 -0.270 6.804 8.053 1.00 0.00 H ATOM 302 HD12 LEU A 31 1.489 6.629 8.270 1.00 0.00 H ATOM 303 HD13 LEU A 31 0.851 7.627 6.940 1.00 0.00 H ATOM 304 H LEU A 31 -1.559 2.758 6.922 1.00 0.00 H ATOM 305 N SER A 32 1.441 1.704 8.574 1.00 1.00 N ATOM 306 CA SER A 32 2.382 0.864 9.312 1.00 1.00 C ATOM 307 C SER A 32 2.774 -0.364 8.497 1.00 1.00 C ATOM 308 O SER A 32 3.949 -0.726 8.434 1.00 1.00 O ATOM 309 CB SER A 32 1.775 0.433 10.648 1.00 1.00 C ATOM 310 OG SER A 32 2.785 0.133 11.595 1.00 1.00 O ATOM 311 HA SER A 32 3.280 1.451 9.502 1.00 0.00 H ATOM 312 HB2 SER A 32 1.160 -0.453 10.490 1.00 0.00 H ATOM 313 HB3 SER A 32 1.154 1.241 11.034 1.00 0.00 H ATOM 314 HG SER A 32 2.365 -0.142 12.448 1.00 0.00 H ATOM 315 H SER A 32 0.585 2.047 9.055 1.00 0.00 H ATOM 316 N LEU A 33 1.790 -0.999 7.863 1.00 1.00 N ATOM 317 CA LEU A 33 2.062 -2.177 7.045 1.00 1.00 C ATOM 318 C LEU A 33 3.134 -1.851 6.012 1.00 1.00 C ATOM 319 O LEU A 33 4.037 -2.650 5.763 1.00 1.00 O ATOM 320 CB LEU A 33 0.789 -2.671 6.353 1.00 1.00 C ATOM 321 CG LEU A 33 -0.492 -2.566 7.186 1.00 1.00 C ATOM 322 CD1 LEU A 33 -1.639 -3.283 6.491 1.00 1.00 C ATOM 323 CD2 LEU A 33 -0.273 -3.137 8.581 1.00 1.00 C ATOM 324 HA LEU A 33 2.421 -2.974 7.695 1.00 0.00 H ATOM 325 HB2 LEU A 33 0.650 -2.084 5.445 1.00 0.00 H ATOM 326 HB3 LEU A 33 0.934 -3.718 6.088 1.00 0.00 H ATOM 327 HG LEU A 33 -0.752 -1.512 7.284 1.00 0.00 H ATOM 328 HD21 LEU A 33 0.013 -4.186 8.502 1.00 0.00 H ATOM 329 HD22 LEU A 33 0.520 -2.580 9.080 1.00 0.00 H ATOM 330 HD23 LEU A 33 -1.195 -3.052 9.156 1.00 0.00 H ATOM 331 HD11 LEU A 33 -1.812 -2.829 5.515 1.00 0.00 H ATOM 332 HD12 LEU A 33 -1.384 -4.335 6.363 1.00 0.00 H ATOM 333 HD13 LEU A 33 -2.540 -3.197 7.098 1.00 0.00 H ATOM 334 H LEU A 33 0.814 -0.651 7.952 1.00 0.00 H ATOM 335 N LEU A 34 3.044 -0.654 5.441 1.00 1.00 N ATOM 336 CA LEU A 34 4.024 -0.199 4.465 1.00 1.00 C ATOM 337 C LEU A 34 5.323 0.129 5.183 1.00 1.00 C ATOM 338 O LEU A 34 6.412 -0.213 4.725 1.00 1.00 O ATOM 339 CB LEU A 34 3.508 1.037 3.718 1.00 1.00 C ATOM 340 CG LEU A 34 2.098 0.902 3.144 1.00 1.00 C ATOM 341 CD1 LEU A 34 1.665 2.198 2.479 1.00 1.00 C ATOM 342 CD2 LEU A 34 2.040 -0.252 2.154 1.00 1.00 C ATOM 343 HA LEU A 34 4.197 -0.989 3.734 1.00 0.00 H ATOM 344 HB2 LEU A 34 3.512 1.878 4.411 1.00 0.00 H ATOM 345 HB3 LEU A 34 4.191 1.244 2.894 1.00 0.00 H ATOM 346 HG LEU A 34 1.409 0.692 3.963 1.00 0.00 H ATOM 347 HD21 LEU A 34 2.740 -0.066 1.340 1.00 0.00 H ATOM 348 HD22 LEU A 34 2.309 -1.178 2.662 1.00 0.00 H ATOM 349 HD23 LEU A 34 1.030 -0.335 1.754 1.00 0.00 H ATOM 350 HD11 LEU A 34 1.672 3.002 3.215 1.00 0.00 H ATOM 351 HD12 LEU A 34 2.355 2.438 1.670 1.00 0.00 H ATOM 352 HD13 LEU A 34 0.659 2.080 2.077 1.00 0.00 H ATOM 353 H LEU A 34 2.255 -0.027 5.698 1.00 0.00 H ATOM 354 N LYS A 35 5.184 0.785 6.330 1.00 1.00 N ATOM 355 CA LYS A 35 6.326 1.164 7.151 1.00 1.00 C ATOM 356 C LYS A 35 7.222 -0.041 7.423 1.00 1.00 C ATOM 357 O LYS A 35 8.446 0.044 7.315 1.00 1.00 O ATOM 358 CB LYS A 35 5.835 1.763 8.471 1.00 1.00 C ATOM 359 CG LYS A 35 5.075 3.070 8.306 1.00 1.00 C ATOM 360 CD LYS A 35 5.875 4.088 7.510 1.00 1.00 C ATOM 361 CE LYS A 35 5.387 5.504 7.771 1.00 1.00 C ATOM 362 NZ LYS A 35 5.918 6.048 9.051 1.00 1.00 N ATOM 363 HA LYS A 35 6.911 1.909 6.611 1.00 0.00 H ATOM 364 HB2 LYS A 35 5.176 1.040 8.953 1.00 0.00 H ATOM 365 HB3 LYS A 35 6.700 1.946 9.109 1.00 0.00 H ATOM 366 HG2 LYS A 35 4.138 2.871 7.785 1.00 0.00 H ATOM 367 HG3 LYS A 35 4.861 3.482 9.292 1.00 0.00 H ATOM 368 HD2 LYS A 35 6.925 4.016 7.795 1.00 0.00 H ATOM 369 HD3 LYS A 35 5.773 3.868 6.447 1.00 0.00 H ATOM 370 HE2 LYS A 35 4.298 5.499 7.815 1.00 0.00 H ATOM 371 HE3 LYS A 35 5.713 6.146 6.953 1.00 0.00 H ATOM 372 HZ1 LYS A 35 5.605 5.445 9.839 1.00 0.00 H ATOM 373 HZ2 LYS A 35 6.957 6.063 9.015 1.00 0.00 H ATOM 374 HZ3 LYS A 35 5.561 7.015 9.190 1.00 0.00 H ATOM 375 H LYS A 35 4.228 1.036 6.652 1.00 0.00 H ATOM 376 N SER A 36 6.601 -1.162 7.772 1.00 1.00 N ATOM 377 CA SER A 36 7.335 -2.389 8.057 1.00 1.00 C ATOM 378 C SER A 36 7.657 -3.147 6.769 1.00 1.00 C ATOM 379 O SER A 36 8.556 -3.988 6.743 1.00 1.00 O ATOM 380 CB SER A 36 6.528 -3.283 9.002 1.00 1.00 C ATOM 381 OG SER A 36 7.111 -3.318 10.293 1.00 1.00 O ATOM 382 HA SER A 36 8.274 -2.116 8.539 1.00 0.00 H ATOM 383 HB2 SER A 36 6.498 -4.294 8.597 1.00 0.00 H ATOM 384 HB3 SER A 36 5.513 -2.894 9.080 1.00 0.00 H ATOM 385 HG SER A 36 6.570 -3.902 10.882 1.00 0.00 H ATOM 386 H SER A 36 5.563 -1.165 7.844 1.00 0.00 H ATOM 387 N ALA A 37 6.919 -2.846 5.703 1.00 1.00 N ATOM 388 CA ALA A 37 7.130 -3.502 4.417 1.00 1.00 C ATOM 389 C ALA A 37 8.278 -2.859 3.638 1.00 1.00 C ATOM 390 O ALA A 37 8.560 -3.247 2.505 1.00 1.00 O ATOM 391 CB ALA A 37 5.850 -3.469 3.594 1.00 1.00 C ATOM 392 HA ALA A 37 7.403 -4.539 4.613 1.00 0.00 H ATOM 393 HB1 ALA A 37 5.059 -3.988 4.135 1.00 0.00 H ATOM 394 HB2 ALA A 37 5.556 -2.433 3.423 1.00 0.00 H ATOM 395 HB3 ALA A 37 6.022 -3.962 2.637 1.00 0.00 H ATOM 396 H ALA A 37 6.174 -2.126 5.789 1.00 0.00 H ATOM 397 N GLY A 38 8.937 -1.874 4.246 1.00 1.00 N ATOM 398 CA GLY A 38 10.040 -1.202 3.583 1.00 1.00 C ATOM 399 C GLY A 38 9.728 0.248 3.258 1.00 1.00 C ATOM 400 O GLY A 38 10.607 0.998 2.832 1.00 1.00 O ATOM 401 HA3 GLY A 38 10.263 -1.728 2.655 1.00 0.00 H ATOM 402 HA2 GLY A 38 10.912 -1.234 4.236 1.00 0.00 H ATOM 403 H GLY A 38 8.659 -1.583 5.205 1.00 0.00 H ATOM 404 N ALA A 39 8.475 0.642 3.461 1.00 1.00 N ATOM 405 CA ALA A 39 8.048 2.007 3.190 1.00 1.00 C ATOM 406 C ALA A 39 8.536 2.955 4.292 1.00 1.00 C ATOM 407 O ALA A 39 8.649 2.552 5.449 1.00 1.00 O ATOM 408 CB ALA A 39 6.532 2.060 3.063 1.00 1.00 C ATOM 409 HA ALA A 39 8.489 2.333 2.248 1.00 0.00 H ATOM 410 HB1 ALA A 39 6.214 1.414 2.244 1.00 0.00 H ATOM 411 HB2 ALA A 39 6.079 1.719 3.994 1.00 0.00 H ATOM 412 HB3 ALA A 39 6.221 3.085 2.860 1.00 0.00 H ATOM 413 H ALA A 39 7.781 -0.043 3.823 1.00 0.00 H ATOM 414 N GLN A 40 8.836 4.211 3.942 1.00 1.00 N ATOM 415 CA GLN A 40 9.317 5.176 4.927 1.00 1.00 C ATOM 416 C GLN A 40 8.346 6.344 5.080 1.00 1.00 C ATOM 417 O GLN A 40 7.738 6.523 6.135 1.00 1.00 O ATOM 418 CB GLN A 40 10.701 5.695 4.528 1.00 1.00 C ATOM 419 CG GLN A 40 11.839 5.046 5.299 1.00 1.00 C ATOM 420 CD GLN A 40 12.500 3.921 4.526 1.00 1.00 C ATOM 421 OE1 GLN A 40 12.741 4.036 3.324 1.00 1.00 O ATOM 422 NE2 GLN A 40 12.795 2.824 5.214 1.00 1.00 N ATOM 423 HA GLN A 40 9.388 4.666 5.888 1.00 0.00 H ATOM 424 HB2 GLN A 40 10.849 5.501 3.466 1.00 0.00 H ATOM 425 HB3 GLN A 40 10.731 6.770 4.707 1.00 0.00 H ATOM 426 HG2 GLN A 40 12.589 5.805 5.520 1.00 0.00 H ATOM 427 HG3 GLN A 40 11.444 4.644 6.232 1.00 0.00 H ATOM 428 HE22 GLN A 40 12.573 2.771 6.229 1.00 0.00 H ATOM 429 HE21 GLN A 40 13.248 2.018 4.738 1.00 0.00 H ATOM 430 H GLN A 40 8.725 4.505 2.951 1.00 0.00 H ATOM 431 N LYS A 41 8.210 7.141 4.023 1.00 1.00 N ATOM 432 CA LYS A 41 7.318 8.298 4.041 1.00 1.00 C ATOM 433 C LYS A 41 5.915 7.910 4.503 1.00 1.00 C ATOM 434 O LYS A 41 5.650 6.748 4.807 1.00 1.00 O ATOM 435 CB LYS A 41 7.254 8.942 2.655 1.00 1.00 C ATOM 436 CG LYS A 41 6.987 7.950 1.534 1.00 1.00 C ATOM 437 CD LYS A 41 8.243 7.665 0.726 1.00 1.00 C ATOM 438 CE LYS A 41 7.911 7.044 -0.623 1.00 1.00 C ATOM 439 NZ LYS A 41 8.495 5.681 -0.764 1.00 1.00 N ATOM 440 HA LYS A 41 7.722 9.019 4.752 1.00 0.00 H ATOM 441 HB2 LYS A 41 6.456 9.684 2.656 1.00 0.00 H ATOM 442 HB3 LYS A 41 8.206 9.435 2.460 1.00 0.00 H ATOM 443 HG2 LYS A 41 6.625 7.017 1.966 1.00 0.00 H ATOM 444 HG3 LYS A 41 6.226 8.362 0.871 1.00 0.00 H ATOM 445 HD2 LYS A 41 8.779 8.600 0.563 1.00 0.00 H ATOM 446 HD3 LYS A 41 8.876 6.977 1.286 1.00 0.00 H ATOM 447 HE2 LYS A 41 8.308 7.682 -1.413 1.00 0.00 H ATOM 448 HE3 LYS A 41 6.828 6.976 -0.723 1.00 0.00 H ATOM 449 HZ1 LYS A 41 9.530 5.738 -0.676 1.00 0.00 H ATOM 450 HZ2 LYS A 41 8.116 5.064 -0.018 1.00 0.00 H ATOM 451 HZ3 LYS A 41 8.246 5.293 -1.696 1.00 0.00 H ATOM 452 H LYS A 41 8.753 6.935 3.161 1.00 0.00 H ATOM 453 N GLU A 42 5.021 8.893 4.559 1.00 1.00 N ATOM 454 CA GLU A 42 3.647 8.654 4.990 1.00 1.00 C ATOM 455 C GLU A 42 2.712 8.489 3.794 1.00 1.00 C ATOM 456 O GLU A 42 1.678 7.829 3.890 1.00 1.00 O ATOM 457 CB GLU A 42 3.162 9.806 5.873 1.00 1.00 C ATOM 458 CG GLU A 42 3.300 11.172 5.221 1.00 1.00 C ATOM 459 CD GLU A 42 4.599 11.862 5.585 1.00 1.00 C ATOM 460 OE1 GLU A 42 5.647 11.182 5.607 1.00 1.00 O ATOM 461 OE2 GLU A 42 4.570 13.082 5.849 1.00 1.00 O ATOM 462 HA GLU A 42 3.633 7.728 5.565 1.00 0.00 H ATOM 463 HB2 GLU A 42 2.111 9.641 6.109 1.00 0.00 H ATOM 464 HB3 GLU A 42 3.744 9.803 6.794 1.00 0.00 H ATOM 465 HG2 GLU A 42 3.261 11.048 4.139 1.00 0.00 H ATOM 466 HG3 GLU A 42 2.469 11.799 5.544 1.00 0.00 H ATOM 467 H GLU A 42 5.308 9.856 4.289 1.00 0.00 H ATOM 468 N THR A 43 3.079 9.095 2.670 1.00 1.00 N ATOM 469 CA THR A 43 2.270 9.015 1.458 1.00 1.00 C ATOM 470 C THR A 43 2.914 8.084 0.434 1.00 1.00 C ATOM 471 O THR A 43 4.133 7.918 0.415 1.00 1.00 O ATOM 472 CB THR A 43 2.092 10.408 0.850 1.00 1.00 C ATOM 473 OG1 THR A 43 2.477 11.413 1.771 1.00 1.00 O ATOM 474 CG2 THR A 43 0.673 10.704 0.418 1.00 1.00 C ATOM 475 HA THR A 43 1.294 8.612 1.728 1.00 0.00 H ATOM 476 HB THR A 43 2.730 10.414 -0.034 1.00 0.00 H ATOM 477 HG1 THR A 43 1.917 11.346 2.584 1.00 0.00 H ATOM 478 HG23 THR A 43 0.346 9.946 -0.294 1.00 0.00 H ATOM 479 HG21 THR A 43 0.019 10.692 1.290 1.00 0.00 H ATOM 480 HG22 THR A 43 0.635 11.686 -0.053 1.00 0.00 H ATOM 481 H THR A 43 3.965 9.640 2.653 1.00 0.00 H ATOM 482 N PHE A 44 2.091 7.483 -0.419 1.00 1.00 N ATOM 483 CA PHE A 44 2.589 6.576 -1.447 1.00 1.00 C ATOM 484 C PHE A 44 1.603 6.444 -2.599 1.00 1.00 C ATOM 485 O PHE A 44 0.389 6.448 -2.398 1.00 1.00 O ATOM 486 CB PHE A 44 2.837 5.177 -0.876 1.00 1.00 C ATOM 487 CG PHE A 44 3.678 5.136 0.365 1.00 1.00 C ATOM 488 CD1 PHE A 44 3.113 5.360 1.609 1.00 1.00 C ATOM 489 CD2 PHE A 44 5.029 4.841 0.288 1.00 1.00 C ATOM 490 CE1 PHE A 44 3.881 5.293 2.755 1.00 1.00 C ATOM 491 CE2 PHE A 44 5.802 4.778 1.431 1.00 1.00 C ATOM 492 CZ PHE A 44 5.228 5.003 2.666 1.00 1.00 C ATOM 493 HA PHE A 44 3.524 7.004 -1.810 1.00 0.00 H ATOM 494 HB2 PHE A 44 1.870 4.730 -0.644 1.00 0.00 H ATOM 495 HB3 PHE A 44 3.336 4.583 -1.642 1.00 0.00 H ATOM 496 HD2 PHE A 44 5.487 4.657 -0.684 1.00 0.00 H ATOM 497 HE2 PHE A 44 6.865 4.551 1.358 1.00 0.00 H ATOM 498 HZ PHE A 44 5.837 4.952 3.569 1.00 0.00 H ATOM 499 HE1 PHE A 44 3.424 5.469 3.729 1.00 0.00 H ATOM 500 HD1 PHE A 44 2.051 5.592 1.685 1.00 0.00 H ATOM 501 H PHE A 44 1.069 7.663 -0.352 1.00 0.00 H ATOM 502 N THR A 45 2.139 6.291 -3.804 1.00 1.00 N ATOM 503 CA THR A 45 1.312 6.115 -4.987 1.00 1.00 C ATOM 504 C THR A 45 0.802 4.681 -5.025 1.00 1.00 C ATOM 505 O THR A 45 1.430 3.781 -4.468 1.00 1.00 O ATOM 506 CB THR A 45 2.107 6.426 -6.257 1.00 1.00 C ATOM 507 OG1 THR A 45 3.137 5.473 -6.449 1.00 1.00 O ATOM 508 CG2 THR A 45 2.748 7.798 -6.244 1.00 1.00 C ATOM 509 HA THR A 45 0.470 6.805 -4.941 1.00 0.00 H ATOM 510 HB THR A 45 1.379 6.392 -7.068 1.00 0.00 H ATOM 511 HG1 THR A 45 2.739 4.571 -6.533 1.00 0.00 H ATOM 512 HG23 THR A 45 1.978 8.556 -6.097 1.00 0.00 H ATOM 513 HG21 THR A 45 3.472 7.852 -5.431 1.00 0.00 H ATOM 514 HG22 THR A 45 3.253 7.971 -7.194 1.00 0.00 H ATOM 515 H THR A 45 3.174 6.297 -3.904 1.00 0.00 H ATOM 516 N MET A 46 -0.345 4.473 -5.659 1.00 1.00 N ATOM 517 CA MET A 46 -0.946 3.144 -5.741 1.00 1.00 C ATOM 518 C MET A 46 0.096 2.060 -6.011 1.00 1.00 C ATOM 519 O MET A 46 0.097 1.019 -5.357 1.00 1.00 O ATOM 520 CB MET A 46 -2.028 3.118 -6.817 1.00 1.00 C ATOM 521 CG MET A 46 -3.432 3.054 -6.244 1.00 1.00 C ATOM 522 SD MET A 46 -4.539 2.035 -7.234 1.00 1.00 S ATOM 523 CE MET A 46 -4.275 0.430 -6.484 1.00 1.00 C ATOM 524 HA MET A 46 -1.397 2.929 -4.772 1.00 0.00 H ATOM 525 HB2 MET A 46 -1.940 4.021 -7.421 1.00 0.00 H ATOM 526 HB3 MET A 46 -1.870 2.244 -7.448 1.00 0.00 H ATOM 527 HG2 MET A 46 -3.836 4.065 -6.197 1.00 0.00 H ATOM 528 HG3 MET A 46 -3.380 2.638 -5.238 1.00 0.00 H ATOM 529 HE1 MET A 46 -3.225 0.154 -6.579 1.00 0.00 H ATOM 530 HE2 MET A 46 -4.547 0.474 -5.429 1.00 0.00 H ATOM 531 HE3 MET A 46 -4.894 -0.312 -6.989 1.00 0.00 H ATOM 532 H MET A 46 -0.828 5.276 -6.109 1.00 0.00 H ATOM 533 N LYS A 47 0.983 2.307 -6.969 1.00 1.00 N ATOM 534 CA LYS A 47 2.024 1.341 -7.305 1.00 1.00 C ATOM 535 C LYS A 47 2.856 0.988 -6.075 1.00 1.00 C ATOM 536 O LYS A 47 2.998 -0.184 -5.730 1.00 1.00 O ATOM 537 CB LYS A 47 2.926 1.892 -8.413 1.00 1.00 C ATOM 538 CG LYS A 47 3.131 0.926 -9.569 1.00 1.00 C ATOM 539 CD LYS A 47 1.831 0.665 -10.313 1.00 1.00 C ATOM 540 CE LYS A 47 1.390 1.883 -11.109 1.00 1.00 C ATOM 541 NZ LYS A 47 0.043 1.693 -11.715 1.00 1.00 N ATOM 542 HA LYS A 47 1.540 0.433 -7.664 1.00 0.00 H ATOM 543 HB2 LYS A 47 2.475 2.805 -8.802 1.00 0.00 H ATOM 544 HB3 LYS A 47 3.899 2.125 -7.981 1.00 0.00 H ATOM 545 HG2 LYS A 47 3.857 1.351 -10.262 1.00 0.00 H ATOM 546 HG3 LYS A 47 3.512 -0.018 -9.179 1.00 0.00 H ATOM 547 HD2 LYS A 47 1.976 -0.172 -10.996 1.00 0.00 H ATOM 548 HD3 LYS A 47 1.054 0.413 -9.591 1.00 0.00 H ATOM 549 HE2 LYS A 47 2.112 2.065 -11.905 1.00 0.00 H ATOM 550 HE3 LYS A 47 1.359 2.746 -10.444 1.00 0.00 H ATOM 551 HZ1 LYS A 47 0.065 0.875 -12.356 1.00 0.00 H ATOM 552 HZ2 LYS A 47 -0.654 1.526 -10.962 1.00 0.00 H ATOM 553 HZ3 LYS A 47 -0.219 2.546 -12.249 1.00 0.00 H ATOM 554 H LYS A 47 0.934 3.206 -7.489 1.00 0.00 H ATOM 555 N GLU A 48 3.394 2.007 -5.410 1.00 1.00 N ATOM 556 CA GLU A 48 4.199 1.787 -4.214 1.00 1.00 C ATOM 557 C GLU A 48 3.352 1.149 -3.121 1.00 1.00 C ATOM 558 O GLU A 48 3.782 0.204 -2.460 1.00 1.00 O ATOM 559 CB GLU A 48 4.797 3.101 -3.710 1.00 1.00 C ATOM 560 CG GLU A 48 5.560 3.875 -4.774 1.00 1.00 C ATOM 561 CD GLU A 48 7.063 3.732 -4.631 1.00 1.00 C ATOM 562 OE1 GLU A 48 7.512 2.706 -4.080 1.00 1.00 O ATOM 563 OE2 GLU A 48 7.790 4.648 -5.070 1.00 1.00 O ATOM 564 HA GLU A 48 5.016 1.113 -4.473 1.00 0.00 H ATOM 565 HB2 GLU A 48 3.986 3.730 -3.342 1.00 0.00 H ATOM 566 HB3 GLU A 48 5.481 2.876 -2.891 1.00 0.00 H ATOM 567 HG2 GLU A 48 5.265 3.504 -5.755 1.00 0.00 H ATOM 568 HG3 GLU A 48 5.300 4.930 -4.693 1.00 0.00 H ATOM 569 H GLU A 48 3.238 2.978 -5.749 1.00 0.00 H ATOM 570 N VAL A 49 2.136 1.662 -2.947 1.00 1.00 N ATOM 571 CA VAL A 49 1.222 1.128 -1.944 1.00 1.00 C ATOM 572 C VAL A 49 0.996 -0.358 -2.186 1.00 1.00 C ATOM 573 O VAL A 49 1.223 -1.189 -1.307 1.00 1.00 O ATOM 574 CB VAL A 49 -0.143 1.846 -1.967 1.00 1.00 C ATOM 575 CG1 VAL A 49 -0.925 1.537 -0.699 1.00 1.00 C ATOM 576 CG2 VAL A 49 0.031 3.350 -2.146 1.00 1.00 C ATOM 577 HA VAL A 49 1.682 1.291 -0.969 1.00 0.00 H ATOM 578 HB VAL A 49 -0.710 1.475 -2.821 1.00 0.00 H ATOM 579 HG11 VAL A 49 -1.089 0.462 -0.628 1.00 0.00 H ATOM 580 HG12 VAL A 49 -0.358 1.877 0.168 1.00 0.00 H ATOM 581 HG13 VAL A 49 -1.885 2.051 -0.732 1.00 0.00 H ATOM 582 HG21 VAL A 49 0.621 3.747 -1.320 1.00 0.00 H ATOM 583 HG22 VAL A 49 0.544 3.546 -3.087 1.00 0.00 H ATOM 584 HG23 VAL A 49 -0.948 3.829 -2.158 1.00 0.00 H ATOM 585 H VAL A 49 1.831 2.461 -3.539 1.00 0.00 H ATOM 586 N LEU A 50 0.559 -0.679 -3.399 1.00 1.00 N ATOM 587 CA LEU A 50 0.309 -2.059 -3.789 1.00 1.00 C ATOM 588 C LEU A 50 1.607 -2.870 -3.799 1.00 1.00 C ATOM 589 O LEU A 50 1.577 -4.100 -3.851 1.00 1.00 O ATOM 590 CB LEU A 50 -0.345 -2.093 -5.174 1.00 1.00 C ATOM 591 CG LEU A 50 -1.724 -2.753 -5.224 1.00 1.00 C ATOM 592 CD1 LEU A 50 -2.423 -2.429 -6.534 1.00 1.00 C ATOM 593 CD2 LEU A 50 -1.606 -4.258 -5.040 1.00 1.00 C ATOM 594 HA LEU A 50 -0.364 -2.509 -3.059 1.00 0.00 H ATOM 595 HB2 LEU A 50 -0.449 -1.066 -5.524 1.00 0.00 H ATOM 596 HB3 LEU A 50 0.316 -2.640 -5.847 1.00 0.00 H ATOM 597 HG LEU A 50 -2.324 -2.355 -4.406 1.00 0.00 H ATOM 598 HD21 LEU A 50 -0.987 -4.673 -5.836 1.00 0.00 H ATOM 599 HD22 LEU A 50 -1.148 -4.470 -4.074 1.00 0.00 H ATOM 600 HD23 LEU A 50 -2.599 -4.706 -5.079 1.00 0.00 H ATOM 601 HD11 LEU A 50 -2.543 -1.349 -6.623 1.00 0.00 H ATOM 602 HD12 LEU A 50 -1.823 -2.798 -7.366 1.00 0.00 H ATOM 603 HD13 LEU A 50 -3.402 -2.908 -6.550 1.00 0.00 H ATOM 604 H LEU A 50 0.390 0.079 -4.091 1.00 0.00 H ATOM 605 N TYR A 51 2.745 -2.177 -3.758 1.00 1.00 N ATOM 606 CA TYR A 51 4.046 -2.839 -3.772 1.00 1.00 C ATOM 607 C TYR A 51 4.464 -3.293 -2.373 1.00 1.00 C ATOM 608 O TYR A 51 4.744 -4.472 -2.159 1.00 1.00 O ATOM 609 CB TYR A 51 5.111 -1.912 -4.365 1.00 1.00 C ATOM 610 CG TYR A 51 6.419 -2.608 -4.667 1.00 1.00 C ATOM 611 CD1 TYR A 51 7.361 -2.824 -3.669 1.00 1.00 C ATOM 612 CD2 TYR A 51 6.712 -3.050 -5.952 1.00 1.00 C ATOM 613 CE1 TYR A 51 8.557 -3.460 -3.942 1.00 1.00 C ATOM 614 CE2 TYR A 51 7.905 -3.687 -6.232 1.00 1.00 C ATOM 615 CZ TYR A 51 8.824 -3.889 -5.225 1.00 1.00 C ATOM 616 OH TYR A 51 10.014 -4.523 -5.500 1.00 1.00 O ATOM 617 HA TYR A 51 3.956 -3.727 -4.398 1.00 0.00 H ATOM 618 HB3 TYR A 51 5.304 -1.109 -3.654 1.00 0.00 H ATOM 619 HB2 TYR A 51 4.723 -1.489 -5.292 1.00 0.00 H ATOM 620 HD2 TYR A 51 5.988 -2.891 -6.752 1.00 0.00 H ATOM 621 HE2 TYR A 51 8.119 -4.028 -7.245 1.00 0.00 H ATOM 622 HE1 TYR A 51 9.285 -3.622 -3.147 1.00 0.00 H ATOM 623 HD1 TYR A 51 7.153 -2.486 -2.654 1.00 0.00 H ATOM 624 HH TYR A 51 10.553 -4.585 -4.672 1.00 0.00 H ATOM 625 H TYR A 51 2.705 -1.139 -3.715 1.00 0.00 H ATOM 626 N HIS A 52 4.510 -2.361 -1.422 1.00 1.00 N ATOM 627 CA HIS A 52 4.902 -2.698 -0.055 1.00 1.00 C ATOM 628 C HIS A 52 3.853 -3.583 0.605 1.00 1.00 C ATOM 629 O HIS A 52 4.172 -4.407 1.462 1.00 1.00 O ATOM 630 CB HIS A 52 5.112 -1.441 0.796 1.00 1.00 C ATOM 631 CG HIS A 52 5.696 -0.280 0.053 1.00 1.00 C ATOM 632 ND1 HIS A 52 6.969 -0.287 -0.473 1.00 1.00 N ATOM 633 CD2 HIS A 52 5.181 0.939 -0.229 1.00 1.00 C ATOM 634 CE1 HIS A 52 7.213 0.879 -1.044 1.00 1.00 C ATOM 635 NE2 HIS A 52 6.144 1.642 -0.910 1.00 1.00 N ATOM 636 HA HIS A 52 5.846 -3.239 -0.116 1.00 0.00 H ATOM 637 HB2 HIS A 52 4.146 -1.137 1.199 1.00 0.00 H ATOM 638 HB3 HIS A 52 5.784 -1.693 1.617 1.00 0.00 H ATOM 639 HD2 HIS A 52 4.186 1.297 0.035 1.00 0.00 H ATOM 640 HE1 HIS A 52 8.140 1.163 -1.542 1.00 0.00 H ATOM 641 H HIS A 52 4.263 -1.378 -1.656 1.00 0.00 H ATOM 642 N LEU A 53 2.599 -3.409 0.202 1.00 1.00 N ATOM 643 CA LEU A 53 1.511 -4.184 0.749 1.00 1.00 C ATOM 644 C LEU A 53 1.662 -5.652 0.367 1.00 1.00 C ATOM 645 O LEU A 53 1.465 -6.544 1.192 1.00 1.00 O ATOM 646 CB LEU A 53 0.186 -3.627 0.243 1.00 1.00 C ATOM 647 CG LEU A 53 -1.034 -4.378 0.736 1.00 1.00 C ATOM 648 CD1 LEU A 53 -1.177 -4.221 2.242 1.00 1.00 C ATOM 649 CD2 LEU A 53 -2.287 -3.900 0.019 1.00 1.00 C ATOM 650 HA LEU A 53 1.530 -4.115 1.837 1.00 0.00 H ATOM 651 HB2 LEU A 53 0.104 -2.590 0.569 1.00 0.00 H ATOM 652 HB3 LEU A 53 0.193 -3.664 -0.846 1.00 0.00 H ATOM 653 HG LEU A 53 -0.903 -5.437 0.512 1.00 0.00 H ATOM 654 HD21 LEU A 53 -2.428 -2.836 0.207 1.00 0.00 H ATOM 655 HD22 LEU A 53 -2.178 -4.069 -1.052 1.00 0.00 H ATOM 656 HD23 LEU A 53 -3.150 -4.454 0.390 1.00 0.00 H ATOM 657 HD11 LEU A 53 -0.290 -4.620 2.734 1.00 0.00 H ATOM 658 HD12 LEU A 53 -1.285 -3.164 2.487 1.00 0.00 H ATOM 659 HD13 LEU A 53 -2.058 -4.766 2.581 1.00 0.00 H ATOM 660 H LEU A 53 2.396 -2.696 -0.527 1.00 0.00 H ATOM 661 N GLY A 54 2.038 -5.897 -0.885 1.00 1.00 N ATOM 662 CA GLY A 54 2.236 -7.259 -1.338 1.00 1.00 C ATOM 663 C GLY A 54 3.368 -7.923 -0.587 1.00 1.00 C ATOM 664 O GLY A 54 3.293 -9.103 -0.240 1.00 1.00 O ATOM 665 HA3 GLY A 54 2.471 -7.250 -2.402 1.00 0.00 H ATOM 666 HA2 GLY A 54 1.319 -7.826 -1.175 1.00 0.00 H ATOM 667 H GLY A 54 2.191 -5.106 -1.543 1.00 0.00 H ATOM 668 N GLN A 55 4.415 -7.148 -0.316 1.00 1.00 N ATOM 669 CA GLN A 55 5.567 -7.647 0.421 1.00 1.00 C ATOM 670 C GLN A 55 5.209 -7.825 1.893 1.00 1.00 C ATOM 671 O GLN A 55 5.775 -8.671 2.585 1.00 1.00 O ATOM 672 CB GLN A 55 6.748 -6.685 0.281 1.00 1.00 C ATOM 673 CG GLN A 55 7.260 -6.552 -1.144 1.00 1.00 C ATOM 674 CD GLN A 55 8.625 -5.896 -1.212 1.00 1.00 C ATOM 675 OE1 GLN A 55 9.580 -6.475 -1.730 1.00 1.00 O ATOM 676 NE2 GLN A 55 8.724 -4.680 -0.688 1.00 1.00 N ATOM 677 HA GLN A 55 5.854 -8.613 0.006 1.00 0.00 H ATOM 678 HB2 GLN A 55 6.434 -5.701 0.628 1.00 0.00 H ATOM 679 HB3 GLN A 55 7.563 -7.046 0.908 1.00 0.00 H ATOM 680 HG2 GLN A 55 7.327 -7.546 -1.586 1.00 0.00 H ATOM 681 HG3 GLN A 55 6.553 -5.949 -1.715 1.00 0.00 H ATOM 682 HE22 GLN A 55 7.890 -4.229 -0.260 1.00 0.00 H ATOM 683 HE21 GLN A 55 9.635 -4.179 -0.705 1.00 0.00 H ATOM 684 H GLN A 55 4.410 -6.160 -0.639 1.00 0.00 H ATOM 685 N TYR A 56 4.254 -7.025 2.361 1.00 1.00 N ATOM 686 CA TYR A 56 3.807 -7.096 3.745 1.00 1.00 C ATOM 687 C TYR A 56 3.224 -8.476 4.041 1.00 1.00 C ATOM 688 O TYR A 56 3.350 -8.992 5.151 1.00 1.00 O ATOM 689 CB TYR A 56 2.760 -6.010 4.020 1.00 1.00 C ATOM 690 CG TYR A 56 2.086 -6.138 5.369 1.00 1.00 C ATOM 691 CD1 TYR A 56 0.949 -6.920 5.523 1.00 1.00 C ATOM 692 CD2 TYR A 56 2.590 -5.484 6.486 1.00 1.00 C ATOM 693 CE1 TYR A 56 0.331 -7.045 6.752 1.00 1.00 C ATOM 694 CE2 TYR A 56 1.979 -5.607 7.720 1.00 1.00 C ATOM 695 CZ TYR A 56 0.850 -6.388 7.847 1.00 1.00 C ATOM 696 OH TYR A 56 0.239 -6.513 9.073 1.00 1.00 O ATOM 697 HA TYR A 56 4.664 -6.930 4.398 1.00 0.00 H ATOM 698 HB3 TYR A 56 1.994 -6.067 3.246 1.00 0.00 H ATOM 699 HB2 TYR A 56 3.252 -5.038 3.972 1.00 0.00 H ATOM 700 HD2 TYR A 56 3.481 -4.864 6.388 1.00 0.00 H ATOM 701 HE2 TYR A 56 2.388 -5.089 8.588 1.00 0.00 H ATOM 702 HE1 TYR A 56 -0.563 -7.660 6.855 1.00 0.00 H ATOM 703 HD1 TYR A 56 0.537 -7.444 4.660 1.00 0.00 H ATOM 704 HH TYR A 56 -0.551 -7.104 8.988 1.00 0.00 H ATOM 705 H TYR A 56 3.816 -6.331 1.722 1.00 0.00 H ATOM 706 N ILE A 57 2.585 -9.065 3.035 1.00 1.00 N ATOM 707 CA ILE A 57 1.979 -10.383 3.179 1.00 1.00 C ATOM 708 C ILE A 57 3.039 -11.481 3.219 1.00 1.00 C ATOM 709 O ILE A 57 3.073 -12.287 4.149 1.00 1.00 O ATOM 710 CB ILE A 57 0.996 -10.676 2.030 1.00 1.00 C ATOM 711 CG1 ILE A 57 0.009 -9.519 1.867 1.00 1.00 C ATOM 712 CG2 ILE A 57 0.252 -11.980 2.283 1.00 1.00 C ATOM 713 CD1 ILE A 57 -0.899 -9.664 0.665 1.00 1.00 C ATOM 714 HA ILE A 57 1.435 -10.377 4.123 1.00 0.00 H ATOM 715 HB ILE A 57 1.565 -10.779 1.106 1.00 0.00 H ATOM 716 HG12 ILE A 57 -0.610 -9.465 2.763 1.00 0.00 H ATOM 717 HG13 ILE A 57 0.576 -8.594 1.762 1.00 0.00 H ATOM 718 HD11 ILE A 57 -0.295 -9.709 -0.241 1.00 0.00 H ATOM 719 HD12 ILE A 57 -1.482 -10.580 0.760 1.00 0.00 H ATOM 720 HD13 ILE A 57 -1.571 -8.807 0.614 1.00 0.00 H ATOM 721 HG21 ILE A 57 0.969 -12.798 2.353 1.00 0.00 H ATOM 722 HG22 ILE A 57 -0.306 -11.903 3.216 1.00 0.00 H ATOM 723 HG23 ILE A 57 -0.437 -12.169 1.460 1.00 0.00 H ATOM 724 H ILE A 57 2.516 -8.573 2.122 1.00 0.00 H ATOM 725 N MET A 58 3.898 -11.513 2.205 1.00 1.00 N ATOM 726 CA MET A 58 4.951 -12.521 2.130 1.00 1.00 C ATOM 727 C MET A 58 5.845 -12.475 3.368 1.00 1.00 C ATOM 728 O MET A 58 6.237 -13.515 3.898 1.00 1.00 O ATOM 729 CB MET A 58 5.792 -12.327 0.865 1.00 1.00 C ATOM 730 CG MET A 58 6.652 -11.074 0.888 1.00 1.00 C ATOM 731 SD MET A 58 7.567 -10.830 -0.647 1.00 1.00 S ATOM 732 CE MET A 58 6.235 -10.863 -1.843 1.00 1.00 C ATOM 733 HA MET A 58 4.474 -13.500 2.089 1.00 0.00 H ATOM 734 HB2 MET A 58 6.446 -13.191 0.751 1.00 0.00 H ATOM 735 HB3 MET A 58 5.119 -12.267 0.010 1.00 0.00 H ATOM 736 HG2 MET A 58 7.364 -11.154 1.710 1.00 0.00 H ATOM 737 HG3 MET A 58 6.007 -10.211 1.051 1.00 0.00 H ATOM 738 HE1 MET A 58 5.723 -11.824 -1.788 1.00 0.00 H ATOM 739 HE2 MET A 58 5.530 -10.061 -1.623 1.00 0.00 H ATOM 740 HE3 MET A 58 6.644 -10.724 -2.844 1.00 0.00 H ATOM 741 H MET A 58 3.818 -10.804 1.448 1.00 0.00 H ATOM 742 N ALA A 59 6.163 -11.268 3.825 1.00 1.00 N ATOM 743 CA ALA A 59 7.009 -11.100 5.001 1.00 1.00 C ATOM 744 C ALA A 59 6.337 -11.679 6.241 1.00 1.00 C ATOM 745 O ALA A 59 6.875 -12.577 6.888 1.00 1.00 O ATOM 746 CB ALA A 59 7.341 -9.629 5.209 1.00 1.00 C ATOM 747 HA ALA A 59 7.938 -11.645 4.835 1.00 0.00 H ATOM 748 HB1 ALA A 59 7.869 -9.250 4.334 1.00 0.00 H ATOM 749 HB2 ALA A 59 6.418 -9.066 5.351 1.00 0.00 H ATOM 750 HB3 ALA A 59 7.973 -9.522 6.091 1.00 0.00 H ATOM 751 H ALA A 59 5.801 -10.426 3.334 1.00 0.00 H ATOM 752 N LYS A 60 5.154 -11.164 6.563 1.00 1.00 N ATOM 753 CA LYS A 60 4.405 -11.635 7.719 1.00 1.00 C ATOM 754 C LYS A 60 3.978 -13.090 7.534 1.00 1.00 C ATOM 755 O LYS A 60 3.737 -13.805 8.506 1.00 1.00 O ATOM 756 CB LYS A 60 3.176 -10.753 7.936 1.00 1.00 C ATOM 757 CG LYS A 60 3.405 -9.588 8.889 1.00 1.00 C ATOM 758 CD LYS A 60 4.663 -8.799 8.550 1.00 1.00 C ATOM 759 CE LYS A 60 4.367 -7.669 7.577 1.00 1.00 C ATOM 760 NZ LYS A 60 5.452 -7.502 6.572 1.00 1.00 N ATOM 761 HA LYS A 60 5.050 -11.576 8.596 1.00 0.00 H ATOM 762 HB2 LYS A 60 2.869 -10.350 6.971 1.00 0.00 H ATOM 763 HB3 LYS A 60 2.376 -11.374 8.340 1.00 0.00 H ATOM 764 HG2 LYS A 60 2.547 -8.918 8.836 1.00 0.00 H ATOM 765 HG3 LYS A 60 3.498 -9.978 9.903 1.00 0.00 H ATOM 766 HD2 LYS A 60 5.075 -8.378 9.467 1.00 0.00 H ATOM 767 HD3 LYS A 60 5.393 -9.472 8.100 1.00 0.00 H ATOM 768 HE2 LYS A 60 4.260 -6.740 8.137 1.00 0.00 H ATOM 769 HE3 LYS A 60 3.435 -7.887 7.056 1.00 0.00 H ATOM 770 HZ1 LYS A 60 6.345 -7.286 7.060 1.00 0.00 H ATOM 771 HZ2 LYS A 60 5.557 -8.382 6.027 1.00 0.00 H ATOM 772 HZ3 LYS A 60 5.210 -6.722 5.929 1.00 0.00 H ATOM 773 H LYS A 60 4.754 -10.406 5.974 1.00 0.00 H ATOM 774 N GLN A 61 3.886 -13.522 6.276 1.00 1.00 N ATOM 775 CA GLN A 61 3.488 -14.890 5.954 1.00 1.00 C ATOM 776 C GLN A 61 2.002 -15.109 6.227 1.00 1.00 C ATOM 777 O GLN A 61 1.627 -15.920 7.074 1.00 1.00 O ATOM 778 CB GLN A 61 4.324 -15.894 6.753 1.00 1.00 C ATOM 779 CG GLN A 61 4.256 -17.312 6.208 1.00 1.00 C ATOM 780 CD GLN A 61 5.607 -17.828 5.751 1.00 1.00 C ATOM 781 OE1 GLN A 61 5.959 -18.982 5.996 1.00 1.00 O ATOM 782 NE2 GLN A 61 6.372 -16.973 5.083 1.00 1.00 N ATOM 783 HA GLN A 61 3.667 -15.049 4.891 1.00 0.00 H ATOM 784 HB2 GLN A 61 5.364 -15.568 6.737 1.00 0.00 H ATOM 785 HB3 GLN A 61 3.963 -15.902 7.782 1.00 0.00 H ATOM 786 HG2 GLN A 61 3.878 -17.969 6.991 1.00 0.00 H ATOM 787 HG3 GLN A 61 3.571 -17.328 5.360 1.00 0.00 H ATOM 788 HE22 GLN A 61 6.034 -16.007 4.899 1.00 0.00 H ATOM 789 HE21 GLN A 61 7.310 -17.269 4.744 1.00 0.00 H ATOM 790 H GLN A 61 4.104 -12.865 5.500 1.00 0.00 H ATOM 791 N LEU A 62 1.160 -14.381 5.500 1.00 1.00 N ATOM 792 CA LEU A 62 -0.286 -14.496 5.658 1.00 1.00 C ATOM 793 C LEU A 62 -0.882 -15.458 4.630 1.00 1.00 C ATOM 794 O LEU A 62 -2.059 -15.809 4.708 1.00 1.00 O ATOM 795 CB LEU A 62 -0.946 -13.121 5.522 1.00 1.00 C ATOM 796 CG LEU A 62 -0.318 -12.008 6.365 1.00 1.00 C ATOM 797 CD1 LEU A 62 -1.106 -10.717 6.211 1.00 1.00 C ATOM 798 CD2 LEU A 62 -0.249 -12.415 7.829 1.00 1.00 C ATOM 799 HA LEU A 62 -0.481 -14.894 6.654 1.00 0.00 H ATOM 800 HB2 LEU A 62 -0.891 -12.823 4.475 1.00 0.00 H ATOM 801 HB3 LEU A 62 -1.991 -13.218 5.816 1.00 0.00 H ATOM 802 HG LEU A 62 0.698 -11.841 6.008 1.00 0.00 H ATOM 803 HD21 LEU A 62 -1.256 -12.611 8.198 1.00 0.00 H ATOM 804 HD22 LEU A 62 0.357 -13.316 7.926 1.00 0.00 H ATOM 805 HD23 LEU A 62 0.201 -11.609 8.408 1.00 0.00 H ATOM 806 HD11 LEU A 62 -1.104 -10.414 5.164 1.00 0.00 H ATOM 807 HD12 LEU A 62 -2.132 -10.877 6.542 1.00 0.00 H ATOM 808 HD13 LEU A 62 -0.645 -9.937 6.817 1.00 0.00 H ATOM 809 H LEU A 62 1.542 -13.712 4.801 1.00 0.00 H ATOM 810 N TYR A 63 -0.067 -15.879 3.665 1.00 1.00 N ATOM 811 CA TYR A 63 -0.524 -16.795 2.626 1.00 1.00 C ATOM 812 C TYR A 63 -0.547 -18.234 3.134 1.00 1.00 C ATOM 813 O TYR A 63 0.172 -18.586 4.069 1.00 1.00 O ATOM 814 CB TYR A 63 0.377 -16.689 1.395 1.00 1.00 C ATOM 815 CG TYR A 63 1.824 -17.023 1.677 1.00 1.00 C ATOM 816 CD1 TYR A 63 2.241 -18.342 1.809 1.00 1.00 C ATOM 817 CD2 TYR A 63 2.773 -16.018 1.816 1.00 1.00 C ATOM 818 CE1 TYR A 63 3.562 -18.650 2.072 1.00 1.00 C ATOM 819 CE2 TYR A 63 4.097 -16.318 2.078 1.00 1.00 C ATOM 820 CZ TYR A 63 4.485 -17.635 2.206 1.00 1.00 C ATOM 821 OH TYR A 63 5.802 -17.937 2.467 1.00 1.00 O ATOM 822 HA TYR A 63 -1.541 -16.514 2.351 1.00 0.00 H ATOM 823 HB3 TYR A 63 0.326 -15.668 1.016 1.00 0.00 H ATOM 824 HB2 TYR A 63 0.006 -17.376 0.635 1.00 0.00 H ATOM 825 HD2 TYR A 63 2.469 -14.976 1.717 1.00 0.00 H ATOM 826 HE2 TYR A 63 4.830 -15.518 2.183 1.00 0.00 H ATOM 827 HE1 TYR A 63 3.873 -19.690 2.173 1.00 0.00 H ATOM 828 HD1 TYR A 63 1.514 -19.147 1.703 1.00 0.00 H ATOM 829 HH TYR A 63 5.908 -18.919 2.528 1.00 0.00 H ATOM 830 H TYR A 63 0.918 -15.547 3.652 1.00 0.00 H ATOM 831 N ASP A 64 -1.381 -19.061 2.510 1.00 1.00 N ATOM 832 CA ASP A 64 -1.504 -20.464 2.894 1.00 1.00 C ATOM 833 C ASP A 64 -0.584 -21.343 2.057 1.00 1.00 C ATOM 834 O ASP A 64 -0.380 -21.088 0.870 1.00 1.00 O ATOM 835 CB ASP A 64 -2.948 -20.939 2.720 1.00 1.00 C ATOM 836 CG ASP A 64 -3.257 -22.168 3.552 1.00 1.00 C ATOM 837 OD1 ASP A 64 -2.309 -22.899 3.907 1.00 1.00 O ATOM 838 OD2 ASP A 64 -4.448 -22.400 3.849 1.00 1.00 O ATOM 839 HA ASP A 64 -1.215 -20.547 3.942 1.00 0.00 H ATOM 840 HB2 ASP A 64 -3.620 -20.135 3.020 1.00 0.00 H ATOM 841 HB3 ASP A 64 -3.114 -21.176 1.669 1.00 0.00 H ATOM 842 H ASP A 64 -1.961 -18.698 1.727 1.00 0.00 H ATOM 843 N GLU A 65 -0.045 -22.390 2.674 1.00 1.00 N ATOM 844 CA GLU A 65 0.833 -23.314 1.967 1.00 1.00 C ATOM 845 C GLU A 65 0.099 -23.902 0.769 1.00 1.00 C ATOM 846 O GLU A 65 0.591 -23.858 -0.359 1.00 1.00 O ATOM 847 CB GLU A 65 1.302 -24.430 2.902 1.00 1.00 C ATOM 848 CG GLU A 65 2.573 -24.092 3.663 1.00 1.00 C ATOM 849 CD GLU A 65 2.820 -25.028 4.830 1.00 1.00 C ATOM 850 OE1 GLU A 65 3.350 -26.135 4.601 1.00 1.00 O ATOM 851 OE2 GLU A 65 2.482 -24.654 5.972 1.00 1.00 O ATOM 852 HA GLU A 65 1.711 -22.770 1.617 1.00 0.00 H ATOM 853 HB2 GLU A 65 0.511 -24.630 3.624 1.00 0.00 H ATOM 854 HB3 GLU A 65 1.484 -25.325 2.307 1.00 0.00 H ATOM 855 HG2 GLU A 65 3.418 -24.157 2.978 1.00 0.00 H ATOM 856 HG3 GLU A 65 2.492 -23.074 4.043 1.00 0.00 H ATOM 857 H GLU A 65 -0.254 -22.553 3.680 1.00 0.00 H ATOM 858 N LYS A 66 -1.093 -24.439 1.025 1.00 1.00 N ATOM 859 CA LYS A 66 -1.917 -25.023 -0.034 1.00 1.00 C ATOM 860 C LYS A 66 -1.976 -24.095 -1.242 1.00 1.00 C ATOM 861 O LYS A 66 -1.275 -24.303 -2.232 1.00 1.00 O ATOM 862 CB LYS A 66 -3.337 -25.316 0.466 1.00 1.00 C ATOM 863 CG LYS A 66 -3.815 -24.380 1.560 1.00 1.00 C ATOM 864 CD LYS A 66 -5.329 -24.240 1.555 1.00 1.00 C ATOM 865 CE LYS A 66 -5.766 -22.921 0.940 1.00 1.00 C ATOM 866 NZ LYS A 66 -7.244 -22.848 0.772 1.00 1.00 N ATOM 867 HA LYS A 66 -1.454 -25.964 -0.330 1.00 0.00 H ATOM 868 HB2 LYS A 66 -4.021 -25.233 -0.378 1.00 0.00 H ATOM 869 HB3 LYS A 66 -3.360 -26.335 0.853 1.00 0.00 H ATOM 870 HG2 LYS A 66 -3.499 -24.774 2.526 1.00 0.00 H ATOM 871 HG3 LYS A 66 -3.368 -23.398 1.406 1.00 0.00 H ATOM 872 HD2 LYS A 66 -5.759 -25.059 0.978 1.00 0.00 H ATOM 873 HD3 LYS A 66 -5.693 -24.290 2.581 1.00 0.00 H ATOM 874 HE2 LYS A 66 -5.294 -22.814 -0.037 1.00 0.00 H ATOM 875 HE3 LYS A 66 -5.444 -22.106 1.588 1.00 0.00 H ATOM 876 HZ1 LYS A 66 -7.559 -23.619 0.149 1.00 0.00 H ATOM 877 HZ2 LYS A 66 -7.702 -22.942 1.701 1.00 0.00 H ATOM 878 HZ3 LYS A 66 -7.499 -21.932 0.350 1.00 0.00 H ATOM 879 H LYS A 66 -1.447 -24.443 2.003 1.00 0.00 H ATOM 880 N GLN A 67 -2.804 -23.061 -1.146 1.00 1.00 N ATOM 881 CA GLN A 67 -2.939 -22.094 -2.223 1.00 1.00 C ATOM 882 C GLN A 67 -2.051 -20.883 -1.958 1.00 1.00 C ATOM 883 O GLN A 67 -2.168 -20.233 -0.919 1.00 1.00 O ATOM 884 CB GLN A 67 -4.396 -21.647 -2.364 1.00 1.00 C ATOM 885 CG GLN A 67 -5.351 -22.753 -2.795 1.00 1.00 C ATOM 886 CD GLN A 67 -4.751 -23.686 -3.831 1.00 1.00 C ATOM 887 OE1 GLN A 67 -4.864 -23.450 -5.034 1.00 1.00 O ATOM 888 NE2 GLN A 67 -4.110 -24.752 -3.367 1.00 1.00 N ATOM 889 HA GLN A 67 -2.626 -22.570 -3.152 1.00 0.00 H ATOM 890 HB2 GLN A 67 -4.730 -21.263 -1.400 1.00 0.00 H ATOM 891 HB3 GLN A 67 -4.439 -20.850 -3.106 1.00 0.00 H ATOM 892 HG2 GLN A 67 -5.624 -23.338 -1.917 1.00 0.00 H ATOM 893 HG3 GLN A 67 -6.246 -22.295 -3.217 1.00 0.00 H ATOM 894 HE22 GLN A 67 -4.040 -24.911 -2.342 1.00 0.00 H ATOM 895 HE21 GLN A 67 -3.678 -25.428 -4.029 1.00 0.00 H ATOM 896 H GLN A 67 -3.368 -22.940 -0.281 1.00 0.00 H ATOM 897 N GLN A 68 -1.164 -20.586 -2.899 1.00 1.00 N ATOM 898 CA GLN A 68 -0.258 -19.453 -2.757 1.00 1.00 C ATOM 899 C GLN A 68 -0.982 -18.135 -3.022 1.00 1.00 C ATOM 900 O GLN A 68 -0.513 -17.069 -2.623 1.00 1.00 O ATOM 901 CB GLN A 68 0.930 -19.601 -3.709 1.00 1.00 C ATOM 902 CG GLN A 68 2.074 -20.414 -3.126 1.00 1.00 C ATOM 903 CD GLN A 68 1.866 -21.907 -3.280 1.00 1.00 C ATOM 904 OE1 GLN A 68 1.607 -22.400 -4.378 1.00 1.00 O ATOM 905 NE2 GLN A 68 1.979 -22.637 -2.176 1.00 1.00 N ATOM 906 HA GLN A 68 0.109 -19.440 -1.731 1.00 0.00 H ATOM 907 HB2 GLN A 68 0.585 -20.093 -4.619 1.00 0.00 H ATOM 908 HB3 GLN A 68 1.303 -18.606 -3.954 1.00 0.00 H ATOM 909 HG2 GLN A 68 2.996 -20.135 -3.636 1.00 0.00 H ATOM 910 HG3 GLN A 68 2.163 -20.181 -2.065 1.00 0.00 H ATOM 911 HE22 GLN A 68 2.199 -22.178 -1.269 1.00 0.00 H ATOM 912 HE21 GLN A 68 1.847 -23.668 -2.218 1.00 0.00 H ATOM 913 H GLN A 68 -1.114 -21.174 -3.756 1.00 0.00 H ATOM 914 N HIS A 69 -2.128 -18.213 -3.695 1.00 1.00 N ATOM 915 CA HIS A 69 -2.911 -17.024 -4.006 1.00 1.00 C ATOM 916 C HIS A 69 -3.990 -16.779 -2.950 1.00 1.00 C ATOM 917 O HIS A 69 -4.899 -15.974 -3.157 1.00 1.00 O ATOM 918 CB HIS A 69 -3.544 -17.156 -5.395 1.00 1.00 C ATOM 919 CG HIS A 69 -4.689 -18.121 -5.450 1.00 1.00 C ATOM 920 ND1 HIS A 69 -4.572 -19.402 -5.946 1.00 1.00 N ATOM 921 CD2 HIS A 69 -5.981 -17.986 -5.064 1.00 1.00 C ATOM 922 CE1 HIS A 69 -5.741 -20.012 -5.866 1.00 1.00 C ATOM 923 NE2 HIS A 69 -6.612 -19.175 -5.334 1.00 1.00 N ATOM 924 HA HIS A 69 -2.239 -16.166 -4.003 1.00 0.00 H ATOM 925 HB2 HIS A 69 -3.906 -16.175 -5.702 1.00 0.00 H ATOM 926 HB3 HIS A 69 -2.777 -17.493 -6.092 1.00 0.00 H ATOM 927 HD2 HIS A 69 -6.435 -17.099 -4.622 1.00 0.00 H ATOM 928 HE1 HIS A 69 -5.951 -21.033 -6.185 1.00 0.00 H ATOM 929 H HIS A 69 -2.472 -19.144 -4.006 1.00 0.00 H ATOM 930 N ILE A 70 -3.885 -17.472 -1.818 1.00 1.00 N ATOM 931 CA ILE A 70 -4.852 -17.319 -0.738 1.00 1.00 C ATOM 932 C ILE A 70 -4.209 -16.680 0.485 1.00 1.00 C ATOM 933 O ILE A 70 -3.129 -17.082 0.917 1.00 1.00 O ATOM 934 CB ILE A 70 -5.469 -18.671 -0.330 1.00 1.00 C ATOM 935 CG1 ILE A 70 -6.204 -19.295 -1.515 1.00 1.00 C ATOM 936 CG2 ILE A 70 -6.414 -18.498 0.854 1.00 1.00 C ATOM 937 CD1 ILE A 70 -7.371 -18.470 -2.009 1.00 1.00 C ATOM 938 HA ILE A 70 -5.642 -16.670 -1.115 1.00 0.00 H ATOM 939 HB ILE A 70 -4.664 -19.340 -0.027 1.00 0.00 H ATOM 940 HG12 ILE A 70 -5.496 -19.416 -2.335 1.00 0.00 H ATOM 941 HG13 ILE A 70 -6.577 -20.273 -1.212 1.00 0.00 H ATOM 942 HD11 ILE A 70 -8.096 -18.349 -1.204 1.00 0.00 H ATOM 943 HD12 ILE A 70 -7.013 -17.491 -2.327 1.00 0.00 H ATOM 944 HD13 ILE A 70 -7.842 -18.977 -2.851 1.00 0.00 H ATOM 945 HG21 ILE A 70 -5.862 -18.092 1.702 1.00 0.00 H ATOM 946 HG22 ILE A 70 -7.216 -17.813 0.580 1.00 0.00 H ATOM 947 HG23 ILE A 70 -6.837 -19.466 1.124 1.00 0.00 H ATOM 948 H ILE A 70 -3.095 -18.138 -1.702 1.00 0.00 H ATOM 949 N VAL A 71 -4.886 -15.685 1.039 1.00 1.00 N ATOM 950 CA VAL A 71 -4.393 -14.985 2.217 1.00 1.00 C ATOM 951 C VAL A 71 -5.446 -14.949 3.319 1.00 1.00 C ATOM 952 O VAL A 71 -6.349 -14.113 3.296 1.00 1.00 O ATOM 953 CB VAL A 71 -3.969 -13.543 1.882 1.00 1.00 C ATOM 954 CG1 VAL A 71 -3.271 -12.903 3.073 1.00 1.00 C ATOM 955 CG2 VAL A 71 -3.073 -13.521 0.651 1.00 1.00 C ATOM 956 HA VAL A 71 -3.522 -15.539 2.568 1.00 0.00 H ATOM 957 HB VAL A 71 -4.864 -12.962 1.660 1.00 0.00 H ATOM 958 HG11 VAL A 71 -3.952 -12.884 3.924 1.00 0.00 H ATOM 959 HG12 VAL A 71 -2.384 -13.483 3.328 1.00 0.00 H ATOM 960 HG13 VAL A 71 -2.979 -11.885 2.817 1.00 0.00 H ATOM 961 HG21 VAL A 71 -2.181 -14.117 0.842 1.00 0.00 H ATOM 962 HG22 VAL A 71 -3.615 -13.937 -0.198 1.00 0.00 H ATOM 963 HG23 VAL A 71 -2.785 -12.493 0.431 1.00 0.00 H ATOM 964 H VAL A 71 -5.794 -15.396 0.621 1.00 0.00 H ATOM 965 N HIS A 72 -5.326 -15.852 4.287 1.00 1.00 N ATOM 966 CA HIS A 72 -6.274 -15.903 5.393 1.00 1.00 C ATOM 967 C HIS A 72 -5.549 -15.866 6.738 1.00 1.00 C ATOM 968 O HIS A 72 -5.051 -16.882 7.223 1.00 1.00 O ATOM 969 CB HIS A 72 -7.155 -17.156 5.288 1.00 1.00 C ATOM 970 CG HIS A 72 -6.452 -18.432 5.640 1.00 1.00 C ATOM 971 ND1 HIS A 72 -5.313 -18.868 4.999 1.00 1.00 N ATOM 972 CD2 HIS A 72 -6.731 -19.365 6.582 1.00 1.00 C ATOM 973 CE1 HIS A 72 -4.922 -20.013 5.529 1.00 1.00 C ATOM 974 NE2 HIS A 72 -5.765 -20.336 6.491 1.00 1.00 N ATOM 975 HA HIS A 72 -6.914 -15.023 5.332 1.00 0.00 H ATOM 976 HB2 HIS A 72 -8.003 -17.035 5.962 1.00 0.00 H ATOM 977 HB3 HIS A 72 -7.516 -17.236 4.263 1.00 0.00 H ATOM 978 HD2 HIS A 72 -7.567 -19.348 7.282 1.00 0.00 H ATOM 979 HE1 HIS A 72 -4.051 -20.593 5.223 1.00 0.00 H ATOM 980 H HIS A 72 -4.542 -16.534 4.255 1.00 0.00 H ATOM 981 N CYS A 73 -5.497 -14.681 7.335 1.00 1.00 N ATOM 982 CA CYS A 73 -4.842 -14.500 8.623 1.00 1.00 C ATOM 983 C CYS A 73 -5.753 -13.743 9.583 1.00 1.00 C ATOM 984 O CYS A 73 -5.907 -12.526 9.476 1.00 1.00 O ATOM 985 CB CYS A 73 -3.518 -13.754 8.446 1.00 1.00 C ATOM 986 SG CYS A 73 -2.087 -14.637 9.114 1.00 1.00 S ATOM 987 HA CYS A 73 -4.634 -15.483 9.046 1.00 0.00 H ATOM 988 HB2 CYS A 73 -3.595 -12.792 8.952 1.00 0.00 H ATOM 989 HB3 CYS A 73 -3.355 -13.591 7.381 1.00 0.00 H ATOM 990 HG CYS A 73 -0.948 -13.887 8.907 1.00 0.00 H ATOM 991 H CYS A 73 -5.936 -13.860 6.870 1.00 0.00 H ATOM 992 N SER A 74 -6.366 -14.467 10.514 1.00 1.00 N ATOM 993 CA SER A 74 -7.270 -13.851 11.478 1.00 1.00 C ATOM 994 C SER A 74 -6.564 -12.795 12.301 1.00 1.00 C ATOM 995 O SER A 74 -7.067 -11.679 12.439 1.00 1.00 O ATOM 996 CB SER A 74 -7.890 -14.910 12.392 1.00 1.00 C ATOM 997 OG SER A 74 -7.025 -16.022 12.545 1.00 1.00 O ATOM 998 HA SER A 74 -8.067 -13.363 10.917 1.00 0.00 H ATOM 999 HB2 SER A 74 -8.831 -15.248 11.958 1.00 0.00 H ATOM 1000 HB3 SER A 74 -8.080 -14.469 13.371 1.00 0.00 H ATOM 1001 HG SER A 74 -7.450 -16.690 13.140 1.00 0.00 H ATOM 1002 H SER A 74 -6.198 -15.492 10.556 1.00 0.00 H ATOM 1003 N ASN A 75 -5.394 -13.118 12.831 1.00 1.00 N ATOM 1004 CA ASN A 75 -4.665 -12.134 13.603 1.00 1.00 C ATOM 1005 C ASN A 75 -3.622 -11.471 12.724 1.00 1.00 C ATOM 1006 O ASN A 75 -2.494 -11.949 12.600 1.00 1.00 O ATOM 1007 CB ASN A 75 -3.996 -12.790 14.813 1.00 1.00 C ATOM 1008 CG ASN A 75 -3.073 -13.926 14.417 1.00 1.00 C ATOM 1009 OD1 ASN A 75 -3.265 -14.565 13.382 1.00 1.00 O ATOM 1010 ND2 ASN A 75 -2.063 -14.183 15.240 1.00 1.00 N ATOM 1011 HA ASN A 75 -5.363 -11.380 13.965 1.00 0.00 H ATOM 1012 HB2 ASN A 75 -3.416 -12.036 15.344 1.00 0.00 H ATOM 1013 HB3 ASN A 75 -4.771 -13.181 15.472 1.00 0.00 H ATOM 1014 HD22 ASN A 75 -1.939 -13.617 16.104 1.00 0.00 H ATOM 1015 HD21 ASN A 75 -1.396 -14.950 15.021 1.00 0.00 H ATOM 1016 H ASN A 75 -5.002 -14.071 12.694 1.00 0.00 H ATOM 1017 N ASP A 76 -4.012 -10.357 12.124 1.00 1.00 N ATOM 1018 CA ASP A 76 -3.116 -9.601 11.257 1.00 1.00 C ATOM 1019 C ASP A 76 -3.620 -8.174 11.057 1.00 1.00 C ATOM 1020 O ASP A 76 -4.804 -7.962 10.798 1.00 1.00 O ATOM 1021 CB ASP A 76 -2.969 -10.295 9.903 1.00 1.00 C ATOM 1022 CG ASP A 76 -1.755 -9.808 9.136 1.00 1.00 C ATOM 1023 OD1 ASP A 76 -0.633 -10.253 9.456 1.00 1.00 O ATOM 1024 OD2 ASP A 76 -1.926 -8.980 8.217 1.00 1.00 O ATOM 1025 HA ASP A 76 -2.141 -9.558 11.742 1.00 0.00 H ATOM 1026 HB2 ASP A 76 -2.873 -11.368 10.067 1.00 0.00 H ATOM 1027 HB3 ASP A 76 -3.862 -10.098 9.309 1.00 0.00 H ATOM 1028 H ASP A 76 -4.982 -10.013 12.275 1.00 0.00 H ATOM 1029 N PRO A 77 -2.730 -7.171 11.161 1.00 1.00 N ATOM 1030 CA PRO A 77 -3.115 -5.776 10.973 1.00 1.00 C ATOM 1031 C PRO A 77 -3.804 -5.558 9.630 1.00 1.00 C ATOM 1032 O PRO A 77 -4.638 -4.664 9.485 1.00 1.00 O ATOM 1033 CB PRO A 77 -1.791 -5.009 11.019 1.00 1.00 C ATOM 1034 CG PRO A 77 -0.804 -5.921 11.660 1.00 1.00 C ATOM 1035 CD PRO A 77 -1.295 -7.325 11.458 1.00 1.00 C ATOM 1036 HA PRO A 77 -3.826 -5.448 11.731 1.00 0.00 H ATOM 1037 HD3 PRO A 77 -0.777 -7.799 10.625 1.00 0.00 H ATOM 1038 HD2 PRO A 77 -1.149 -7.919 12.360 1.00 0.00 H ATOM 1039 HG3 PRO A 77 -0.730 -5.701 12.725 1.00 0.00 H ATOM 1040 HG2 PRO A 77 0.174 -5.797 11.196 1.00 0.00 H ATOM 1041 HB2 PRO A 77 -1.468 -4.751 10.010 1.00 0.00 H ATOM 1042 HB3 PRO A 77 -1.902 -4.098 11.607 1.00 0.00 H ATOM 1043 N LEU A 78 -3.451 -6.387 8.652 1.00 1.00 N ATOM 1044 CA LEU A 78 -4.036 -6.293 7.321 1.00 1.00 C ATOM 1045 C LEU A 78 -5.489 -6.755 7.339 1.00 1.00 C ATOM 1046 O LEU A 78 -6.374 -6.075 6.820 1.00 1.00 O ATOM 1047 CB LEU A 78 -3.236 -7.132 6.324 1.00 1.00 C ATOM 1048 CG LEU A 78 -3.737 -7.071 4.881 1.00 1.00 C ATOM 1049 CD1 LEU A 78 -3.175 -5.847 4.174 1.00 1.00 C ATOM 1050 CD2 LEU A 78 -3.362 -8.341 4.132 1.00 1.00 C ATOM 1051 HA LEU A 78 -4.004 -5.249 7.010 1.00 0.00 H ATOM 1052 HB2 LEU A 78 -2.204 -6.783 6.339 1.00 0.00 H ATOM 1053 HB3 LEU A 78 -3.271 -8.171 6.651 1.00 0.00 H ATOM 1054 HG LEU A 78 -4.824 -6.990 4.896 1.00 0.00 H ATOM 1055 HD21 LEU A 78 -2.278 -8.451 4.126 1.00 0.00 H ATOM 1056 HD22 LEU A 78 -3.813 -9.200 4.628 1.00 0.00 H ATOM 1057 HD23 LEU A 78 -3.727 -8.278 3.107 1.00 0.00 H ATOM 1058 HD11 LEU A 78 -3.495 -4.947 4.699 1.00 0.00 H ATOM 1059 HD12 LEU A 78 -2.086 -5.899 4.170 1.00 0.00 H ATOM 1060 HD13 LEU A 78 -3.543 -5.821 3.148 1.00 0.00 H ATOM 1061 H LEU A 78 -2.739 -7.121 8.842 1.00 0.00 H ATOM 1062 N GLY A 79 -5.727 -7.915 7.944 1.00 1.00 N ATOM 1063 CA GLY A 79 -7.074 -8.446 8.024 1.00 1.00 C ATOM 1064 C GLY A 79 -8.024 -7.496 8.723 1.00 1.00 C ATOM 1065 O GLY A 79 -9.150 -7.287 8.270 1.00 1.00 O ATOM 1066 HA3 GLY A 79 -7.049 -9.386 8.575 1.00 0.00 H ATOM 1067 HA2 GLY A 79 -7.440 -8.628 7.014 1.00 0.00 H ATOM 1068 H GLY A 79 -4.939 -8.447 8.364 1.00 0.00 H ATOM 1069 N GLU A 80 -7.568 -6.911 9.826 1.00 1.00 N ATOM 1070 CA GLU A 80 -8.384 -5.971 10.582 1.00 1.00 C ATOM 1071 C GLU A 80 -8.654 -4.712 9.759 1.00 1.00 C ATOM 1072 O GLU A 80 -9.651 -4.021 9.969 1.00 1.00 O ATOM 1073 CB GLU A 80 -7.697 -5.616 11.910 1.00 1.00 C ATOM 1074 CG GLU A 80 -6.666 -4.501 11.804 1.00 1.00 C ATOM 1075 CD GLU A 80 -7.166 -3.190 12.379 1.00 1.00 C ATOM 1076 OE1 GLU A 80 -8.020 -2.546 11.734 1.00 1.00 O ATOM 1077 OE2 GLU A 80 -6.704 -2.808 13.475 1.00 1.00 O ATOM 1078 HA GLU A 80 -9.341 -6.443 10.805 1.00 0.00 H ATOM 1079 HB2 GLU A 80 -8.464 -5.305 12.619 1.00 0.00 H ATOM 1080 HB3 GLU A 80 -7.197 -6.509 12.285 1.00 0.00 H ATOM 1081 HG2 GLU A 80 -5.769 -4.801 12.346 1.00 0.00 H ATOM 1082 HG3 GLU A 80 -6.420 -4.351 10.753 1.00 0.00 H ATOM 1083 H GLU A 80 -6.607 -7.130 10.157 1.00 0.00 H ATOM 1084 N LEU A 81 -7.759 -4.426 8.816 1.00 1.00 N ATOM 1085 CA LEU A 81 -7.896 -3.259 7.953 1.00 1.00 C ATOM 1086 C LEU A 81 -8.981 -3.488 6.908 1.00 1.00 C ATOM 1087 O LEU A 81 -9.979 -2.770 6.863 1.00 1.00 O ATOM 1088 CB LEU A 81 -6.566 -2.957 7.262 1.00 1.00 C ATOM 1089 CG LEU A 81 -6.591 -1.775 6.291 1.00 1.00 C ATOM 1090 CD1 LEU A 81 -6.626 -0.459 7.053 1.00 1.00 C ATOM 1091 CD2 LEU A 81 -5.385 -1.823 5.364 1.00 1.00 C ATOM 1092 HA LEU A 81 -8.181 -2.407 8.570 1.00 0.00 H ATOM 1093 HB2 LEU A 81 -5.825 -2.745 8.033 1.00 0.00 H ATOM 1094 HB3 LEU A 81 -6.265 -3.845 6.706 1.00 0.00 H ATOM 1095 HG LEU A 81 -7.495 -1.845 5.686 1.00 0.00 H ATOM 1096 HD21 LEU A 81 -4.471 -1.777 5.956 1.00 0.00 H ATOM 1097 HD22 LEU A 81 -5.403 -2.752 4.794 1.00 0.00 H ATOM 1098 HD23 LEU A 81 -5.420 -0.975 4.681 1.00 0.00 H ATOM 1099 HD11 LEU A 81 -7.520 -0.425 7.676 1.00 0.00 H ATOM 1100 HD12 LEU A 81 -5.740 -0.382 7.683 1.00 0.00 H ATOM 1101 HD13 LEU A 81 -6.643 0.369 6.345 1.00 0.00 H ATOM 1102 H LEU A 81 -6.939 -5.053 8.691 1.00 0.00 H ATOM 1103 N PHE A 82 -8.775 -4.497 6.068 1.00 1.00 N ATOM 1104 CA PHE A 82 -9.732 -4.828 5.019 1.00 1.00 C ATOM 1105 C PHE A 82 -11.074 -5.242 5.616 1.00 1.00 C ATOM 1106 O PHE A 82 -12.118 -5.089 4.983 1.00 1.00 O ATOM 1107 CB PHE A 82 -9.187 -5.954 4.137 1.00 1.00 C ATOM 1108 CG PHE A 82 -7.874 -5.630 3.480 1.00 1.00 C ATOM 1109 CD1 PHE A 82 -7.584 -4.337 3.076 1.00 1.00 C ATOM 1110 CD2 PHE A 82 -6.931 -6.622 3.266 1.00 1.00 C ATOM 1111 CE1 PHE A 82 -6.379 -4.038 2.471 1.00 1.00 C ATOM 1112 CE2 PHE A 82 -5.723 -6.330 2.660 1.00 1.00 C ATOM 1113 CZ PHE A 82 -5.447 -5.036 2.263 1.00 1.00 C ATOM 1114 HA PHE A 82 -9.884 -3.938 4.409 1.00 0.00 H ATOM 1115 HB2 PHE A 82 -9.052 -6.841 4.756 1.00 0.00 H ATOM 1116 HB3 PHE A 82 -9.919 -6.165 3.357 1.00 0.00 H ATOM 1117 HD2 PHE A 82 -7.144 -7.644 3.579 1.00 0.00 H ATOM 1118 HE2 PHE A 82 -4.990 -7.120 2.496 1.00 0.00 H ATOM 1119 HZ PHE A 82 -4.495 -4.803 1.786 1.00 0.00 H ATOM 1120 HE1 PHE A 82 -6.164 -3.016 2.158 1.00 0.00 H ATOM 1121 HD1 PHE A 82 -8.316 -3.546 3.238 1.00 0.00 H ATOM 1122 H PHE A 82 -7.909 -5.065 6.161 1.00 0.00 H ATOM 1123 N GLY A 83 -11.038 -5.768 6.836 1.00 1.00 N ATOM 1124 CA GLY A 83 -12.258 -6.197 7.494 1.00 1.00 C ATOM 1125 C GLY A 83 -12.631 -7.624 7.146 1.00 1.00 C ATOM 1126 O GLY A 83 -13.811 -7.971 7.100 1.00 1.00 O ATOM 1127 HA3 GLY A 83 -13.071 -5.538 7.189 1.00 0.00 H ATOM 1128 HA2 GLY A 83 -12.118 -6.124 8.573 1.00 0.00 H ATOM 1129 H GLY A 83 -10.126 -5.873 7.324 1.00 0.00 H ATOM 1130 N VAL A 84 -11.622 -8.454 6.901 1.00 1.00 N ATOM 1131 CA VAL A 84 -11.848 -9.852 6.554 1.00 1.00 C ATOM 1132 C VAL A 84 -10.686 -10.726 7.014 1.00 1.00 C ATOM 1133 O VAL A 84 -9.550 -10.262 7.116 1.00 1.00 O ATOM 1134 CB VAL A 84 -12.041 -10.031 5.037 1.00 1.00 C ATOM 1135 CG1 VAL A 84 -13.323 -9.354 4.577 1.00 1.00 C ATOM 1136 CG2 VAL A 84 -10.840 -9.487 4.277 1.00 1.00 C ATOM 1137 HA VAL A 84 -12.759 -10.162 7.067 1.00 0.00 H ATOM 1138 HB VAL A 84 -12.124 -11.097 4.824 1.00 0.00 H ATOM 1139 HG11 VAL A 84 -14.173 -9.797 5.096 1.00 0.00 H ATOM 1140 HG12 VAL A 84 -13.272 -8.289 4.804 1.00 0.00 H ATOM 1141 HG13 VAL A 84 -13.440 -9.493 3.502 1.00 0.00 H ATOM 1142 HG21 VAL A 84 -10.723 -8.426 4.496 1.00 0.00 H ATOM 1143 HG22 VAL A 84 -9.943 -10.024 4.585 1.00 0.00 H ATOM 1144 HG23 VAL A 84 -10.997 -9.623 3.207 1.00 0.00 H ATOM 1145 H VAL A 84 -10.647 -8.097 6.958 1.00 0.00 H ATOM 1146 N GLN A 85 -10.977 -11.992 7.291 1.00 1.00 N ATOM 1147 CA GLN A 85 -9.955 -12.932 7.740 1.00 1.00 C ATOM 1148 C GLN A 85 -9.630 -13.947 6.648 1.00 1.00 C ATOM 1149 O GLN A 85 -9.200 -15.065 6.935 1.00 1.00 O ATOM 1150 CB GLN A 85 -10.419 -13.657 9.006 1.00 1.00 C ATOM 1151 CG GLN A 85 -11.093 -12.747 10.020 1.00 1.00 C ATOM 1152 CD GLN A 85 -10.099 -11.951 10.842 1.00 1.00 C ATOM 1153 OE1 GLN A 85 -9.958 -12.166 12.046 1.00 1.00 O ATOM 1154 NE2 GLN A 85 -9.402 -11.024 10.194 1.00 1.00 N ATOM 1155 HA GLN A 85 -9.051 -12.366 7.965 1.00 0.00 H ATOM 1156 HB2 GLN A 85 -11.126 -14.435 8.718 1.00 0.00 H ATOM 1157 HB3 GLN A 85 -9.550 -14.115 9.479 1.00 0.00 H ATOM 1158 HG2 GLN A 85 -11.742 -12.052 9.488 1.00 0.00 H ATOM 1159 HG3 GLN A 85 -11.693 -13.359 10.694 1.00 0.00 H ATOM 1160 HE22 GLN A 85 -9.554 -10.876 9.176 1.00 0.00 H ATOM 1161 HE21 GLN A 85 -8.705 -10.446 10.705 1.00 0.00 H ATOM 1162 H GLN A 85 -11.958 -12.322 7.185 1.00 0.00 H ATOM 1163 N GLU A 86 -9.836 -13.551 5.396 1.00 1.00 N ATOM 1164 CA GLU A 86 -9.565 -14.424 4.259 1.00 1.00 C ATOM 1165 C GLU A 86 -9.904 -13.724 2.947 1.00 1.00 C ATOM 1166 O GLU A 86 -10.995 -13.176 2.790 1.00 1.00 O ATOM 1167 CB GLU A 86 -10.367 -15.721 4.378 1.00 1.00 C ATOM 1168 CG GLU A 86 -11.859 -15.499 4.564 1.00 1.00 C ATOM 1169 CD GLU A 86 -12.698 -16.356 3.636 1.00 1.00 C ATOM 1170 OE1 GLU A 86 -12.629 -16.144 2.407 1.00 1.00 O ATOM 1171 OE2 GLU A 86 -13.423 -17.241 4.139 1.00 1.00 O ATOM 1172 HA GLU A 86 -8.501 -14.663 4.262 1.00 0.00 H ATOM 1173 HB2 GLU A 86 -10.216 -16.305 3.470 1.00 0.00 H ATOM 1174 HB3 GLU A 86 -9.992 -16.281 5.235 1.00 0.00 H ATOM 1175 HG2 GLU A 86 -12.122 -15.739 5.594 1.00 0.00 H ATOM 1176 HG3 GLU A 86 -12.083 -14.450 4.368 1.00 0.00 H ATOM 1177 H GLU A 86 -10.200 -12.593 5.222 1.00 0.00 H ATOM 1178 N PHE A 87 -8.964 -13.744 2.008 1.00 1.00 N ATOM 1179 CA PHE A 87 -9.173 -13.107 0.713 1.00 1.00 C ATOM 1180 C PHE A 87 -8.185 -13.630 -0.325 1.00 1.00 C ATOM 1181 O PHE A 87 -6.998 -13.793 -0.041 1.00 1.00 O ATOM 1182 CB PHE A 87 -9.038 -11.587 0.839 1.00 1.00 C ATOM 1183 CG PHE A 87 -7.645 -11.130 1.168 1.00 1.00 C ATOM 1184 CD1 PHE A 87 -6.706 -10.950 0.165 1.00 1.00 C ATOM 1185 CD2 PHE A 87 -7.275 -10.880 2.480 1.00 1.00 C ATOM 1186 CE1 PHE A 87 -5.424 -10.530 0.464 1.00 1.00 C ATOM 1187 CE2 PHE A 87 -5.994 -10.459 2.785 1.00 1.00 C ATOM 1188 CZ PHE A 87 -5.068 -10.284 1.776 1.00 1.00 C ATOM 1189 HA PHE A 87 -10.182 -13.351 0.380 1.00 0.00 H ATOM 1190 HB2 PHE A 87 -9.334 -11.135 -0.108 1.00 0.00 H ATOM 1191 HB3 PHE A 87 -9.708 -11.246 1.628 1.00 0.00 H ATOM 1192 HD2 PHE A 87 -8.002 -11.017 3.280 1.00 0.00 H ATOM 1193 HE2 PHE A 87 -5.715 -10.265 3.821 1.00 0.00 H ATOM 1194 HZ PHE A 87 -4.057 -9.952 2.014 1.00 0.00 H ATOM 1195 HE1 PHE A 87 -4.695 -10.393 -0.334 1.00 0.00 H ATOM 1196 HD1 PHE A 87 -6.982 -11.142 -0.872 1.00 0.00 H ATOM 1197 H PHE A 87 -8.061 -14.223 2.200 1.00 0.00 H ATOM 1198 N SER A 88 -8.683 -13.883 -1.530 1.00 1.00 N ATOM 1199 CA SER A 88 -7.844 -14.378 -2.615 1.00 1.00 C ATOM 1200 C SER A 88 -7.262 -13.217 -3.413 1.00 1.00 C ATOM 1201 O SER A 88 -7.923 -12.197 -3.612 1.00 1.00 O ATOM 1202 CB SER A 88 -8.652 -15.293 -3.537 1.00 1.00 C ATOM 1203 OG SER A 88 -9.685 -14.575 -4.190 1.00 1.00 O ATOM 1204 HA SER A 88 -7.024 -14.950 -2.181 1.00 0.00 H ATOM 1205 HB2 SER A 88 -9.094 -16.095 -2.945 1.00 0.00 H ATOM 1206 HB3 SER A 88 -7.987 -15.721 -4.287 1.00 0.00 H ATOM 1207 HG SER A 88 -9.288 -13.848 -4.732 1.00 0.00 H ATOM 1208 H SER A 88 -9.696 -13.724 -1.704 1.00 0.00 H ATOM 1209 N VAL A 89 -6.023 -13.374 -3.868 1.00 1.00 N ATOM 1210 CA VAL A 89 -5.364 -12.330 -4.643 1.00 1.00 C ATOM 1211 C VAL A 89 -5.644 -12.473 -6.138 1.00 1.00 C ATOM 1212 O VAL A 89 -5.009 -11.814 -6.961 1.00 1.00 O ATOM 1213 CB VAL A 89 -3.840 -12.325 -4.414 1.00 1.00 C ATOM 1214 CG1 VAL A 89 -3.508 -11.699 -3.071 1.00 1.00 C ATOM 1215 CG2 VAL A 89 -3.270 -13.732 -4.508 1.00 1.00 C ATOM 1216 HA VAL A 89 -5.778 -11.384 -4.293 1.00 0.00 H ATOM 1217 HB VAL A 89 -3.380 -11.724 -5.199 1.00 0.00 H ATOM 1218 HG11 VAL A 89 -3.874 -10.672 -3.050 1.00 0.00 H ATOM 1219 HG12 VAL A 89 -3.985 -12.273 -2.276 1.00 0.00 H ATOM 1220 HG13 VAL A 89 -2.428 -11.704 -2.926 1.00 0.00 H ATOM 1221 HG21 VAL A 89 -3.736 -14.363 -3.751 1.00 0.00 H ATOM 1222 HG22 VAL A 89 -3.474 -14.140 -5.498 1.00 0.00 H ATOM 1223 HG23 VAL A 89 -2.193 -13.698 -4.342 1.00 0.00 H ATOM 1224 H VAL A 89 -5.514 -14.258 -3.667 1.00 0.00 H ATOM 1225 N LYS A 90 -6.601 -13.331 -6.487 1.00 1.00 N ATOM 1226 CA LYS A 90 -6.960 -13.545 -7.883 1.00 1.00 C ATOM 1227 C LYS A 90 -7.921 -12.463 -8.365 1.00 1.00 C ATOM 1228 O LYS A 90 -7.888 -12.061 -9.528 1.00 1.00 O ATOM 1229 CB LYS A 90 -7.591 -14.928 -8.063 1.00 1.00 C ATOM 1230 CG LYS A 90 -6.928 -15.762 -9.147 1.00 1.00 C ATOM 1231 CD LYS A 90 -7.937 -16.633 -9.876 1.00 1.00 C ATOM 1232 CE LYS A 90 -7.279 -17.862 -10.481 1.00 1.00 C ATOM 1233 NZ LYS A 90 -8.132 -18.491 -11.526 1.00 1.00 N ATOM 1234 HA LYS A 90 -6.051 -13.491 -8.482 1.00 0.00 H ATOM 1235 HB2 LYS A 90 -7.516 -15.467 -7.119 1.00 0.00 H ATOM 1236 HB3 LYS A 90 -8.641 -14.797 -8.323 1.00 0.00 H ATOM 1237 HG2 LYS A 90 -6.451 -15.095 -9.865 1.00 0.00 H ATOM 1238 HG3 LYS A 90 -6.173 -16.401 -8.690 1.00 0.00 H ATOM 1239 HD2 LYS A 90 -8.704 -16.953 -9.171 1.00 0.00 H ATOM 1240 HD3 LYS A 90 -8.398 -16.050 -10.673 1.00 0.00 H ATOM 1241 HE2 LYS A 90 -7.096 -18.589 -9.690 1.00 0.00 H ATOM 1242 HE3 LYS A 90 -6.330 -17.569 -10.930 1.00 0.00 H ATOM 1243 HZ1 LYS A 90 -9.038 -18.780 -11.105 1.00 0.00 H ATOM 1244 HZ2 LYS A 90 -8.306 -17.806 -12.289 1.00 0.00 H ATOM 1245 HZ3 LYS A 90 -7.646 -19.325 -11.912 1.00 0.00 H ATOM 1246 H LYS A 90 -7.104 -13.860 -5.746 1.00 0.00 H ATOM 1247 N GLU A 91 -8.775 -11.994 -7.460 1.00 1.00 N ATOM 1248 CA GLU A 91 -9.744 -10.955 -7.788 1.00 1.00 C ATOM 1249 C GLU A 91 -9.209 -9.580 -7.405 1.00 1.00 C ATOM 1250 O GLU A 91 -9.604 -9.008 -6.389 1.00 1.00 O ATOM 1251 CB GLU A 91 -11.070 -11.221 -7.072 1.00 1.00 C ATOM 1252 CG GLU A 91 -11.717 -12.540 -7.463 1.00 1.00 C ATOM 1253 CD GLU A 91 -13.112 -12.362 -8.031 1.00 1.00 C ATOM 1254 OE1 GLU A 91 -13.280 -11.522 -8.939 1.00 1.00 O ATOM 1255 OE2 GLU A 91 -14.035 -13.064 -7.568 1.00 1.00 O ATOM 1256 HA GLU A 91 -9.914 -10.973 -8.865 1.00 0.00 H ATOM 1257 HB2 GLU A 91 -10.886 -11.232 -5.998 1.00 0.00 H ATOM 1258 HB3 GLU A 91 -11.761 -10.413 -7.313 1.00 0.00 H ATOM 1259 HG2 GLU A 91 -11.094 -13.025 -8.214 1.00 0.00 H ATOM 1260 HG3 GLU A 91 -11.779 -13.174 -6.579 1.00 0.00 H ATOM 1261 H GLU A 91 -8.751 -12.378 -6.494 1.00 0.00 H ATOM 1262 N HIS A 92 -8.302 -9.057 -8.224 1.00 1.00 N ATOM 1263 CA HIS A 92 -7.702 -7.750 -7.975 1.00 1.00 C ATOM 1264 C HIS A 92 -8.771 -6.672 -7.808 1.00 1.00 C ATOM 1265 O HIS A 92 -8.557 -5.674 -7.120 1.00 1.00 O ATOM 1266 CB HIS A 92 -6.761 -7.376 -9.122 1.00 1.00 C ATOM 1267 CG HIS A 92 -5.516 -8.206 -9.168 1.00 1.00 C ATOM 1268 ND1 HIS A 92 -4.675 -8.243 -10.261 1.00 1.00 N ATOM 1269 CD2 HIS A 92 -4.968 -9.033 -8.246 1.00 1.00 C ATOM 1270 CE1 HIS A 92 -3.666 -9.058 -10.010 1.00 1.00 C ATOM 1271 NE2 HIS A 92 -3.820 -9.549 -8.795 1.00 1.00 N ATOM 1272 HA HIS A 92 -7.134 -7.813 -7.047 1.00 0.00 H ATOM 1273 HB2 HIS A 92 -7.296 -7.504 -10.063 1.00 0.00 H ATOM 1274 HB3 HIS A 92 -6.475 -6.331 -9.007 1.00 0.00 H ATOM 1275 HD2 HIS A 92 -5.364 -9.249 -7.254 1.00 0.00 H ATOM 1276 HE1 HIS A 92 -2.846 -9.286 -10.691 1.00 0.00 H ATOM 1277 H HIS A 92 -8.012 -9.594 -9.066 1.00 0.00 H ATOM 1278 N ARG A 93 -9.920 -6.878 -8.444 1.00 1.00 N ATOM 1279 CA ARG A 93 -11.019 -5.922 -8.366 1.00 1.00 C ATOM 1280 C ARG A 93 -11.456 -5.705 -6.921 1.00 1.00 C ATOM 1281 O ARG A 93 -11.663 -4.571 -6.489 1.00 1.00 O ATOM 1282 CB ARG A 93 -12.204 -6.410 -9.202 1.00 1.00 C ATOM 1283 CG ARG A 93 -12.125 -6.003 -10.664 1.00 1.00 C ATOM 1284 CD ARG A 93 -13.028 -6.866 -11.531 1.00 1.00 C ATOM 1285 NE ARG A 93 -12.422 -7.161 -12.827 1.00 1.00 N ATOM 1286 CZ ARG A 93 -11.460 -8.064 -13.007 1.00 1.00 C ATOM 1287 NH1 ARG A 93 -10.993 -8.761 -11.979 1.00 1.00 N ATOM 1288 NH2 ARG A 93 -10.965 -8.272 -14.220 1.00 1.00 N ATOM 1289 HA ARG A 93 -10.667 -4.970 -8.764 1.00 0.00 H ATOM 1290 HB2 ARG A 93 -12.239 -7.498 -9.148 1.00 0.00 H ATOM 1291 HB3 ARG A 93 -13.119 -5.997 -8.778 1.00 0.00 H ATOM 1292 HG2 ARG A 93 -12.432 -4.961 -10.759 1.00 0.00 H ATOM 1293 HG3 ARG A 93 -11.096 -6.110 -11.007 1.00 0.00 H ATOM 1294 HD2 ARG A 93 -13.968 -6.340 -11.693 1.00 0.00 H ATOM 1295 HD3 ARG A 93 -13.223 -7.804 -11.012 1.00 0.00 H ATOM 1296 HE ARG A 93 -12.762 -6.635 -13.657 1.00 0.00 H ATOM 1297 HH12 ARG A 93 -10.242 -9.465 -12.126 1.00 0.00 H ATOM 1298 HH11 ARG A 93 -11.378 -8.604 -11.026 1.00 0.00 H ATOM 1299 HH22 ARG A 93 -10.214 -8.977 -14.361 1.00 0.00 H ATOM 1300 HH21 ARG A 93 -11.328 -7.730 -15.030 1.00 0.00 H ATOM 1301 H ARG A 93 -10.038 -7.742 -9.011 1.00 0.00 H ATOM 1302 N ARG A 94 -11.596 -6.798 -6.178 1.00 1.00 N ATOM 1303 CA ARG A 94 -12.011 -6.725 -4.781 1.00 1.00 C ATOM 1304 C ARG A 94 -10.958 -6.015 -3.934 1.00 1.00 C ATOM 1305 O ARG A 94 -11.268 -5.079 -3.198 1.00 1.00 O ATOM 1306 CB ARG A 94 -12.266 -8.131 -4.231 1.00 1.00 C ATOM 1307 CG ARG A 94 -13.592 -8.266 -3.500 1.00 1.00 C ATOM 1308 CD ARG A 94 -13.999 -9.723 -3.347 1.00 1.00 C ATOM 1309 NE ARG A 94 -15.416 -9.930 -3.638 1.00 1.00 N ATOM 1310 CZ ARG A 94 -16.094 -11.020 -3.286 1.00 1.00 C ATOM 1311 NH1 ARG A 94 -15.489 -12.002 -2.629 1.00 1.00 N ATOM 1312 NH2 ARG A 94 -17.380 -11.128 -3.590 1.00 1.00 N ATOM 1313 HA ARG A 94 -12.935 -6.149 -4.731 1.00 0.00 H ATOM 1314 HB2 ARG A 94 -12.258 -8.834 -5.064 1.00 0.00 H ATOM 1315 HB3 ARG A 94 -11.463 -8.381 -3.538 1.00 0.00 H ATOM 1316 HG2 ARG A 94 -13.498 -7.818 -2.511 1.00 0.00 H ATOM 1317 HG3 ARG A 94 -14.363 -7.740 -4.064 1.00 0.00 H ATOM 1318 HD2 ARG A 94 -13.800 -10.038 -2.323 1.00 0.00 H ATOM 1319 HD3 ARG A 94 -13.407 -10.328 -4.033 1.00 0.00 H ATOM 1320 HE ARG A 94 -15.925 -9.181 -4.150 1.00 0.00 H ATOM 1321 HH12 ARG A 94 -16.023 -12.852 -2.356 1.00 0.00 H ATOM 1322 HH11 ARG A 94 -14.481 -11.922 -2.387 1.00 0.00 H ATOM 1323 HH22 ARG A 94 -17.910 -11.980 -3.315 1.00 0.00 H ATOM 1324 HH21 ARG A 94 -17.859 -10.361 -4.104 1.00 0.00 H ATOM 1325 H ARG A 94 -11.405 -7.728 -6.603 1.00 0.00 H ATOM 1326 N ILE A 95 -9.714 -6.469 -4.044 1.00 1.00 N ATOM 1327 CA ILE A 95 -8.615 -5.880 -3.288 1.00 1.00 C ATOM 1328 C ILE A 95 -8.389 -4.425 -3.688 1.00 1.00 C ATOM 1329 O ILE A 95 -8.339 -3.536 -2.839 1.00 1.00 O ATOM 1330 CB ILE A 95 -7.308 -6.666 -3.500 1.00 1.00 C ATOM 1331 CG1 ILE A 95 -7.538 -8.152 -3.223 1.00 1.00 C ATOM 1332 CG2 ILE A 95 -6.204 -6.115 -2.606 1.00 1.00 C ATOM 1333 CD1 ILE A 95 -6.280 -8.983 -3.314 1.00 1.00 C ATOM 1334 HA ILE A 95 -8.894 -5.925 -2.235 1.00 0.00 H ATOM 1335 HB ILE A 95 -6.993 -6.552 -4.537 1.00 0.00 H ATOM 1336 HG12 ILE A 95 -7.949 -8.257 -2.219 1.00 0.00 H ATOM 1337 HG13 ILE A 95 -8.256 -8.532 -3.950 1.00 0.00 H ATOM 1338 HD11 ILE A 95 -5.862 -8.898 -4.317 1.00 0.00 H ATOM 1339 HD12 ILE A 95 -5.555 -8.623 -2.585 1.00 0.00 H ATOM 1340 HD13 ILE A 95 -6.519 -10.026 -3.106 1.00 0.00 H ATOM 1341 HG21 ILE A 95 -6.031 -5.067 -2.849 1.00 0.00 H ATOM 1342 HG22 ILE A 95 -6.506 -6.203 -1.562 1.00 0.00 H ATOM 1343 HG23 ILE A 95 -5.288 -6.683 -2.770 1.00 0.00 H ATOM 1344 H ILE A 95 -9.519 -7.264 -4.685 1.00 0.00 H ATOM 1345 N TYR A 96 -8.252 -4.193 -4.988 1.00 1.00 N ATOM 1346 CA TYR A 96 -8.029 -2.850 -5.515 1.00 1.00 C ATOM 1347 C TYR A 96 -9.042 -1.855 -4.950 1.00 1.00 C ATOM 1348 O TYR A 96 -8.746 -0.668 -4.801 1.00 1.00 O ATOM 1349 CB TYR A 96 -8.117 -2.874 -7.042 1.00 1.00 C ATOM 1350 CG TYR A 96 -7.687 -1.584 -7.703 1.00 1.00 C ATOM 1351 CD1 TYR A 96 -8.563 -0.511 -7.813 1.00 1.00 C ATOM 1352 CD2 TYR A 96 -6.407 -1.443 -8.224 1.00 1.00 C ATOM 1353 CE1 TYR A 96 -8.175 0.666 -8.423 1.00 1.00 C ATOM 1354 CE2 TYR A 96 -6.012 -0.268 -8.835 1.00 1.00 C ATOM 1355 CZ TYR A 96 -6.900 0.784 -8.932 1.00 1.00 C ATOM 1356 OH TYR A 96 -6.512 1.958 -9.541 1.00 1.00 O ATOM 1357 HA TYR A 96 -7.034 -2.526 -5.210 1.00 0.00 H ATOM 1358 HB3 TYR A 96 -9.151 -3.075 -7.323 1.00 0.00 H ATOM 1359 HB2 TYR A 96 -7.479 -3.677 -7.410 1.00 0.00 H ATOM 1360 HD2 TYR A 96 -5.703 -2.272 -8.150 1.00 0.00 H ATOM 1361 HE2 TYR A 96 -5.004 -0.173 -9.238 1.00 0.00 H ATOM 1362 HE1 TYR A 96 -8.875 1.498 -8.501 1.00 0.00 H ATOM 1363 HD1 TYR A 96 -9.572 -0.600 -7.412 1.00 0.00 H ATOM 1364 HH TYR A 96 -5.739 2.340 -9.056 1.00 0.00 H ATOM 1365 H TYR A 96 -8.305 -4.992 -5.651 1.00 0.00 H ATOM 1366 N ALA A 97 -10.237 -2.346 -4.642 1.00 1.00 N ATOM 1367 CA ALA A 97 -11.296 -1.500 -4.101 1.00 1.00 C ATOM 1368 C ALA A 97 -11.064 -1.176 -2.628 1.00 1.00 C ATOM 1369 O ALA A 97 -11.018 -0.008 -2.242 1.00 1.00 O ATOM 1370 CB ALA A 97 -12.648 -2.171 -4.287 1.00 1.00 C ATOM 1371 HA ALA A 97 -11.283 -0.559 -4.651 1.00 0.00 H ATOM 1372 HB1 ALA A 97 -12.828 -2.335 -5.350 1.00 0.00 H ATOM 1373 HB2 ALA A 97 -12.652 -3.128 -3.765 1.00 0.00 H ATOM 1374 HB3 ALA A 97 -13.430 -1.530 -3.879 1.00 0.00 H ATOM 1375 H ALA A 97 -10.423 -3.359 -4.790 1.00 0.00 H ATOM 1376 N MET A 98 -10.933 -2.213 -1.806 1.00 1.00 N ATOM 1377 CA MET A 98 -10.722 -2.028 -0.374 1.00 1.00 C ATOM 1378 C MET A 98 -9.436 -1.251 -0.094 1.00 1.00 C ATOM 1379 O MET A 98 -9.399 -0.396 0.792 1.00 1.00 O ATOM 1380 CB MET A 98 -10.698 -3.385 0.340 1.00 1.00 C ATOM 1381 CG MET A 98 -9.393 -4.149 0.187 1.00 1.00 C ATOM 1382 SD MET A 98 -9.611 -5.930 0.374 1.00 1.00 S ATOM 1383 CE MET A 98 -7.925 -6.503 0.185 1.00 1.00 C ATOM 1384 HA MET A 98 -11.554 -1.440 0.014 1.00 0.00 H ATOM 1385 HB2 MET A 98 -10.872 -3.215 1.403 1.00 0.00 H ATOM 1386 HB3 MET A 98 -11.503 -3.999 -0.065 1.00 0.00 H ATOM 1387 HG2 MET A 98 -8.692 -3.800 0.946 1.00 0.00 H ATOM 1388 HG3 MET A 98 -8.984 -3.948 -0.803 1.00 0.00 H ATOM 1389 HE1 MET A 98 -7.551 -6.211 -0.796 1.00 0.00 H ATOM 1390 HE2 MET A 98 -7.302 -6.057 0.960 1.00 0.00 H ATOM 1391 HE3 MET A 98 -7.899 -7.589 0.276 1.00 0.00 H ATOM 1392 H MET A 98 -10.982 -3.177 -2.192 1.00 0.00 H ATOM 1393 N ILE A 99 -8.385 -1.548 -0.852 1.00 1.00 N ATOM 1394 CA ILE A 99 -7.107 -0.869 -0.674 1.00 1.00 C ATOM 1395 C ILE A 99 -7.215 0.608 -1.034 1.00 1.00 C ATOM 1396 O ILE A 99 -6.543 1.452 -0.441 1.00 1.00 O ATOM 1397 CB ILE A 99 -5.996 -1.519 -1.522 1.00 1.00 C ATOM 1398 CG1 ILE A 99 -6.360 -1.476 -3.008 1.00 1.00 C ATOM 1399 CG2 ILE A 99 -5.756 -2.952 -1.070 1.00 1.00 C ATOM 1400 CD1 ILE A 99 -5.591 -0.430 -3.787 1.00 1.00 C ATOM 1401 HA ILE A 99 -6.844 -0.964 0.380 1.00 0.00 H ATOM 1402 HB ILE A 99 -5.075 -0.953 -1.380 1.00 0.00 H ATOM 1403 HG12 ILE A 99 -6.152 -2.453 -3.443 1.00 0.00 H ATOM 1404 HG13 ILE A 99 -7.425 -1.260 -3.097 1.00 0.00 H ATOM 1405 HD11 ILE A 99 -5.798 0.556 -3.371 1.00 0.00 H ATOM 1406 HD12 ILE A 99 -4.523 -0.639 -3.717 1.00 0.00 H ATOM 1407 HD13 ILE A 99 -5.900 -0.457 -4.832 1.00 0.00 H ATOM 1408 HG21 ILE A 99 -5.453 -2.955 -0.023 1.00 0.00 H ATOM 1409 HG22 ILE A 99 -6.675 -3.527 -1.186 1.00 0.00 H ATOM 1410 HG23 ILE A 99 -4.969 -3.397 -1.679 1.00 0.00 H ATOM 1411 H ILE A 99 -8.476 -2.279 -1.586 1.00 0.00 H ATOM 1412 N SER A 100 -8.069 0.917 -2.006 1.00 1.00 N ATOM 1413 CA SER A 100 -8.265 2.296 -2.438 1.00 1.00 C ATOM 1414 C SER A 100 -9.019 3.094 -1.378 1.00 1.00 C ATOM 1415 O SER A 100 -8.766 4.283 -1.186 1.00 1.00 O ATOM 1416 CB SER A 100 -9.030 2.334 -3.763 1.00 1.00 C ATOM 1417 OG SER A 100 -9.069 3.647 -4.293 1.00 1.00 O ATOM 1418 HA SER A 100 -7.284 2.750 -2.581 1.00 0.00 H ATOM 1419 HB2 SER A 100 -10.050 1.987 -3.596 1.00 0.00 H ATOM 1420 HB3 SER A 100 -8.537 1.676 -4.478 1.00 0.00 H ATOM 1421 HG SER A 100 -9.521 4.248 -3.649 1.00 0.00 H ATOM 1422 H SER A 100 -8.609 0.158 -2.468 1.00 0.00 H ATOM 1423 N ARG A 101 -9.943 2.430 -0.690 1.00 1.00 N ATOM 1424 CA ARG A 101 -10.731 3.078 0.353 1.00 1.00 C ATOM 1425 C ARG A 101 -9.928 3.221 1.647 1.00 1.00 C ATOM 1426 O ARG A 101 -10.384 3.852 2.600 1.00 1.00 O ATOM 1427 CB ARG A 101 -12.009 2.282 0.623 1.00 1.00 C ATOM 1428 CG ARG A 101 -12.775 1.912 -0.636 1.00 1.00 C ATOM 1429 CD ARG A 101 -13.530 0.604 -0.464 1.00 1.00 C ATOM 1430 NE ARG A 101 -14.848 0.806 0.133 1.00 1.00 N ATOM 1431 CZ ARG A 101 -15.551 -0.157 0.724 1.00 1.00 C ATOM 1432 NH1 ARG A 101 -15.067 -1.391 0.799 1.00 1.00 N ATOM 1433 NH2 ARG A 101 -16.742 0.113 1.242 1.00 1.00 N ATOM 1434 HA ARG A 101 -10.994 4.075 0.001 1.00 0.00 H ATOM 1435 HB2 ARG A 101 -11.739 1.364 1.145 1.00 0.00 H ATOM 1436 HB3 ARG A 101 -12.660 2.881 1.259 1.00 0.00 H ATOM 1437 HG2 ARG A 101 -13.487 2.705 -0.864 1.00 0.00 H ATOM 1438 HG3 ARG A 101 -12.071 1.809 -1.462 1.00 0.00 H ATOM 1439 HD2 ARG A 101 -12.949 -0.056 0.180 1.00 0.00 H ATOM 1440 HD3 ARG A 101 -13.654 0.138 -1.442 1.00 0.00 H ATOM 1441 HE ARG A 101 -15.262 1.759 0.094 1.00 0.00 H ATOM 1442 HH12 ARG A 101 -15.621 -2.140 1.262 1.00 0.00 H ATOM 1443 HH11 ARG A 101 -14.134 -1.609 0.395 1.00 0.00 H ATOM 1444 HH22 ARG A 101 -17.291 -0.640 1.704 1.00 0.00 H ATOM 1445 HH21 ARG A 101 -17.127 1.078 1.186 1.00 0.00 H ATOM 1446 H ARG A 101 -10.108 1.425 -0.900 1.00 0.00 H ATOM 1447 N ASN A 102 -8.735 2.630 1.677 1.00 1.00 N ATOM 1448 CA ASN A 102 -7.881 2.694 2.859 1.00 1.00 C ATOM 1449 C ASN A 102 -6.934 3.894 2.805 1.00 1.00 C ATOM 1450 O ASN A 102 -5.921 3.923 3.504 1.00 1.00 O ATOM 1451 CB ASN A 102 -7.074 1.403 2.993 1.00 1.00 C ATOM 1452 CG ASN A 102 -7.907 0.255 3.528 1.00 1.00 C ATOM 1453 OD1 ASN A 102 -9.011 0.457 4.032 1.00 1.00 O ATOM 1454 ND2 ASN A 102 -7.380 -0.959 3.421 1.00 1.00 N ATOM 1455 HA ASN A 102 -8.527 2.814 3.729 1.00 0.00 H ATOM 1456 HB2 ASN A 102 -6.687 1.128 2.012 1.00 0.00 H ATOM 1457 HB3 ASN A 102 -6.241 1.579 3.674 1.00 0.00 H ATOM 1458 HD22 ASN A 102 -6.443 -1.083 2.987 1.00 0.00 H ATOM 1459 HD21 ASN A 102 -7.904 -1.786 3.771 1.00 0.00 H ATOM 1460 H ASN A 102 -8.404 2.111 0.839 1.00 0.00 H ATOM 1461 N LEU A 103 -7.265 4.881 1.977 1.00 1.00 N ATOM 1462 CA LEU A 103 -6.436 6.076 1.844 1.00 1.00 C ATOM 1463 C LEU A 103 -7.096 7.273 2.523 1.00 1.00 C ATOM 1464 O LEU A 103 -8.152 7.737 2.093 1.00 1.00 O ATOM 1465 CB LEU A 103 -6.186 6.388 0.366 1.00 1.00 C ATOM 1466 CG LEU A 103 -6.028 5.164 -0.540 1.00 1.00 C ATOM 1467 CD1 LEU A 103 -6.318 5.530 -1.987 1.00 1.00 C ATOM 1468 CD2 LEU A 103 -4.631 4.579 -0.403 1.00 1.00 C ATOM 1469 HA LEU A 103 -5.482 5.882 2.334 1.00 0.00 H ATOM 1470 HB2 LEU A 103 -7.028 6.974 -0.002 1.00 0.00 H ATOM 1471 HB3 LEU A 103 -5.274 6.980 0.296 1.00 0.00 H ATOM 1472 HG LEU A 103 -6.749 4.408 -0.229 1.00 0.00 H ATOM 1473 HD21 LEU A 103 -3.894 5.330 -0.689 1.00 0.00 H ATOM 1474 HD22 LEU A 103 -4.464 4.279 0.632 1.00 0.00 H ATOM 1475 HD23 LEU A 103 -4.537 3.710 -1.054 1.00 0.00 H ATOM 1476 HD11 LEU A 103 -7.339 5.902 -2.069 1.00 0.00 H ATOM 1477 HD12 LEU A 103 -5.622 6.303 -2.311 1.00 0.00 H ATOM 1478 HD13 LEU A 103 -6.200 4.647 -2.615 1.00 0.00 H ATOM 1479 H LEU A 103 -8.134 4.800 1.411 1.00 0.00 H ATOM 1480 N VAL A 104 -6.471 7.769 3.589 1.00 1.00 N ATOM 1481 CA VAL A 104 -7.010 8.912 4.322 1.00 1.00 C ATOM 1482 C VAL A 104 -6.974 10.184 3.475 1.00 1.00 C ATOM 1483 O VAL A 104 -8.019 10.714 3.098 1.00 1.00 O ATOM 1484 CB VAL A 104 -6.268 9.163 5.658 1.00 1.00 C ATOM 1485 CG1 VAL A 104 -6.902 8.348 6.775 1.00 1.00 C ATOM 1486 CG2 VAL A 104 -4.781 8.847 5.547 1.00 1.00 C ATOM 1487 HA VAL A 104 -8.045 8.660 4.551 1.00 0.00 H ATOM 1488 HB VAL A 104 -6.361 10.223 5.894 1.00 0.00 H ATOM 1489 HG11 VAL A 104 -7.947 8.639 6.887 1.00 0.00 H ATOM 1490 HG12 VAL A 104 -6.843 7.288 6.528 1.00 0.00 H ATOM 1491 HG13 VAL A 104 -6.369 8.535 7.707 1.00 0.00 H ATOM 1492 HG21 VAL A 104 -4.653 7.799 5.275 1.00 0.00 H ATOM 1493 HG22 VAL A 104 -4.333 9.480 4.781 1.00 0.00 H ATOM 1494 HG23 VAL A 104 -4.298 9.037 6.506 1.00 0.00 H ATOM 1495 H VAL A 104 -5.581 7.334 3.906 1.00 0.00 H ATOM 1496 N SER A 105 -5.772 10.668 3.175 1.00 1.00 N ATOM 1497 CA SER A 105 -5.614 11.874 2.370 1.00 1.00 C ATOM 1498 C SER A 105 -5.101 11.531 0.975 1.00 1.00 C ATOM 1499 O SER A 105 -4.279 10.630 0.810 1.00 1.00 O ATOM 1500 CB SER A 105 -4.655 12.849 3.056 1.00 1.00 C ATOM 1501 OG SER A 105 -3.305 12.522 2.777 1.00 1.00 O ATOM 1502 HA SER A 105 -6.591 12.348 2.272 1.00 0.00 H ATOM 1503 HB2 SER A 105 -4.816 12.808 4.133 1.00 0.00 H ATOM 1504 HB3 SER A 105 -4.858 13.858 2.698 1.00 0.00 H ATOM 1505 HG SER A 105 -3.152 12.563 1.800 1.00 0.00 H ATOM 1506 H SER A 105 -4.925 10.175 3.523 1.00 0.00 H ATOM 1507 N ALA A 106 -5.592 12.254 -0.027 1.00 1.00 N ATOM 1508 CA ALA A 106 -5.182 12.023 -1.408 1.00 1.00 C ATOM 1509 C ALA A 106 -4.391 13.207 -1.953 1.00 1.00 C ATOM 1510 O ALA A 106 -4.868 14.342 -1.943 1.00 1.00 O ATOM 1511 CB ALA A 106 -6.399 11.753 -2.280 1.00 1.00 C ATOM 1512 HA ALA A 106 -4.532 11.148 -1.426 1.00 0.00 H ATOM 1513 HB1 ALA A 106 -6.921 10.870 -1.910 1.00 0.00 H ATOM 1514 HB2 ALA A 106 -7.067 12.613 -2.245 1.00 0.00 H ATOM 1515 HB3 ALA A 106 -6.078 11.583 -3.307 1.00 0.00 H ATOM 1516 H ALA A 106 -6.285 13.002 0.179 1.00 0.00 H ATOM 1517 N ASN A 107 -3.180 12.936 -2.429 1.00 1.00 N ATOM 1518 CA ASN A 107 -2.324 13.981 -2.980 1.00 1.00 C ATOM 1519 C ASN A 107 -2.369 13.972 -4.505 1.00 1.00 C ATOM 1520 O ASN A 107 -2.357 12.912 -5.131 1.00 1.00 O ATOM 1521 CB ASN A 107 -0.884 13.797 -2.497 1.00 1.00 C ATOM 1522 CG ASN A 107 -0.290 15.080 -1.948 1.00 1.00 C ATOM 1523 OD1 ASN A 107 -0.109 16.055 -2.677 1.00 1.00 O ATOM 1524 ND2 ASN A 107 0.016 15.084 -0.656 1.00 1.00 N ATOM 1525 HA ASN A 107 -2.696 14.944 -2.630 1.00 0.00 H ATOM 1526 HB2 ASN A 107 -0.872 13.041 -1.712 1.00 0.00 H ATOM 1527 HB3 ASN A 107 -0.274 13.459 -3.335 1.00 0.00 H ATOM 1528 HD22 ASN A 107 -0.155 14.236 -0.079 1.00 0.00 H ATOM 1529 HD21 ASN A 107 0.426 15.935 -0.221 1.00 0.00 H ATOM 1530 H ASN A 107 -2.834 11.955 -2.408 1.00 0.00 H ATOM 1531 N VAL A 108 -2.421 15.161 -5.097 1.00 1.00 N ATOM 1532 CA VAL A 108 -2.467 15.290 -6.549 1.00 1.00 C ATOM 1533 C VAL A 108 -1.357 16.207 -7.057 1.00 1.00 C ATOM 1534 O VAL A 108 -0.811 17.014 -6.304 1.00 1.00 O ATOM 1535 CB VAL A 108 -3.839 15.816 -7.027 1.00 1.00 C ATOM 1536 CG1 VAL A 108 -3.911 17.333 -6.928 1.00 1.00 C ATOM 1537 CG2 VAL A 108 -4.116 15.356 -8.450 1.00 1.00 C ATOM 1538 HA VAL A 108 -2.316 14.293 -6.962 1.00 0.00 H ATOM 1539 HB VAL A 108 -4.607 15.403 -6.373 1.00 0.00 H ATOM 1540 HG11 VAL A 108 -3.764 17.636 -5.891 1.00 0.00 H ATOM 1541 HG12 VAL A 108 -3.132 17.774 -7.551 1.00 0.00 H ATOM 1542 HG13 VAL A 108 -4.888 17.672 -7.271 1.00 0.00 H ATOM 1543 HG21 VAL A 108 -3.338 15.738 -9.112 1.00 0.00 H ATOM 1544 HG22 VAL A 108 -4.121 14.267 -8.484 1.00 0.00 H ATOM 1545 HG23 VAL A 108 -5.086 15.735 -8.771 1.00 0.00 H ATOM 1546 H VAL A 108 -2.429 16.020 -4.511 1.00 0.00 H ATOM 1547 N LYS A 109 -1.032 16.078 -8.338 1.00 1.00 N ATOM 1548 CA LYS A 109 0.010 16.894 -8.950 1.00 1.00 C ATOM 1549 C LYS A 109 -0.469 18.328 -9.150 1.00 1.00 C ATOM 1550 O LYS A 109 -1.239 18.613 -10.067 1.00 1.00 O ATOM 1551 CB LYS A 109 0.433 16.295 -10.292 1.00 1.00 C ATOM 1552 CG LYS A 109 1.491 15.210 -10.168 1.00 1.00 C ATOM 1553 CD LYS A 109 2.631 15.424 -11.153 1.00 1.00 C ATOM 1554 CE LYS A 109 3.055 14.120 -11.811 1.00 1.00 C ATOM 1555 NZ LYS A 109 2.582 14.029 -13.220 1.00 1.00 N ATOM 1556 HA LYS A 109 0.868 16.907 -8.278 1.00 0.00 H ATOM 1557 HB2 LYS A 109 -0.447 15.865 -10.771 1.00 0.00 H ATOM 1558 HB3 LYS A 109 0.831 17.095 -10.917 1.00 0.00 H ATOM 1559 HG2 LYS A 109 1.892 15.221 -9.155 1.00 0.00 H ATOM 1560 HG3 LYS A 109 1.030 14.242 -10.365 1.00 0.00 H ATOM 1561 HD2 LYS A 109 2.305 16.121 -11.925 1.00 0.00 H ATOM 1562 HD3 LYS A 109 3.484 15.846 -10.621 1.00 0.00 H ATOM 1563 HE2 LYS A 109 2.638 13.287 -11.245 1.00 0.00 H ATOM 1564 HE3 LYS A 109 4.143 14.057 -11.800 1.00 0.00 H ATOM 1565 HZ1 LYS A 109 1.544 14.082 -13.240 1.00 0.00 H ATOM 1566 HZ2 LYS A 109 2.981 14.817 -13.770 1.00 0.00 H ATOM 1567 HZ3 LYS A 109 2.892 13.125 -13.631 1.00 0.00 H ATOM 1568 H LYS A 109 -1.534 15.377 -8.920 1.00 0.00 H ATOM 1569 N GLU A 110 -0.008 19.227 -8.286 1.00 1.00 N ATOM 1570 CA GLU A 110 -0.390 20.632 -8.369 1.00 1.00 C ATOM 1571 C GLU A 110 0.728 21.531 -7.849 1.00 1.00 C ATOM 1572 O GLU A 110 1.685 21.056 -7.238 1.00 1.00 O ATOM 1573 CB GLU A 110 -1.675 20.881 -7.575 1.00 1.00 C ATOM 1574 CG GLU A 110 -2.922 20.947 -8.442 1.00 1.00 C ATOM 1575 CD GLU A 110 -3.405 22.367 -8.660 1.00 1.00 C ATOM 1576 OE1 GLU A 110 -3.738 23.041 -7.662 1.00 1.00 O ATOM 1577 OE2 GLU A 110 -3.452 22.806 -9.828 1.00 1.00 O ATOM 1578 HA GLU A 110 -0.568 20.874 -9.417 1.00 0.00 H ATOM 1579 HB2 GLU A 110 -1.798 20.072 -6.855 1.00 0.00 H ATOM 1580 HB3 GLU A 110 -1.574 21.827 -7.043 1.00 0.00 H ATOM 1581 HG2 GLU A 110 -2.698 20.501 -9.411 1.00 0.00 H ATOM 1582 HG3 GLU A 110 -3.715 20.379 -7.957 1.00 0.00 H ATOM 1583 H GLU A 110 0.641 18.921 -7.533 1.00 0.00 H ATOM 1584 N SER A 111 0.599 22.830 -8.096 1.00 1.00 N ATOM 1585 CA SER A 111 1.598 23.796 -7.652 1.00 1.00 C ATOM 1586 C SER A 111 1.479 24.052 -6.153 1.00 1.00 C ATOM 1587 O SER A 111 0.575 24.756 -5.704 1.00 1.00 O ATOM 1588 CB SER A 111 1.444 25.110 -8.420 1.00 1.00 C ATOM 1589 OG SER A 111 0.106 25.574 -8.374 1.00 1.00 O ATOM 1590 HA SER A 111 2.585 23.379 -7.854 1.00 0.00 H ATOM 1591 HB2 SER A 111 1.730 24.951 -9.460 1.00 0.00 H ATOM 1592 HB3 SER A 111 2.097 25.861 -7.976 1.00 0.00 H ATOM 1593 HG SER A 111 -0.158 25.725 -7.432 1.00 0.00 H ATOM 1594 H SER A 111 -0.235 23.167 -8.619 1.00 0.00 H ATOM 1595 N SER A 112 2.397 23.476 -5.384 1.00 1.00 N ATOM 1596 CA SER A 112 2.395 23.642 -3.936 1.00 1.00 C ATOM 1597 C SER A 112 3.724 24.214 -3.451 1.00 1.00 C ATOM 1598 O SER A 112 4.713 23.492 -3.327 1.00 1.00 O ATOM 1599 CB SER A 112 2.122 22.303 -3.248 1.00 1.00 C ATOM 1600 OG SER A 112 0.737 22.127 -3.004 1.00 1.00 O ATOM 1601 HA SER A 112 1.602 24.344 -3.678 1.00 0.00 H ATOM 1602 HB2 SER A 112 2.657 22.275 -2.299 1.00 0.00 H ATOM 1603 HB3 SER A 112 2.476 21.495 -3.888 1.00 0.00 H ATOM 1604 HG SER A 112 0.590 21.255 -2.559 1.00 0.00 H ATOM 1605 H SER A 112 3.135 22.892 -5.826 1.00 0.00 H ATOM 1606 N GLU A 113 3.739 25.515 -3.180 1.00 1.00 N ATOM 1607 CA GLU A 113 4.946 26.183 -2.708 1.00 1.00 C ATOM 1608 C GLU A 113 5.119 25.996 -1.205 1.00 1.00 C ATOM 1609 O GLU A 113 4.145 26.008 -0.452 1.00 1.00 O ATOM 1610 CB GLU A 113 4.894 27.674 -3.046 1.00 1.00 C ATOM 1611 CG GLU A 113 3.597 28.348 -2.627 1.00 1.00 C ATOM 1612 CD GLU A 113 3.789 29.807 -2.264 1.00 1.00 C ATOM 1613 OE1 GLU A 113 4.596 30.484 -2.935 1.00 1.00 O ATOM 1614 OE2 GLU A 113 3.133 30.273 -1.309 1.00 1.00 O ATOM 1615 HA GLU A 113 5.801 25.733 -3.212 1.00 0.00 H ATOM 1616 HB2 GLU A 113 5.721 28.172 -2.539 1.00 0.00 H ATOM 1617 HB3 GLU A 113 5.009 27.788 -4.124 1.00 0.00 H ATOM 1618 HG2 GLU A 113 2.887 28.284 -3.452 1.00 0.00 H ATOM 1619 HG3 GLU A 113 3.194 27.823 -1.761 1.00 0.00 H ATOM 1620 H GLU A 113 2.869 26.070 -3.308 1.00 0.00 H ATOM 1621 N ASP A 114 6.365 25.825 -0.774 1.00 1.00 N ATOM 1622 CA ASP A 114 6.665 25.635 0.640 1.00 1.00 C ATOM 1623 C ASP A 114 6.967 26.969 1.316 1.00 1.00 C ATOM 1624 O ASP A 114 7.493 27.889 0.690 1.00 1.00 O ATOM 1625 CB ASP A 114 7.851 24.685 0.809 1.00 1.00 C ATOM 1626 CG ASP A 114 7.709 23.792 2.026 1.00 1.00 C ATOM 1627 OD1 ASP A 114 6.946 24.158 2.945 1.00 1.00 O ATOM 1628 OD2 ASP A 114 8.360 22.727 2.061 1.00 1.00 O ATOM 1629 HA ASP A 114 5.788 25.197 1.116 1.00 0.00 H ATOM 1630 HB2 ASP A 114 7.926 24.057 -0.079 1.00 0.00 H ATOM 1631 HB3 ASP A 114 8.761 25.276 0.913 1.00 0.00 H ATOM 1632 H ASP A 114 7.145 25.827 -1.462 1.00 0.00 H ATOM 1633 N ILE A 115 6.642 27.061 2.602 1.00 1.00 N ATOM 1634 CA ILE A 115 6.888 28.265 3.367 1.00 1.00 C ATOM 1635 C ILE A 115 7.981 28.020 4.392 1.00 1.00 C ATOM 1636 O ILE A 115 7.752 27.414 5.439 1.00 1.00 O ATOM 1637 CB ILE A 115 5.616 28.747 4.090 1.00 1.00 C ATOM 1638 CG1 ILE A 115 4.429 28.766 3.124 1.00 1.00 C ATOM 1639 CG2 ILE A 115 5.838 30.126 4.692 1.00 1.00 C ATOM 1640 CD1 ILE A 115 3.099 29.001 3.806 1.00 1.00 C ATOM 1641 HA ILE A 115 7.202 29.039 2.666 1.00 0.00 H ATOM 1642 HB ILE A 115 5.391 28.051 4.899 1.00 0.00 H ATOM 1643 HG12 ILE A 115 4.589 29.561 2.396 1.00 0.00 H ATOM 1644 HG13 ILE A 115 4.388 27.806 2.609 1.00 0.00 H ATOM 1645 HD11 ILE A 115 2.918 28.207 4.530 1.00 0.00 H ATOM 1646 HD12 ILE A 115 3.119 29.963 4.318 1.00 0.00 H ATOM 1647 HD13 ILE A 115 2.305 29.002 3.060 1.00 0.00 H ATOM 1648 HG21 ILE A 115 6.658 30.081 5.408 1.00 0.00 H ATOM 1649 HG22 ILE A 115 6.085 30.832 3.899 1.00 0.00 H ATOM 1650 HG23 ILE A 115 4.929 30.450 5.199 1.00 0.00 H ATOM 1651 H ILE A 115 6.199 26.245 3.071 1.00 0.00 H ATOM 1652 N PHE A 116 9.166 28.498 4.074 1.00 1.00 N ATOM 1653 CA PHE A 116 10.321 28.345 4.952 1.00 1.00 C ATOM 1654 C PHE A 116 10.634 29.649 5.685 1.00 1.00 C ATOM 1655 O PHE A 116 11.739 29.832 6.197 1.00 1.00 O ATOM 1656 CB PHE A 116 11.541 27.893 4.145 1.00 1.00 C ATOM 1657 CG PHE A 116 12.191 26.651 4.685 1.00 1.00 C ATOM 1658 CD1 PHE A 116 12.843 26.669 5.907 1.00 1.00 C ATOM 1659 CD2 PHE A 116 12.148 25.465 3.970 1.00 1.00 C ATOM 1660 CE1 PHE A 116 13.441 25.528 6.406 1.00 1.00 C ATOM 1661 CE2 PHE A 116 12.745 24.320 4.463 1.00 1.00 C ATOM 1662 CZ PHE A 116 13.392 24.352 5.684 1.00 1.00 C ATOM 1663 HA PHE A 116 10.080 27.586 5.696 1.00 0.00 H ATOM 1664 HB2 PHE A 116 11.224 27.699 3.120 1.00 0.00 H ATOM 1665 HB3 PHE A 116 12.276 28.698 4.151 1.00 0.00 H ATOM 1666 HD2 PHE A 116 11.637 25.435 3.007 1.00 0.00 H ATOM 1667 HE2 PHE A 116 12.706 23.394 3.890 1.00 0.00 H ATOM 1668 HZ PHE A 116 13.863 23.451 6.076 1.00 0.00 H ATOM 1669 HE1 PHE A 116 13.951 25.556 7.369 1.00 0.00 H ATOM 1670 HD1 PHE A 116 12.885 27.594 6.482 1.00 0.00 H ATOM 1671 H PHE A 116 9.282 28.999 3.170 1.00 0.00 H ATOM 1672 N GLY A 117 9.658 30.551 5.736 1.00 1.00 N ATOM 1673 CA GLY A 117 9.856 31.820 6.411 1.00 1.00 C ATOM 1674 C GLY A 117 11.030 32.602 5.853 1.00 1.00 C ATOM 1675 O GLY A 117 11.635 33.412 6.555 1.00 1.00 O ATOM 1676 HA3 GLY A 117 10.035 31.629 7.469 1.00 0.00 H ATOM 1677 HA2 GLY A 117 8.953 32.419 6.300 1.00 0.00 H ATOM 1678 H GLY A 117 8.743 30.344 5.287 1.00 0.00 H ATOM 1679 N ASN A 118 11.353 32.359 4.587 1.00 1.00 N ATOM 1680 CA ASN A 118 12.463 33.046 3.936 1.00 1.00 C ATOM 1681 C ASN A 118 11.966 33.909 2.780 1.00 1.00 C ATOM 1682 O ASN A 118 11.369 33.406 1.828 1.00 1.00 O ATOM 1683 CB ASN A 118 13.492 32.031 3.430 1.00 1.00 C ATOM 1684 CG ASN A 118 14.811 32.127 4.171 1.00 1.00 C ATOM 1685 OD1 ASN A 118 15.878 32.175 3.559 1.00 1.00 O ATOM 1686 ND2 ASN A 118 14.745 32.155 5.497 1.00 1.00 N ATOM 1687 HA ASN A 118 12.938 33.696 4.671 1.00 0.00 H ATOM 1688 HB2 ASN A 118 13.088 31.027 3.562 1.00 0.00 H ATOM 1689 HB3 ASN A 118 13.671 32.213 2.370 1.00 0.00 H ATOM 1690 HD22 ASN A 118 13.821 32.112 5.973 1.00 0.00 H ATOM 1691 HD21 ASN A 118 15.617 32.220 6.060 1.00 0.00 H ATOM 1692 H ASN A 118 10.801 31.662 4.047 1.00 0.00 H ATOM 1693 N VAL A 119 12.217 35.211 2.870 1.00 1.00 N ATOM 1694 CA VAL A 119 11.796 36.144 1.832 1.00 1.00 C ATOM 1695 C VAL A 119 12.910 37.127 1.492 1.00 1.00 C ATOM 1696 O VAL A 119 14.026 37.016 2.000 1.00 1.00 O ATOM 1697 CB VAL A 119 10.544 36.933 2.260 1.00 1.00 C ATOM 1698 CG1 VAL A 119 9.313 36.041 2.230 1.00 1.00 C ATOM 1699 CG2 VAL A 119 10.741 37.537 3.642 1.00 1.00 C ATOM 1700 HA VAL A 119 11.558 35.549 0.950 1.00 0.00 H ATOM 1701 HB VAL A 119 10.390 37.747 1.551 1.00 0.00 H ATOM 1702 HG11 VAL A 119 9.164 35.663 1.218 1.00 0.00 H ATOM 1703 HG12 VAL A 119 9.455 35.205 2.914 1.00 0.00 H ATOM 1704 HG13 VAL A 119 8.440 36.618 2.536 1.00 0.00 H ATOM 1705 HG21 VAL A 119 10.921 36.740 4.363 1.00 0.00 H ATOM 1706 HG22 VAL A 119 11.596 38.212 3.623 1.00 0.00 H ATOM 1707 HG23 VAL A 119 9.846 38.090 3.926 1.00 0.00 H ATOM 1708 H VAL A 119 12.726 35.573 3.701 1.00 0.00 H TER 1709 VAL A 119 HETATM 1710 C1 IMY A 1 0.644 -11.196 -5.444 1.00 0.10 C HETATM 1711 N2 IMY A 1 1.424 -10.467 -4.657 1.00 -0.35 N HETATM 1712 C3 IMY A 1 0.976 -9.042 -4.724 1.00 0.06 C HETATM 1713 C4 IMY A 1 0.306 -9.046 -6.142 1.00 0.09 C HETATM 1714 N5 IMY A 1 -0.099 -10.451 -6.261 1.00 -0.28 N HETATM 1715 H3 IMY A 1 -0.842 -10.806 -6.880 1.00 0.19 H HETATM 1716 C19 IMY A 1 -0.813 -8.100 -6.512 1.00 -0.01 C HETATM 1717 C20 IMY A 1 -0.506 -6.776 -6.877 1.00 -0.06 C HETATM 1718 C21 IMY A 1 -1.512 -5.868 -7.205 1.00 -0.05 C HETATM 1719 C22 IMY A 1 -2.844 -6.260 -7.147 1.00 0.03 C HETATM 1720 C23 IMY A 1 -3.176 -7.554 -6.766 1.00 -0.05 C HETATM 1721 C24 IMY A 1 -2.167 -8.479 -6.494 1.00 -0.06 C HETATM 1722 H11 IMY A 1 -2.431 -9.505 -6.265 1.00 0.06 H HETATM 1723 H10 IMY A 1 -4.217 -7.845 -6.680 1.00 0.06 H HETATM 1724 CL22 IMY A 1 -4.087 -5.149 -7.554 1.00 -0.08 CL HETATM 1725 H9 IMY A 1 -1.256 -4.858 -7.505 1.00 0.06 H HETATM 1726 H8 IMY A 1 0.530 -6.457 -6.904 1.00 0.06 H HETATM 1727 H2 IMY A 1 1.103 -8.839 -6.872 1.00 0.08 H HETATM 1728 C13 IMY A 1 0.045 -8.667 -3.581 1.00 -0.03 C HETATM 1729 C14 IMY A 1 -0.162 -7.310 -3.283 1.00 -0.06 C HETATM 1730 C15 IMY A 1 -1.092 -6.920 -2.314 1.00 -0.05 C HETATM 1731 C16 IMY A 1 -1.844 -7.873 -1.648 1.00 0.03 C HETATM 1732 C17 IMY A 1 -1.623 -9.217 -1.897 1.00 -0.05 C HETATM 1733 C18 IMY A 1 -0.687 -9.619 -2.848 1.00 -0.06 C HETATM 1734 H7 IMY A 1 -0.521 -10.676 -3.025 1.00 0.06 H HETATM 1735 H6 IMY A 1 -2.184 -9.964 -1.347 1.00 0.06 H HETATM 1736 CL16 IMY A 1 -3.040 -7.396 -0.513 1.00 -0.08 CL HETATM 1737 H5 IMY A 1 -1.224 -5.869 -2.084 1.00 0.06 H HETATM 1738 H4 IMY A 1 0.407 -6.554 -3.812 1.00 0.06 H HETATM 1739 H1 IMY A 1 1.835 -8.356 -4.704 1.00 0.06 H HETATM 1740 C34 IMY A 1 0.493 -12.659 -5.520 1.00 0.06 C HETATM 1741 C29 IMY A 1 0.960 -13.557 -4.536 1.00 0.11 C HETATM 1742 C28 IMY A 1 0.643 -14.925 -4.643 1.00 0.01 C HETATM 1743 C27 IMY A 1 -0.126 -15.406 -5.702 1.00 0.09 C HETATM 1744 C26 IMY A 1 -0.578 -14.528 -6.686 1.00 -0.03 C HETATM 1745 C25 IMY A 1 -0.270 -13.174 -6.594 1.00 -0.05 C HETATM 1746 H13 IMY A 1 -0.623 -12.498 -7.364 1.00 0.06 H HETATM 1747 H14 IMY A 1 -1.166 -14.898 -7.518 1.00 0.05 H HETATM 1748 O2 IMY A 1 -0.406 -16.763 -5.650 1.00 -0.32 O HETATM 1749 C30 IMY A 1 -0.874 -17.361 -6.865 1.00 0.06 C HETATM 1750 H22 IMY A 1 -1.060 -18.432 -6.698 1.00 0.06 H HETATM 1751 H23 IMY A 1 -0.114 -17.239 -7.651 1.00 0.06 H HETATM 1752 H24 IMY A 1 -1.808 -16.871 -7.179 1.00 0.06 H HETATM 1753 H12 IMY A 1 1.003 -15.616 -3.889 1.00 0.05 H HETATM 1754 O3 IMY A 1 1.706 -13.023 -3.489 1.00 -0.31 O HETATM 1755 C31 IMY A 1 1.823 -13.769 -2.252 1.00 0.08 C HETATM 1756 C32 IMY A 1 2.336 -12.877 -1.120 1.00 -0.03 C HETATM 1757 H16 IMY A 1 2.415 -13.467 -0.195 1.00 0.03 H HETATM 1758 H17 IMY A 1 1.636 -12.043 -0.964 1.00 0.03 H HETATM 1759 H18 IMY A 1 3.326 -12.479 -1.387 1.00 0.03 H HETATM 1760 C33 IMY A 1 0.427 -14.271 -1.901 1.00 -0.03 C HETATM 1761 H19 IMY A 1 0.469 -14.846 -0.964 1.00 0.03 H HETATM 1762 H20 IMY A 1 0.055 -14.916 -2.711 1.00 0.03 H HETATM 1763 H21 IMY A 1 -0.250 -13.413 -1.775 1.00 0.03 H HETATM 1764 H15 IMY A 1 2.510 -14.617 -2.390 1.00 0.07 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1710 1711 1714 1740 CONECT 1711 1710 1712 CONECT 1712 1711 1713 1728 1739 CONECT 1713 1712 1714 1716 1727 CONECT 1714 1710 1713 1715 CONECT 1715 1714 CONECT 1716 1713 1717 1721 CONECT 1717 1716 1718 1726 CONECT 1718 1717 1719 1725 CONECT 1719 1718 1720 1724 CONECT 1720 1719 1721 1723 CONECT 1721 1716 1720 1722 CONECT 1722 1721 CONECT 1723 1720 CONECT 1724 1719 CONECT 1725 1718 CONECT 1726 1717 CONECT 1727 1713 CONECT 1728 1712 1729 1733 CONECT 1729 1728 1730 1738 CONECT 1730 1729 1731 1737 CONECT 1731 1730 1732 1736 CONECT 1732 1731 1733 1735 CONECT 1733 1728 1732 1734 CONECT 1734 1733 CONECT 1735 1732 CONECT 1736 1731 CONECT 1737 1730 CONECT 1738 1729 CONECT 1739 1712 CONECT 1740 1710 1741 1745 CONECT 1741 1740 1742 1754 CONECT 1742 1741 1743 1753 CONECT 1743 1742 1744 1748 CONECT 1744 1743 1745 1747 CONECT 1745 1740 1744 1746 CONECT 1746 1745 CONECT 1747 1744 CONECT 1748 1743 1749 CONECT 1749 1748 1750 1751 1752 CONECT 1750 1749 CONECT 1751 1749 CONECT 1752 1749 CONECT 1753 1742 CONECT 1754 1741 1755 CONECT 1755 1754 1756 1760 1764 CONECT 1756 1755 1757 1758 1759 CONECT 1757 1756 CONECT 1758 1756 CONECT 1759 1756 CONECT 1760 1755 1761 1762 1763 CONECT 1761 1760 CONECT 1762 1760 CONECT 1763 1760 CONECT 1764 1755 MASTER 0 0 0 0 0 0 0 0 1763 1 59 9 END
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Structure:
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Related entries of code: 1ttv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
85aa, >4IPF_1|Chain... at 100%
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PDBbind
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PDBbind
86aa, >4J74_1|Chain... at 98%
4j7d
RCSB PDB
PDBbind
86aa, >4J7D_1|Chain... at 98%
4j7e
RCSB PDB
PDBbind
86aa, >4J7E_1|Chain... at 98%
4jrg
RCSB PDB
PDBbind
85aa, >4JRG_1|Chains... at 100%
4jsc
RCSB PDB
PDBbind
86aa, >4JSC_1|Chains... at 98%
4lwt
RCSB PDB
PDBbind
86aa, >4LWT_1|Chain... at 98%
4lwu
RCSB PDB
PDBbind
85aa, >4LWU_1|Chain... at 100%
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RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1ttv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ubiquitin-protein ligase e3 mdm2
Ligand Name
IMY
EC.Number
E.C.6.3.2.0
Resolution
NMR
Affinity (Kd/Ki/IC50)
IC50=160nM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
J.Biomol.Nmr v30 pp. 163-73, 2004
Ligand Properties
Formula
C
2
5
H
2
4
Cl
2
N
2
O
2
Molecular Weight
455.376
Exact Mass
454.121
No. of atoms
55
No. of bonds
58
Polar Surface Area
42.85
LOGP Value
6.10 (
Computed with XLOGP3
)
6.39 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
COc1ccc(c(c1)OC(C)C)C1=N[C@@H]([C@@H](N1)c1ccc(cc1)Cl)c1ccc(cc1)Cl
InChI String
InChI=1S/C25H24Cl2N2O2/c1-15(2)31-22-14-20(30-3)12-13-21(22)25-28-23(16-4-8-18(26)9-5-16)24(29-25)17-6-10-19(27)11-7-17/h4-15,23-24H,1-3H3,(H,28,29)/t23-,24+
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):
P56273
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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