Browse entries in the PDBbind-CN Database
HEADER 5WCL_COMPLEX COMPND 5WCL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 120 MET ASP ASP ILE TYR LYS ALA ALA VAL GLU GLN LEU THR SEQRES 2 A 120 GLU GLU GLN LYS ASN GLU PHE LYS ALA ALA PHE ASP ILE SEQRES 3 A 120 PHE VAL LEU GLY ALA GLU ASP GLY SER ILE SER THR LYS SEQRES 4 A 120 GLU LEU GLY LYS VAL MET ARG MET LEU GLY GLN ASN PRO SEQRES 5 A 120 THR PRO GLU GLU LEU GLN GLU MET ILE ASP GLU VAL ASP SEQRES 6 A 120 GLU ASP GLY SER GLY THR VAL ASP PHE ASP GLU PHE LEU SEQRES 7 A 120 VAL MET MET VAL ARG SER MET LYS ASP ASP SER LYS GLY SEQRES 8 A 120 LYS PHE LYS ARG PRO THR LEU ARG ARG VAL ARG ILE SER SEQRES 9 A 120 ALA ASP ALA MET MET GLN ALA LEU LEU GLY ALA ARG ALA SEQRES 10 A 120 LYS GLY HIS HET UNN A 121 27 ATOM 1 N MET A 1 9.669 -1.030 -7.255 1.00 0.00 N ATOM 2 CA MET A 1 8.813 -2.177 -6.890 1.00 0.00 C ATOM 3 C MET A 1 9.682 -3.332 -6.428 1.00 0.00 C ATOM 4 O MET A 1 10.453 -3.880 -7.212 1.00 0.00 O ATOM 5 CB MET A 1 7.930 -2.595 -8.080 1.00 0.00 C ATOM 6 CG MET A 1 7.048 -3.811 -7.804 1.00 0.00 C ATOM 7 SD MET A 1 5.610 -3.894 -8.889 1.00 0.00 S ATOM 8 CE MET A 1 4.467 -4.848 -7.883 1.00 0.00 C ATOM 9 HN3 MET A 1 10.312 -1.309 -8.023 1.00 0.00 H ATOM 10 HN2 MET A 1 10.225 -0.736 -6.426 1.00 0.00 H ATOM 11 HN1 MET A 1 9.071 -0.240 -7.571 1.00 0.00 H ATOM 12 N ASP A 2 9.572 -3.677 -5.148 1.00 0.00 N ATOM 13 CA ASP A 2 10.342 -4.779 -4.582 1.00 0.00 C ATOM 14 C ASP A 2 9.992 -6.050 -5.302 1.00 0.00 C ATOM 15 O ASP A 2 8.905 -6.572 -5.117 1.00 0.00 O ATOM 16 CB ASP A 2 10.028 -4.985 -3.101 1.00 0.00 C ATOM 17 CG ASP A 2 9.949 -3.698 -2.308 1.00 0.00 C ATOM 18 OD1 ASP A 2 10.876 -3.425 -1.523 1.00 0.00 O ATOM 19 OD2 ASP A 2 8.959 -2.955 -2.464 1.00 0.00 O ATOM 20 H ASP A 2 8.920 -3.147 -4.535 1.00 0.00 H ATOM 21 N ASP A 3 10.900 -6.560 -6.109 1.00 0.00 N ATOM 22 CA ASP A 3 10.609 -7.757 -6.866 1.00 0.00 C ATOM 23 C ASP A 3 10.587 -8.969 -5.956 1.00 0.00 C ATOM 24 O ASP A 3 10.033 -10.008 -6.306 1.00 0.00 O ATOM 25 CB ASP A 3 11.589 -7.955 -8.006 1.00 0.00 C ATOM 26 CG ASP A 3 12.978 -8.335 -7.540 1.00 0.00 C ATOM 27 OD1 ASP A 3 13.278 -9.545 -7.482 1.00 0.00 O ATOM 28 OD2 ASP A 3 13.774 -7.425 -7.236 1.00 0.00 O ATOM 29 H ASP A 3 11.828 -6.100 -6.202 1.00 0.00 H ATOM 30 N ILE A 4 11.182 -8.828 -4.778 1.00 0.00 N ATOM 31 CA ILE A 4 11.080 -9.855 -3.759 1.00 0.00 C ATOM 32 C ILE A 4 9.615 -10.009 -3.349 1.00 0.00 C ATOM 33 O ILE A 4 9.071 -11.109 -3.321 1.00 0.00 O ATOM 34 CB ILE A 4 11.981 -9.530 -2.531 1.00 0.00 C ATOM 35 CG1 ILE A 4 11.873 -10.603 -1.418 1.00 0.00 C ATOM 36 CG2 ILE A 4 11.666 -8.147 -2.001 1.00 0.00 C ATOM 37 CD1 ILE A 4 10.678 -10.462 -0.490 1.00 0.00 C ATOM 38 H ILE A 4 11.731 -7.966 -4.582 1.00 0.00 H ATOM 39 N TYR A 5 8.976 -8.887 -3.077 1.00 0.00 N ATOM 40 CA TYR A 5 7.582 -8.869 -2.699 1.00 0.00 C ATOM 41 C TYR A 5 6.710 -9.032 -3.923 1.00 0.00 C ATOM 42 O TYR A 5 5.575 -9.493 -3.843 1.00 0.00 O ATOM 43 CB TYR A 5 7.254 -7.564 -1.990 1.00 0.00 C ATOM 44 CG TYR A 5 7.901 -7.451 -0.636 1.00 0.00 C ATOM 45 CD1 TYR A 5 8.746 -6.399 -0.306 1.00 0.00 C ATOM 46 CD2 TYR A 5 7.648 -8.409 0.320 1.00 0.00 C ATOM 47 CE1 TYR A 5 9.317 -6.316 0.947 1.00 0.00 C ATOM 48 CE2 TYR A 5 8.209 -8.337 1.568 1.00 0.00 C ATOM 49 CZ TYR A 5 9.046 -7.288 1.883 1.00 0.00 C ATOM 50 OH TYR A 5 9.613 -7.210 3.137 1.00 0.00 O ATOM 51 HH TYR A 5 10.181 -6.401 3.191 1.00 0.00 H ATOM 52 H TYR A 5 9.493 -7.986 -3.137 1.00 0.00 H ATOM 53 N LYS A 6 7.258 -8.613 -5.051 1.00 0.00 N ATOM 54 CA LYS A 6 6.603 -8.728 -6.343 1.00 0.00 C ATOM 55 C LYS A 6 6.414 -10.209 -6.657 1.00 0.00 C ATOM 56 O LYS A 6 5.484 -10.596 -7.355 1.00 0.00 O ATOM 57 CB LYS A 6 7.479 -8.039 -7.384 1.00 0.00 C ATOM 58 CG LYS A 6 6.776 -7.588 -8.643 1.00 0.00 C ATOM 59 CD LYS A 6 7.768 -6.946 -9.601 1.00 0.00 C ATOM 60 CE LYS A 6 8.669 -7.977 -10.261 1.00 0.00 C ATOM 61 NZ LYS A 6 7.910 -8.939 -11.102 1.00 0.00 N ATOM 62 HZ1 LYS A 6 7.221 -9.446 -10.511 1.00 0.00 H ATOM 63 HZ2 LYS A 6 7.410 -8.422 -11.853 1.00 0.00 H ATOM 64 HZ3 LYS A 6 8.570 -9.620 -11.529 1.00 0.00 H ATOM 65 H LYS A 6 8.203 -8.180 -5.012 1.00 0.00 H ATOM 66 N ALA A 7 7.343 -11.012 -6.137 1.00 0.00 N ATOM 67 CA ALA A 7 7.234 -12.469 -6.116 1.00 0.00 C ATOM 68 C ALA A 7 6.339 -12.937 -4.999 1.00 0.00 C ATOM 69 O ALA A 7 5.752 -14.006 -5.075 1.00 0.00 O ATOM 70 CB ALA A 7 8.586 -13.084 -5.886 1.00 0.00 C ATOM 71 H ALA A 7 8.192 -10.577 -5.723 1.00 0.00 H ATOM 72 N ALA A 8 6.282 -12.164 -3.939 1.00 0.00 N ATOM 73 CA ALA A 8 5.550 -12.570 -2.766 1.00 0.00 C ATOM 74 C ALA A 8 4.057 -12.529 -3.008 1.00 0.00 C ATOM 75 O ALA A 8 3.316 -13.261 -2.385 1.00 0.00 O ATOM 76 CB ALA A 8 5.913 -11.743 -1.577 1.00 0.00 C ATOM 77 H ALA A 8 6.772 -11.247 -3.946 1.00 0.00 H ATOM 78 N VAL A 9 3.619 -11.665 -3.912 1.00 0.00 N ATOM 79 CA VAL A 9 2.235 -11.695 -4.383 1.00 0.00 C ATOM 80 C VAL A 9 2.038 -12.927 -5.245 1.00 0.00 C ATOM 81 O VAL A 9 0.970 -13.536 -5.254 1.00 0.00 O ATOM 82 CB VAL A 9 1.858 -10.417 -5.187 1.00 0.00 C ATOM 83 CG1 VAL A 9 3.095 -9.746 -5.724 1.00 0.00 C ATOM 84 CG2 VAL A 9 0.938 -10.732 -6.353 1.00 0.00 C ATOM 85 H VAL A 9 4.272 -10.952 -4.294 1.00 0.00 H ATOM 86 N GLU A 10 3.103 -13.312 -5.936 1.00 0.00 N ATOM 87 CA GLU A 10 3.081 -14.520 -6.733 1.00 0.00 C ATOM 88 C GLU A 10 3.075 -15.714 -5.787 1.00 0.00 C ATOM 89 O GLU A 10 2.736 -16.843 -6.140 1.00 0.00 O ATOM 90 CB GLU A 10 4.288 -14.583 -7.658 1.00 0.00 C ATOM 91 CG GLU A 10 4.699 -13.233 -8.141 1.00 0.00 C ATOM 92 CD GLU A 10 5.690 -13.280 -9.280 1.00 0.00 C ATOM 93 OE1 GLU A 10 6.903 -13.340 -9.020 1.00 0.00 O ATOM 94 OE2 GLU A 10 5.250 -13.258 -10.451 1.00 0.00 O ATOM 95 H GLU A 10 3.968 -12.736 -5.905 1.00 0.00 H ATOM 96 N GLN A 11 3.462 -15.393 -4.565 1.00 0.00 N ATOM 97 CA GLN A 11 3.631 -16.316 -3.468 1.00 0.00 C ATOM 98 C GLN A 11 2.402 -16.284 -2.539 1.00 0.00 C ATOM 99 O GLN A 11 2.148 -17.234 -1.802 1.00 0.00 O ATOM 100 CB GLN A 11 4.904 -15.901 -2.746 1.00 0.00 C ATOM 101 CG GLN A 11 5.186 -16.627 -1.476 1.00 0.00 C ATOM 102 CD GLN A 11 5.294 -18.136 -1.634 1.00 0.00 C ATOM 103 OE1 GLN A 11 6.373 -18.665 -1.895 1.00 0.00 O ATOM 104 NE2 GLN A 11 4.187 -18.840 -1.472 1.00 0.00 N ATOM 105 HE22 GLN A 11 3.292 -18.358 -1.252 1.00 0.00 H ATOM 106 HE21 GLN A 11 4.211 -19.876 -1.565 1.00 0.00 H ATOM 107 H GLN A 11 3.662 -14.390 -4.378 1.00 0.00 H ATOM 108 N LEU A 12 1.627 -15.199 -2.582 1.00 0.00 N ATOM 109 CA LEU A 12 0.428 -15.096 -1.763 1.00 0.00 C ATOM 110 C LEU A 12 -0.641 -16.021 -2.309 1.00 0.00 C ATOM 111 O LEU A 12 -0.664 -16.323 -3.505 1.00 0.00 O ATOM 112 CB LEU A 12 -0.127 -13.665 -1.704 1.00 0.00 C ATOM 113 CG LEU A 12 0.793 -12.588 -1.151 1.00 0.00 C ATOM 114 CD1 LEU A 12 0.258 -11.218 -1.546 1.00 0.00 C ATOM 115 CD2 LEU A 12 0.873 -12.731 0.362 1.00 0.00 C ATOM 116 H LEU A 12 1.884 -14.413 -3.212 1.00 0.00 H ATOM 117 N THR A 13 -1.507 -16.488 -1.432 1.00 0.00 N ATOM 118 CA THR A 13 -2.625 -17.298 -1.851 1.00 0.00 C ATOM 119 C THR A 13 -3.648 -16.440 -2.572 1.00 0.00 C ATOM 120 O THR A 13 -3.537 -15.208 -2.582 1.00 0.00 O ATOM 121 CB THR A 13 -3.304 -17.995 -0.657 1.00 0.00 C ATOM 122 OG1 THR A 13 -3.828 -17.033 0.253 1.00 0.00 O ATOM 123 CG2 THR A 13 -2.322 -18.886 0.080 1.00 0.00 C ATOM 124 HG1 THR A 13 -4.260 -17.499 1.012 1.00 0.00 H ATOM 125 H THR A 13 -1.383 -16.269 -0.423 1.00 0.00 H ATOM 126 N GLU A 14 -4.628 -17.079 -3.171 1.00 0.00 N ATOM 127 CA GLU A 14 -5.699 -16.371 -3.832 1.00 0.00 C ATOM 128 C GLU A 14 -6.360 -15.391 -2.869 1.00 0.00 C ATOM 129 O GLU A 14 -6.447 -14.192 -3.145 1.00 0.00 O ATOM 130 CB GLU A 14 -6.709 -17.368 -4.380 1.00 0.00 C ATOM 131 CG GLU A 14 -8.091 -16.806 -4.489 1.00 0.00 C ATOM 132 CD GLU A 14 -8.986 -17.620 -5.389 1.00 0.00 C ATOM 133 OE1 GLU A 14 -9.276 -17.161 -6.510 1.00 0.00 O ATOM 134 OE2 GLU A 14 -9.388 -18.734 -4.992 1.00 0.00 O ATOM 135 H GLU A 14 -4.632 -18.119 -3.169 1.00 0.00 H ATOM 136 N GLU A 15 -6.803 -15.920 -1.737 1.00 0.00 N ATOM 137 CA GLU A 15 -7.401 -15.112 -0.672 1.00 0.00 C ATOM 138 C GLU A 15 -6.505 -13.938 -0.298 1.00 0.00 C ATOM 139 O GLU A 15 -6.995 -12.831 -0.068 1.00 0.00 O ATOM 140 CB GLU A 15 -7.672 -15.942 0.595 1.00 0.00 C ATOM 141 CG GLU A 15 -8.342 -17.285 0.345 1.00 0.00 C ATOM 142 CD GLU A 15 -7.361 -18.366 -0.065 1.00 0.00 C ATOM 143 OE1 GLU A 15 -7.179 -18.580 -1.279 1.00 0.00 O ATOM 144 OE2 GLU A 15 -6.764 -18.999 0.830 1.00 0.00 O ATOM 145 H GLU A 15 -6.723 -16.948 -1.600 1.00 0.00 H ATOM 146 N GLN A 16 -5.200 -14.185 -0.239 1.00 0.00 N ATOM 147 CA GLN A 16 -4.247 -13.164 0.138 1.00 0.00 C ATOM 148 C GLN A 16 -4.360 -11.935 -0.734 1.00 0.00 C ATOM 149 O GLN A 16 -4.621 -10.842 -0.246 1.00 0.00 O ATOM 150 CB GLN A 16 -2.846 -13.745 0.136 1.00 0.00 C ATOM 151 CG GLN A 16 -2.655 -14.692 1.284 1.00 0.00 C ATOM 152 CD GLN A 16 -3.280 -14.188 2.566 1.00 0.00 C ATOM 153 OE1 GLN A 16 -4.401 -14.566 2.896 1.00 0.00 O ATOM 154 NE2 GLN A 16 -2.608 -13.289 3.260 1.00 0.00 N ATOM 155 HE22 GLN A 16 -1.661 -12.994 2.949 1.00 0.00 H ATOM 156 HE21 GLN A 16 -3.026 -12.876 4.118 1.00 0.00 H ATOM 157 H GLN A 16 -4.855 -15.138 -0.470 1.00 0.00 H ATOM 158 N LYS A 17 -4.241 -12.120 -2.017 1.00 0.00 N ATOM 159 CA LYS A 17 -4.258 -11.011 -2.932 1.00 0.00 C ATOM 160 C LYS A 17 -5.677 -10.445 -3.072 1.00 0.00 C ATOM 161 O LYS A 17 -5.857 -9.250 -3.293 1.00 0.00 O ATOM 162 CB LYS A 17 -3.716 -11.490 -4.266 1.00 0.00 C ATOM 163 CG LYS A 17 -2.425 -12.277 -4.130 1.00 0.00 C ATOM 164 CD LYS A 17 -2.176 -13.080 -5.378 1.00 0.00 C ATOM 165 CE LYS A 17 -2.350 -12.202 -6.594 1.00 0.00 C ATOM 166 NZ LYS A 17 -2.339 -12.992 -7.854 1.00 0.00 N ATOM 167 HZ1 LYS A 17 -1.431 -13.493 -7.940 1.00 0.00 H ATOM 168 HZ2 LYS A 17 -3.117 -13.682 -7.836 1.00 0.00 H ATOM 169 HZ3 LYS A 17 -2.461 -12.352 -8.664 1.00 0.00 H ATOM 170 H LYS A 17 -4.132 -13.086 -2.386 1.00 0.00 H ATOM 171 N ASN A 18 -6.671 -11.311 -2.902 1.00 0.00 N ATOM 172 CA ASN A 18 -8.081 -10.928 -3.012 1.00 0.00 C ATOM 173 C ASN A 18 -8.443 -9.894 -1.946 1.00 0.00 C ATOM 174 O ASN A 18 -9.072 -8.874 -2.236 1.00 0.00 O ATOM 175 CB ASN A 18 -8.963 -12.180 -2.852 1.00 0.00 C ATOM 176 CG ASN A 18 -10.410 -11.951 -3.248 1.00 0.00 C ATOM 177 OD1 ASN A 18 -10.945 -10.852 -3.118 1.00 0.00 O ATOM 178 ND2 ASN A 18 -11.054 -13.001 -3.740 1.00 0.00 N ATOM 179 HD22 ASN A 18 -10.565 -13.914 -3.834 1.00 0.00 H ATOM 180 HD21 ASN A 18 -12.048 -12.911 -4.032 1.00 0.00 H ATOM 181 H ASN A 18 -6.438 -12.301 -2.682 1.00 0.00 H ATOM 182 N GLU A 19 -8.029 -10.162 -0.718 1.00 0.00 N ATOM 183 CA GLU A 19 -8.291 -9.269 0.400 1.00 0.00 C ATOM 184 C GLU A 19 -7.653 -7.917 0.160 1.00 0.00 C ATOM 185 O GLU A 19 -8.299 -6.867 0.234 1.00 0.00 O ATOM 186 CB GLU A 19 -7.739 -9.871 1.680 1.00 0.00 C ATOM 187 CG GLU A 19 -8.318 -9.250 2.924 1.00 0.00 C ATOM 188 CD GLU A 19 -8.200 -10.154 4.125 1.00 0.00 C ATOM 189 OE1 GLU A 19 -9.082 -11.015 4.302 1.00 0.00 O ATOM 190 OE2 GLU A 19 -7.238 -10.004 4.903 1.00 0.00 O ATOM 191 H GLU A 19 -7.499 -11.040 -0.547 1.00 0.00 H ATOM 192 N PHE A 20 -6.376 -7.979 -0.137 1.00 0.00 N ATOM 193 CA PHE A 20 -5.560 -6.802 -0.341 1.00 0.00 C ATOM 194 C PHE A 20 -6.119 -5.917 -1.443 1.00 0.00 C ATOM 195 O PHE A 20 -6.092 -4.697 -1.332 1.00 0.00 O ATOM 196 CB PHE A 20 -4.139 -7.211 -0.699 1.00 0.00 C ATOM 197 CG PHE A 20 -3.488 -8.146 0.290 1.00 0.00 C ATOM 198 CD1 PHE A 20 -4.048 -8.400 1.529 1.00 0.00 C ATOM 199 CD2 PHE A 20 -2.334 -8.810 -0.053 1.00 0.00 C ATOM 200 CE1 PHE A 20 -3.467 -9.313 2.394 1.00 0.00 C ATOM 201 CE2 PHE A 20 -1.738 -9.704 0.800 1.00 0.00 C ATOM 202 CZ PHE A 20 -2.305 -9.969 2.025 1.00 0.00 C ATOM 203 H PHE A 20 -5.932 -8.915 -0.230 1.00 0.00 H ATOM 204 N LYS A 21 -6.598 -6.546 -2.510 1.00 0.00 N ATOM 205 CA LYS A 21 -7.260 -5.847 -3.604 1.00 0.00 C ATOM 206 C LYS A 21 -8.315 -4.908 -3.064 1.00 0.00 C ATOM 207 O LYS A 21 -8.346 -3.735 -3.425 1.00 0.00 O ATOM 208 CB LYS A 21 -7.926 -6.859 -4.529 1.00 0.00 C ATOM 209 CG LYS A 21 -8.263 -6.358 -5.938 1.00 0.00 C ATOM 210 CD LYS A 21 -8.856 -4.961 -6.010 1.00 0.00 C ATOM 211 CE LYS A 21 -10.311 -4.956 -5.570 1.00 0.00 C ATOM 212 NZ LYS A 21 -11.074 -6.120 -6.105 1.00 0.00 N ATOM 213 HZ1 LYS A 21 -11.053 -6.098 -7.145 1.00 0.00 H ATOM 214 HZ2 LYS A 21 -10.640 -7.002 -5.767 1.00 0.00 H ATOM 215 HZ3 LYS A 21 -12.059 -6.068 -5.775 1.00 0.00 H ATOM 216 H LYS A 21 -6.497 -7.579 -2.567 1.00 0.00 H ATOM 217 N ALA A 22 -9.186 -5.436 -2.219 1.00 0.00 N ATOM 218 CA ALA A 22 -10.294 -4.666 -1.700 1.00 0.00 C ATOM 219 C ALA A 22 -9.811 -3.337 -1.141 1.00 0.00 C ATOM 220 O ALA A 22 -10.368 -2.288 -1.444 1.00 0.00 O ATOM 221 CB ALA A 22 -11.027 -5.449 -0.632 1.00 0.00 C ATOM 222 H ALA A 22 -9.071 -6.426 -1.922 1.00 0.00 H ATOM 223 N ALA A 23 -8.734 -3.389 -0.366 1.00 0.00 N ATOM 224 CA ALA A 23 -8.172 -2.195 0.239 1.00 0.00 C ATOM 225 C ALA A 23 -7.759 -1.194 -0.837 1.00 0.00 C ATOM 226 O ALA A 23 -8.007 -0.007 -0.701 1.00 0.00 O ATOM 227 CB ALA A 23 -6.995 -2.560 1.133 1.00 0.00 C ATOM 228 H ALA A 23 -8.282 -4.308 -0.188 1.00 0.00 H ATOM 229 N PHE A 24 -7.161 -1.687 -1.914 1.00 0.00 N ATOM 230 CA PHE A 24 -6.847 -0.857 -3.076 1.00 0.00 C ATOM 231 C PHE A 24 -8.094 -0.151 -3.578 1.00 0.00 C ATOM 232 O PHE A 24 -8.163 1.069 -3.672 1.00 0.00 O ATOM 233 CB PHE A 24 -6.328 -1.734 -4.201 1.00 0.00 C ATOM 234 CG PHE A 24 -6.164 -1.022 -5.518 1.00 0.00 C ATOM 235 CD1 PHE A 24 -6.757 -1.534 -6.657 1.00 0.00 C ATOM 236 CD2 PHE A 24 -5.445 0.158 -5.619 1.00 0.00 C ATOM 237 CE1 PHE A 24 -6.635 -0.891 -7.869 1.00 0.00 C ATOM 238 CE2 PHE A 24 -5.319 0.804 -6.829 1.00 0.00 C ATOM 239 CZ PHE A 24 -5.916 0.279 -7.955 1.00 0.00 C ATOM 240 H PHE A 24 -6.908 -2.696 -1.932 1.00 0.00 H ATOM 241 N ASP A 25 -9.049 -0.979 -3.922 1.00 0.00 N ATOM 242 CA ASP A 25 -10.349 -0.553 -4.456 1.00 0.00 C ATOM 243 C ASP A 25 -11.049 0.493 -3.580 1.00 0.00 C ATOM 244 O ASP A 25 -11.725 1.393 -4.076 1.00 0.00 O ATOM 245 CB ASP A 25 -11.261 -1.759 -4.585 1.00 0.00 C ATOM 246 CG ASP A 25 -12.420 -1.486 -5.516 1.00 0.00 C ATOM 247 OD1 ASP A 25 -12.259 -1.672 -6.739 1.00 0.00 O ATOM 248 OD2 ASP A 25 -13.493 -1.090 -5.033 1.00 0.00 O ATOM 249 H ASP A 25 -8.876 -1.998 -3.810 1.00 0.00 H ATOM 250 N ILE A 26 -10.902 0.360 -2.282 1.00 0.00 N ATOM 251 CA ILE A 26 -11.547 1.250 -1.333 1.00 0.00 C ATOM 252 C ILE A 26 -10.642 2.442 -1.044 1.00 0.00 C ATOM 253 O ILE A 26 -11.082 3.508 -0.623 1.00 0.00 O ATOM 254 CB ILE A 26 -11.835 0.471 -0.059 1.00 0.00 C ATOM 255 CG1 ILE A 26 -12.682 -0.740 -0.407 1.00 0.00 C ATOM 256 CG2 ILE A 26 -12.529 1.324 0.978 1.00 0.00 C ATOM 257 CD1 ILE A 26 -12.623 -1.876 0.586 1.00 0.00 C ATOM 258 H ILE A 26 -10.303 -0.410 -1.921 1.00 0.00 H ATOM 259 N PHE A 27 -9.363 2.234 -1.273 1.00 0.00 N ATOM 260 CA PHE A 27 -8.396 3.312 -1.274 1.00 0.00 C ATOM 261 C PHE A 27 -8.749 4.292 -2.378 1.00 0.00 C ATOM 262 O PHE A 27 -8.427 5.476 -2.322 1.00 0.00 O ATOM 263 CB PHE A 27 -7.013 2.744 -1.540 1.00 0.00 C ATOM 264 CG PHE A 27 -6.070 2.845 -0.402 1.00 0.00 C ATOM 265 CD1 PHE A 27 -5.240 3.942 -0.265 1.00 0.00 C ATOM 266 CD2 PHE A 27 -6.011 1.840 0.520 1.00 0.00 C ATOM 267 CE1 PHE A 27 -4.365 4.022 0.790 1.00 0.00 C ATOM 268 CE2 PHE A 27 -5.141 1.914 1.574 1.00 0.00 C ATOM 269 CZ PHE A 27 -4.319 3.003 1.710 1.00 0.00 C ATOM 270 H PHE A 27 -9.036 1.264 -1.459 1.00 0.00 H ATOM 271 N VAL A 28 -9.427 3.768 -3.383 1.00 0.00 N ATOM 272 CA VAL A 28 -9.794 4.550 -4.549 1.00 0.00 C ATOM 273 C VAL A 28 -11.301 4.759 -4.638 1.00 0.00 C ATOM 274 O VAL A 28 -11.850 4.847 -5.735 1.00 0.00 O ATOM 275 CB VAL A 28 -9.288 3.909 -5.857 1.00 0.00 C ATOM 276 CG1 VAL A 28 -7.779 3.952 -5.915 1.00 0.00 C ATOM 277 CG2 VAL A 28 -9.779 2.483 -5.979 1.00 0.00 C ATOM 278 H VAL A 28 -9.706 2.767 -3.337 1.00 0.00 H ATOM 279 N LEU A 29 -11.962 4.825 -3.485 1.00 0.00 N ATOM 280 CA LEU A 29 -13.416 4.997 -3.448 1.00 0.00 C ATOM 281 C LEU A 29 -13.845 6.228 -4.242 1.00 0.00 C ATOM 282 O LEU A 29 -13.523 7.358 -3.883 1.00 0.00 O ATOM 283 CB LEU A 29 -13.912 5.109 -1.997 1.00 0.00 C ATOM 284 CG LEU A 29 -13.875 3.813 -1.187 1.00 0.00 C ATOM 285 CD1 LEU A 29 -14.230 4.071 0.273 1.00 0.00 C ATOM 286 CD2 LEU A 29 -14.815 2.777 -1.786 1.00 0.00 C ATOM 287 H LEU A 29 -11.435 4.753 -2.591 1.00 0.00 H ATOM 288 N GLY A 30 -14.575 5.989 -5.317 1.00 0.00 N ATOM 289 CA GLY A 30 -15.057 7.070 -6.148 1.00 0.00 C ATOM 290 C GLY A 30 -13.992 7.661 -7.063 1.00 0.00 C ATOM 291 O GLY A 30 -14.225 8.692 -7.691 1.00 0.00 O ATOM 292 H GLY A 30 -14.807 5.007 -5.570 1.00 0.00 H ATOM 293 N ALA A 31 -12.828 7.016 -7.151 1.00 0.00 N ATOM 294 CA ALA A 31 -11.756 7.493 -8.027 1.00 0.00 C ATOM 295 C ALA A 31 -12.137 7.306 -9.483 1.00 0.00 C ATOM 296 O ALA A 31 -12.703 6.281 -9.864 1.00 0.00 O ATOM 297 CB ALA A 31 -10.448 6.763 -7.742 1.00 0.00 C ATOM 298 H ALA A 31 -12.679 6.156 -6.586 1.00 0.00 H ATOM 299 N GLU A 32 -11.824 8.305 -10.294 1.00 0.00 N ATOM 300 CA GLU A 32 -12.100 8.246 -11.717 1.00 0.00 C ATOM 301 C GLU A 32 -11.245 7.188 -12.400 1.00 0.00 C ATOM 302 O GLU A 32 -11.751 6.389 -13.184 1.00 0.00 O ATOM 303 CB GLU A 32 -11.860 9.601 -12.367 1.00 0.00 C ATOM 304 CG GLU A 32 -12.885 10.642 -11.967 1.00 0.00 C ATOM 305 CD GLU A 32 -14.275 10.297 -12.456 1.00 0.00 C ATOM 306 OE1 GLU A 32 -15.145 9.981 -11.618 1.00 0.00 O ATOM 307 OE2 GLU A 32 -14.504 10.333 -13.682 1.00 0.00 O ATOM 308 H GLU A 32 -11.369 9.153 -9.901 1.00 0.00 H ATOM 309 N ASP A 33 -9.947 7.168 -12.097 1.00 0.00 N ATOM 310 CA ASP A 33 -9.060 6.200 -12.729 1.00 0.00 C ATOM 311 C ASP A 33 -8.994 4.914 -11.915 1.00 0.00 C ATOM 312 O ASP A 33 -8.623 3.857 -12.422 1.00 0.00 O ATOM 313 CB ASP A 33 -7.652 6.761 -12.900 1.00 0.00 C ATOM 314 CG ASP A 33 -6.828 5.928 -13.861 1.00 0.00 C ATOM 315 OD1 ASP A 33 -6.941 6.146 -15.083 1.00 0.00 O ATOM 316 OD2 ASP A 33 -6.072 5.046 -13.403 1.00 0.00 O ATOM 317 H ASP A 33 -9.566 7.846 -11.407 1.00 0.00 H ATOM 318 N GLY A 34 -9.377 5.016 -10.649 1.00 0.00 N ATOM 319 CA GLY A 34 -9.416 3.854 -9.784 1.00 0.00 C ATOM 320 C GLY A 34 -8.036 3.369 -9.413 1.00 0.00 C ATOM 321 O GLY A 34 -7.866 2.247 -8.955 1.00 0.00 O ATOM 322 H GLY A 34 -9.654 5.945 -10.271 1.00 0.00 H ATOM 323 N SER A 35 -7.053 4.214 -9.642 1.00 0.00 N ATOM 324 CA SER A 35 -5.705 3.968 -9.185 1.00 0.00 C ATOM 325 C SER A 35 -5.436 4.943 -8.047 1.00 0.00 C ATOM 326 O SER A 35 -5.973 6.052 -8.043 1.00 0.00 O ATOM 327 CB SER A 35 -4.697 4.145 -10.327 1.00 0.00 C ATOM 328 OG SER A 35 -4.990 5.304 -11.089 1.00 0.00 O ATOM 329 HG SER A 35 -5.898 5.222 -11.476 1.00 0.00 H ATOM 330 H SER A 35 -7.254 5.088 -10.169 1.00 0.00 H ATOM 331 N ILE A 36 -4.631 4.533 -7.086 1.00 0.00 N ATOM 332 CA ILE A 36 -4.382 5.335 -5.898 1.00 0.00 C ATOM 333 C ILE A 36 -3.463 6.481 -6.255 1.00 0.00 C ATOM 334 O ILE A 36 -2.288 6.275 -6.542 1.00 0.00 O ATOM 335 CB ILE A 36 -3.710 4.485 -4.780 1.00 0.00 C ATOM 336 CG1 ILE A 36 -4.711 3.533 -4.148 1.00 0.00 C ATOM 337 CG2 ILE A 36 -3.079 5.358 -3.697 1.00 0.00 C ATOM 338 CD1 ILE A 36 -4.063 2.441 -3.332 1.00 0.00 C ATOM 339 H ILE A 36 -4.161 3.610 -7.180 1.00 0.00 H ATOM 340 N SER A 37 -4.010 7.674 -6.294 1.00 0.00 N ATOM 341 CA SER A 37 -3.187 8.847 -6.396 1.00 0.00 C ATOM 342 C SER A 37 -2.768 9.223 -4.993 1.00 0.00 C ATOM 343 O SER A 37 -3.166 8.562 -4.031 1.00 0.00 O ATOM 344 CB SER A 37 -3.932 9.998 -7.069 1.00 0.00 C ATOM 345 OG SER A 37 -4.954 10.516 -6.233 1.00 0.00 O ATOM 346 HG SER A 37 -5.605 9.799 -6.027 1.00 0.00 H ATOM 347 H SER A 37 -5.045 7.770 -6.251 1.00 0.00 H ATOM 348 N THR A 38 -1.998 10.262 -4.853 1.00 0.00 N ATOM 349 CA THR A 38 -1.469 10.598 -3.562 1.00 0.00 C ATOM 350 C THR A 38 -2.549 10.967 -2.570 1.00 0.00 C ATOM 351 O THR A 38 -2.480 10.564 -1.413 1.00 0.00 O ATOM 352 CB THR A 38 -0.417 11.689 -3.670 1.00 0.00 C ATOM 353 OG1 THR A 38 -0.831 12.680 -4.625 1.00 0.00 O ATOM 354 CG2 THR A 38 0.894 11.046 -4.081 1.00 0.00 C ATOM 355 HG1 THR A 38 -0.139 13.385 -4.688 1.00 0.00 H ATOM 356 H THR A 38 -1.765 10.850 -5.678 1.00 0.00 H ATOM 357 N LYS A 39 -3.570 11.686 -2.997 1.00 0.00 N ATOM 358 CA LYS A 39 -4.621 12.016 -2.058 1.00 0.00 C ATOM 359 C LYS A 39 -5.600 10.856 -1.886 1.00 0.00 C ATOM 360 O LYS A 39 -6.221 10.731 -0.836 1.00 0.00 O ATOM 361 CB LYS A 39 -5.334 13.297 -2.405 1.00 0.00 C ATOM 362 CG LYS A 39 -5.911 13.985 -1.181 1.00 0.00 C ATOM 363 CD LYS A 39 -5.059 13.774 0.061 1.00 0.00 C ATOM 364 CE LYS A 39 -5.560 14.602 1.230 1.00 0.00 C ATOM 365 NZ LYS A 39 -5.452 16.064 0.961 1.00 0.00 N ATOM 366 HZ1 LYS A 39 -4.457 16.311 0.789 1.00 0.00 H ATOM 367 HZ2 LYS A 39 -6.020 16.304 0.124 1.00 0.00 H ATOM 368 HZ3 LYS A 39 -5.804 16.594 1.784 1.00 0.00 H ATOM 369 H LYS A 39 -3.618 12.008 -3.985 1.00 0.00 H ATOM 370 N GLU A 40 -5.724 9.997 -2.902 1.00 0.00 N ATOM 371 CA GLU A 40 -6.431 8.725 -2.729 1.00 0.00 C ATOM 372 C GLU A 40 -5.779 7.950 -1.585 1.00 0.00 C ATOM 373 O GLU A 40 -6.447 7.450 -0.679 1.00 0.00 O ATOM 374 CB GLU A 40 -6.384 7.884 -4.014 1.00 0.00 C ATOM 375 CG GLU A 40 -7.559 8.090 -4.967 1.00 0.00 C ATOM 376 CD GLU A 40 -7.818 9.543 -5.322 1.00 0.00 C ATOM 377 OE1 GLU A 40 -8.426 10.267 -4.507 1.00 0.00 O ATOM 378 OE2 GLU A 40 -7.425 9.961 -6.435 1.00 0.00 O ATOM 379 H GLU A 40 -5.313 10.234 -3.828 1.00 0.00 H ATOM 380 N LEU A 41 -4.455 7.892 -1.644 1.00 0.00 N ATOM 381 CA LEU A 41 -3.638 7.293 -0.598 1.00 0.00 C ATOM 382 C LEU A 41 -3.811 8.060 0.723 1.00 0.00 C ATOM 383 O LEU A 41 -4.022 7.464 1.783 1.00 0.00 O ATOM 384 CB LEU A 41 -2.174 7.313 -1.063 1.00 0.00 C ATOM 385 CG LEU A 41 -1.112 6.776 -0.114 1.00 0.00 C ATOM 386 CD1 LEU A 41 -1.404 5.337 0.281 1.00 0.00 C ATOM 387 CD2 LEU A 41 0.249 6.905 -0.792 1.00 0.00 C ATOM 388 H LEU A 41 -3.978 8.293 -2.477 1.00 0.00 H ATOM 389 N GLY A 42 -3.759 9.395 0.626 1.00 0.00 N ATOM 390 CA GLY A 42 -3.862 10.272 1.783 1.00 0.00 C ATOM 391 C GLY A 42 -5.180 10.128 2.512 1.00 0.00 C ATOM 392 O GLY A 42 -5.224 10.205 3.739 1.00 0.00 O ATOM 393 H GLY A 42 -3.640 9.822 -0.315 1.00 0.00 H ATOM 394 N LYS A 43 -6.247 9.942 1.742 1.00 0.00 N ATOM 395 CA LYS A 43 -7.577 9.680 2.275 1.00 0.00 C ATOM 396 C LYS A 43 -7.537 8.606 3.345 1.00 0.00 C ATOM 397 O LYS A 43 -7.957 8.821 4.479 1.00 0.00 O ATOM 398 CB LYS A 43 -8.483 9.228 1.132 1.00 0.00 C ATOM 399 CG LYS A 43 -9.777 8.587 1.582 1.00 0.00 C ATOM 400 CD LYS A 43 -10.121 7.403 0.687 1.00 0.00 C ATOM 401 CE LYS A 43 -11.431 6.734 1.072 1.00 0.00 C ATOM 402 NZ LYS A 43 -12.603 7.604 0.811 1.00 0.00 N ATOM 403 HZ1 LYS A 43 -12.513 8.480 1.364 1.00 0.00 H ATOM 404 HZ2 LYS A 43 -12.643 7.835 -0.202 1.00 0.00 H ATOM 405 HZ3 LYS A 43 -13.472 7.105 1.089 1.00 0.00 H ATOM 406 H LYS A 43 -6.127 9.986 0.710 1.00 0.00 H ATOM 407 N VAL A 44 -7.007 7.458 2.976 1.00 0.00 N ATOM 408 CA VAL A 44 -6.950 6.314 3.868 1.00 0.00 C ATOM 409 C VAL A 44 -6.077 6.590 5.053 1.00 0.00 C ATOM 410 O VAL A 44 -6.378 6.182 6.161 1.00 0.00 O ATOM 411 CB VAL A 44 -6.417 5.076 3.161 1.00 0.00 C ATOM 412 CG1 VAL A 44 -6.074 3.963 4.168 1.00 0.00 C ATOM 413 CG2 VAL A 44 -7.463 4.604 2.185 1.00 0.00 C ATOM 414 H VAL A 44 -6.617 7.368 2.016 1.00 0.00 H ATOM 415 N MET A 45 -4.987 7.263 4.809 1.00 0.00 N ATOM 416 CA MET A 45 -4.084 7.617 5.868 1.00 0.00 C ATOM 417 C MET A 45 -4.828 8.467 6.898 1.00 0.00 C ATOM 418 O MET A 45 -4.737 8.214 8.092 1.00 0.00 O ATOM 419 CB MET A 45 -2.897 8.351 5.280 1.00 0.00 C ATOM 420 CG MET A 45 -2.228 7.578 4.156 1.00 0.00 C ATOM 421 SD MET A 45 -0.768 6.688 4.673 1.00 0.00 S ATOM 422 CE MET A 45 0.250 8.033 5.154 1.00 0.00 C ATOM 423 H MET A 45 -4.768 7.548 3.833 1.00 0.00 H ATOM 424 N ARG A 46 -5.618 9.435 6.432 1.00 0.00 N ATOM 425 CA ARG A 46 -6.440 10.242 7.322 1.00 0.00 C ATOM 426 C ARG A 46 -7.580 9.419 7.914 1.00 0.00 C ATOM 427 O ARG A 46 -8.071 9.715 9.005 1.00 0.00 O ATOM 428 CB ARG A 46 -6.969 11.464 6.592 1.00 0.00 C ATOM 429 CG ARG A 46 -6.041 12.656 6.723 1.00 0.00 C ATOM 430 CD ARG A 46 -4.985 12.621 5.650 1.00 0.00 C ATOM 431 NE ARG A 46 -4.482 13.956 5.330 1.00 0.00 N ATOM 432 CZ ARG A 46 -5.238 14.918 4.795 1.00 0.00 C ATOM 433 NH1 ARG A 46 -6.488 14.656 4.428 1.00 0.00 N ATOM 434 NH2 ARG A 46 -4.736 16.128 4.606 1.00 0.00 N ATOM 435 HE ARG A 46 -3.483 14.167 5.529 1.00 0.00 H ATOM 436 HH12 ARG A 46 -7.076 15.406 4.011 1.00 0.00 H ATOM 437 HH11 ARG A 46 -6.879 13.701 4.557 1.00 0.00 H ATOM 438 HH22 ARG A 46 -5.326 16.876 4.189 1.00 0.00 H ATOM 439 HH21 ARG A 46 -3.752 16.330 4.874 1.00 0.00 H ATOM 440 H ARG A 46 -5.648 9.618 5.409 1.00 0.00 H ATOM 441 N MET A 47 -7.983 8.382 7.188 1.00 0.00 N ATOM 442 CA MET A 47 -8.905 7.381 7.673 1.00 0.00 C ATOM 443 C MET A 47 -8.277 6.596 8.828 1.00 0.00 C ATOM 444 O MET A 47 -8.974 5.953 9.608 1.00 0.00 O ATOM 445 CB MET A 47 -9.235 6.448 6.510 1.00 0.00 C ATOM 446 CG MET A 47 -10.314 6.952 5.570 1.00 0.00 C ATOM 447 SD MET A 47 -10.547 5.882 4.133 1.00 0.00 S ATOM 448 CE MET A 47 -11.130 4.376 4.904 1.00 0.00 C ATOM 449 H MET A 47 -7.616 8.286 6.220 1.00 0.00 H ATOM 450 N LEU A 48 -6.948 6.659 8.921 1.00 0.00 N ATOM 451 CA LEU A 48 -6.195 5.940 9.946 1.00 0.00 C ATOM 452 C LEU A 48 -5.713 6.868 11.052 1.00 0.00 C ATOM 453 O LEU A 48 -5.093 6.423 12.018 1.00 0.00 O ATOM 454 CB LEU A 48 -4.990 5.261 9.324 1.00 0.00 C ATOM 455 CG LEU A 48 -5.307 4.320 8.175 1.00 0.00 C ATOM 456 CD1 LEU A 48 -4.031 3.689 7.660 1.00 0.00 C ATOM 457 CD2 LEU A 48 -6.304 3.262 8.616 1.00 0.00 C ATOM 458 H LEU A 48 -6.427 7.243 8.236 1.00 0.00 H ATOM 459 N GLY A 49 -6.004 8.148 10.924 1.00 0.00 N ATOM 460 CA GLY A 49 -5.497 9.108 11.884 1.00 0.00 C ATOM 461 C GLY A 49 -4.225 9.795 11.418 1.00 0.00 C ATOM 462 O GLY A 49 -3.667 10.634 12.124 1.00 0.00 O ATOM 463 H GLY A 49 -6.598 8.469 10.133 1.00 0.00 H ATOM 464 N GLN A 50 -3.753 9.426 10.239 1.00 0.00 N ATOM 465 CA GLN A 50 -2.612 10.086 9.624 1.00 0.00 C ATOM 466 C GLN A 50 -3.056 11.396 8.992 1.00 0.00 C ATOM 467 O GLN A 50 -4.244 11.621 8.801 1.00 0.00 O ATOM 468 CB GLN A 50 -2.003 9.203 8.534 1.00 0.00 C ATOM 469 CG GLN A 50 -1.470 7.859 9.015 1.00 0.00 C ATOM 470 CD GLN A 50 -0.462 7.974 10.140 1.00 0.00 C ATOM 471 OE1 GLN A 50 0.736 8.128 9.903 1.00 0.00 O ATOM 472 NE2 GLN A 50 -0.933 7.869 11.372 1.00 0.00 N ATOM 473 HE22 GLN A 50 -1.953 7.740 11.530 1.00 0.00 H ATOM 474 HE21 GLN A 50 -0.283 7.916 12.183 1.00 0.00 H ATOM 475 H GLN A 50 -4.212 8.640 9.736 1.00 0.00 H ATOM 476 N ASN A 51 -2.113 12.270 8.708 1.00 0.00 N ATOM 477 CA ASN A 51 -2.381 13.439 7.885 1.00 0.00 C ATOM 478 C ASN A 51 -1.125 13.799 7.074 1.00 0.00 C ATOM 479 O ASN A 51 -0.384 14.730 7.392 1.00 0.00 O ATOM 480 CB ASN A 51 -2.914 14.601 8.728 1.00 0.00 C ATOM 481 CG ASN A 51 -2.895 15.938 8.006 1.00 0.00 C ATOM 482 OD1 ASN A 51 -3.016 16.002 6.782 1.00 0.00 O ATOM 483 ND2 ASN A 51 -2.748 17.018 8.758 1.00 0.00 N ATOM 484 HD22 ASN A 51 -2.649 16.924 9.789 1.00 0.00 H ATOM 485 HD21 ASN A 51 -2.732 17.960 8.318 1.00 0.00 H ATOM 486 H ASN A 51 -1.154 12.121 9.081 1.00 0.00 H ATOM 487 N PRO A 52 -0.854 12.982 6.042 1.00 0.00 N ATOM 488 CA PRO A 52 0.229 13.191 5.072 1.00 0.00 C ATOM 489 C PRO A 52 0.109 14.465 4.281 1.00 0.00 C ATOM 490 O PRO A 52 -0.917 15.153 4.291 1.00 0.00 O ATOM 491 CB PRO A 52 0.050 12.065 4.065 1.00 0.00 C ATOM 492 CG PRO A 52 -1.285 11.477 4.327 1.00 0.00 C ATOM 493 CD PRO A 52 -1.579 11.745 5.757 1.00 0.00 C ATOM 494 N THR A 53 1.173 14.743 3.572 1.00 0.00 N ATOM 495 CA THR A 53 1.128 15.641 2.465 1.00 0.00 C ATOM 496 C THR A 53 1.543 14.895 1.213 1.00 0.00 C ATOM 497 O THR A 53 2.349 13.965 1.305 1.00 0.00 O ATOM 498 CB THR A 53 2.035 16.866 2.672 1.00 0.00 C ATOM 499 OG1 THR A 53 3.342 16.439 3.086 1.00 0.00 O ATOM 500 CG2 THR A 53 1.452 17.815 3.710 1.00 0.00 C ATOM 501 HG1 THR A 53 3.270 15.937 3.936 1.00 0.00 H ATOM 502 H THR A 53 2.078 14.296 3.823 1.00 0.00 H ATOM 503 N PRO A 54 0.962 15.225 0.055 1.00 0.00 N ATOM 504 CA PRO A 54 1.210 14.521 -1.210 1.00 0.00 C ATOM 505 C PRO A 54 2.672 14.111 -1.426 1.00 0.00 C ATOM 506 O PRO A 54 2.940 13.034 -1.942 1.00 0.00 O ATOM 507 CB PRO A 54 0.760 15.530 -2.237 1.00 0.00 C ATOM 508 CG PRO A 54 -0.372 16.205 -1.575 1.00 0.00 C ATOM 509 CD PRO A 54 -0.020 16.301 -0.120 1.00 0.00 C ATOM 510 N GLU A 55 3.601 14.964 -1.003 1.00 0.00 N ATOM 511 CA GLU A 55 5.030 14.682 -1.114 1.00 0.00 C ATOM 512 C GLU A 55 5.389 13.329 -0.512 1.00 0.00 C ATOM 513 O GLU A 55 5.915 12.446 -1.191 1.00 0.00 O ATOM 514 CB GLU A 55 5.776 15.770 -0.368 1.00 0.00 C ATOM 515 CG GLU A 55 5.688 17.098 -1.026 1.00 0.00 C ATOM 516 CD GLU A 55 6.510 18.164 -0.345 1.00 0.00 C ATOM 517 OE1 GLU A 55 7.683 18.352 -0.726 1.00 0.00 O ATOM 518 OE2 GLU A 55 5.984 18.831 0.571 1.00 0.00 O ATOM 519 H GLU A 55 3.299 15.864 -0.578 1.00 0.00 H ATOM 520 N GLU A 56 5.068 13.184 0.759 1.00 0.00 N ATOM 521 CA GLU A 56 5.209 11.943 1.489 1.00 0.00 C ATOM 522 C GLU A 56 4.508 10.797 0.772 1.00 0.00 C ATOM 523 O GLU A 56 5.115 9.788 0.409 1.00 0.00 O ATOM 524 CB GLU A 56 4.542 12.181 2.831 1.00 0.00 C ATOM 525 CG GLU A 56 5.030 13.448 3.496 1.00 0.00 C ATOM 526 CD GLU A 56 4.413 13.665 4.869 1.00 0.00 C ATOM 527 OE1 GLU A 56 3.403 14.399 4.945 1.00 0.00 O ATOM 528 OE2 GLU A 56 4.912 13.107 5.863 1.00 0.00 O ATOM 529 H GLU A 56 4.691 14.010 1.266 1.00 0.00 H ATOM 530 N LEU A 57 3.221 11.005 0.587 1.00 0.00 N ATOM 531 CA LEU A 57 2.332 10.085 -0.133 1.00 0.00 C ATOM 532 C LEU A 57 2.900 9.624 -1.472 1.00 0.00 C ATOM 533 O LEU A 57 2.803 8.447 -1.824 1.00 0.00 O ATOM 534 CB LEU A 57 0.982 10.762 -0.336 1.00 0.00 C ATOM 535 CG LEU A 57 0.231 11.015 0.959 1.00 0.00 C ATOM 536 CD1 LEU A 57 -0.804 12.115 0.789 1.00 0.00 C ATOM 537 CD2 LEU A 57 -0.405 9.721 1.446 1.00 0.00 C ATOM 538 H LEU A 57 2.808 11.877 0.976 1.00 0.00 H ATOM 539 N GLN A 58 3.504 10.536 -2.209 1.00 0.00 N ATOM 540 CA GLN A 58 4.021 10.216 -3.526 1.00 0.00 C ATOM 541 C GLN A 58 5.142 9.209 -3.425 1.00 0.00 C ATOM 542 O GLN A 58 5.201 8.277 -4.203 1.00 0.00 O ATOM 543 CB GLN A 58 4.524 11.457 -4.251 1.00 0.00 C ATOM 544 CG GLN A 58 4.987 11.157 -5.667 1.00 0.00 C ATOM 545 CD GLN A 58 5.483 12.386 -6.390 1.00 0.00 C ATOM 546 OE1 GLN A 58 5.986 13.326 -5.774 1.00 0.00 O ATOM 547 NE2 GLN A 58 5.374 12.375 -7.705 1.00 0.00 N ATOM 548 HE22 GLN A 58 4.942 11.559 -8.184 1.00 0.00 H ATOM 549 HE21 GLN A 58 5.720 13.182 -8.262 1.00 0.00 H ATOM 550 H GLN A 58 3.612 11.502 -1.839 1.00 0.00 H ATOM 551 N GLU A 59 6.023 9.397 -2.457 1.00 0.00 N ATOM 552 CA GLU A 59 7.144 8.497 -2.263 1.00 0.00 C ATOM 553 C GLU A 59 6.672 7.082 -1.959 1.00 0.00 C ATOM 554 O GLU A 59 7.348 6.105 -2.291 1.00 0.00 O ATOM 555 CB GLU A 59 8.007 9.018 -1.150 1.00 0.00 C ATOM 556 CG GLU A 59 8.403 10.465 -1.352 1.00 0.00 C ATOM 557 CD GLU A 59 9.296 10.668 -2.555 1.00 0.00 C ATOM 558 OE1 GLU A 59 10.534 10.594 -2.399 1.00 0.00 O ATOM 559 OE2 GLU A 59 8.771 10.923 -3.655 1.00 0.00 O ATOM 560 H GLU A 59 5.909 10.210 -1.819 1.00 0.00 H ATOM 561 N MET A 60 5.497 6.980 -1.347 1.00 0.00 N ATOM 562 CA MET A 60 4.897 5.684 -1.067 1.00 0.00 C ATOM 563 C MET A 60 4.434 5.045 -2.376 1.00 0.00 C ATOM 564 O MET A 60 4.653 3.865 -2.628 1.00 0.00 O ATOM 565 CB MET A 60 3.717 5.812 -0.111 1.00 0.00 C ATOM 566 CG MET A 60 3.910 6.811 1.023 1.00 0.00 C ATOM 567 SD MET A 60 3.186 6.254 2.574 1.00 0.00 S ATOM 568 CE MET A 60 1.469 6.112 2.099 1.00 0.00 C ATOM 569 H MET A 60 4.995 7.845 -1.062 1.00 0.00 H ATOM 570 N ILE A 61 3.795 5.858 -3.205 1.00 0.00 N ATOM 571 CA ILE A 61 3.328 5.439 -4.522 1.00 0.00 C ATOM 572 C ILE A 61 4.497 5.165 -5.472 1.00 0.00 C ATOM 573 O ILE A 61 4.500 4.180 -6.206 1.00 0.00 O ATOM 574 CB ILE A 61 2.416 6.525 -5.104 1.00 0.00 C ATOM 575 CG1 ILE A 61 1.142 6.567 -4.267 1.00 0.00 C ATOM 576 CG2 ILE A 61 2.106 6.287 -6.581 1.00 0.00 C ATOM 577 CD1 ILE A 61 0.031 7.318 -4.924 1.00 0.00 C ATOM 578 H ILE A 61 3.619 6.838 -2.903 1.00 0.00 H ATOM 579 N ASP A 62 5.496 6.032 -5.402 1.00 0.00 N ATOM 580 CA ASP A 62 6.655 6.023 -6.300 1.00 0.00 C ATOM 581 C ASP A 62 7.359 4.668 -6.343 1.00 0.00 C ATOM 582 O ASP A 62 7.875 4.265 -7.387 1.00 0.00 O ATOM 583 CB ASP A 62 7.648 7.093 -5.839 1.00 0.00 C ATOM 584 CG ASP A 62 8.920 7.119 -6.658 1.00 0.00 C ATOM 585 OD1 ASP A 62 8.871 7.548 -7.830 1.00 0.00 O ATOM 586 OD2 ASP A 62 9.979 6.727 -6.120 1.00 0.00 O ATOM 587 H ASP A 62 5.456 6.764 -4.665 1.00 0.00 H ATOM 588 N GLU A 63 7.383 3.982 -5.203 1.00 0.00 N ATOM 589 CA GLU A 63 8.007 2.667 -5.099 1.00 0.00 C ATOM 590 C GLU A 63 7.539 1.744 -6.212 1.00 0.00 C ATOM 591 O GLU A 63 8.336 1.204 -6.979 1.00 0.00 O ATOM 592 CB GLU A 63 7.672 2.055 -3.761 1.00 0.00 C ATOM 593 CG GLU A 63 8.179 0.634 -3.587 1.00 0.00 C ATOM 594 CD GLU A 63 9.678 0.503 -3.768 1.00 0.00 C ATOM 595 OE1 GLU A 63 10.121 0.061 -4.853 1.00 0.00 O ATOM 596 OE2 GLU A 63 10.419 0.835 -2.823 1.00 0.00 O ATOM 597 H GLU A 63 6.942 4.397 -4.358 1.00 0.00 H ATOM 598 N VAL A 64 6.237 1.582 -6.298 1.00 0.00 N ATOM 599 CA VAL A 64 5.649 0.666 -7.253 1.00 0.00 C ATOM 600 C VAL A 64 5.187 1.373 -8.503 1.00 0.00 C ATOM 601 O VAL A 64 4.779 0.725 -9.464 1.00 0.00 O ATOM 602 CB VAL A 64 4.475 -0.089 -6.648 1.00 0.00 C ATOM 603 CG1 VAL A 64 4.997 -1.145 -5.710 1.00 0.00 C ATOM 604 CG2 VAL A 64 3.549 0.868 -5.921 1.00 0.00 C ATOM 605 H VAL A 64 5.615 2.124 -5.665 1.00 0.00 H ATOM 606 N ASP A 65 5.245 2.696 -8.470 1.00 0.00 N ATOM 607 CA ASP A 65 4.870 3.520 -9.608 1.00 0.00 C ATOM 608 C ASP A 65 5.841 3.297 -10.768 1.00 0.00 C ATOM 609 O ASP A 65 6.749 4.096 -11.009 1.00 0.00 O ATOM 610 CB ASP A 65 4.847 4.991 -9.194 1.00 0.00 C ATOM 611 CG ASP A 65 4.460 5.940 -10.317 1.00 0.00 C ATOM 612 OD1 ASP A 65 3.610 5.571 -11.161 1.00 0.00 O ATOM 613 OD2 ASP A 65 4.990 7.074 -10.348 1.00 0.00 O ATOM 614 H ASP A 65 5.570 3.162 -7.599 1.00 0.00 H ATOM 615 N GLU A 66 5.653 2.193 -11.472 1.00 0.00 N ATOM 616 CA GLU A 66 6.505 1.815 -12.566 1.00 0.00 C ATOM 617 C GLU A 66 6.219 2.642 -13.811 1.00 0.00 C ATOM 618 O GLU A 66 7.114 2.904 -14.612 1.00 0.00 O ATOM 619 CB GLU A 66 6.301 0.351 -12.853 1.00 0.00 C ATOM 620 CG GLU A 66 6.985 -0.550 -11.864 1.00 0.00 C ATOM 621 CD GLU A 66 8.470 -0.279 -11.751 1.00 0.00 C ATOM 622 OE1 GLU A 66 9.225 -0.684 -12.665 1.00 0.00 O ATOM 623 OE2 GLU A 66 8.894 0.327 -10.749 1.00 0.00 O ATOM 624 H GLU A 66 4.856 1.573 -11.224 1.00 0.00 H ATOM 625 N ASP A 67 4.970 3.063 -13.966 1.00 0.00 N ATOM 626 CA ASP A 67 4.567 3.802 -15.156 1.00 0.00 C ATOM 627 C ASP A 67 4.870 5.289 -14.992 1.00 0.00 C ATOM 628 O ASP A 67 4.768 6.071 -15.938 1.00 0.00 O ATOM 629 CB ASP A 67 3.072 3.589 -15.426 1.00 0.00 C ATOM 630 CG ASP A 67 2.599 4.230 -16.717 1.00 0.00 C ATOM 631 OD1 ASP A 67 2.923 3.701 -17.799 1.00 0.00 O ATOM 632 OD2 ASP A 67 1.883 5.249 -16.653 1.00 0.00 O ATOM 633 H ASP A 67 4.267 2.862 -13.226 1.00 0.00 H ATOM 634 N GLY A 68 5.293 5.659 -13.787 1.00 0.00 N ATOM 635 CA GLY A 68 5.588 7.049 -13.492 1.00 0.00 C ATOM 636 C GLY A 68 4.353 7.909 -13.592 1.00 0.00 C ATOM 637 O GLY A 68 4.417 9.071 -13.992 1.00 0.00 O ATOM 638 H GLY A 68 5.414 4.941 -13.044 1.00 0.00 H ATOM 639 N SER A 69 3.225 7.330 -13.217 1.00 0.00 N ATOM 640 CA SER A 69 1.940 7.986 -13.356 1.00 0.00 C ATOM 641 C SER A 69 1.565 8.693 -12.059 1.00 0.00 C ATOM 642 O SER A 69 0.690 9.563 -12.039 1.00 0.00 O ATOM 643 CB SER A 69 0.868 6.954 -13.735 1.00 0.00 C ATOM 644 OG SER A 69 -0.370 7.572 -14.041 1.00 0.00 O ATOM 645 HG SER A 69 -0.689 8.078 -13.252 1.00 0.00 H ATOM 646 H SER A 69 3.261 6.374 -12.809 1.00 0.00 H ATOM 647 N GLY A 70 2.252 8.333 -10.984 1.00 0.00 N ATOM 648 CA GLY A 70 1.939 8.892 -9.688 1.00 0.00 C ATOM 649 C GLY A 70 0.734 8.220 -9.068 1.00 0.00 C ATOM 650 O GLY A 70 0.134 8.750 -8.134 1.00 0.00 O ATOM 651 H GLY A 70 3.024 7.642 -11.074 1.00 0.00 H ATOM 652 N THR A 71 0.375 7.057 -9.603 1.00 0.00 N ATOM 653 CA THR A 71 -0.760 6.301 -9.111 1.00 0.00 C ATOM 654 C THR A 71 -0.411 4.837 -8.970 1.00 0.00 C ATOM 655 O THR A 71 0.231 4.243 -9.834 1.00 0.00 O ATOM 656 CB THR A 71 -1.992 6.389 -10.035 1.00 0.00 C ATOM 657 OG1 THR A 71 -1.633 5.989 -11.362 1.00 0.00 O ATOM 658 CG2 THR A 71 -2.589 7.785 -10.079 1.00 0.00 C ATOM 659 HG1 THR A 71 -1.301 5.056 -11.346 1.00 0.00 H ATOM 660 H THR A 71 0.926 6.678 -10.399 1.00 0.00 H ATOM 661 N VAL A 72 -0.834 4.282 -7.871 1.00 0.00 N ATOM 662 CA VAL A 72 -0.744 2.869 -7.642 1.00 0.00 C ATOM 663 C VAL A 72 -1.996 2.152 -8.121 1.00 0.00 C ATOM 664 O VAL A 72 -3.108 2.547 -7.791 1.00 0.00 O ATOM 665 CB VAL A 72 -0.545 2.616 -6.152 1.00 0.00 C ATOM 666 CG1 VAL A 72 -0.828 1.172 -5.799 1.00 0.00 C ATOM 667 CG2 VAL A 72 0.865 3.032 -5.779 1.00 0.00 C ATOM 668 H VAL A 72 -1.252 4.884 -7.133 1.00 0.00 H ATOM 669 N ASP A 73 -1.810 1.111 -8.908 1.00 0.00 N ATOM 670 CA ASP A 73 -2.906 0.243 -9.282 1.00 0.00 C ATOM 671 C ASP A 73 -2.754 -1.055 -8.496 1.00 0.00 C ATOM 672 O ASP A 73 -1.840 -1.158 -7.683 1.00 0.00 O ATOM 673 CB ASP A 73 -2.925 0.024 -10.798 1.00 0.00 C ATOM 674 CG ASP A 73 -4.216 -0.590 -11.299 1.00 0.00 C ATOM 675 OD1 ASP A 73 -5.130 0.172 -11.676 1.00 0.00 O ATOM 676 OD2 ASP A 73 -4.327 -1.837 -11.307 1.00 0.00 O ATOM 677 H ASP A 73 -0.855 0.909 -9.268 1.00 0.00 H ATOM 678 N PHE A 74 -3.622 -2.031 -8.723 1.00 0.00 N ATOM 679 CA PHE A 74 -3.766 -3.163 -7.806 1.00 0.00 C ATOM 680 C PHE A 74 -2.436 -3.827 -7.437 1.00 0.00 C ATOM 681 O PHE A 74 -2.095 -3.880 -6.261 1.00 0.00 O ATOM 682 CB PHE A 74 -4.747 -4.201 -8.355 1.00 0.00 C ATOM 683 CG PHE A 74 -4.808 -5.467 -7.532 1.00 0.00 C ATOM 684 CD1 PHE A 74 -4.664 -5.417 -6.152 1.00 0.00 C ATOM 685 CD2 PHE A 74 -5.000 -6.702 -8.133 1.00 0.00 C ATOM 686 CE1 PHE A 74 -4.709 -6.567 -5.393 1.00 0.00 C ATOM 687 CE2 PHE A 74 -5.048 -7.858 -7.372 1.00 0.00 C ATOM 688 CZ PHE A 74 -4.902 -7.788 -6.002 1.00 0.00 C ATOM 689 H PHE A 74 -4.217 -1.991 -9.575 1.00 0.00 H ATOM 690 N ASP A 75 -1.696 -4.341 -8.412 1.00 0.00 N ATOM 691 CA ASP A 75 -0.472 -5.076 -8.115 1.00 0.00 C ATOM 692 C ASP A 75 0.561 -4.190 -7.430 1.00 0.00 C ATOM 693 O ASP A 75 1.318 -4.646 -6.570 1.00 0.00 O ATOM 694 CB ASP A 75 0.117 -5.676 -9.379 1.00 0.00 C ATOM 695 CG ASP A 75 0.542 -4.637 -10.409 1.00 0.00 C ATOM 696 OD1 ASP A 75 1.747 -4.312 -10.482 1.00 0.00 O ATOM 697 OD2 ASP A 75 -0.334 -4.150 -11.155 1.00 0.00 O ATOM 698 H ASP A 75 -1.993 -4.218 -9.401 1.00 0.00 H ATOM 699 N GLU A 76 0.580 -2.929 -7.818 1.00 0.00 N ATOM 700 CA GLU A 76 1.415 -1.938 -7.183 1.00 0.00 C ATOM 701 C GLU A 76 1.060 -1.850 -5.686 1.00 0.00 C ATOM 702 O GLU A 76 1.925 -1.896 -4.807 1.00 0.00 O ATOM 703 CB GLU A 76 1.183 -0.612 -7.881 1.00 0.00 C ATOM 704 CG GLU A 76 1.416 -0.627 -9.377 1.00 0.00 C ATOM 705 CD GLU A 76 1.237 0.744 -9.992 1.00 0.00 C ATOM 706 OE1 GLU A 76 2.096 1.618 -9.783 1.00 0.00 O ATOM 707 OE2 GLU A 76 0.222 0.949 -10.683 1.00 0.00 O ATOM 708 H GLU A 76 -0.029 -2.639 -8.610 1.00 0.00 H ATOM 709 N PHE A 77 -0.234 -1.724 -5.426 1.00 0.00 N ATOM 710 CA PHE A 77 -0.788 -1.749 -4.058 1.00 0.00 C ATOM 711 C PHE A 77 -0.445 -3.052 -3.345 1.00 0.00 C ATOM 712 O PHE A 77 0.036 -3.062 -2.218 1.00 0.00 O ATOM 713 CB PHE A 77 -2.320 -1.601 -4.091 1.00 0.00 C ATOM 714 CG PHE A 77 -2.945 -1.486 -2.717 1.00 0.00 C ATOM 715 CD1 PHE A 77 -2.845 -0.303 -2.004 1.00 0.00 C ATOM 716 CD2 PHE A 77 -3.613 -2.558 -2.125 1.00 0.00 C ATOM 717 CE1 PHE A 77 -3.384 -0.181 -0.740 1.00 0.00 C ATOM 718 CE2 PHE A 77 -4.160 -2.434 -0.854 1.00 0.00 C ATOM 719 CZ PHE A 77 -4.042 -1.247 -0.164 1.00 0.00 C ATOM 720 H PHE A 77 -0.890 -1.602 -6.224 1.00 0.00 H ATOM 721 N LEU A 78 -0.716 -4.136 -4.031 1.00 0.00 N ATOM 722 CA LEU A 78 -0.570 -5.484 -3.511 1.00 0.00 C ATOM 723 C LEU A 78 0.856 -5.814 -3.091 1.00 0.00 C ATOM 724 O LEU A 78 1.068 -6.437 -2.049 1.00 0.00 O ATOM 725 CB LEU A 78 -1.039 -6.441 -4.597 1.00 0.00 C ATOM 726 CG LEU A 78 -0.978 -7.922 -4.264 1.00 0.00 C ATOM 727 CD1 LEU A 78 -1.345 -8.177 -2.850 1.00 0.00 C ATOM 728 CD2 LEU A 78 -1.921 -8.708 -5.113 1.00 0.00 C ATOM 729 H LEU A 78 -1.056 -4.024 -5.007 1.00 0.00 H ATOM 730 N VAL A 79 1.831 -5.417 -3.876 1.00 0.00 N ATOM 731 CA VAL A 79 3.194 -5.735 -3.525 1.00 0.00 C ATOM 732 C VAL A 79 3.584 -4.964 -2.269 1.00 0.00 C ATOM 733 O VAL A 79 4.361 -5.454 -1.452 1.00 0.00 O ATOM 734 CB VAL A 79 4.191 -5.440 -4.657 1.00 0.00 C ATOM 735 CG1 VAL A 79 4.718 -4.033 -4.547 1.00 0.00 C ATOM 736 CG2 VAL A 79 5.329 -6.400 -4.594 1.00 0.00 C ATOM 737 H VAL A 79 1.623 -4.879 -4.741 1.00 0.00 H ATOM 738 N MET A 80 3.020 -3.759 -2.104 1.00 0.00 N ATOM 739 CA MET A 80 3.245 -2.995 -0.892 1.00 0.00 C ATOM 740 C MET A 80 2.527 -3.673 0.258 1.00 0.00 C ATOM 741 O MET A 80 3.005 -3.672 1.378 1.00 0.00 O ATOM 742 CB MET A 80 2.768 -1.542 -1.020 1.00 0.00 C ATOM 743 CG MET A 80 2.650 -0.825 0.327 1.00 0.00 C ATOM 744 SD MET A 80 4.189 -0.842 1.281 1.00 0.00 S ATOM 745 CE MET A 80 3.649 -0.161 2.852 1.00 0.00 C ATOM 746 H MET A 80 2.414 -3.368 -2.853 1.00 0.00 H ATOM 747 N MET A 81 1.369 -4.243 -0.031 1.00 0.00 N ATOM 748 CA MET A 81 0.631 -5.004 0.928 1.00 0.00 C ATOM 749 C MET A 81 1.480 -6.099 1.562 1.00 0.00 C ATOM 750 O MET A 81 1.678 -6.104 2.777 1.00 0.00 O ATOM 751 CB MET A 81 -0.590 -5.566 0.235 1.00 0.00 C ATOM 752 CG MET A 81 -1.656 -4.531 0.019 1.00 0.00 C ATOM 753 SD MET A 81 -1.689 -3.310 1.334 1.00 0.00 S ATOM 754 CE MET A 81 -2.134 -4.349 2.714 1.00 0.00 C ATOM 755 H MET A 81 0.982 -4.134 -0.990 1.00 0.00 H ATOM 756 N VAL A 82 2.030 -6.989 0.746 1.00 0.00 N ATOM 757 CA VAL A 82 2.861 -8.073 1.266 1.00 0.00 C ATOM 758 C VAL A 82 4.181 -7.515 1.807 1.00 0.00 C ATOM 759 O VAL A 82 4.770 -8.064 2.734 1.00 0.00 O ATOM 760 CB VAL A 82 3.119 -9.168 0.202 1.00 0.00 C ATOM 761 CG1 VAL A 82 3.850 -8.604 -0.994 1.00 0.00 C ATOM 762 CG2 VAL A 82 3.886 -10.335 0.789 1.00 0.00 C ATOM 763 H VAL A 82 1.867 -6.914 -0.278 1.00 0.00 H ATOM 764 N ARG A 83 4.624 -6.405 1.236 1.00 0.00 N ATOM 765 CA ARG A 83 5.779 -5.680 1.744 1.00 0.00 C ATOM 766 C ARG A 83 5.506 -5.156 3.155 1.00 0.00 C ATOM 767 O ARG A 83 6.346 -5.267 4.043 1.00 0.00 O ATOM 768 CB ARG A 83 6.102 -4.521 0.808 1.00 0.00 C ATOM 769 CG ARG A 83 7.273 -3.663 1.235 1.00 0.00 C ATOM 770 CD ARG A 83 7.345 -2.404 0.389 1.00 0.00 C ATOM 771 NE ARG A 83 8.089 -1.330 1.047 1.00 0.00 N ATOM 772 CZ ARG A 83 8.847 -0.446 0.404 1.00 0.00 C ATOM 773 NH1 ARG A 83 9.167 -0.641 -0.870 1.00 0.00 N ATOM 774 NH2 ARG A 83 9.335 0.600 1.060 1.00 0.00 N ATOM 775 HE ARG A 83 8.021 -1.253 2.082 1.00 0.00 H ATOM 776 HH12 ARG A 83 9.760 0.052 -1.369 1.00 0.00 H ATOM 777 HH11 ARG A 83 8.825 -1.487 -1.368 1.00 0.00 H ATOM 778 HH22 ARG A 83 9.928 1.295 0.563 1.00 0.00 H ATOM 779 HH21 ARG A 83 9.124 0.725 2.071 1.00 0.00 H ATOM 780 H ARG A 83 4.130 -6.040 0.397 1.00 0.00 H ATOM 781 N SER A 84 4.314 -4.608 3.342 1.00 0.00 N ATOM 782 CA SER A 84 3.914 -3.997 4.601 1.00 0.00 C ATOM 783 C SER A 84 3.845 -5.030 5.720 1.00 0.00 C ATOM 784 O SER A 84 4.309 -4.782 6.834 1.00 0.00 O ATOM 785 CB SER A 84 2.554 -3.307 4.436 1.00 0.00 C ATOM 786 OG SER A 84 2.217 -2.551 5.585 1.00 0.00 O ATOM 787 HG SER A 84 1.337 -2.119 5.448 1.00 0.00 H ATOM 788 H SER A 84 3.635 -4.615 2.555 1.00 0.00 H ATOM 789 N MET A 85 3.272 -6.187 5.421 1.00 0.00 N ATOM 790 CA MET A 85 3.091 -7.223 6.429 1.00 0.00 C ATOM 791 C MET A 85 4.381 -8.004 6.680 1.00 0.00 C ATOM 792 O MET A 85 4.583 -8.532 7.775 1.00 0.00 O ATOM 793 CB MET A 85 1.947 -8.161 6.040 1.00 0.00 C ATOM 794 CG MET A 85 2.143 -8.838 4.706 1.00 0.00 C ATOM 795 SD MET A 85 0.613 -9.508 4.027 1.00 0.00 S ATOM 796 CE MET A 85 -0.329 -8.002 3.755 1.00 0.00 C ATOM 797 H MET A 85 2.945 -6.359 4.449 1.00 0.00 H ATOM 798 N LYS A 86 5.253 -8.089 5.679 1.00 0.00 N ATOM 799 CA LYS A 86 6.529 -8.764 5.864 1.00 0.00 C ATOM 800 C LYS A 86 7.586 -7.840 6.454 1.00 0.00 C ATOM 801 O LYS A 86 8.079 -8.098 7.551 1.00 0.00 O ATOM 802 CB LYS A 86 7.051 -9.292 4.535 1.00 0.00 C ATOM 803 CG LYS A 86 6.691 -10.733 4.239 1.00 0.00 C ATOM 804 CD LYS A 86 5.240 -10.882 3.841 1.00 0.00 C ATOM 805 CE LYS A 86 4.960 -12.264 3.271 1.00 0.00 C ATOM 806 NZ LYS A 86 5.040 -13.325 4.305 1.00 0.00 N ATOM 807 HZ1 LYS A 86 5.994 -13.333 4.718 1.00 0.00 H ATOM 808 HZ2 LYS A 86 4.340 -13.135 5.050 1.00 0.00 H ATOM 809 HZ3 LYS A 86 4.842 -14.248 3.869 1.00 0.00 H ATOM 810 H LYS A 86 5.021 -7.669 4.756 1.00 0.00 H ATOM 811 N ASP A 87 7.838 -6.731 5.741 1.00 0.00 N ATOM 812 CA ASP A 87 8.985 -5.825 5.971 1.00 0.00 C ATOM 813 C ASP A 87 10.030 -6.426 6.911 1.00 0.00 C ATOM 814 O ASP A 87 10.154 -6.026 8.073 1.00 0.00 O ATOM 815 CB ASP A 87 8.519 -4.458 6.481 1.00 0.00 C ATOM 816 CG ASP A 87 9.569 -3.376 6.262 1.00 0.00 C ATOM 817 OD1 ASP A 87 9.970 -2.711 7.239 1.00 0.00 O ATOM 818 OD2 ASP A 87 9.997 -3.182 5.103 1.00 0.00 O ATOM 819 H ASP A 87 7.180 -6.491 4.972 1.00 0.00 H ATOM 820 N ASP A 88 10.768 -7.402 6.396 1.00 0.00 N ATOM 821 CA ASP A 88 11.710 -8.173 7.205 1.00 0.00 C ATOM 822 C ASP A 88 13.020 -7.431 7.425 1.00 0.00 C ATOM 823 O ASP A 88 13.823 -7.819 8.275 1.00 0.00 O ATOM 824 CB ASP A 88 11.985 -9.535 6.568 1.00 0.00 C ATOM 825 CG ASP A 88 10.777 -10.446 6.601 1.00 0.00 C ATOM 826 OD1 ASP A 88 10.080 -10.556 5.574 1.00 0.00 O ATOM 827 OD2 ASP A 88 10.517 -11.059 7.657 1.00 0.00 O ATOM 828 H ASP A 88 10.673 -7.625 5.385 1.00 0.00 H ATOM 829 N SER A 89 13.245 -6.378 6.654 1.00 0.00 N ATOM 830 CA SER A 89 14.451 -5.580 6.802 1.00 0.00 C ATOM 831 C SER A 89 14.340 -4.665 8.022 1.00 0.00 C ATOM 832 O SER A 89 14.145 -3.461 7.896 1.00 0.00 O ATOM 833 CB SER A 89 14.699 -4.761 5.537 1.00 0.00 C ATOM 834 OG SER A 89 14.773 -5.600 4.396 1.00 0.00 O ATOM 835 HG SER A 89 14.934 -5.047 3.591 1.00 0.00 H ATOM 836 H SER A 89 12.546 -6.117 5.929 1.00 0.00 H ATOM 837 N LYS A 90 14.461 -5.253 9.201 1.00 0.00 N ATOM 838 CA LYS A 90 14.314 -4.516 10.444 1.00 0.00 C ATOM 839 C LYS A 90 15.634 -3.893 10.869 1.00 0.00 C ATOM 840 O LYS A 90 15.733 -2.678 11.043 1.00 0.00 O ATOM 841 CB LYS A 90 13.810 -5.439 11.549 1.00 0.00 C ATOM 842 CG LYS A 90 12.539 -6.185 11.187 1.00 0.00 C ATOM 843 CD LYS A 90 12.112 -7.137 12.292 1.00 0.00 C ATOM 844 CE LYS A 90 11.705 -6.397 13.557 1.00 0.00 C ATOM 845 NZ LYS A 90 11.188 -7.328 14.595 1.00 0.00 N ATOM 846 HZ1 LYS A 90 10.355 -7.829 14.225 1.00 0.00 H ATOM 847 HZ2 LYS A 90 11.928 -8.016 14.841 1.00 0.00 H ATOM 848 HZ3 LYS A 90 10.921 -6.787 15.442 1.00 0.00 H ATOM 849 H LYS A 90 14.667 -6.272 9.239 1.00 0.00 H ATOM 850 N GLY A 136 16.650 -4.729 11.025 1.00 0.00 N ATOM 851 CA GLY A 136 17.921 -4.257 11.530 1.00 0.00 C ATOM 852 C GLY A 136 19.060 -4.457 10.553 1.00 0.00 C ATOM 853 O GLY A 136 20.196 -4.704 10.963 1.00 0.00 O ATOM 854 H GLY A 136 16.533 -5.733 10.782 1.00 0.00 H ATOM 855 N LYS A 137 18.764 -4.359 9.266 1.00 0.00 N ATOM 856 CA LYS A 137 19.794 -4.462 8.245 1.00 0.00 C ATOM 857 C LYS A 137 19.447 -3.620 7.025 1.00 0.00 C ATOM 858 O LYS A 137 18.514 -2.816 7.068 1.00 0.00 O ATOM 859 CB LYS A 137 20.066 -5.929 7.862 1.00 0.00 C ATOM 860 CG LYS A 137 18.831 -6.779 7.578 1.00 0.00 C ATOM 861 CD LYS A 137 18.219 -6.481 6.219 1.00 0.00 C ATOM 862 CE LYS A 137 17.296 -7.599 5.768 1.00 0.00 C ATOM 863 NZ LYS A 137 18.037 -8.863 5.517 1.00 0.00 N ATOM 864 HZ1 LYS A 137 18.746 -8.706 4.773 1.00 0.00 H ATOM 865 HZ2 LYS A 137 18.512 -9.165 6.392 1.00 0.00 H ATOM 866 HZ3 LYS A 137 17.370 -9.600 5.211 1.00 0.00 H ATOM 867 H LYS A 137 17.776 -4.205 8.980 1.00 0.00 H ATOM 868 N PHE A 138 20.202 -3.816 5.951 1.00 0.00 N ATOM 869 CA PHE A 138 20.107 -2.989 4.754 1.00 0.00 C ATOM 870 C PHE A 138 18.683 -2.857 4.211 1.00 0.00 C ATOM 871 O PHE A 138 17.987 -3.845 3.959 1.00 0.00 O ATOM 872 CB PHE A 138 21.029 -3.541 3.664 1.00 0.00 C ATOM 873 CG PHE A 138 20.941 -2.796 2.364 1.00 0.00 C ATOM 874 CD1 PHE A 138 20.392 -3.400 1.246 1.00 0.00 C ATOM 875 CD2 PHE A 138 21.401 -1.496 2.261 1.00 0.00 C ATOM 876 CE1 PHE A 138 20.304 -2.719 0.049 1.00 0.00 C ATOM 877 CE2 PHE A 138 21.318 -0.807 1.067 1.00 0.00 C ATOM 878 CZ PHE A 138 20.768 -1.420 -0.042 1.00 0.00 C ATOM 879 H PHE A 138 20.892 -4.594 5.964 1.00 0.00 H ATOM 880 N LYS A 139 18.274 -1.608 4.063 1.00 0.00 N ATOM 881 CA LYS A 139 17.074 -1.239 3.330 1.00 0.00 C ATOM 882 C LYS A 139 17.192 0.226 2.937 1.00 0.00 C ATOM 883 O LYS A 139 17.896 0.989 3.603 1.00 0.00 O ATOM 884 CB LYS A 139 15.800 -1.438 4.165 1.00 0.00 C ATOM 885 CG LYS A 139 15.724 -0.545 5.398 1.00 0.00 C ATOM 886 CD LYS A 139 14.291 -0.129 5.727 1.00 0.00 C ATOM 887 CE LYS A 139 13.374 -1.319 5.959 1.00 0.00 C ATOM 888 NZ LYS A 139 12.029 -0.900 6.438 1.00 0.00 N ATOM 889 HZ1 LYS A 139 12.127 -0.385 7.336 1.00 0.00 H ATOM 890 HZ2 LYS A 139 11.587 -0.282 5.728 1.00 0.00 H ATOM 891 HZ3 LYS A 139 11.436 -1.742 6.583 1.00 0.00 H ATOM 892 H LYS A 139 18.841 -0.850 4.494 1.00 0.00 H ATOM 893 N ARG A 140 16.541 0.620 1.861 1.00 0.00 N ATOM 894 CA ARG A 140 16.478 2.033 1.520 1.00 0.00 C ATOM 895 C ARG A 140 15.205 2.653 2.059 1.00 0.00 C ATOM 896 O ARG A 140 14.132 2.042 2.028 1.00 0.00 O ATOM 897 CB ARG A 140 16.620 2.287 0.010 1.00 0.00 C ATOM 898 CG ARG A 140 16.005 1.225 -0.903 1.00 0.00 C ATOM 899 CD ARG A 140 14.487 1.213 -0.850 1.00 0.00 C ATOM 900 NE ARG A 140 13.930 0.153 -1.689 1.00 0.00 N ATOM 901 CZ ARG A 140 12.879 -0.594 -1.362 1.00 0.00 C ATOM 902 NH1 ARG A 140 12.250 -0.407 -0.206 1.00 0.00 N ATOM 903 NH2 ARG A 140 12.454 -1.528 -2.192 1.00 0.00 N ATOM 904 HE ARG A 140 14.387 -0.030 -2.605 1.00 0.00 H ATOM 905 HH12 ARG A 140 11.429 -0.996 0.041 1.00 0.00 H ATOM 906 HH11 ARG A 140 12.579 0.328 0.452 1.00 0.00 H ATOM 907 HH22 ARG A 140 11.633 -2.114 -1.939 1.00 0.00 H ATOM 908 HH21 ARG A 140 12.941 -1.678 -3.099 1.00 0.00 H ATOM 909 H ARG A 140 16.071 -0.081 1.254 1.00 0.00 H ATOM 910 N PRO A 141 15.333 3.868 2.588 1.00 0.00 N ATOM 911 CA PRO A 141 14.236 4.603 3.188 1.00 0.00 C ATOM 912 C PRO A 141 13.316 5.196 2.137 1.00 0.00 C ATOM 913 O PRO A 141 13.764 5.878 1.215 1.00 0.00 O ATOM 914 CB PRO A 141 14.933 5.726 3.972 1.00 0.00 C ATOM 915 CG PRO A 141 16.397 5.493 3.818 1.00 0.00 C ATOM 916 CD PRO A 141 16.573 4.634 2.625 1.00 0.00 C ATOM 917 N THR A 142 12.034 4.937 2.276 1.00 0.00 N ATOM 918 CA THR A 142 11.047 5.474 1.363 1.00 0.00 C ATOM 919 C THR A 142 10.168 6.490 2.074 1.00 0.00 C ATOM 920 O THR A 142 8.954 6.516 1.876 1.00 0.00 O ATOM 921 CB THR A 142 10.171 4.365 0.761 1.00 0.00 C ATOM 922 OG1 THR A 142 10.049 3.281 1.694 1.00 0.00 O ATOM 923 CG2 THR A 142 10.748 3.857 -0.552 1.00 0.00 C ATOM 924 HG1 THR A 142 9.484 2.570 1.300 1.00 0.00 H ATOM 925 H THR A 142 11.721 4.331 3.061 1.00 0.00 H ATOM 926 N LEU A 143 10.806 7.295 2.930 1.00 0.00 N ATOM 927 CA LEU A 143 10.120 8.280 3.766 1.00 0.00 C ATOM 928 C LEU A 143 9.457 7.637 4.968 1.00 0.00 C ATOM 929 O LEU A 143 8.313 7.189 4.897 1.00 0.00 O ATOM 930 CB LEU A 143 9.062 9.067 2.987 1.00 0.00 C ATOM 931 CG LEU A 143 9.477 10.453 2.516 1.00 0.00 C ATOM 932 CD1 LEU A 143 10.509 10.356 1.440 1.00 0.00 C ATOM 933 CD2 LEU A 143 8.294 11.209 1.987 1.00 0.00 C ATOM 934 H LEU A 143 11.840 7.217 3.005 1.00 0.00 H ATOM 935 N ARG A 144 10.166 7.596 6.085 1.00 0.00 N ATOM 936 CA ARG A 144 9.515 7.259 7.334 1.00 0.00 C ATOM 937 C ARG A 144 8.815 8.505 7.853 1.00 0.00 C ATOM 938 O ARG A 144 9.264 9.171 8.783 1.00 0.00 O ATOM 939 CB ARG A 144 10.494 6.696 8.368 1.00 0.00 C ATOM 940 CG ARG A 144 11.764 7.506 8.573 1.00 0.00 C ATOM 941 CD ARG A 144 12.409 7.165 9.909 1.00 0.00 C ATOM 942 NE ARG A 144 12.457 5.720 10.150 1.00 0.00 N ATOM 943 CZ ARG A 144 11.867 5.113 11.186 1.00 0.00 C ATOM 944 NH1 ARG A 144 11.206 5.822 12.096 1.00 0.00 N ATOM 945 NH2 ARG A 144 11.937 3.795 11.317 1.00 0.00 N ATOM 946 HE ARG A 144 12.982 5.130 9.474 1.00 0.00 H ATOM 947 HH12 ARG A 144 10.750 5.342 12.898 1.00 0.00 H ATOM 948 HH11 ARG A 144 11.145 6.856 12.005 1.00 0.00 H ATOM 949 HH22 ARG A 144 11.477 3.327 12.124 1.00 0.00 H ATOM 950 HH21 ARG A 144 12.452 3.229 10.613 1.00 0.00 H ATOM 951 H ARG A 144 11.185 7.805 6.066 1.00 0.00 H ATOM 952 N ARG A 145 7.702 8.800 7.219 1.00 0.00 N ATOM 953 CA ARG A 145 6.939 9.998 7.483 1.00 0.00 C ATOM 954 C ARG A 145 5.607 9.624 8.069 1.00 0.00 C ATOM 955 O ARG A 145 5.221 10.055 9.152 1.00 0.00 O ATOM 956 CB ARG A 145 6.717 10.721 6.171 1.00 0.00 C ATOM 957 CG ARG A 145 7.962 11.384 5.659 1.00 0.00 C ATOM 958 CD ARG A 145 8.164 12.716 6.324 1.00 0.00 C ATOM 959 NE ARG A 145 8.778 12.594 7.643 1.00 0.00 N ATOM 960 CZ ARG A 145 8.679 13.519 8.598 1.00 0.00 C ATOM 961 NH1 ARG A 145 7.957 14.614 8.394 1.00 0.00 N ATOM 962 NH2 ARG A 145 9.307 13.344 9.755 1.00 0.00 N ATOM 963 HE ARG A 145 9.325 11.734 7.850 1.00 0.00 H ATOM 964 HH12 ARG A 145 7.882 15.334 9.141 1.00 0.00 H ATOM 965 HH11 ARG A 145 7.467 14.752 7.487 1.00 0.00 H ATOM 966 HH22 ARG A 145 9.232 14.064 10.502 1.00 0.00 H ATOM 967 HH21 ARG A 145 9.874 12.487 9.914 1.00 0.00 H ATOM 968 H ARG A 145 7.355 8.140 6.494 1.00 0.00 H ATOM 969 N VAL A 146 4.938 8.778 7.322 1.00 0.00 N ATOM 970 CA VAL A 146 3.629 8.291 7.655 1.00 0.00 C ATOM 971 C VAL A 146 3.527 6.835 7.195 1.00 0.00 C ATOM 972 O VAL A 146 3.165 6.556 6.053 1.00 0.00 O ATOM 973 CB VAL A 146 2.560 9.154 6.943 1.00 0.00 C ATOM 974 CG1 VAL A 146 2.270 10.441 7.691 1.00 0.00 C ATOM 975 CG2 VAL A 146 3.018 9.497 5.530 1.00 0.00 C ATOM 976 H VAL A 146 5.379 8.442 6.442 1.00 0.00 H ATOM 977 N ARG A 147 3.859 5.903 8.073 1.00 0.00 N ATOM 978 CA ARG A 147 3.959 4.509 7.667 1.00 0.00 C ATOM 979 C ARG A 147 2.633 3.802 7.893 1.00 0.00 C ATOM 980 O ARG A 147 2.221 3.581 9.032 1.00 0.00 O ATOM 981 CB ARG A 147 5.078 3.795 8.431 1.00 0.00 C ATOM 982 CG ARG A 147 5.856 2.763 7.608 1.00 0.00 C ATOM 983 CD ARG A 147 4.956 1.711 6.966 1.00 0.00 C ATOM 984 NE ARG A 147 5.711 0.514 6.577 1.00 0.00 N ATOM 985 CZ ARG A 147 5.268 -0.735 6.735 1.00 0.00 C ATOM 986 NH1 ARG A 147 4.055 -0.961 7.224 1.00 0.00 N ATOM 987 NH2 ARG A 147 6.040 -1.759 6.393 1.00 0.00 N ATOM 988 HE ARG A 147 6.650 0.648 6.151 1.00 0.00 H ATOM 989 HH12 ARG A 147 3.716 -1.937 7.344 1.00 0.00 H ATOM 990 HH11 ARG A 147 3.443 -0.162 7.487 1.00 0.00 H ATOM 991 HH22 ARG A 147 5.696 -2.733 6.515 1.00 0.00 H ATOM 992 HH21 ARG A 147 6.989 -1.587 6.003 1.00 0.00 H ATOM 993 H ARG A 147 4.050 6.168 9.060 1.00 0.00 H ATOM 994 N ILE A 148 1.966 3.469 6.804 1.00 0.00 N ATOM 995 CA ILE A 148 0.721 2.732 6.873 1.00 0.00 C ATOM 996 C ILE A 148 0.985 1.271 7.264 1.00 0.00 C ATOM 997 O ILE A 148 1.847 0.607 6.688 1.00 0.00 O ATOM 998 CB ILE A 148 -0.050 2.832 5.528 1.00 0.00 C ATOM 999 CG1 ILE A 148 -1.273 3.764 5.693 1.00 0.00 C ATOM 1000 CG2 ILE A 148 -0.438 1.455 4.996 1.00 0.00 C ATOM 1001 CD1 ILE A 148 -2.129 3.907 4.463 1.00 0.00 C ATOM 1002 H ILE A 148 2.343 3.742 5.874 1.00 0.00 H ATOM 1003 N SER A 149 0.276 0.795 8.280 1.00 0.00 N ATOM 1004 CA SER A 149 0.360 -0.601 8.679 1.00 0.00 C ATOM 1005 C SER A 149 -0.570 -1.440 7.816 1.00 0.00 C ATOM 1006 O SER A 149 -1.660 -0.983 7.474 1.00 0.00 O ATOM 1007 CB SER A 149 -0.011 -0.753 10.152 1.00 0.00 C ATOM 1008 OG SER A 149 0.810 0.073 10.962 1.00 0.00 O ATOM 1009 HG SER A 149 0.554 -0.040 11.912 1.00 0.00 H ATOM 1010 H SER A 149 -0.355 1.435 8.803 1.00 0.00 H ATOM 1011 N ALA A 150 -0.134 -2.641 7.463 1.00 0.00 N ATOM 1012 CA ALA A 150 -0.863 -3.484 6.520 1.00 0.00 C ATOM 1013 C ALA A 150 -2.324 -3.642 6.918 1.00 0.00 C ATOM 1014 O ALA A 150 -3.221 -3.194 6.208 1.00 0.00 O ATOM 1015 CB ALA A 150 -0.202 -4.849 6.424 1.00 0.00 C ATOM 1016 H ALA A 150 0.755 -2.994 7.871 1.00 0.00 H ATOM 1017 N ASP A 151 -2.542 -4.233 8.081 1.00 0.00 N ATOM 1018 CA ASP A 151 -3.886 -4.544 8.556 1.00 0.00 C ATOM 1019 C ASP A 151 -4.611 -3.288 8.990 1.00 0.00 C ATOM 1020 O ASP A 151 -5.783 -3.116 8.697 1.00 0.00 O ATOM 1021 CB ASP A 151 -3.826 -5.501 9.742 1.00 0.00 C ATOM 1022 CG ASP A 151 -2.959 -6.716 9.492 1.00 0.00 C ATOM 1023 OD1 ASP A 151 -1.773 -6.694 9.894 1.00 0.00 O ATOM 1024 OD2 ASP A 151 -3.454 -7.698 8.909 1.00 0.00 O ATOM 1025 H ASP A 151 -1.728 -4.485 8.677 1.00 0.00 H ATOM 1026 N ALA A 152 -3.911 -2.416 9.699 1.00 0.00 N ATOM 1027 CA ALA A 152 -4.518 -1.194 10.202 1.00 0.00 C ATOM 1028 C ALA A 152 -5.094 -0.371 9.063 1.00 0.00 C ATOM 1029 O ALA A 152 -6.231 0.096 9.138 1.00 0.00 O ATOM 1030 CB ALA A 152 -3.517 -0.379 10.993 1.00 0.00 C ATOM 1031 H ALA A 152 -2.909 -2.608 9.900 1.00 0.00 H ATOM 1032 N MET A 153 -4.315 -0.221 7.996 1.00 0.00 N ATOM 1033 CA MET A 153 -4.795 0.458 6.805 1.00 0.00 C ATOM 1034 C MET A 153 -5.920 -0.332 6.186 1.00 0.00 C ATOM 1035 O MET A 153 -6.996 0.197 5.914 1.00 0.00 O ATOM 1036 CB MET A 153 -3.697 0.625 5.765 1.00 0.00 C ATOM 1037 CG MET A 153 -4.254 0.911 4.379 1.00 0.00 C ATOM 1038 SD MET A 153 -4.240 -0.545 3.310 1.00 0.00 S ATOM 1039 CE MET A 153 -2.533 -0.554 2.773 1.00 0.00 C ATOM 1040 H MET A 153 -3.345 -0.596 8.014 1.00 0.00 H ATOM 1041 N MET A 154 -5.636 -1.607 5.961 1.00 0.00 N ATOM 1042 CA MET A 154 -6.581 -2.519 5.359 1.00 0.00 C ATOM 1043 C MET A 154 -7.925 -2.424 6.040 1.00 0.00 C ATOM 1044 O MET A 154 -8.929 -2.232 5.386 1.00 0.00 O ATOM 1045 CB MET A 154 -6.034 -3.943 5.445 1.00 0.00 C ATOM 1046 CG MET A 154 -5.343 -4.398 4.176 1.00 0.00 C ATOM 1047 SD MET A 154 -4.576 -6.017 4.350 1.00 0.00 S ATOM 1048 CE MET A 154 -6.027 -7.027 4.596 1.00 0.00 C ATOM 1049 H MET A 154 -4.697 -1.965 6.228 1.00 0.00 H ATOM 1050 N GLN A 155 -7.916 -2.484 7.359 1.00 0.00 N ATOM 1051 CA GLN A 155 -9.133 -2.497 8.157 1.00 0.00 C ATOM 1052 C GLN A 155 -9.970 -1.254 7.926 1.00 0.00 C ATOM 1053 O GLN A 155 -11.199 -1.290 8.032 1.00 0.00 O ATOM 1054 CB GLN A 155 -8.786 -2.613 9.626 1.00 0.00 C ATOM 1055 CG GLN A 155 -8.509 -4.042 10.015 1.00 0.00 C ATOM 1056 CD GLN A 155 -7.940 -4.178 11.412 1.00 0.00 C ATOM 1057 OE1 GLN A 155 -8.170 -5.174 12.091 1.00 0.00 O ATOM 1058 NE2 GLN A 155 -7.193 -3.176 11.853 1.00 0.00 N ATOM 1059 HE22 GLN A 155 -7.022 -2.349 11.246 1.00 0.00 H ATOM 1060 HE21 GLN A 155 -6.778 -3.217 12.806 1.00 0.00 H ATOM 1061 H GLN A 155 -6.999 -2.524 7.849 1.00 0.00 H ATOM 1062 N ALA A 156 -9.294 -0.161 7.616 1.00 0.00 N ATOM 1063 CA ALA A 156 -9.964 1.095 7.325 1.00 0.00 C ATOM 1064 C ALA A 156 -10.849 0.945 6.106 1.00 0.00 C ATOM 1065 O ALA A 156 -11.970 1.454 6.067 1.00 0.00 O ATOM 1066 CB ALA A 156 -8.962 2.203 7.104 1.00 0.00 C ATOM 1067 H ALA A 156 -8.255 -0.201 7.579 1.00 0.00 H ATOM 1068 N LEU A 157 -10.340 0.237 5.107 1.00 0.00 N ATOM 1069 CA LEU A 157 -11.132 -0.060 3.933 1.00 0.00 C ATOM 1070 C LEU A 157 -11.993 -1.297 4.183 1.00 0.00 C ATOM 1071 O LEU A 157 -13.141 -1.376 3.754 1.00 0.00 O ATOM 1072 CB LEU A 157 -10.285 -0.347 2.698 1.00 0.00 C ATOM 1073 CG LEU A 157 -9.223 0.671 2.242 1.00 0.00 C ATOM 1074 CD1 LEU A 157 -9.506 2.078 2.655 1.00 0.00 C ATOM 1075 CD2 LEU A 157 -7.849 0.319 2.720 1.00 0.00 C ATOM 1076 H LEU A 157 -9.361 -0.109 5.168 1.00 0.00 H ATOM 1077 N LEU A 158 -11.408 -2.247 4.896 1.00 0.00 N ATOM 1078 CA LEU A 158 -11.905 -3.613 4.987 1.00 0.00 C ATOM 1079 C LEU A 158 -13.076 -3.792 5.931 1.00 0.00 C ATOM 1080 O LEU A 158 -13.287 -4.900 6.419 1.00 0.00 O ATOM 1081 CB LEU A 158 -10.789 -4.563 5.412 1.00 0.00 C ATOM 1082 CG LEU A 158 -10.271 -5.465 4.332 1.00 0.00 C ATOM 1083 CD1 LEU A 158 -9.276 -4.709 3.512 1.00 0.00 C ATOM 1084 CD2 LEU A 158 -9.652 -6.708 4.919 1.00 0.00 C ATOM 1085 H LEU A 158 -10.544 -2.004 5.421 1.00 0.00 H ATOM 1086 N GLY A 159 -13.812 -2.737 6.227 1.00 0.00 N ATOM 1087 CA GLY A 159 -15.057 -2.918 6.950 1.00 0.00 C ATOM 1088 C GLY A 159 -16.051 -3.696 6.100 1.00 0.00 C ATOM 1089 O GLY A 159 -17.038 -3.151 5.608 1.00 0.00 O ATOM 1090 H GLY A 159 -13.503 -1.785 5.945 1.00 0.00 H ATOM 1091 N ALA A 160 -15.761 -4.983 5.944 1.00 0.00 N ATOM 1092 CA ALA A 160 -16.404 -5.850 4.976 1.00 0.00 C ATOM 1093 C ALA A 160 -15.887 -7.269 5.171 1.00 0.00 C ATOM 1094 O ALA A 160 -16.650 -8.234 5.170 1.00 0.00 O ATOM 1095 CB ALA A 160 -16.089 -5.375 3.560 1.00 0.00 C ATOM 1096 H ALA A 160 -15.027 -5.395 6.555 1.00 0.00 H ATOM 1097 N ARG A 161 -14.573 -7.372 5.358 1.00 0.00 N ATOM 1098 CA ARG A 161 -13.921 -8.658 5.587 1.00 0.00 C ATOM 1099 C ARG A 161 -12.610 -8.475 6.356 1.00 0.00 C ATOM 1100 O ARG A 161 -11.643 -9.209 6.143 1.00 0.00 O ATOM 1101 CB ARG A 161 -13.660 -9.382 4.257 1.00 0.00 C ATOM 1102 CG ARG A 161 -12.760 -8.630 3.296 1.00 0.00 C ATOM 1103 CD ARG A 161 -12.315 -9.538 2.168 1.00 0.00 C ATOM 1104 NE ARG A 161 -11.385 -10.571 2.625 1.00 0.00 N ATOM 1105 CZ ARG A 161 -11.252 -11.767 2.048 1.00 0.00 C ATOM 1106 NH1 ARG A 161 -12.011 -12.104 1.014 1.00 0.00 N ATOM 1107 NH2 ARG A 161 -10.352 -12.619 2.514 1.00 0.00 N ATOM 1108 HE ARG A 161 -10.790 -10.360 3.452 1.00 0.00 H ATOM 1109 HH12 ARG A 161 -11.901 -13.038 0.570 1.00 0.00 H ATOM 1110 HH11 ARG A 161 -12.717 -11.434 0.647 1.00 0.00 H ATOM 1111 HH22 ARG A 161 -10.242 -13.553 2.070 1.00 0.00 H ATOM 1112 HH21 ARG A 161 -9.755 -12.354 3.324 1.00 0.00 H ATOM 1113 H ARG A 161 -13.993 -6.509 5.340 1.00 0.00 H ATOM 1114 N ALA A 162 -12.585 -7.490 7.247 1.00 0.00 N ATOM 1115 CA ALA A 162 -11.399 -7.216 8.054 1.00 0.00 C ATOM 1116 C ALA A 162 -11.297 -8.187 9.210 1.00 0.00 C ATOM 1117 O ALA A 162 -12.302 -8.757 9.645 1.00 0.00 O ATOM 1118 CB ALA A 162 -11.412 -5.788 8.598 1.00 0.00 C ATOM 1119 H ALA A 162 -13.431 -6.899 7.373 1.00 0.00 H ATOM 1120 N LYS A 163 -10.081 -8.385 9.693 1.00 0.00 N ATOM 1121 CA LYS A 163 -9.874 -9.121 10.928 1.00 0.00 C ATOM 1122 C LYS A 163 -10.585 -8.403 12.072 1.00 0.00 C ATOM 1123 O LYS A 163 -11.248 -9.030 12.898 1.00 0.00 O ATOM 1124 CB LYS A 163 -8.381 -9.275 11.235 1.00 0.00 C ATOM 1125 CG LYS A 163 -7.531 -8.094 10.786 1.00 0.00 C ATOM 1126 CD LYS A 163 -6.226 -8.011 11.559 1.00 0.00 C ATOM 1127 CE LYS A 163 -6.465 -7.524 12.976 1.00 0.00 C ATOM 1128 NZ LYS A 163 -5.206 -7.451 13.763 1.00 0.00 N ATOM 1129 HZ1 LYS A 163 -4.775 -8.396 13.813 1.00 0.00 H ATOM 1130 HZ2 LYS A 163 -4.547 -6.792 13.301 1.00 0.00 H ATOM 1131 HZ3 LYS A 163 -5.418 -7.114 14.724 1.00 0.00 H ATOM 1132 H LYS A 163 -9.259 -8.007 9.179 1.00 0.00 H ATOM 1133 N GLY A 164 -10.447 -7.081 12.097 1.00 0.00 N ATOM 1134 CA GLY A 164 -11.161 -6.267 13.059 1.00 0.00 C ATOM 1135 C GLY A 164 -12.239 -5.443 12.387 1.00 0.00 C ATOM 1136 O GLY A 164 -13.075 -5.980 11.661 1.00 0.00 O ATOM 1137 H GLY A 164 -9.813 -6.622 11.412 1.00 0.00 H ATOM 1138 N HIS A 165 -12.208 -4.137 12.605 1.00 0.00 N ATOM 1139 CA HIS A 165 -13.160 -3.228 11.975 1.00 0.00 C ATOM 1140 C HIS A 165 -12.579 -1.820 11.906 1.00 0.00 C ATOM 1141 O HIS A 165 -11.447 -1.589 12.340 1.00 0.00 O ATOM 1142 CB HIS A 165 -14.485 -3.216 12.747 1.00 0.00 C ATOM 1143 CG HIS A 165 -15.557 -2.375 12.113 1.00 0.00 C ATOM 1144 ND1 HIS A 165 -16.135 -1.293 12.742 1.00 0.00 N ATOM 1145 CD2 HIS A 165 -16.165 -2.470 10.906 1.00 0.00 C ATOM 1146 CE1 HIS A 165 -17.047 -0.761 11.951 1.00 0.00 C ATOM 1147 NE2 HIS A 165 -17.088 -1.459 10.832 1.00 0.00 N ATOM 1148 H HIS A 165 -11.485 -3.748 13.243 1.00 0.00 H TER 1149 HIS A 165 HETATM 1150 CAA UNN A 1 7.048 3.691 2.246 1.00 -0.03 C HETATM 1151 CAL UNN A 1 6.131 3.109 1.377 1.00 -0.06 C HETATM 1152 CAF UNN A 1 6.563 2.491 0.208 1.00 -0.07 C HETATM 1153 CAE UNN A 1 5.636 1.916 -0.654 1.00 -0.08 C HETATM 1154 CAI UNN A 1 4.281 1.958 -0.348 1.00 -0.05 C HETATM 1155 CAN UNN A 1 3.847 2.575 0.821 1.00 0.05 C HETATM 1156 CAJ UNN A 1 4.775 3.149 1.684 1.00 -0.04 C HETATM 1157 H12 UNN A 1 4.441 3.628 2.597 1.00 0.05 H HETATM 1158 NAK UNN A 1 2.556 2.619 1.136 1.00 -0.28 N HETATM 1159 CAM UNN A 1 1.494 2.604 0.335 1.00 0.06 C HETATM 1160 CAG UNN A 1 0.309 2.029 0.782 1.00 -0.04 C HETATM 1161 CAC UNN A 1 -0.810 2.009 -0.039 1.00 -0.07 C HETATM 1162 CAB UNN A 1 -0.746 2.567 -1.311 1.00 -0.07 C HETATM 1163 CAD UNN A 1 0.435 3.145 -1.759 1.00 -0.07 C HETATM 1164 CAH UNN A 1 1.554 3.164 -0.937 1.00 -0.04 C HETATM 1165 H10 UNN A 1 2.475 3.616 -1.287 1.00 0.05 H HETATM 1166 H6 UNN A 1 0.483 3.581 -2.750 1.00 0.06 H HETATM 1167 H4 UNN A 1 -1.619 2.551 -1.954 1.00 0.05 H HETATM 1168 H5 UNN A 1 -1.732 1.559 0.311 1.00 0.06 H HETATM 1169 H9 UNN A 1 0.259 1.595 1.774 1.00 0.05 H HETATM 1170 H13 UNN A 1 2.349 2.672 2.143 1.00 0.21 H HETATM 1171 H11 UNN A 1 3.560 1.509 -1.022 1.00 0.05 H HETATM 1172 H7 UNN A 1 5.971 1.434 -1.566 1.00 0.06 H HETATM 1173 H8 UNN A 1 7.620 2.458 -0.030 1.00 0.05 H HETATM 1174 H1 UNN A 1 8.065 3.564 1.845 1.00 0.04 H HETATM 1175 H2 UNN A 1 6.979 3.206 3.231 1.00 0.04 H HETATM 1176 H3 UNN A 1 6.826 4.763 2.349 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1150 1151 1174 1175 1176 CONECT 1151 1150 1152 1156 CONECT 1152 1151 1153 1173 CONECT 1153 1152 1154 1172 CONECT 1154 1153 1155 1171 CONECT 1155 1154 1156 1158 CONECT 1156 1151 1155 1157 CONECT 1157 1156 CONECT 1158 1155 1159 1170 CONECT 1159 1158 1160 1164 CONECT 1160 1159 1161 1169 CONECT 1161 1160 1162 1168 CONECT 1162 1161 1163 1167 CONECT 1163 1162 1164 1166 CONECT 1164 1159 1163 1165 CONECT 1165 1164 CONECT 1166 1163 CONECT 1167 1162 CONECT 1168 1161 CONECT 1169 1160 CONECT 1170 1158 CONECT 1171 1154 CONECT 1172 1153 CONECT 1173 1152 CONECT 1174 1150 CONECT 1175 1150 CONECT 1176 1150 MASTER 0 0 0 0 0 0 0 0 1175 1 31 10 END
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Structure:
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Related entries of code: 5wcl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
17aa, >1LXF_2|Chain... at 100%
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RCSB PDB
PDBbind
17aa, >1MXL_2|Chain... at 100%
2kfx
RCSB PDB
PDBbind
89aa, >2KFX_1|Chain... at 100%
2krd
RCSB PDB
PDBbind
17aa, >2KRD_2|Chain... at 100%
2l1r
RCSB PDB
PDBbind
20aa, >2L1R_2|Chain... at 100%
5w88
RCSB PDB
PDBbind
120aa, >5W88_1|Chain... at 100%
6mv3
RCSB PDB
PDBbind
125aa, >6MV3_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5w88
RCSB PDB
PDBbind
9XG
Entry Information
PDB ID
5wcl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
cardiac troponin
Ligand Name
9XG
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=30uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J. Mol. Cell. Cardiol. Vol. 101: pp. 134-144
Ligand Properties
Formula
C
1
3
H
1
3
N
Molecular Weight
183.249
Exact Mass
183.105
No. of atoms
27
No. of bonds
28
Polar Surface Area
12.03
LOGP Value
3.83 (
Computed with XLOGP3
)
3.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 1
No. of Rings: 2
Canonical SMILES
Cc1cccc(c1)Nc1ccccc1
InChI String
InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3
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):
P19429
P63316
Entrez Gene ID
NCBI Entrez Gene ID:
7137
7134
ASD
Information of known allosteric effects of PDB entries
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