Browse entries in the PDBbind-CN Database
HEADER 2MOW_COMPLEX COMPND 2MOW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 161 MET GLN GLN ASP ASP ASP PHE GLN ASN PHE VAL ALA THR SEQRES 2 A 161 LEU GLU SER PHE LYS ASP LEU LYS SER GLY ILE SER GLY SEQRES 3 A 161 SER ARG ILE LYS LYS LEU THR THR TYR ALA LEU ASP HIS SEQRES 4 A 161 ILE ASP ILE GLU SER LYS ILE ILE SER LEU ILE ILE ASP SEQRES 5 A 161 TYR SER ARG LEU CYS PRO ASP SER HIS LYS LEU GLY SER SEQRES 6 A 161 LEU TYR ILE ILE ASP SER ILE GLY ARG ALA TYR LEU ASP SEQRES 7 A 161 GLU THR ARG SER ASN SER ASN SER SER SER ASN LYS PRO SEQRES 8 A 161 GLY THR CYS ALA HIS ALA ILE ASN THR LEU GLY GLU VAL SEQRES 9 A 161 ILE GLN GLU LEU LEU SER ASP ALA ILE ALA LYS SER ASN SEQRES 10 A 161 GLN ASP HIS LYS GLU LYS ILE ARG MET LEU LEU ASP ILE SEQRES 11 A 161 TRP ASP ARG SER GLY LEU PHE GLN LYS SER TYR LEU ASN SEQRES 12 A 161 ALA ILE ARG SER LYS CYS PHE ALA MET ASP LEU GLU HIS SEQRES 13 A 161 HIS HIS HIS HIS HIS HET ASP A 162 176 ATOM 1 N MET A 1 3.572 -1.465 -3.001 1.00 11.23 N ATOM 2 CA MET A 1 2.423 -0.748 -3.542 1.00 71.43 C ATOM 3 C MET A 1 2.000 -1.335 -4.885 1.00 71.32 C ATOM 4 O MET A 1 1.576 -0.609 -5.784 1.00 1.15 O ATOM 5 CB MET A 1 2.750 0.737 -3.702 1.00 45.44 C ATOM 6 CG MET A 1 4.106 0.996 -4.341 1.00 33.34 C ATOM 7 SD MET A 1 4.376 2.739 -4.715 1.00 64.50 S ATOM 8 CE MET A 1 3.911 3.495 -3.160 1.00 2.23 C ATOM 9 HN3 MET A 1 4.369 -1.392 -3.665 1.00 0.00 H ATOM 10 HN2 MET A 1 3.323 -2.466 -2.866 1.00 0.00 H ATOM 11 HN1 MET A 1 3.841 -1.047 -2.087 1.00 0.00 H ATOM 12 N GLN A 2 2.118 -2.653 -5.014 1.00 5.12 N ATOM 13 CA GLN A 2 1.749 -3.336 -6.248 1.00 51.30 C ATOM 14 C GLN A 2 0.296 -3.797 -6.201 1.00 51.30 C ATOM 15 O GLN A 2 0.018 -4.987 -6.056 1.00 54.41 O ATOM 16 CB GLN A 2 2.669 -4.534 -6.488 1.00 0.01 C ATOM 17 CG GLN A 2 2.801 -4.916 -7.953 1.00 42.34 C ATOM 18 CD GLN A 2 3.272 -3.762 -8.817 1.00 10.01 C ATOM 19 OE1 GLN A 2 2.730 -3.517 -9.895 1.00 63.12 O ATOM 20 NE2 GLN A 2 4.286 -3.045 -8.346 1.00 70.32 N ATOM 21 HE22 GLN A 2 4.714 -3.288 -7.430 1.00 0.00 H ATOM 22 HE21 GLN A 2 4.652 -2.240 -8.893 1.00 0.00 H ATOM 23 H GLN A 2 2.482 -3.210 -4.215 1.00 0.00 H ATOM 24 N GLN A 3 -0.625 -2.847 -6.324 1.00 54.31 N ATOM 25 CA GLN A 3 -2.050 -3.156 -6.294 1.00 60.34 C ATOM 26 C GLN A 3 -2.424 -3.875 -5.002 1.00 51.50 C ATOM 27 O GLN A 3 -3.266 -4.773 -5.001 1.00 24.10 O ATOM 28 CB GLN A 3 -2.431 -4.018 -7.499 1.00 53.04 C ATOM 29 CG GLN A 3 -3.925 -4.041 -7.782 1.00 63.34 C ATOM 30 CD GLN A 3 -4.521 -2.651 -7.887 1.00 22.34 C ATOM 31 OE1 GLN A 3 -4.211 -1.898 -8.810 1.00 74.34 O ATOM 32 NE2 GLN A 3 -5.381 -2.303 -6.937 1.00 74.21 N ATOM 33 HE22 GLN A 3 -5.614 -2.972 -6.176 1.00 0.00 H ATOM 34 HE21 GLN A 3 -5.822 -1.361 -6.954 1.00 0.00 H ATOM 35 H GLN A 3 -0.322 -1.859 -6.445 1.00 0.00 H ATOM 36 N ASP A 4 -1.793 -3.473 -3.904 1.00 54.21 N ATOM 37 CA ASP A 4 -2.061 -4.078 -2.604 1.00 44.33 C ATOM 38 C ASP A 4 -2.501 -3.023 -1.594 1.00 45.41 C ATOM 39 O ASP A 4 -1.854 -1.986 -1.443 1.00 52.32 O ATOM 40 CB ASP A 4 -0.817 -4.806 -2.091 1.00 40.53 C ATOM 41 CG ASP A 4 -0.551 -6.096 -2.841 1.00 31.10 C ATOM 42 OD1 ASP A 4 -1.513 -6.859 -3.069 1.00 33.30 O ATOM 43 OD2 ASP A 4 0.619 -6.343 -3.200 1.00 51.35 O ATOM 44 H ASP A 4 -1.091 -2.709 -3.973 1.00 0.00 H ATOM 45 N ASP A 5 -3.604 -3.294 -0.906 1.00 1.12 N ATOM 46 CA ASP A 5 -4.131 -2.368 0.090 1.00 23.23 C ATOM 47 C ASP A 5 -4.587 -1.068 -0.564 1.00 4.30 C ATOM 48 O ASP A 5 -4.394 0.017 -0.013 1.00 72.54 O ATOM 49 CB ASP A 5 -3.072 -2.074 1.155 1.00 75.43 C ATOM 50 CG ASP A 5 -3.683 -1.745 2.503 1.00 71.13 C ATOM 51 OD1 ASP A 5 -4.502 -0.805 2.569 1.00 41.22 O ATOM 52 OD2 ASP A 5 -3.341 -2.427 3.492 1.00 74.02 O ATOM 53 H ASP A 5 -4.104 -4.189 -1.082 1.00 0.00 H ATOM 54 N ASP A 6 -5.190 -1.184 -1.742 1.00 14.15 N ATOM 55 CA ASP A 6 -5.674 -0.018 -2.471 1.00 41.43 C ATOM 56 C ASP A 6 -6.909 0.571 -1.798 1.00 14.24 C ATOM 57 O ASP A 6 -7.205 0.265 -0.642 1.00 44.22 O ATOM 58 CB ASP A 6 -5.997 -0.393 -3.919 1.00 3.45 C ATOM 59 CG ASP A 6 -5.407 0.586 -4.915 1.00 74.24 C ATOM 60 OD1 ASP A 6 -4.180 0.813 -4.870 1.00 20.22 O ATOM 61 OD2 ASP A 6 -6.173 1.124 -5.742 1.00 33.22 O ATOM 62 H ASP A 6 -5.320 -2.130 -2.154 1.00 0.00 H ATOM 63 N PHE A 7 -7.628 1.418 -2.527 1.00 42.42 N ATOM 64 CA PHE A 7 -8.831 2.052 -2.000 1.00 5.13 C ATOM 65 C PHE A 7 -9.763 1.016 -1.378 1.00 51.45 C ATOM 66 O PHE A 7 -10.557 1.333 -0.493 1.00 3.41 O ATOM 67 CB PHE A 7 -9.561 2.812 -3.109 1.00 4.11 C ATOM 68 CG PHE A 7 -10.506 3.860 -2.595 1.00 40.35 C ATOM 69 CD1 PHE A 7 -10.091 4.781 -1.647 1.00 12.21 C ATOM 70 CD2 PHE A 7 -11.809 3.925 -3.062 1.00 11.03 C ATOM 71 CE1 PHE A 7 -10.959 5.746 -1.172 1.00 54.13 C ATOM 72 CE2 PHE A 7 -12.682 4.888 -2.591 1.00 43.10 C ATOM 73 CZ PHE A 7 -12.256 5.800 -1.646 1.00 2.52 C ATOM 74 H PHE A 7 -7.325 1.634 -3.498 1.00 0.00 H ATOM 75 N GLN A 8 -9.661 -0.222 -1.850 1.00 44.13 N ATOM 76 CA GLN A 8 -10.496 -1.304 -1.342 1.00 44.04 C ATOM 77 C GLN A 8 -10.462 -1.348 0.182 1.00 55.42 C ATOM 78 O GLN A 8 -11.498 -1.247 0.838 1.00 73.43 O ATOM 79 CB GLN A 8 -10.032 -2.645 -1.913 1.00 22.30 C ATOM 80 CG GLN A 8 -10.565 -3.848 -1.151 1.00 53.31 C ATOM 81 CD GLN A 8 -11.001 -4.973 -2.068 1.00 74.23 C ATOM 82 OE1 GLN A 8 -10.323 -5.995 -2.182 1.00 54.22 O ATOM 83 NE2 GLN A 8 -12.139 -4.792 -2.729 1.00 11.03 N ATOM 84 HE22 GLN A 8 -12.680 -3.913 -2.602 1.00 0.00 H ATOM 85 HE21 GLN A 8 -12.489 -5.530 -3.373 1.00 0.00 H ATOM 86 H GLN A 8 -8.969 -0.424 -2.600 1.00 0.00 H ATOM 87 N ASN A 9 -9.265 -1.498 0.739 1.00 71.34 N ATOM 88 CA ASN A 9 -9.097 -1.556 2.186 1.00 32.22 C ATOM 89 C ASN A 9 -9.747 -0.350 2.858 1.00 62.12 C ATOM 90 O ASN A 9 -10.524 -0.495 3.802 1.00 60.44 O ATOM 91 CB ASN A 9 -7.611 -1.616 2.546 1.00 13.42 C ATOM 92 CG ASN A 9 -7.054 -3.024 2.470 1.00 1.12 C ATOM 93 OD1 ASN A 9 -6.332 -3.467 3.364 1.00 54.01 O ATOM 94 ND2 ASN A 9 -7.387 -3.735 1.399 1.00 2.30 N ATOM 95 HD22 ASN A 9 -8.000 -3.319 0.669 1.00 0.00 H ATOM 96 HD21 ASN A 9 -7.035 -4.708 1.290 1.00 0.00 H ATOM 97 H ASN A 9 -8.427 -1.576 0.128 1.00 0.00 H ATOM 98 N PHE A 10 -9.423 0.841 2.364 1.00 33.42 N ATOM 99 CA PHE A 10 -9.975 2.073 2.916 1.00 23.53 C ATOM 100 C PHE A 10 -11.500 2.034 2.915 1.00 31.04 C ATOM 101 O PHE A 10 -12.130 1.928 3.968 1.00 54.23 O ATOM 102 CB PHE A 10 -9.483 3.280 2.115 1.00 13.14 C ATOM 103 CG PHE A 10 -9.764 4.596 2.783 1.00 45.23 C ATOM 104 CD1 PHE A 10 -9.067 4.974 3.919 1.00 33.25 C ATOM 105 CD2 PHE A 10 -10.724 5.456 2.273 1.00 24.43 C ATOM 106 CE1 PHE A 10 -9.322 6.184 4.536 1.00 54.42 C ATOM 107 CE2 PHE A 10 -10.983 6.668 2.885 1.00 63.41 C ATOM 108 CZ PHE A 10 -10.282 7.032 4.018 1.00 32.13 C ATOM 109 H PHE A 10 -8.760 0.896 1.565 1.00 0.00 H ATOM 110 N VAL A 11 -12.088 2.121 1.726 1.00 4.32 N ATOM 111 CA VAL A 11 -13.539 2.096 1.587 1.00 43.02 C ATOM 112 C VAL A 11 -14.147 0.943 2.377 1.00 22.21 C ATOM 113 O VAL A 11 -15.150 1.112 3.069 1.00 55.13 O ATOM 114 CB VAL A 11 -13.959 1.970 0.110 1.00 25.32 C ATOM 115 CG1 VAL A 11 -15.034 0.906 -0.050 1.00 64.33 C ATOM 116 CG2 VAL A 11 -14.440 3.311 -0.423 1.00 31.41 C ATOM 117 H VAL A 11 -11.498 2.209 0.874 1.00 0.00 H ATOM 118 N ALA A 12 -13.531 -0.230 2.270 1.00 73.22 N ATOM 119 CA ALA A 12 -14.010 -1.412 2.977 1.00 53.44 C ATOM 120 C ALA A 12 -14.170 -1.132 4.467 1.00 32.41 C ATOM 121 O ALA A 12 -15.211 -1.425 5.057 1.00 70.33 O ATOM 122 CB ALA A 12 -13.061 -2.580 2.755 1.00 11.03 C ATOM 123 H ALA A 12 -12.687 -0.307 1.667 1.00 0.00 H ATOM 124 N THR A 13 -13.132 -0.565 5.073 1.00 1.40 N ATOM 125 CA THR A 13 -13.157 -0.248 6.495 1.00 5.43 C ATOM 126 C THR A 13 -14.329 0.665 6.835 1.00 33.00 C ATOM 127 O THR A 13 -15.129 0.361 7.721 1.00 11.53 O ATOM 128 CB THR A 13 -11.847 0.430 6.943 1.00 73.43 C ATOM 129 OG1 THR A 13 -10.733 -0.425 6.663 1.00 32.43 O ATOM 130 CG2 THR A 13 -11.885 0.752 8.429 1.00 54.22 C ATOM 131 HG1 THR A 13 -10.692 -0.604 5.690 1.00 0.00 H ATOM 132 H THR A 13 -12.281 -0.342 4.519 1.00 0.00 H ATOM 133 N LEU A 14 -14.427 1.784 6.125 1.00 31.43 N ATOM 134 CA LEU A 14 -15.504 2.741 6.351 1.00 11.43 C ATOM 135 C LEU A 14 -16.867 2.070 6.217 1.00 31.21 C ATOM 136 O LEU A 14 -17.709 2.171 7.108 1.00 14.23 O ATOM 137 CB LEU A 14 -15.396 3.903 5.362 1.00 2.33 C ATOM 138 CG LEU A 14 -16.032 5.222 5.803 1.00 35.34 C ATOM 139 CD1 LEU A 14 -15.365 5.740 7.068 1.00 41.23 C ATOM 140 CD2 LEU A 14 -15.945 6.255 4.690 1.00 50.03 C ATOM 141 H LEU A 14 -13.718 1.982 5.390 1.00 0.00 H ATOM 142 N GLU A 15 -17.075 1.383 5.098 1.00 21.53 N ATOM 143 CA GLU A 15 -18.335 0.693 4.849 1.00 15.11 C ATOM 144 C GLU A 15 -18.731 -0.168 6.046 1.00 44.43 C ATOM 145 O GLU A 15 -19.820 -0.018 6.598 1.00 33.34 O ATOM 146 CB GLU A 15 -18.227 -0.177 3.595 1.00 55.52 C ATOM 147 CG GLU A 15 -17.884 0.607 2.339 1.00 64.40 C ATOM 148 CD GLU A 15 -19.065 0.750 1.399 1.00 1.32 C ATOM 149 OE1 GLU A 15 -19.828 -0.228 1.252 1.00 2.34 O ATOM 150 OE2 GLU A 15 -19.227 1.840 0.811 1.00 64.43 O ATOM 151 H GLU A 15 -16.321 1.337 4.383 1.00 0.00 H ATOM 152 N SER A 16 -17.837 -1.069 6.440 1.00 62.15 N ATOM 153 CA SER A 16 -18.093 -1.957 7.567 1.00 21.33 C ATOM 154 C SER A 16 -18.419 -1.158 8.825 1.00 12.02 C ATOM 155 O SER A 16 -19.189 -1.604 9.676 1.00 72.31 O ATOM 156 CB SER A 16 -16.881 -2.857 7.821 1.00 55.42 C ATOM 157 OG SER A 16 -17.172 -3.840 8.799 1.00 2.54 O ATOM 158 HG SER A 16 -17.421 -3.396 9.648 1.00 0.00 H ATOM 159 H SER A 16 -16.933 -1.142 5.932 1.00 0.00 H ATOM 160 N PHE A 17 -17.828 0.027 8.936 1.00 65.23 N ATOM 161 CA PHE A 17 -18.053 0.889 10.090 1.00 55.44 C ATOM 162 C PHE A 17 -19.539 1.195 10.258 1.00 60.13 C ATOM 163 O PHE A 17 -20.147 0.841 11.268 1.00 74.22 O ATOM 164 CB PHE A 17 -17.267 2.193 9.940 1.00 2.31 C ATOM 165 CG PHE A 17 -16.605 2.643 11.211 1.00 2.00 C ATOM 166 CD1 PHE A 17 -15.933 1.737 12.016 1.00 43.32 C ATOM 167 CD2 PHE A 17 -16.655 3.972 11.601 1.00 31.43 C ATOM 168 CE1 PHE A 17 -15.322 2.148 13.186 1.00 70.12 C ATOM 169 CE2 PHE A 17 -16.046 4.388 12.770 1.00 40.11 C ATOM 170 CZ PHE A 17 -15.380 3.475 13.564 1.00 43.02 C ATOM 171 H PHE A 17 -17.189 0.348 8.181 1.00 0.00 H ATOM 172 N LYS A 18 -20.117 1.856 9.260 1.00 34.45 N ATOM 173 CA LYS A 18 -21.531 2.210 9.295 1.00 35.51 C ATOM 174 C LYS A 18 -22.398 0.969 9.483 1.00 35.30 C ATOM 175 O LYS A 18 -23.426 1.015 10.159 1.00 34.31 O ATOM 176 CB LYS A 18 -21.929 2.932 8.006 1.00 12.10 C ATOM 177 CG LYS A 18 -21.474 2.220 6.744 1.00 21.22 C ATOM 178 CD LYS A 18 -22.106 2.826 5.503 1.00 74.14 C ATOM 179 CE LYS A 18 -21.947 1.915 4.295 1.00 40.32 C ATOM 180 NZ LYS A 18 -21.772 2.690 3.035 1.00 1.22 N ATOM 181 HZ1 LYS A 18 -22.605 3.293 2.882 1.00 0.00 H ATOM 182 HZ2 LYS A 18 -20.922 3.284 3.110 1.00 0.00 H ATOM 183 HZ3 LYS A 18 -21.667 2.032 2.236 1.00 0.00 H ATOM 184 H LYS A 18 -19.547 2.127 8.434 1.00 0.00 H ATOM 185 N ASP A 19 -21.977 -0.139 8.882 1.00 2.53 N ATOM 186 CA ASP A 19 -22.714 -1.393 8.986 1.00 44.32 C ATOM 187 C ASP A 19 -22.907 -1.791 10.446 1.00 44.42 C ATOM 188 O ASP A 19 -23.811 -2.559 10.777 1.00 43.03 O ATOM 189 CB ASP A 19 -21.979 -2.504 8.234 1.00 11.03 C ATOM 190 CG ASP A 19 -22.843 -3.732 8.028 1.00 32.51 C ATOM 191 OD1 ASP A 19 -23.550 -3.795 7.000 1.00 34.35 O ATOM 192 OD2 ASP A 19 -22.812 -4.632 8.894 1.00 43.41 O ATOM 193 H ASP A 19 -21.100 -0.111 8.324 1.00 0.00 H ATOM 194 N LEU A 20 -22.051 -1.264 11.315 1.00 33.01 N ATOM 195 CA LEU A 20 -22.127 -1.565 12.741 1.00 44.24 C ATOM 196 C LEU A 20 -23.353 -0.912 13.371 1.00 43.11 C ATOM 197 O LEU A 20 -24.030 -0.100 12.741 1.00 54.04 O ATOM 198 CB LEU A 20 -20.859 -1.087 13.450 1.00 3.15 C ATOM 199 CG LEU A 20 -19.558 -1.776 13.037 1.00 43.21 C ATOM 200 CD1 LEU A 20 -18.356 -0.956 13.480 1.00 64.41 C ATOM 201 CD2 LEU A 20 -19.491 -3.181 13.617 1.00 63.12 C ATOM 202 H LEU A 20 -21.309 -0.622 10.971 1.00 0.00 H ATOM 203 N LYS A 21 -23.631 -1.270 14.620 1.00 73.44 N ATOM 204 CA LYS A 21 -24.773 -0.718 15.338 1.00 13.31 C ATOM 205 C LYS A 21 -24.318 0.281 16.397 1.00 13.40 C ATOM 206 O LYS A 21 -24.545 0.082 17.590 1.00 21.24 O ATOM 207 CB LYS A 21 -25.581 -1.840 15.994 1.00 0.11 C ATOM 208 CG LYS A 21 -24.736 -3.027 16.422 1.00 71.41 C ATOM 209 CD LYS A 21 -23.675 -2.622 17.431 1.00 63.02 C ATOM 210 CE LYS A 21 -22.739 -3.778 17.750 1.00 2.31 C ATOM 211 NZ LYS A 21 -23.039 -4.384 19.076 1.00 31.55 N ATOM 212 HZ1 LYS A 21 -22.932 -3.663 19.818 1.00 0.00 H ATOM 213 HZ2 LYS A 21 -24.015 -4.744 19.079 1.00 0.00 H ATOM 214 HZ3 LYS A 21 -22.379 -5.168 19.255 1.00 0.00 H ATOM 215 H LYS A 21 -23.018 -1.962 15.097 1.00 0.00 H ATOM 216 N SER A 22 -23.677 1.357 15.952 1.00 3.23 N ATOM 217 CA SER A 22 -23.188 2.386 16.862 1.00 10.44 C ATOM 218 C SER A 22 -22.031 1.860 17.707 1.00 54.22 C ATOM 219 O SER A 22 -21.893 2.212 18.878 1.00 63.44 O ATOM 220 CB SER A 22 -24.319 2.872 17.772 1.00 63.24 C ATOM 221 OG SER A 22 -24.123 4.223 18.152 1.00 72.14 O ATOM 222 HG SER A 22 -23.265 4.306 18.640 1.00 0.00 H ATOM 223 H SER A 22 -23.520 1.468 14.930 1.00 0.00 H ATOM 224 N GLY A 23 -21.203 1.014 17.102 1.00 5.25 N ATOM 225 CA GLY A 23 -20.068 0.452 17.812 1.00 15.25 C ATOM 226 C GLY A 23 -18.827 1.314 17.696 1.00 63.41 C ATOM 227 O GLY A 23 -18.224 1.684 18.704 1.00 42.45 O ATOM 228 H GLY A 23 -21.370 0.752 16.110 1.00 0.00 H ATOM 229 N ILE A 24 -18.442 1.631 16.464 1.00 15.43 N ATOM 230 CA ILE A 24 -17.264 2.454 16.221 1.00 70.15 C ATOM 231 C ILE A 24 -16.013 1.811 16.811 1.00 55.13 C ATOM 232 O ILE A 24 -15.561 2.187 17.892 1.00 32.01 O ATOM 233 CB ILE A 24 -17.430 3.866 16.813 1.00 34.41 C ATOM 234 CG1 ILE A 24 -18.690 4.531 16.256 1.00 54.12 C ATOM 235 CG2 ILE A 24 -16.202 4.713 16.516 1.00 20.34 C ATOM 236 CD1 ILE A 24 -19.511 5.246 17.306 1.00 1.51 C ATOM 237 H ILE A 24 -18.994 1.284 15.654 1.00 0.00 H ATOM 238 N SER A 25 -15.458 0.841 16.092 1.00 61.12 N ATOM 239 CA SER A 25 -14.260 0.144 16.545 1.00 61.10 C ATOM 240 C SER A 25 -13.002 0.899 16.127 1.00 24.41 C ATOM 241 O SER A 25 -12.856 1.294 14.971 1.00 31.31 O ATOM 242 CB SER A 25 -14.227 -1.278 15.980 1.00 1.43 C ATOM 243 OG SER A 25 -14.816 -2.198 16.882 1.00 73.31 O ATOM 244 HG SER A 25 -14.782 -3.108 16.493 1.00 0.00 H ATOM 245 H SER A 25 -15.889 0.572 15.184 1.00 0.00 H ATOM 246 N GLY A 26 -12.094 1.095 17.078 1.00 5.33 N ATOM 247 CA GLY A 26 -10.859 1.802 16.791 1.00 70.02 C ATOM 248 C GLY A 26 -10.076 1.164 15.660 1.00 2.44 C ATOM 249 O GLY A 26 -9.427 1.858 14.877 1.00 13.01 O ATOM 250 H GLY A 26 -12.270 0.738 18.039 1.00 0.00 H ATOM 251 N SER A 27 -10.134 -0.161 15.576 1.00 53.22 N ATOM 252 CA SER A 27 -9.420 -0.893 14.536 1.00 12.41 C ATOM 253 C SER A 27 -9.676 -0.276 13.164 1.00 33.13 C ATOM 254 O SER A 27 -8.741 0.071 12.443 1.00 2.02 O ATOM 255 CB SER A 27 -9.845 -2.362 14.534 1.00 25.55 C ATOM 256 OG SER A 27 -8.792 -3.197 14.082 1.00 51.41 O ATOM 257 HG SER A 27 -9.093 -4.140 14.091 1.00 0.00 H ATOM 258 H SER A 27 -10.702 -0.689 16.269 1.00 0.00 H ATOM 259 N ARG A 28 -10.951 -0.143 12.811 1.00 64.31 N ATOM 260 CA ARG A 28 -11.331 0.430 11.526 1.00 71.05 C ATOM 261 C ARG A 28 -10.628 1.764 11.296 1.00 42.43 C ATOM 262 O ARG A 28 -9.954 1.956 10.283 1.00 73.23 O ATOM 263 CB ARG A 28 -12.847 0.622 11.458 1.00 53.14 C ATOM 264 CG ARG A 28 -13.610 -0.655 11.143 1.00 45.31 C ATOM 265 CD ARG A 28 -13.851 -1.482 12.396 1.00 74.24 C ATOM 266 NE ARG A 28 -14.838 -2.536 12.174 1.00 53.44 N ATOM 267 CZ ARG A 28 -14.971 -3.596 12.962 1.00 21.41 C ATOM 268 NH1 ARG A 28 -14.184 -3.743 14.019 1.00 61.50 N ATOM 269 NH2 ARG A 28 -15.893 -4.513 12.694 1.00 3.54 N ATOM 270 HE ARG A 28 -15.471 -2.451 11.353 1.00 0.00 H ATOM 271 HH12 ARG A 28 -14.290 -4.574 14.635 1.00 0.00 H ATOM 272 HH11 ARG A 28 -13.461 -3.027 14.232 1.00 0.00 H ATOM 273 HH22 ARG A 28 -15.996 -5.343 13.312 1.00 0.00 H ATOM 274 HH21 ARG A 28 -16.512 -4.401 11.866 1.00 0.00 H ATOM 275 H ARG A 28 -11.695 -0.455 13.467 1.00 0.00 H ATOM 276 N ILE A 29 -10.789 2.683 12.242 1.00 55.21 N ATOM 277 CA ILE A 29 -10.170 3.999 12.142 1.00 23.35 C ATOM 278 C ILE A 29 -8.682 3.883 11.829 1.00 2.22 C ATOM 279 O ILE A 29 -8.161 4.590 10.966 1.00 3.02 O ATOM 280 CB ILE A 29 -10.348 4.805 13.443 1.00 70.34 C ATOM 281 CG1 ILE A 29 -11.835 4.981 13.759 1.00 5.22 C ATOM 282 CG2 ILE A 29 -9.662 6.157 13.326 1.00 44.44 C ATOM 283 CD1 ILE A 29 -12.093 5.761 15.029 1.00 14.31 C ATOM 284 H ILE A 29 -11.371 2.458 13.074 1.00 0.00 H ATOM 285 N LYS A 30 -8.002 2.986 12.535 1.00 72.31 N ATOM 286 CA LYS A 30 -6.574 2.773 12.331 1.00 11.53 C ATOM 287 C LYS A 30 -6.276 2.440 10.873 1.00 31.31 C ATOM 288 O LYS A 30 -5.462 3.100 10.228 1.00 44.20 O ATOM 289 CB LYS A 30 -6.071 1.647 13.237 1.00 62.15 C ATOM 290 CG LYS A 30 -5.563 2.130 14.584 1.00 13.21 C ATOM 291 CD LYS A 30 -4.998 0.987 15.410 1.00 61.22 C ATOM 292 CE LYS A 30 -6.103 0.109 15.977 1.00 11.31 C ATOM 293 NZ LYS A 30 -5.735 -0.457 17.304 1.00 15.15 N ATOM 294 HZ1 LYS A 30 -4.876 -1.035 17.207 1.00 0.00 H ATOM 295 HZ2 LYS A 30 -5.558 0.319 17.974 1.00 0.00 H ATOM 296 HZ3 LYS A 30 -6.515 -1.049 17.655 1.00 0.00 H ATOM 297 H LYS A 30 -8.501 2.421 13.252 1.00 0.00 H ATOM 298 N LYS A 31 -6.942 1.412 10.358 1.00 21.52 N ATOM 299 CA LYS A 31 -6.751 0.991 8.975 1.00 11.12 C ATOM 300 C LYS A 31 -6.853 2.181 8.026 1.00 60.31 C ATOM 301 O LYS A 31 -5.984 2.387 7.177 1.00 14.13 O ATOM 302 CB LYS A 31 -7.788 -0.069 8.595 1.00 3.50 C ATOM 303 CG LYS A 31 -7.310 -1.493 8.816 1.00 71.41 C ATOM 304 CD LYS A 31 -6.058 -1.793 8.009 1.00 60.21 C ATOM 305 CE LYS A 31 -5.814 -3.290 7.894 1.00 74.15 C ATOM 306 NZ LYS A 31 -5.763 -3.948 9.228 1.00 34.34 N ATOM 307 HZ1 LYS A 31 -4.991 -3.534 9.788 1.00 0.00 H ATOM 308 HZ2 LYS A 31 -6.667 -3.802 9.720 1.00 0.00 H ATOM 309 HZ3 LYS A 31 -5.595 -4.967 9.104 1.00 0.00 H ATOM 310 H LYS A 31 -7.617 0.894 10.957 1.00 0.00 H ATOM 311 N LEU A 32 -7.918 2.961 8.175 1.00 5.22 N ATOM 312 CA LEU A 32 -8.132 4.132 7.332 1.00 51.11 C ATOM 313 C LEU A 32 -6.955 5.097 7.430 1.00 1.12 C ATOM 314 O LEU A 32 -6.428 5.557 6.417 1.00 52.35 O ATOM 315 CB LEU A 32 -9.425 4.844 7.733 1.00 0.33 C ATOM 316 CG LEU A 32 -10.714 4.038 7.571 1.00 62.40 C ATOM 317 CD1 LEU A 32 -11.697 4.373 8.682 1.00 23.40 C ATOM 318 CD2 LEU A 32 -11.338 4.298 6.208 1.00 41.22 C ATOM 319 H LEU A 32 -8.616 2.731 8.911 1.00 0.00 H ATOM 320 N THR A 33 -6.544 5.399 8.658 1.00 34.22 N ATOM 321 CA THR A 33 -5.429 6.308 8.890 1.00 60.24 C ATOM 322 C THR A 33 -4.161 5.807 8.207 1.00 11.12 C ATOM 323 O THR A 33 -3.700 6.390 7.225 1.00 3.14 O ATOM 324 CB THR A 33 -5.152 6.486 10.394 1.00 13.03 C ATOM 325 OG1 THR A 33 -6.387 6.625 11.106 1.00 1.13 O ATOM 326 CG2 THR A 33 -4.278 7.706 10.643 1.00 64.50 C ATOM 327 HG1 THR A 33 -6.938 5.814 10.969 1.00 0.00 H ATOM 328 H THR A 33 -7.031 4.976 9.474 1.00 0.00 H ATOM 329 N THR A 34 -3.601 4.722 8.733 1.00 63.04 N ATOM 330 CA THR A 34 -2.385 4.143 8.174 1.00 34.12 C ATOM 331 C THR A 34 -2.440 4.114 6.651 1.00 24.01 C ATOM 332 O THR A 34 -1.472 4.470 5.979 1.00 45.31 O ATOM 333 CB THR A 34 -2.154 2.712 8.696 1.00 50.04 C ATOM 334 OG1 THR A 34 -0.942 2.181 8.148 1.00 0.23 O ATOM 335 CG2 THR A 34 -3.321 1.807 8.329 1.00 2.32 C ATOM 336 HG1 THR A 34 -0.802 1.262 8.489 1.00 0.00 H ATOM 337 H THR A 34 -4.041 4.276 9.563 1.00 0.00 H ATOM 338 N TYR A 35 -3.577 3.688 6.112 1.00 2.53 N ATOM 339 CA TYR A 35 -3.756 3.612 4.667 1.00 32.44 C ATOM 340 C TYR A 35 -3.558 4.979 4.020 1.00 15.14 C ATOM 341 O TYR A 35 -2.742 5.137 3.113 1.00 32.41 O ATOM 342 CB TYR A 35 -5.149 3.073 4.333 1.00 5.52 C ATOM 343 CG TYR A 35 -5.583 3.357 2.913 1.00 44.50 C ATOM 344 CD1 TYR A 35 -6.191 4.561 2.580 1.00 52.35 C ATOM 345 CD2 TYR A 35 -5.385 2.422 1.905 1.00 53.01 C ATOM 346 CE1 TYR A 35 -6.590 4.825 1.283 1.00 12.04 C ATOM 347 CE2 TYR A 35 -5.780 2.678 0.606 1.00 63.30 C ATOM 348 CZ TYR A 35 -6.382 3.880 0.300 1.00 2.42 C ATOM 349 OH TYR A 35 -6.777 4.138 -0.992 1.00 54.33 O ATOM 350 HH TYR A 35 -7.188 5.038 -1.037 1.00 0.00 H ATOM 351 H TYR A 35 -4.358 3.402 6.736 1.00 0.00 H ATOM 352 N ALA A 36 -4.312 5.965 4.495 1.00 10.51 N ATOM 353 CA ALA A 36 -4.219 7.320 3.966 1.00 2.51 C ATOM 354 C ALA A 36 -2.767 7.783 3.893 1.00 75.30 C ATOM 355 O ALA A 36 -2.275 8.149 2.825 1.00 23.31 O ATOM 356 CB ALA A 36 -5.037 8.278 4.820 1.00 73.23 C ATOM 357 H ALA A 36 -4.985 5.765 5.263 1.00 0.00 H ATOM 358 N LEU A 37 -2.088 7.764 5.034 1.00 4.41 N ATOM 359 CA LEU A 37 -0.692 8.183 5.100 1.00 65.53 C ATOM 360 C LEU A 37 0.169 7.358 4.148 1.00 22.21 C ATOM 361 O LEU A 37 0.987 7.901 3.405 1.00 11.55 O ATOM 362 CB LEU A 37 -0.165 8.047 6.529 1.00 3.14 C ATOM 363 CG LEU A 37 -0.600 9.135 7.511 1.00 13.42 C ATOM 364 CD1 LEU A 37 -1.778 8.660 8.347 1.00 20.55 C ATOM 365 CD2 LEU A 37 0.561 9.543 8.406 1.00 64.33 C ATOM 366 H LEU A 37 -2.563 7.443 5.902 1.00 0.00 H ATOM 367 N ASP A 38 -0.022 6.043 4.175 1.00 40.55 N ATOM 368 CA ASP A 38 0.734 5.143 3.312 1.00 45.31 C ATOM 369 C ASP A 38 0.574 5.533 1.846 1.00 41.22 C ATOM 370 O ASP A 38 1.444 5.255 1.020 1.00 41.22 O ATOM 371 CB ASP A 38 0.278 3.699 3.521 1.00 21.41 C ATOM 372 CG ASP A 38 1.158 2.702 2.792 1.00 54.23 C ATOM 373 OD1 ASP A 38 2.300 3.065 2.439 1.00 33.13 O ATOM 374 OD2 ASP A 38 0.704 1.559 2.574 1.00 2.30 O ATOM 375 H ASP A 38 -0.728 5.646 4.828 1.00 0.00 H ATOM 376 N HIS A 39 -0.544 6.178 1.529 1.00 35.20 N ATOM 377 CA HIS A 39 -0.819 6.606 0.162 1.00 74.41 C ATOM 378 C HIS A 39 -1.288 8.057 0.131 1.00 40.23 C ATOM 379 O HIS A 39 -2.488 8.332 0.134 1.00 33.00 O ATOM 380 CB HIS A 39 -1.876 5.703 -0.475 1.00 32.53 C ATOM 381 CG HIS A 39 -1.446 4.273 -0.599 1.00 54.23 C ATOM 382 ND1 HIS A 39 -1.854 3.286 0.273 1.00 74.14 N ATOM 383 CD2 HIS A 39 -0.641 3.666 -1.502 1.00 3.40 C ATOM 384 CE1 HIS A 39 -1.317 2.134 -0.087 1.00 40.13 C ATOM 385 NE2 HIS A 39 -0.576 2.338 -1.162 1.00 33.41 N ATOM 386 H HIS A 39 -1.240 6.383 2.274 1.00 0.00 H ATOM 387 N ILE A 40 -0.334 8.981 0.101 1.00 3.43 N ATOM 388 CA ILE A 40 -0.650 10.404 0.069 1.00 25.03 C ATOM 389 C ILE A 40 -1.076 10.841 -1.328 1.00 1.20 C ATOM 390 O ILE A 40 -1.408 12.005 -1.551 1.00 12.51 O ATOM 391 CB ILE A 40 0.551 11.257 0.518 1.00 45.42 C ATOM 392 CG1 ILE A 40 1.147 10.699 1.812 1.00 63.34 C ATOM 393 CG2 ILE A 40 0.130 12.707 0.705 1.00 4.31 C ATOM 394 CD1 ILE A 40 0.210 10.785 2.995 1.00 15.14 C ATOM 395 H ILE A 40 0.662 8.682 0.100 1.00 0.00 H ATOM 396 N ASP A 41 -1.066 9.900 -2.265 1.00 62.31 N ATOM 397 CA ASP A 41 -1.454 10.186 -3.641 1.00 54.41 C ATOM 398 C ASP A 41 -2.946 9.939 -3.847 1.00 44.24 C ATOM 399 O ASP A 41 -3.398 9.718 -4.971 1.00 13.00 O ATOM 400 CB ASP A 41 -0.643 9.327 -4.612 1.00 53.23 C ATOM 401 CG ASP A 41 -0.444 10.002 -5.955 1.00 0.40 C ATOM 402 OD1 ASP A 41 0.032 11.157 -5.974 1.00 63.11 O ATOM 403 OD2 ASP A 41 -0.763 9.376 -6.987 1.00 15.13 O ATOM 404 H ASP A 41 -0.774 8.935 -2.011 1.00 0.00 H ATOM 405 N ILE A 42 -3.703 9.977 -2.756 1.00 41.33 N ATOM 406 CA ILE A 42 -5.142 9.757 -2.818 1.00 55.51 C ATOM 407 C ILE A 42 -5.862 10.511 -1.705 1.00 0.23 C ATOM 408 O ILE A 42 -6.919 10.088 -1.238 1.00 63.51 O ATOM 409 CB ILE A 42 -5.488 8.260 -2.716 1.00 12.23 C ATOM 410 CG1 ILE A 42 -4.480 7.542 -1.817 1.00 24.21 C ATOM 411 CG2 ILE A 42 -5.518 7.628 -4.099 1.00 62.40 C ATOM 412 CD1 ILE A 42 -4.768 6.067 -1.644 1.00 2.04 C ATOM 413 H ILE A 42 -3.258 10.168 -1.836 1.00 0.00 H ATOM 414 N GLU A 43 -5.282 11.632 -1.285 1.00 73.44 N ATOM 415 CA GLU A 43 -5.870 12.445 -0.227 1.00 45.02 C ATOM 416 C GLU A 43 -7.277 12.898 -0.606 1.00 63.34 C ATOM 417 O GLU A 43 -8.149 13.032 0.251 1.00 12.24 O ATOM 418 CB GLU A 43 -4.989 13.664 0.058 1.00 73.31 C ATOM 419 CG GLU A 43 -5.209 14.813 -0.911 1.00 41.23 C ATOM 420 CD GLU A 43 -6.264 15.790 -0.429 1.00 22.33 C ATOM 421 OE1 GLU A 43 -7.065 15.410 0.451 1.00 71.32 O ATOM 422 OE2 GLU A 43 -6.289 16.933 -0.930 1.00 45.00 O ATOM 423 H GLU A 43 -4.388 11.936 -1.721 1.00 0.00 H ATOM 424 N SER A 44 -7.489 13.132 -1.897 1.00 62.25 N ATOM 425 CA SER A 44 -8.788 13.574 -2.391 1.00 20.32 C ATOM 426 C SER A 44 -9.872 12.553 -2.056 1.00 41.51 C ATOM 427 O SER A 44 -10.704 12.779 -1.177 1.00 5.13 O ATOM 428 CB SER A 44 -8.733 13.799 -3.903 1.00 72.11 C ATOM 429 OG SER A 44 -9.937 14.377 -4.376 1.00 52.15 O ATOM 430 HG SER A 44 -9.875 14.512 -5.355 1.00 0.00 H ATOM 431 H SER A 44 -6.709 12.997 -2.572 1.00 0.00 H ATOM 432 N LYS A 45 -9.856 11.429 -2.764 1.00 53.32 N ATOM 433 CA LYS A 45 -10.836 10.372 -2.544 1.00 23.14 C ATOM 434 C LYS A 45 -10.989 10.074 -1.056 1.00 24.34 C ATOM 435 O LYS A 45 -12.105 9.980 -0.544 1.00 24.15 O ATOM 436 CB LYS A 45 -10.422 9.101 -3.289 1.00 45.33 C ATOM 437 CG LYS A 45 -8.917 8.934 -3.417 1.00 53.24 C ATOM 438 CD LYS A 45 -8.406 9.482 -4.739 1.00 41.21 C ATOM 439 CE LYS A 45 -8.338 8.397 -5.803 1.00 44.42 C ATOM 440 NZ LYS A 45 -9.458 8.506 -6.778 1.00 61.42 N ATOM 441 HZ1 LYS A 45 -10.364 8.414 -6.275 1.00 0.00 H ATOM 442 HZ2 LYS A 45 -9.415 9.431 -7.251 1.00 0.00 H ATOM 443 HZ3 LYS A 45 -9.375 7.749 -7.486 1.00 0.00 H ATOM 444 H LYS A 45 -9.126 11.300 -3.494 1.00 0.00 H ATOM 445 N ILE A 46 -9.862 9.927 -0.367 1.00 44.33 N ATOM 446 CA ILE A 46 -9.872 9.643 1.062 1.00 24.42 C ATOM 447 C ILE A 46 -10.654 10.703 1.829 1.00 55.35 C ATOM 448 O ILE A 46 -11.763 10.450 2.302 1.00 25.12 O ATOM 449 CB ILE A 46 -8.442 9.565 1.631 1.00 73.12 C ATOM 450 CG1 ILE A 46 -7.720 8.330 1.087 1.00 14.15 C ATOM 451 CG2 ILE A 46 -8.478 9.538 3.151 1.00 10.05 C ATOM 452 CD1 ILE A 46 -6.216 8.397 1.233 1.00 72.03 C ATOM 453 H ILE A 46 -8.951 10.017 -0.860 1.00 0.00 H ATOM 454 N ILE A 47 -10.072 11.892 1.945 1.00 60.12 N ATOM 455 CA ILE A 47 -10.717 12.992 2.651 1.00 44.11 C ATOM 456 C ILE A 47 -12.173 13.142 2.223 1.00 24.11 C ATOM 457 O ILE A 47 -13.065 13.283 3.060 1.00 44.25 O ATOM 458 CB ILE A 47 -9.982 14.324 2.408 1.00 33.11 C ATOM 459 CG1 ILE A 47 -8.564 14.260 2.978 1.00 44.44 C ATOM 460 CG2 ILE A 47 -10.757 15.477 3.029 1.00 60.30 C ATOM 461 CD1 ILE A 47 -8.521 13.973 4.462 1.00 64.30 C ATOM 462 H ILE A 47 -9.134 12.041 1.522 1.00 0.00 H ATOM 463 N SER A 48 -12.406 13.108 0.915 1.00 42.30 N ATOM 464 CA SER A 48 -13.754 13.242 0.375 1.00 3.31 C ATOM 465 C SER A 48 -14.671 12.157 0.929 1.00 32.43 C ATOM 466 O SER A 48 -15.808 12.427 1.320 1.00 4.40 O ATOM 467 CB SER A 48 -13.724 13.170 -1.153 1.00 25.43 C ATOM 468 OG SER A 48 -12.995 14.255 -1.701 1.00 31.53 O ATOM 469 HG SER A 48 -12.064 14.230 -1.364 1.00 0.00 H ATOM 470 H SER A 48 -11.607 12.983 0.261 1.00 0.00 H ATOM 471 N LEU A 49 -14.170 10.927 0.960 1.00 32.31 N ATOM 472 CA LEU A 49 -14.944 9.798 1.466 1.00 5.03 C ATOM 473 C LEU A 49 -15.411 10.055 2.895 1.00 1.32 C ATOM 474 O LEU A 49 -16.607 10.194 3.152 1.00 73.22 O ATOM 475 CB LEU A 49 -14.108 8.518 1.413 1.00 33.45 C ATOM 476 CG LEU A 49 -14.880 7.206 1.564 1.00 10.13 C ATOM 477 CD1 LEU A 49 -15.731 6.943 0.332 1.00 55.11 C ATOM 478 CD2 LEU A 49 -13.923 6.049 1.810 1.00 4.21 C ATOM 479 H LEU A 49 -13.202 10.765 0.615 1.00 0.00 H ATOM 480 N ILE A 50 -14.460 10.120 3.821 1.00 62.03 N ATOM 481 CA ILE A 50 -14.774 10.364 5.223 1.00 52.21 C ATOM 482 C ILE A 50 -15.745 11.530 5.373 1.00 12.35 C ATOM 483 O ILE A 50 -16.724 11.444 6.116 1.00 5.44 O ATOM 484 CB ILE A 50 -13.504 10.660 6.042 1.00 63.34 C ATOM 485 CG1 ILE A 50 -12.653 11.720 5.339 1.00 13.22 C ATOM 486 CG2 ILE A 50 -12.701 9.385 6.253 1.00 34.53 C ATOM 487 CD1 ILE A 50 -11.323 11.971 6.013 1.00 4.33 C ATOM 488 H ILE A 50 -13.467 9.994 3.538 1.00 0.00 H ATOM 489 N ILE A 51 -15.469 12.618 4.663 1.00 52.43 N ATOM 490 CA ILE A 51 -16.320 13.801 4.715 1.00 30.31 C ATOM 491 C ILE A 51 -17.765 13.454 4.372 1.00 43.05 C ATOM 492 O ILE A 51 -18.677 13.694 5.163 1.00 4.01 O ATOM 493 CB ILE A 51 -15.823 14.895 3.752 1.00 74.13 C ATOM 494 CG1 ILE A 51 -14.578 15.579 4.320 1.00 31.50 C ATOM 495 CG2 ILE A 51 -16.923 15.914 3.496 1.00 55.15 C ATOM 496 CD1 ILE A 51 -13.949 16.574 3.371 1.00 53.41 C ATOM 497 H ILE A 51 -14.625 12.626 4.055 1.00 0.00 H ATOM 498 N ASP A 52 -17.965 12.887 3.187 1.00 34.22 N ATOM 499 CA ASP A 52 -19.299 12.504 2.739 1.00 32.41 C ATOM 500 C ASP A 52 -19.959 11.560 3.740 1.00 5.02 C ATOM 501 O ASP A 52 -21.118 11.744 4.112 1.00 42.51 O ATOM 502 CB ASP A 52 -19.227 11.838 1.364 1.00 40.53 C ATOM 503 CG ASP A 52 -20.127 12.512 0.347 1.00 41.53 C ATOM 504 OD1 ASP A 52 -20.248 13.755 0.392 1.00 32.24 O ATOM 505 OD2 ASP A 52 -20.709 11.798 -0.495 1.00 72.24 O ATOM 506 H ASP A 52 -17.151 12.712 2.564 1.00 0.00 H ATOM 507 N TYR A 53 -19.213 10.549 4.172 1.00 60.13 N ATOM 508 CA TYR A 53 -19.726 9.574 5.127 1.00 51.11 C ATOM 509 C TYR A 53 -20.334 10.269 6.342 1.00 43.35 C ATOM 510 O TYR A 53 -21.374 9.855 6.852 1.00 55.02 O ATOM 511 CB TYR A 53 -18.609 8.629 5.572 1.00 33.52 C ATOM 512 CG TYR A 53 -19.016 7.694 6.689 1.00 15.11 C ATOM 513 CD1 TYR A 53 -19.214 8.167 7.980 1.00 0.33 C ATOM 514 CD2 TYR A 53 -19.205 6.338 6.453 1.00 63.15 C ATOM 515 CE1 TYR A 53 -19.585 7.317 9.004 1.00 72.03 C ATOM 516 CE2 TYR A 53 -19.577 5.480 7.470 1.00 54.44 C ATOM 517 CZ TYR A 53 -19.766 5.975 8.743 1.00 21.44 C ATOM 518 OH TYR A 53 -20.137 5.124 9.760 1.00 51.51 O ATOM 519 HH TYR A 53 -20.229 5.638 10.601 1.00 0.00 H ATOM 520 H TYR A 53 -18.239 10.451 3.820 1.00 0.00 H ATOM 521 N SER A 54 -19.676 11.330 6.799 1.00 65.40 N ATOM 522 CA SER A 54 -20.148 12.082 7.955 1.00 24.05 C ATOM 523 C SER A 54 -21.474 12.772 7.650 1.00 21.54 C ATOM 524 O SER A 54 -22.518 12.397 8.185 1.00 1.50 O ATOM 525 CB SER A 54 -19.105 13.120 8.376 1.00 70.34 C ATOM 526 OG SER A 54 -19.253 13.467 9.741 1.00 1.24 O ATOM 527 HG SER A 54 -18.568 14.138 9.986 1.00 0.00 H ATOM 528 H SER A 54 -18.803 11.631 6.320 1.00 0.00 H ATOM 529 N ARG A 55 -21.424 13.781 6.787 1.00 20.13 N ATOM 530 CA ARG A 55 -22.620 14.524 6.411 1.00 13.42 C ATOM 531 C ARG A 55 -23.698 13.586 5.877 1.00 73.21 C ATOM 532 O ARG A 55 -24.886 13.913 5.894 1.00 43.12 O ATOM 533 CB ARG A 55 -22.280 15.580 5.358 1.00 53.14 C ATOM 534 CG ARG A 55 -21.517 15.027 4.165 1.00 31.12 C ATOM 535 CD ARG A 55 -22.457 14.425 3.133 1.00 72.23 C ATOM 536 NE ARG A 55 -22.346 15.091 1.838 1.00 74.44 N ATOM 537 CZ ARG A 55 -23.282 15.027 0.896 1.00 2.54 C ATOM 538 NH1 ARG A 55 -24.392 14.333 1.106 1.00 65.25 N ATOM 539 NH2 ARG A 55 -23.108 15.661 -0.257 1.00 32.33 N ATOM 540 HE ARG A 55 -21.488 15.645 1.642 1.00 0.00 H ATOM 541 HH12 ARG A 55 -25.123 14.285 0.367 1.00 0.00 H ATOM 542 HH11 ARG A 55 -24.532 13.837 2.009 1.00 0.00 H ATOM 543 HH22 ARG A 55 -23.840 15.611 -0.994 1.00 0.00 H ATOM 544 HH21 ARG A 55 -22.239 16.208 -0.424 1.00 0.00 H ATOM 545 H ARG A 55 -20.509 14.047 6.370 1.00 0.00 H ATOM 546 N LEU A 56 -23.277 12.419 5.403 1.00 61.41 N ATOM 547 CA LEU A 56 -24.206 11.432 4.863 1.00 62.12 C ATOM 548 C LEU A 56 -25.343 11.162 5.842 1.00 34.43 C ATOM 549 O LEU A 56 -26.454 11.668 5.675 1.00 64.23 O ATOM 550 CB LEU A 56 -23.470 10.129 4.546 1.00 24.14 C ATOM 551 CG LEU A 56 -23.152 9.878 3.072 1.00 54.23 C ATOM 552 CD1 LEU A 56 -22.456 8.538 2.896 1.00 62.11 C ATOM 553 CD2 LEU A 56 -24.423 9.935 2.236 1.00 62.21 C ATOM 554 H LEU A 56 -22.260 12.203 5.417 1.00 0.00 H ATOM 555 N CYS A 57 -25.059 10.363 6.865 1.00 11.11 N ATOM 556 CA CYS A 57 -26.058 10.027 7.873 1.00 32.41 C ATOM 557 C CYS A 57 -26.042 11.039 9.014 1.00 62.20 C ATOM 558 O CYS A 57 -25.144 11.874 9.122 1.00 12.44 O ATOM 559 CB CYS A 57 -25.808 8.620 8.419 1.00 12.23 C ATOM 560 SG CYS A 57 -26.953 7.370 7.790 1.00 23.31 S ATOM 561 H CYS A 57 -24.101 9.968 6.949 1.00 0.00 H ATOM 562 N PRO A 58 -27.059 10.965 9.885 1.00 23.05 N ATOM 563 CA PRO A 58 -27.185 11.868 11.033 1.00 23.03 C ATOM 564 C PRO A 58 -26.125 11.604 12.097 1.00 1.15 C ATOM 565 O PRO A 58 -25.078 11.023 11.813 1.00 24.33 O ATOM 566 CB PRO A 58 -28.580 11.555 11.579 1.00 11.23 C ATOM 567 CG PRO A 58 -28.852 10.157 11.145 1.00 72.55 C ATOM 568 CD PRO A 58 -28.164 9.994 9.818 1.00 63.13 C ATOM 569 N ASP A 59 -26.404 12.035 13.323 1.00 63.51 N ATOM 570 CA ASP A 59 -25.475 11.843 14.430 1.00 5.24 C ATOM 571 C ASP A 59 -24.667 10.562 14.247 1.00 43.22 C ATOM 572 O ASP A 59 -23.440 10.571 14.343 1.00 5.33 O ATOM 573 CB ASP A 59 -26.233 11.797 15.758 1.00 64.10 C ATOM 574 CG ASP A 59 -25.315 11.557 16.941 1.00 41.43 C ATOM 575 OD1 ASP A 59 -24.081 11.613 16.755 1.00 75.53 O ATOM 576 OD2 ASP A 59 -25.830 11.314 18.052 1.00 31.22 O ATOM 577 H ASP A 59 -27.307 12.521 13.497 1.00 0.00 H ATOM 578 N SER A 60 -25.364 9.462 13.983 1.00 63.31 N ATOM 579 CA SER A 60 -24.712 8.172 13.791 1.00 63.43 C ATOM 580 C SER A 60 -23.365 8.342 13.094 1.00 72.12 C ATOM 581 O SER A 60 -22.313 8.293 13.731 1.00 24.41 O ATOM 582 CB SER A 60 -25.608 7.240 12.973 1.00 51.25 C ATOM 583 OG SER A 60 -24.910 6.068 12.589 1.00 52.13 O ATOM 584 HG SER A 60 -25.512 5.484 12.062 1.00 0.00 H ATOM 585 H SER A 60 -26.400 9.523 13.912 1.00 0.00 H ATOM 586 N HIS A 61 -23.407 8.543 11.780 1.00 21.54 N ATOM 587 CA HIS A 61 -22.191 8.721 10.995 1.00 23.13 C ATOM 588 C HIS A 61 -21.401 9.931 11.485 1.00 42.04 C ATOM 589 O HIS A 61 -20.171 9.901 11.544 1.00 34.20 O ATOM 590 CB HIS A 61 -22.534 8.886 9.515 1.00 41.05 C ATOM 591 CG HIS A 61 -22.766 7.588 8.805 1.00 23.40 C ATOM 592 ND1 HIS A 61 -22.325 7.342 7.522 1.00 42.02 N ATOM 593 CD2 HIS A 61 -23.395 6.459 9.207 1.00 31.25 C ATOM 594 CE1 HIS A 61 -22.675 6.119 7.165 1.00 45.11 C ATOM 595 NE2 HIS A 61 -23.325 5.562 8.170 1.00 22.43 N ATOM 596 H HIS A 61 -24.329 8.574 11.301 1.00 0.00 H ATOM 597 N LYS A 62 -22.115 10.996 11.833 1.00 22.15 N ATOM 598 CA LYS A 62 -21.482 12.217 12.318 1.00 20.21 C ATOM 599 C LYS A 62 -20.372 11.896 13.314 1.00 34.15 C ATOM 600 O LYS A 62 -19.202 12.195 13.073 1.00 30.53 O ATOM 601 CB LYS A 62 -22.522 13.129 12.973 1.00 44.43 C ATOM 602 CG LYS A 62 -23.667 13.507 12.049 1.00 31.45 C ATOM 603 CD LYS A 62 -23.537 14.937 11.555 1.00 2.51 C ATOM 604 CE LYS A 62 -23.535 15.004 10.036 1.00 45.15 C ATOM 605 NZ LYS A 62 -22.597 16.044 9.527 1.00 31.43 N ATOM 606 HZ1 LYS A 62 -22.881 16.975 9.894 1.00 0.00 H ATOM 607 HZ2 LYS A 62 -21.632 15.824 9.845 1.00 0.00 H ATOM 608 HZ3 LYS A 62 -22.626 16.057 8.487 1.00 0.00 H ATOM 609 H LYS A 62 -23.152 10.958 11.758 1.00 0.00 H ATOM 610 N LEU A 63 -20.747 11.285 14.433 1.00 2.32 N ATOM 611 CA LEU A 63 -19.783 10.922 15.466 1.00 4.10 C ATOM 612 C LEU A 63 -18.694 10.016 14.900 1.00 2.02 C ATOM 613 O LEU A 63 -17.505 10.313 15.011 1.00 52.24 O ATOM 614 CB LEU A 63 -20.490 10.224 16.629 1.00 61.22 C ATOM 615 CG LEU A 63 -19.594 9.762 17.779 1.00 74.30 C ATOM 616 CD1 LEU A 63 -18.655 10.879 18.206 1.00 65.45 C ATOM 617 CD2 LEU A 63 -20.437 9.293 18.956 1.00 74.11 C ATOM 618 H LEU A 63 -21.752 11.060 14.576 1.00 0.00 H ATOM 619 N GLY A 64 -19.109 8.909 14.291 1.00 11.24 N ATOM 620 CA GLY A 64 -18.157 7.978 13.715 1.00 31.31 C ATOM 621 C GLY A 64 -17.150 8.662 12.812 1.00 12.22 C ATOM 622 O GLY A 64 -15.954 8.676 13.103 1.00 71.32 O ATOM 623 H GLY A 64 -20.127 8.708 14.227 1.00 0.00 H ATOM 624 N SER A 65 -17.634 9.231 11.713 1.00 72.14 N ATOM 625 CA SER A 65 -16.767 9.916 10.761 1.00 30.40 C ATOM 626 C SER A 65 -15.836 10.889 11.477 1.00 0.05 C ATOM 627 O SER A 65 -14.639 10.944 11.194 1.00 25.20 O ATOM 628 CB SER A 65 -17.605 10.664 9.722 1.00 3.15 C ATOM 629 OG SER A 65 -17.139 10.406 8.409 1.00 3.13 O ATOM 630 HG SER A 65 -17.698 10.901 7.759 1.00 0.00 H ATOM 631 H SER A 65 -18.656 9.187 11.527 1.00 0.00 H ATOM 632 N LEU A 66 -16.395 11.656 12.407 1.00 5.02 N ATOM 633 CA LEU A 66 -15.616 12.629 13.166 1.00 63.41 C ATOM 634 C LEU A 66 -14.340 11.997 13.714 1.00 72.42 C ATOM 635 O LEU A 66 -13.239 12.499 13.487 1.00 72.13 O ATOM 636 CB LEU A 66 -16.451 13.196 14.315 1.00 53.24 C ATOM 637 CG LEU A 66 -16.834 14.672 14.201 1.00 42.31 C ATOM 638 CD1 LEU A 66 -17.608 15.119 15.431 1.00 0.41 C ATOM 639 CD2 LEU A 66 -15.593 15.531 14.008 1.00 3.51 C ATOM 640 H LEU A 66 -17.413 11.561 12.599 1.00 0.00 H ATOM 641 N TYR A 67 -14.496 10.892 14.434 1.00 31.51 N ATOM 642 CA TYR A 67 -13.357 10.190 15.015 1.00 50.54 C ATOM 643 C TYR A 67 -12.342 9.816 13.939 1.00 1.20 C ATOM 644 O TYR A 67 -11.139 10.021 14.107 1.00 53.02 O ATOM 645 CB TYR A 67 -13.826 8.933 15.749 1.00 5.21 C ATOM 646 CG TYR A 67 -14.489 9.220 17.077 1.00 20.42 C ATOM 647 CD1 TYR A 67 -13.992 10.200 17.927 1.00 2.11 C ATOM 648 CD2 TYR A 67 -15.612 8.509 17.483 1.00 40.31 C ATOM 649 CE1 TYR A 67 -14.594 10.465 19.142 1.00 71.12 C ATOM 650 CE2 TYR A 67 -16.222 8.768 18.695 1.00 4.31 C ATOM 651 CZ TYR A 67 -15.709 9.747 19.521 1.00 21.21 C ATOM 652 OH TYR A 67 -16.313 10.007 20.730 1.00 25.21 O ATOM 653 HH TYR A 67 -15.823 10.732 21.193 1.00 0.00 H ATOM 654 H TYR A 67 -15.454 10.518 14.587 1.00 0.00 H ATOM 655 N ILE A 68 -12.836 9.267 12.834 1.00 4.14 N ATOM 656 CA ILE A 68 -11.973 8.866 11.730 1.00 20.31 C ATOM 657 C ILE A 68 -11.141 10.041 11.227 1.00 31.52 C ATOM 658 O ILE A 68 -9.915 9.959 11.152 1.00 23.33 O ATOM 659 CB ILE A 68 -12.790 8.290 10.558 1.00 2.50 C ATOM 660 CG1 ILE A 68 -13.408 6.947 10.950 1.00 72.13 C ATOM 661 CG2 ILE A 68 -11.911 8.136 9.326 1.00 53.35 C ATOM 662 CD1 ILE A 68 -14.626 6.580 10.130 1.00 2.44 C ATOM 663 H ILE A 68 -13.863 9.120 12.755 1.00 0.00 H ATOM 664 N ILE A 69 -11.816 11.133 10.885 1.00 31.24 N ATOM 665 CA ILE A 69 -11.139 12.326 10.392 1.00 22.35 C ATOM 666 C ILE A 69 -10.108 12.828 11.398 1.00 71.31 C ATOM 667 O ILE A 69 -9.036 13.300 11.020 1.00 41.11 O ATOM 668 CB ILE A 69 -12.139 13.457 10.092 1.00 53.34 C ATOM 669 CG1 ILE A 69 -13.116 13.026 8.996 1.00 71.03 C ATOM 670 CG2 ILE A 69 -11.400 14.723 9.682 1.00 34.41 C ATOM 671 CD1 ILE A 69 -14.560 13.346 9.313 1.00 0.30 C ATOM 672 H ILE A 69 -12.852 11.137 10.971 1.00 0.00 H ATOM 673 N ASP A 70 -10.439 12.720 12.680 1.00 54.41 N ATOM 674 CA ASP A 70 -9.541 13.161 13.741 1.00 34.32 C ATOM 675 C ASP A 70 -8.182 12.478 13.621 1.00 52.52 C ATOM 676 O ASP A 70 -7.149 13.142 13.535 1.00 21.04 O ATOM 677 CB ASP A 70 -10.154 12.867 15.111 1.00 21.34 C ATOM 678 CG ASP A 70 -9.105 12.728 16.197 1.00 64.11 C ATOM 679 OD1 ASP A 70 -8.720 13.760 16.786 1.00 21.32 O ATOM 680 OD2 ASP A 70 -8.669 11.587 16.458 1.00 42.24 O ATOM 681 H ASP A 70 -11.361 12.311 12.933 1.00 0.00 H ATOM 682 N SER A 71 -8.191 11.149 13.616 1.00 53.33 N ATOM 683 CA SER A 71 -6.959 10.377 13.511 1.00 61.11 C ATOM 684 C SER A 71 -6.174 10.773 12.264 1.00 3.33 C ATOM 685 O SER A 71 -5.003 11.146 12.347 1.00 11.25 O ATOM 686 CB SER A 71 -7.272 8.880 13.476 1.00 61.22 C ATOM 687 OG SER A 71 -6.333 8.144 14.242 1.00 53.44 O ATOM 688 HG SER A 71 -6.362 8.452 15.182 1.00 0.00 H ATOM 689 H SER A 71 -9.099 10.648 13.689 1.00 0.00 H ATOM 690 N ILE A 72 -6.827 10.689 11.110 1.00 3.51 N ATOM 691 CA ILE A 72 -6.191 11.040 9.846 1.00 1.12 C ATOM 692 C ILE A 72 -5.628 12.457 9.888 1.00 23.55 C ATOM 693 O ILE A 72 -4.488 12.695 9.492 1.00 24.43 O ATOM 694 CB ILE A 72 -7.178 10.927 8.669 1.00 22.02 C ATOM 695 CG1 ILE A 72 -7.625 9.475 8.488 1.00 14.13 C ATOM 696 CG2 ILE A 72 -6.541 11.454 7.392 1.00 72.22 C ATOM 697 CD1 ILE A 72 -8.667 9.294 7.407 1.00 53.33 C ATOM 698 H ILE A 72 -7.815 10.365 11.108 1.00 0.00 H ATOM 699 N GLY A 73 -6.435 13.395 10.374 1.00 74.32 N ATOM 700 CA GLY A 73 -6.000 14.776 10.461 1.00 43.21 C ATOM 701 C GLY A 73 -4.698 14.927 11.222 1.00 25.51 C ATOM 702 O GLY A 73 -3.728 15.479 10.703 1.00 65.10 O ATOM 703 H GLY A 73 -7.389 13.136 10.696 1.00 0.00 H ATOM 704 N ARG A 74 -4.676 14.435 12.457 1.00 43.51 N ATOM 705 CA ARG A 74 -3.484 14.521 13.292 1.00 23.40 C ATOM 706 C ARG A 74 -2.258 14.002 12.545 1.00 14.00 C ATOM 707 O ARG A 74 -1.270 14.717 12.381 1.00 14.22 O ATOM 708 CB ARG A 74 -3.682 13.725 14.583 1.00 22.43 C ATOM 709 CG ARG A 74 -4.784 14.274 15.474 1.00 32.51 C ATOM 710 CD ARG A 74 -4.537 13.938 16.937 1.00 53.33 C ATOM 711 NE ARG A 74 -5.327 12.791 17.376 1.00 11.12 N ATOM 712 CZ ARG A 74 -4.934 11.530 17.233 1.00 12.31 C ATOM 713 NH1 ARG A 74 -3.768 11.256 16.666 1.00 44.32 N ATOM 714 NH2 ARG A 74 -5.709 10.540 17.659 1.00 43.43 N ATOM 715 HE ARG A 74 -6.248 12.971 17.825 1.00 0.00 H ATOM 716 HH12 ARG A 74 -3.463 10.268 16.555 1.00 0.00 H ATOM 717 HH11 ARG A 74 -3.158 12.029 16.332 1.00 0.00 H ATOM 718 HH22 ARG A 74 -5.401 9.553 17.547 1.00 0.00 H ATOM 719 HH21 ARG A 74 -6.624 10.751 18.105 1.00 0.00 H ATOM 720 H ARG A 74 -5.530 13.978 12.836 1.00 0.00 H ATOM 721 N ALA A 75 -2.331 12.754 12.095 1.00 63.31 N ATOM 722 CA ALA A 75 -1.229 12.140 11.364 1.00 24.04 C ATOM 723 C ALA A 75 -0.841 12.977 10.150 1.00 10.34 C ATOM 724 O ALA A 75 0.312 13.386 10.009 1.00 54.34 O ATOM 725 CB ALA A 75 -1.600 10.728 10.937 1.00 32.22 C ATOM 726 H ALA A 75 -3.195 12.202 12.268 1.00 0.00 H ATOM 727 N TYR A 76 -1.810 13.228 9.277 1.00 41.11 N ATOM 728 CA TYR A 76 -1.569 14.014 8.073 1.00 42.21 C ATOM 729 C TYR A 76 -0.851 15.318 8.408 1.00 14.22 C ATOM 730 O TYR A 76 0.181 15.642 7.820 1.00 41.03 O ATOM 731 CB TYR A 76 -2.889 14.314 7.361 1.00 32.13 C ATOM 732 CG TYR A 76 -3.233 13.317 6.277 1.00 3.33 C ATOM 733 CD1 TYR A 76 -2.814 11.996 6.363 1.00 24.51 C ATOM 734 CD2 TYR A 76 -3.977 13.698 5.168 1.00 74.35 C ATOM 735 CE1 TYR A 76 -3.125 11.082 5.375 1.00 44.04 C ATOM 736 CE2 TYR A 76 -4.294 12.791 4.175 1.00 73.41 C ATOM 737 CZ TYR A 76 -3.865 11.484 4.283 1.00 52.22 C ATOM 738 OH TYR A 76 -4.178 10.577 3.297 1.00 73.13 O ATOM 739 HH TYR A 76 -3.796 9.694 3.530 1.00 0.00 H ATOM 740 H TYR A 76 -2.764 12.855 9.457 1.00 0.00 H ATOM 741 N LEU A 77 -1.406 16.063 9.358 1.00 24.04 N ATOM 742 CA LEU A 77 -0.820 17.333 9.775 1.00 63.54 C ATOM 743 C LEU A 77 0.665 17.172 10.083 1.00 65.12 C ATOM 744 O LEU A 77 1.507 17.866 9.512 1.00 53.31 O ATOM 745 CB LEU A 77 -1.551 17.876 11.003 1.00 33.13 C ATOM 746 CG LEU A 77 -1.037 19.205 11.557 1.00 13.21 C ATOM 747 CD1 LEU A 77 -1.809 20.369 10.954 1.00 63.22 C ATOM 748 CD2 LEU A 77 -1.139 19.226 13.075 1.00 20.53 C ATOM 749 H LEU A 77 -2.280 15.733 9.816 1.00 0.00 H ATOM 750 N ASP A 78 0.980 16.251 10.987 1.00 65.01 N ATOM 751 CA ASP A 78 2.365 15.996 11.369 1.00 53.34 C ATOM 752 C ASP A 78 3.217 15.679 10.144 1.00 53.14 C ATOM 753 O ASP A 78 4.336 16.173 10.010 1.00 54.11 O ATOM 754 CB ASP A 78 2.436 14.841 12.368 1.00 21.31 C ATOM 755 CG ASP A 78 2.982 15.273 13.715 1.00 64.14 C ATOM 756 OD1 ASP A 78 2.628 16.380 14.172 1.00 72.13 O ATOM 757 OD2 ASP A 78 3.764 14.504 14.312 1.00 72.31 O ATOM 758 H ASP A 78 0.221 15.698 11.433 1.00 0.00 H ATOM 759 N GLU A 79 2.679 14.851 9.253 1.00 0.03 N ATOM 760 CA GLU A 79 3.392 14.467 8.041 1.00 73.14 C ATOM 761 C GLU A 79 3.806 15.698 7.240 1.00 42.10 C ATOM 762 O GLU A 79 4.991 16.019 7.141 1.00 50.31 O ATOM 763 CB GLU A 79 2.519 13.554 7.177 1.00 20.42 C ATOM 764 CG GLU A 79 2.610 12.086 7.560 1.00 74.24 C ATOM 765 CD GLU A 79 3.885 11.432 7.065 1.00 70.31 C ATOM 766 OE1 GLU A 79 4.819 12.168 6.683 1.00 21.24 O ATOM 767 OE2 GLU A 79 3.949 10.185 7.059 1.00 61.32 O ATOM 768 H GLU A 79 1.727 14.469 9.425 1.00 0.00 H ATOM 769 N THR A 80 2.821 16.385 6.669 1.00 62.41 N ATOM 770 CA THR A 80 3.082 17.579 5.875 1.00 21.05 C ATOM 771 C THR A 80 3.882 18.604 6.671 1.00 21.24 C ATOM 772 O THR A 80 4.800 19.233 6.145 1.00 13.50 O ATOM 773 CB THR A 80 1.772 18.230 5.393 1.00 61.24 C ATOM 774 OG1 THR A 80 2.057 19.454 4.706 1.00 62.40 O ATOM 775 CG2 THR A 80 0.841 18.504 6.564 1.00 54.55 C ATOM 776 HG1 THR A 80 2.523 20.075 5.320 1.00 0.00 H ATOM 777 H THR A 80 1.840 16.062 6.792 1.00 0.00 H ATOM 778 N ARG A 81 3.529 18.766 7.942 1.00 31.23 N ATOM 779 CA ARG A 81 4.214 19.715 8.811 1.00 44.33 C ATOM 780 C ARG A 81 5.717 19.450 8.828 1.00 71.24 C ATOM 781 O ARG A 81 6.522 20.381 8.812 1.00 21.21 O ATOM 782 CB ARG A 81 3.655 19.634 10.232 1.00 3.34 C ATOM 783 CG ARG A 81 4.316 20.600 11.203 1.00 50.15 C ATOM 784 CD ARG A 81 3.784 22.014 11.030 1.00 41.22 C ATOM 785 NE ARG A 81 4.433 22.957 11.937 1.00 53.54 N ATOM 786 CZ ARG A 81 4.334 24.277 11.818 1.00 21.12 C ATOM 787 NH1 ARG A 81 3.617 24.806 10.837 1.00 74.02 N ATOM 788 NH2 ARG A 81 4.954 25.070 12.683 1.00 34.01 N ATOM 789 HE ARG A 81 5.003 22.575 12.718 1.00 0.00 H ATOM 790 HH12 ARG A 81 3.542 25.839 10.747 1.00 0.00 H ATOM 791 HH11 ARG A 81 3.130 24.188 10.157 1.00 0.00 H ATOM 792 HH22 ARG A 81 4.876 26.103 12.590 1.00 0.00 H ATOM 793 HH21 ARG A 81 5.517 24.659 13.454 1.00 0.00 H ATOM 794 H ARG A 81 2.744 18.202 8.326 1.00 0.00 H ATOM 795 N SER A 82 6.087 18.174 8.860 1.00 32.51 N ATOM 796 CA SER A 82 7.492 17.785 8.884 1.00 42.34 C ATOM 797 C SER A 82 8.264 18.469 7.759 1.00 55.02 C ATOM 798 O SER A 82 9.458 18.736 7.884 1.00 52.23 O ATOM 799 CB SER A 82 7.626 16.266 8.759 1.00 12.40 C ATOM 800 OG SER A 82 6.910 15.605 9.788 1.00 53.42 O ATOM 801 HG SER A 82 5.951 15.845 9.728 1.00 0.00 H ATOM 802 H SER A 82 5.356 17.434 8.868 1.00 0.00 H ATOM 803 N ASN A 83 7.571 18.749 6.660 1.00 55.12 N ATOM 804 CA ASN A 83 8.189 19.401 5.511 1.00 4.24 C ATOM 805 C ASN A 83 7.721 20.848 5.390 1.00 43.21 C ATOM 806 O ASN A 83 8.464 21.780 5.700 1.00 34.33 O ATOM 807 CB ASN A 83 7.861 18.638 4.227 1.00 61.42 C ATOM 808 CG ASN A 83 8.562 17.295 4.157 1.00 23.21 C ATOM 809 OD1 ASN A 83 9.777 17.207 4.334 1.00 65.31 O ATOM 810 ND2 ASN A 83 7.797 16.241 3.898 1.00 23.31 N ATOM 811 HD22 ASN A 83 6.774 16.363 3.755 1.00 0.00 H ATOM 812 HD21 ASN A 83 8.221 15.293 3.838 1.00 0.00 H ATOM 813 H ASN A 83 6.563 18.497 6.618 1.00 0.00 H ATOM 814 N SER A 84 6.485 21.028 4.937 1.00 52.33 N ATOM 815 CA SER A 84 5.918 22.362 4.771 1.00 60.41 C ATOM 816 C SER A 84 4.465 22.281 4.312 1.00 43.23 C ATOM 817 O SER A 84 4.176 21.819 3.209 1.00 65.02 O ATOM 818 CB SER A 84 6.740 23.166 3.762 1.00 11.42 C ATOM 819 OG SER A 84 7.277 22.326 2.756 1.00 62.21 O ATOM 820 HG SER A 84 6.538 21.875 2.275 1.00 0.00 H ATOM 821 H SER A 84 5.908 20.198 4.695 1.00 0.00 H ATOM 822 N ASN A 85 3.555 22.735 5.167 1.00 31.11 N ATOM 823 CA ASN A 85 2.131 22.714 4.850 1.00 4.35 C ATOM 824 C ASN A 85 1.750 23.909 3.982 1.00 51.21 C ATOM 825 O ASN A 85 1.619 25.030 4.473 1.00 12.13 O ATOM 826 CB ASN A 85 1.302 22.718 6.136 1.00 13.40 C ATOM 827 CG ASN A 85 1.677 23.858 7.063 1.00 44.30 C ATOM 828 OD1 ASN A 85 2.767 23.873 7.637 1.00 54.54 O ATOM 829 ND2 ASN A 85 0.774 24.820 7.214 1.00 43.12 N ATOM 830 HD22 ASN A 85 -0.133 24.765 6.709 1.00 0.00 H ATOM 831 HD21 ASN A 85 0.974 25.628 7.837 1.00 0.00 H ATOM 832 H ASN A 85 3.865 23.114 6.084 1.00 0.00 H ATOM 833 N SER A 86 1.573 23.661 2.688 1.00 34.22 N ATOM 834 CA SER A 86 1.209 24.716 1.750 1.00 1.31 C ATOM 835 C SER A 86 0.197 24.209 0.727 1.00 3.10 C ATOM 836 O SER A 86 0.270 23.064 0.281 1.00 51.22 O ATOM 837 CB SER A 86 2.455 25.243 1.035 1.00 73.14 C ATOM 838 OG SER A 86 3.409 24.212 0.847 1.00 1.41 O ATOM 839 HG SER A 86 3.678 23.849 1.728 1.00 0.00 H ATOM 840 H SER A 86 1.697 22.690 2.336 1.00 0.00 H ATOM 841 N SER A 87 -0.746 25.070 0.360 1.00 52.40 N ATOM 842 CA SER A 87 -1.776 24.710 -0.607 1.00 61.25 C ATOM 843 C SER A 87 -2.557 25.942 -1.054 1.00 61.13 C ATOM 844 O SER A 87 -2.372 27.035 -0.520 1.00 10.23 O ATOM 845 CB SER A 87 -2.731 23.677 -0.006 1.00 70.13 C ATOM 846 OG SER A 87 -3.895 24.299 0.511 1.00 63.40 O ATOM 847 HG SER A 87 -4.494 23.610 0.893 1.00 0.00 H ATOM 848 H SER A 87 -0.749 26.025 0.773 1.00 0.00 H ATOM 849 N SER A 88 -3.431 25.756 -2.039 1.00 4.14 N ATOM 850 CA SER A 88 -4.238 26.852 -2.561 1.00 41.32 C ATOM 851 C SER A 88 -5.669 26.395 -2.827 1.00 21.45 C ATOM 852 O SER A 88 -6.613 26.880 -2.205 1.00 3.33 O ATOM 853 CB SER A 88 -3.619 27.401 -3.848 1.00 61.13 C ATOM 854 OG SER A 88 -2.634 28.379 -3.564 1.00 12.42 O ATOM 855 HG SER A 88 -2.251 28.716 -4.412 1.00 0.00 H ATOM 856 H SER A 88 -3.541 24.806 -2.447 1.00 0.00 H ATOM 857 N ASN A 89 -5.821 25.456 -3.755 1.00 43.02 N ATOM 858 CA ASN A 89 -7.136 24.932 -4.105 1.00 12.15 C ATOM 859 C ASN A 89 -7.027 23.516 -4.661 1.00 73.31 C ATOM 860 O ASN A 89 -5.976 23.111 -5.158 1.00 31.31 O ATOM 861 CB ASN A 89 -7.816 25.844 -5.128 1.00 62.43 C ATOM 862 CG ASN A 89 -8.414 27.083 -4.492 1.00 34.15 C ATOM 863 OD1 ASN A 89 -8.089 28.208 -4.871 1.00 0.13 O ATOM 864 ND2 ASN A 89 -9.295 26.881 -3.518 1.00 4.22 N ATOM 865 HD22 ASN A 89 -9.539 25.912 -3.231 1.00 0.00 H ATOM 866 HD21 ASN A 89 -9.740 27.692 -3.043 1.00 0.00 H ATOM 867 H ASN A 89 -4.981 25.086 -4.244 1.00 0.00 H ATOM 868 N LYS A 90 -8.121 22.767 -4.575 1.00 73.42 N ATOM 869 CA LYS A 90 -8.151 21.396 -5.071 1.00 75.24 C ATOM 870 C LYS A 90 -7.192 20.510 -4.282 1.00 54.32 C ATOM 871 O LYS A 90 -6.201 20.975 -3.719 1.00 52.30 O ATOM 872 CB LYS A 90 -7.788 21.362 -6.558 1.00 32.54 C ATOM 873 CG LYS A 90 -8.474 22.441 -7.376 1.00 52.25 C ATOM 874 CD LYS A 90 -9.987 22.312 -7.313 1.00 41.43 C ATOM 875 CE LYS A 90 -10.660 23.085 -8.437 1.00 45.44 C ATOM 876 NZ LYS A 90 -12.081 22.678 -8.618 1.00 4.34 N ATOM 877 HZ1 LYS A 90 -12.123 21.665 -8.848 1.00 0.00 H ATOM 878 HZ2 LYS A 90 -12.606 22.857 -7.739 1.00 0.00 H ATOM 879 HZ3 LYS A 90 -12.502 23.229 -9.393 1.00 0.00 H ATOM 880 H LYS A 90 -8.978 23.169 -4.143 1.00 0.00 H ATOM 881 N PRO A 91 -7.491 19.203 -4.240 1.00 50.43 N ATOM 882 CA PRO A 91 -6.666 18.225 -3.525 1.00 11.43 C ATOM 883 C PRO A 91 -5.320 17.996 -4.203 1.00 4.23 C ATOM 884 O PRO A 91 -5.060 18.524 -5.283 1.00 62.02 O ATOM 885 CB PRO A 91 -7.511 16.950 -3.568 1.00 63.41 C ATOM 886 CG PRO A 91 -8.374 17.107 -4.772 1.00 42.31 C ATOM 887 CD PRO A 91 -8.657 18.580 -4.889 1.00 23.43 C ATOM 888 N GLY A 92 -4.466 17.205 -3.561 1.00 23.44 N ATOM 889 CA GLY A 92 -3.156 16.919 -4.117 1.00 53.43 C ATOM 890 C GLY A 92 -2.272 16.151 -3.155 1.00 50.13 C ATOM 891 O GLY A 92 -1.549 15.238 -3.557 1.00 54.41 O ATOM 892 H GLY A 92 -4.740 16.786 -2.649 1.00 0.00 H ATOM 893 N THR A 93 -2.327 16.521 -1.879 1.00 45.25 N ATOM 894 CA THR A 93 -1.523 15.863 -0.858 1.00 25.23 C ATOM 895 C THR A 93 -2.004 16.230 0.542 1.00 65.15 C ATOM 896 O THR A 93 -3.025 16.899 0.701 1.00 1.33 O ATOM 897 CB THR A 93 -0.033 16.233 -0.990 1.00 32.03 C ATOM 898 OG1 THR A 93 0.101 17.493 -1.656 1.00 42.22 O ATOM 899 CG2 THR A 93 0.724 15.162 -1.761 1.00 2.52 C ATOM 900 HG1 THR A 93 1.061 17.722 -1.736 1.00 0.00 H ATOM 901 H THR A 93 -2.959 17.299 -1.603 1.00 0.00 H ATOM 902 N CYS A 94 -1.262 15.789 1.551 1.00 31.34 N ATOM 903 CA CYS A 94 -1.614 16.071 2.939 1.00 43.24 C ATOM 904 C CYS A 94 -2.072 17.517 3.100 1.00 45.13 C ATOM 905 O CYS A 94 -3.153 17.781 3.625 1.00 44.42 O ATOM 906 CB CYS A 94 -0.421 15.796 3.855 1.00 4.21 C ATOM 907 SG CYS A 94 -0.416 14.142 4.585 1.00 71.24 S ATOM 908 H CYS A 94 -0.410 15.229 1.347 1.00 0.00 H ATOM 909 N ALA A 95 -1.240 18.450 2.646 1.00 74.42 N ATOM 910 CA ALA A 95 -1.560 19.869 2.739 1.00 20.33 C ATOM 911 C ALA A 95 -2.985 20.143 2.270 1.00 64.33 C ATOM 912 O ALA A 95 -3.834 20.576 3.050 1.00 63.45 O ATOM 913 CB ALA A 95 -0.568 20.688 1.927 1.00 23.31 C ATOM 914 H ALA A 95 -0.339 18.160 2.214 1.00 0.00 H ATOM 915 N HIS A 96 -3.240 19.889 0.990 1.00 33.42 N ATOM 916 CA HIS A 96 -4.563 20.108 0.417 1.00 53.34 C ATOM 917 C HIS A 96 -5.635 19.394 1.234 1.00 13.34 C ATOM 918 O HIS A 96 -6.739 19.909 1.413 1.00 4.22 O ATOM 919 CB HIS A 96 -4.602 19.621 -1.032 1.00 64.01 C ATOM 920 CG HIS A 96 -3.508 20.189 -1.884 1.00 74.21 C ATOM 921 ND1 HIS A 96 -3.660 21.333 -2.638 1.00 45.32 N ATOM 922 CD2 HIS A 96 -2.241 19.764 -2.097 1.00 71.05 C ATOM 923 CE1 HIS A 96 -2.533 21.587 -3.280 1.00 30.10 C ATOM 924 NE2 HIS A 96 -1.656 20.650 -2.969 1.00 20.34 N ATOM 925 H HIS A 96 -2.478 19.525 0.383 1.00 0.00 H ATOM 926 N ALA A 97 -5.303 18.206 1.728 1.00 61.14 N ATOM 927 CA ALA A 97 -6.237 17.422 2.527 1.00 5.30 C ATOM 928 C ALA A 97 -6.742 18.223 3.723 1.00 63.33 C ATOM 929 O ALA A 97 -7.939 18.485 3.845 1.00 64.21 O ATOM 930 CB ALA A 97 -5.578 16.132 2.993 1.00 15.12 C ATOM 931 H ALA A 97 -4.353 17.826 1.540 1.00 0.00 H ATOM 932 N ILE A 98 -5.823 18.607 4.602 1.00 42.40 N ATOM 933 CA ILE A 98 -6.176 19.378 5.788 1.00 51.24 C ATOM 934 C ILE A 98 -6.976 20.622 5.416 1.00 13.12 C ATOM 935 O ILE A 98 -7.992 20.928 6.039 1.00 31.31 O ATOM 936 CB ILE A 98 -4.924 19.804 6.576 1.00 24.23 C ATOM 937 CG1 ILE A 98 -4.135 18.572 7.027 1.00 13.42 C ATOM 938 CG2 ILE A 98 -5.316 20.656 7.774 1.00 71.11 C ATOM 939 CD1 ILE A 98 -2.639 18.790 7.055 1.00 23.11 C ATOM 940 H ILE A 98 -4.828 18.352 4.440 1.00 0.00 H ATOM 941 N ASN A 99 -6.511 21.335 4.395 1.00 15.15 N ATOM 942 CA ASN A 99 -7.185 22.546 3.939 1.00 23.15 C ATOM 943 C ASN A 99 -8.640 22.258 3.583 1.00 21.21 C ATOM 944 O ASN A 99 -9.552 22.945 4.045 1.00 70.44 O ATOM 945 CB ASN A 99 -6.458 23.133 2.728 1.00 42.01 C ATOM 946 CG ASN A 99 -5.281 24.003 3.125 1.00 13.44 C ATOM 947 OD1 ASN A 99 -5.419 25.216 3.288 1.00 61.02 O ATOM 948 ND2 ASN A 99 -4.116 23.387 3.284 1.00 71.52 N ATOM 949 HD22 ASN A 99 -4.046 22.360 3.136 1.00 0.00 H ATOM 950 HD21 ASN A 99 -3.273 23.931 3.557 1.00 0.00 H ATOM 951 H ASN A 99 -5.646 21.022 3.910 1.00 0.00 H ATOM 952 N THR A 100 -8.851 21.236 2.759 1.00 44.22 N ATOM 953 CA THR A 100 -10.194 20.857 2.340 1.00 61.23 C ATOM 954 C THR A 100 -11.093 20.597 3.543 1.00 24.03 C ATOM 955 O THR A 100 -12.189 21.149 3.643 1.00 74.42 O ATOM 956 CB THR A 100 -10.171 19.600 1.450 1.00 62.23 C ATOM 957 OG1 THR A 100 -9.549 19.899 0.195 1.00 0.30 O ATOM 958 CG2 THR A 100 -11.580 19.079 1.212 1.00 52.45 C ATOM 959 HG1 THR A 100 -8.620 20.204 0.353 1.00 0.00 H ATOM 960 H THR A 100 -8.037 20.694 2.405 1.00 0.00 H ATOM 961 N LEU A 101 -10.622 19.755 4.456 1.00 23.32 N ATOM 962 CA LEU A 101 -11.383 19.422 5.655 1.00 11.03 C ATOM 963 C LEU A 101 -11.789 20.684 6.410 1.00 75.22 C ATOM 964 O LEU A 101 -12.962 20.881 6.725 1.00 74.45 O ATOM 965 CB LEU A 101 -10.562 18.510 6.568 1.00 5.34 C ATOM 966 CG LEU A 101 -10.386 17.067 6.094 1.00 1.31 C ATOM 967 CD1 LEU A 101 -9.147 16.447 6.720 1.00 21.45 C ATOM 968 CD2 LEU A 101 -11.622 16.243 6.424 1.00 52.44 C ATOM 969 H LEU A 101 -9.687 19.322 4.312 1.00 0.00 H ATOM 970 N GLY A 102 -10.811 21.538 6.695 1.00 21.44 N ATOM 971 CA GLY A 102 -11.087 22.771 7.409 1.00 72.13 C ATOM 972 C GLY A 102 -12.087 23.649 6.683 1.00 43.24 C ATOM 973 O GLY A 102 -12.645 24.577 7.266 1.00 14.24 O ATOM 974 H GLY A 102 -9.837 21.320 6.403 1.00 0.00 H ATOM 975 N GLU A 103 -12.311 23.357 5.405 1.00 31.24 N ATOM 976 CA GLU A 103 -13.248 24.130 4.599 1.00 75.52 C ATOM 977 C GLU A 103 -14.643 23.513 4.646 1.00 75.35 C ATOM 978 O GLU A 103 -15.607 24.089 4.139 1.00 24.15 O ATOM 979 CB GLU A 103 -12.763 24.210 3.150 1.00 0.50 C ATOM 980 CG GLU A 103 -13.608 23.403 2.179 1.00 42.01 C ATOM 981 CD GLU A 103 -12.968 23.284 0.809 1.00 34.52 C ATOM 982 OE1 GLU A 103 -12.151 24.161 0.458 1.00 75.40 O ATOM 983 OE2 GLU A 103 -13.285 22.314 0.089 1.00 43.03 O ATOM 984 H GLU A 103 -11.806 22.558 4.970 1.00 0.00 H ATOM 985 N VAL A 104 -14.744 22.336 5.256 1.00 2.33 N ATOM 986 CA VAL A 104 -16.020 21.640 5.370 1.00 10.42 C ATOM 987 C VAL A 104 -16.328 21.292 6.822 1.00 70.40 C ATOM 988 O VAL A 104 -17.460 20.943 7.160 1.00 4.34 O ATOM 989 CB VAL A 104 -16.032 20.350 4.530 1.00 75.32 C ATOM 990 CG1 VAL A 104 -15.476 20.613 3.139 1.00 64.50 C ATOM 991 CG2 VAL A 104 -15.246 19.251 5.229 1.00 1.43 C ATOM 992 H VAL A 104 -13.891 21.901 5.662 1.00 0.00 H ATOM 993 N ILE A 105 -15.314 21.388 7.676 1.00 74.03 N ATOM 994 CA ILE A 105 -15.478 21.084 9.092 1.00 44.11 C ATOM 995 C ILE A 105 -16.693 21.800 9.671 1.00 0.02 C ATOM 996 O ILE A 105 -17.329 21.308 10.603 1.00 4.33 O ATOM 997 CB ILE A 105 -14.228 21.481 9.900 1.00 13.04 C ATOM 998 CG1 ILE A 105 -14.136 20.647 11.180 1.00 64.45 C ATOM 999 CG2 ILE A 105 -14.261 22.966 10.231 1.00 32.42 C ATOM 1000 CD1 ILE A 105 -13.495 19.292 10.972 1.00 34.12 C ATOM 1001 H ILE A 105 -14.382 21.687 7.326 1.00 0.00 H ATOM 1002 N GLN A 106 -17.011 22.963 9.111 1.00 25.23 N ATOM 1003 CA GLN A 106 -18.151 23.746 9.572 1.00 30.11 C ATOM 1004 C GLN A 106 -19.414 22.892 9.621 1.00 63.15 C ATOM 1005 O GLN A 106 -19.888 22.531 10.697 1.00 74.33 O ATOM 1006 CB GLN A 106 -18.371 24.952 8.657 1.00 35.14 C ATOM 1007 CG GLN A 106 -17.884 24.733 7.234 1.00 15.11 C ATOM 1008 CD GLN A 106 -18.646 25.566 6.222 1.00 11.21 C ATOM 1009 OE1 GLN A 106 -19.751 26.037 6.494 1.00 1.21 O ATOM 1010 NE2 GLN A 106 -18.058 25.753 5.046 1.00 33.12 N ATOM 1011 HE22 GLN A 106 -17.124 25.336 4.860 1.00 0.00 H ATOM 1012 HE21 GLN A 106 -18.532 26.316 4.311 1.00 0.00 H ATOM 1013 H GLN A 106 -16.433 23.323 8.325 1.00 0.00 H ATOM 1014 N GLU A 107 -19.952 22.574 8.448 1.00 73.54 N ATOM 1015 CA GLU A 107 -21.161 21.763 8.358 1.00 71.14 C ATOM 1016 C GLU A 107 -20.985 20.440 9.098 1.00 53.12 C ATOM 1017 O GLU A 107 -21.901 19.966 9.771 1.00 73.40 O ATOM 1018 CB GLU A 107 -21.516 21.497 6.893 1.00 1.21 C ATOM 1019 CG GLU A 107 -20.632 20.453 6.232 1.00 22.04 C ATOM 1020 CD GLU A 107 -20.908 20.310 4.748 1.00 24.43 C ATOM 1021 OE1 GLU A 107 -21.495 21.243 4.162 1.00 74.41 O ATOM 1022 OE2 GLU A 107 -20.536 19.265 4.173 1.00 15.14 O ATOM 1023 H GLU A 107 -19.500 22.911 7.574 1.00 0.00 H ATOM 1024 N LEU A 108 -19.803 19.849 8.968 1.00 43.10 N ATOM 1025 CA LEU A 108 -19.505 18.580 9.624 1.00 53.24 C ATOM 1026 C LEU A 108 -19.731 18.679 11.129 1.00 51.11 C ATOM 1027 O LEU A 108 -20.665 18.084 11.668 1.00 55.32 O ATOM 1028 CB LEU A 108 -18.061 18.163 9.339 1.00 35.33 C ATOM 1029 CG LEU A 108 -17.733 17.831 7.883 1.00 32.52 C ATOM 1030 CD1 LEU A 108 -16.359 17.188 7.779 1.00 3.11 C ATOM 1031 CD2 LEU A 108 -18.797 16.917 7.292 1.00 50.23 C ATOM 1032 H LEU A 108 -19.071 20.302 8.384 1.00 0.00 H ATOM 1033 N LEU A 109 -18.871 19.435 11.802 1.00 12.23 N ATOM 1034 CA LEU A 109 -18.978 19.615 13.246 1.00 23.42 C ATOM 1035 C LEU A 109 -20.385 20.053 13.638 1.00 31.21 C ATOM 1036 O LEU A 109 -21.134 19.294 14.253 1.00 24.35 O ATOM 1037 CB LEU A 109 -17.957 20.647 13.728 1.00 21.23 C ATOM 1038 CG LEU A 109 -16.712 20.088 14.418 1.00 2.10 C ATOM 1039 CD1 LEU A 109 -15.488 20.919 14.065 1.00 10.23 C ATOM 1040 CD2 LEU A 109 -16.912 20.044 15.926 1.00 71.41 C ATOM 1041 H LEU A 109 -18.103 19.910 11.287 1.00 0.00 H ATOM 1042 N SER A 110 -20.739 21.282 13.276 1.00 72.44 N ATOM 1043 CA SER A 110 -22.057 21.822 13.591 1.00 65.22 C ATOM 1044 C SER A 110 -23.120 20.729 13.533 1.00 3.14 C ATOM 1045 O SER A 110 -23.782 20.439 14.530 1.00 53.42 O ATOM 1046 CB SER A 110 -22.414 22.949 12.620 1.00 35.20 C ATOM 1047 OG SER A 110 -22.409 22.488 11.280 1.00 50.42 O ATOM 1048 HG SER A 110 -21.508 22.147 11.053 1.00 0.00 H ATOM 1049 H SER A 110 -20.060 21.873 12.755 1.00 0.00 H ATOM 1050 N ASP A 111 -23.277 20.126 12.360 1.00 5.21 N ATOM 1051 CA ASP A 111 -24.258 19.064 12.171 1.00 10.32 C ATOM 1052 C ASP A 111 -24.084 17.971 13.220 1.00 21.43 C ATOM 1053 O ASP A 111 -25.034 17.602 13.910 1.00 22.13 O ATOM 1054 CB ASP A 111 -24.132 18.468 10.769 1.00 61.34 C ATOM 1055 CG ASP A 111 -24.641 19.406 9.692 1.00 0.23 C ATOM 1056 OD1 ASP A 111 -25.037 20.540 10.033 1.00 4.33 O ATOM 1057 OD2 ASP A 111 -24.645 19.006 8.509 1.00 44.30 O ATOM 1058 H ASP A 111 -22.685 20.419 11.556 1.00 0.00 H ATOM 1059 N ALA A 112 -22.864 17.455 13.334 1.00 52.15 N ATOM 1060 CA ALA A 112 -22.565 16.404 14.299 1.00 55.44 C ATOM 1061 C ALA A 112 -23.058 16.782 15.691 1.00 11.15 C ATOM 1062 O ALA A 112 -23.847 16.057 16.298 1.00 13.54 O ATOM 1063 CB ALA A 112 -21.071 16.121 14.324 1.00 21.33 C ATOM 1064 H ALA A 112 -22.104 17.810 12.719 1.00 0.00 H ATOM 1065 N ILE A 113 -22.587 17.919 16.192 1.00 14.22 N ATOM 1066 CA ILE A 113 -22.981 18.392 17.514 1.00 40.34 C ATOM 1067 C ILE A 113 -24.497 18.508 17.627 1.00 52.22 C ATOM 1068 O ILE A 113 -25.099 18.010 18.578 1.00 3.50 O ATOM 1069 CB ILE A 113 -22.348 19.759 17.834 1.00 45.00 C ATOM 1070 CG1 ILE A 113 -20.883 19.783 17.391 1.00 52.40 C ATOM 1071 CG2 ILE A 113 -22.462 20.060 19.321 1.00 42.21 C ATOM 1072 CD1 ILE A 113 -20.110 20.968 17.926 1.00 42.34 C ATOM 1073 H ILE A 113 -21.921 18.485 15.628 1.00 0.00 H ATOM 1074 N ALA A 114 -25.109 19.167 16.649 1.00 55.35 N ATOM 1075 CA ALA A 114 -26.556 19.345 16.636 1.00 11.30 C ATOM 1076 C ALA A 114 -27.275 18.001 16.664 1.00 20.23 C ATOM 1077 O ALA A 114 -27.948 17.665 17.639 1.00 10.01 O ATOM 1078 CB ALA A 114 -26.979 20.146 15.413 1.00 2.34 C ATOM 1079 H ALA A 114 -24.542 19.566 15.874 1.00 0.00 H ATOM 1080 N LYS A 115 -27.129 17.234 15.589 1.00 42.31 N ATOM 1081 CA LYS A 115 -27.763 15.925 15.490 1.00 54.33 C ATOM 1082 C LYS A 115 -27.435 15.068 16.707 1.00 25.53 C ATOM 1083 O LYS A 115 -28.193 14.168 17.068 1.00 73.33 O ATOM 1084 CB LYS A 115 -27.312 15.212 14.213 1.00 3.12 C ATOM 1085 CG LYS A 115 -28.338 15.260 13.094 1.00 21.54 C ATOM 1086 CD LYS A 115 -27.786 15.952 11.860 1.00 5.30 C ATOM 1087 CE LYS A 115 -27.315 17.364 12.176 1.00 33.25 C ATOM 1088 NZ LYS A 115 -28.001 18.380 11.331 1.00 35.40 N ATOM 1089 HZ1 LYS A 115 -27.803 18.186 10.329 1.00 0.00 H ATOM 1090 HZ2 LYS A 115 -29.026 18.333 11.498 1.00 0.00 H ATOM 1091 HZ3 LYS A 115 -27.651 19.328 11.578 1.00 0.00 H ATOM 1092 H LYS A 115 -26.547 17.576 14.798 1.00 0.00 H ATOM 1093 N SER A 116 -26.300 15.353 17.338 1.00 42.32 N ATOM 1094 CA SER A 116 -25.870 14.606 18.514 1.00 42.20 C ATOM 1095 C SER A 116 -26.614 15.078 19.759 1.00 0.24 C ATOM 1096 O SER A 116 -27.118 16.199 19.807 1.00 44.50 O ATOM 1097 CB SER A 116 -24.361 14.760 18.718 1.00 34.25 C ATOM 1098 OG SER A 116 -23.639 13.922 17.833 1.00 42.21 O ATOM 1099 HG SER A 116 -23.887 12.978 17.998 1.00 0.00 H ATOM 1100 H SER A 116 -25.704 16.128 16.984 1.00 0.00 H ATOM 1101 N ASN A 117 -26.679 14.213 20.766 1.00 65.40 N ATOM 1102 CA ASN A 117 -27.361 14.540 22.012 1.00 35.55 C ATOM 1103 C ASN A 117 -26.357 14.801 23.131 1.00 71.42 C ATOM 1104 O ASN A 117 -25.147 14.795 22.905 1.00 74.41 O ATOM 1105 CB ASN A 117 -28.305 13.404 22.414 1.00 12.21 C ATOM 1106 CG ASN A 117 -27.745 12.038 22.070 1.00 22.44 C ATOM 1107 OD1 ASN A 117 -28.001 11.503 20.992 1.00 72.34 O ATOM 1108 ND2 ASN A 117 -26.975 11.466 22.989 1.00 33.22 N ATOM 1109 HD22 ASN A 117 -26.786 11.956 23.887 1.00 0.00 H ATOM 1110 HD21 ASN A 117 -26.562 10.528 22.811 1.00 0.00 H ATOM 1111 H ASN A 117 -26.232 13.280 20.662 1.00 0.00 H ATOM 1112 N GLN A 118 -26.868 15.029 24.336 1.00 31.44 N ATOM 1113 CA GLN A 118 -26.016 15.292 25.490 1.00 65.34 C ATOM 1114 C GLN A 118 -24.760 14.428 25.446 1.00 25.35 C ATOM 1115 O GLN A 118 -23.642 14.934 25.546 1.00 1.42 O ATOM 1116 CB GLN A 118 -26.783 15.033 26.787 1.00 22.43 C ATOM 1117 CG GLN A 118 -25.966 15.302 28.041 1.00 72.10 C ATOM 1118 CD GLN A 118 -26.773 15.126 29.312 1.00 14.31 C ATOM 1119 OE1 GLN A 118 -27.909 14.652 29.279 1.00 14.24 O ATOM 1120 NE2 GLN A 118 -26.190 15.508 30.442 1.00 43.40 N ATOM 1121 HE22 GLN A 118 -25.228 15.903 30.423 1.00 0.00 H ATOM 1122 HE21 GLN A 118 -26.695 15.412 31.346 1.00 0.00 H ATOM 1123 H GLN A 118 -27.901 15.020 24.459 1.00 0.00 H ATOM 1124 N ASP A 119 -24.951 13.122 25.298 1.00 61.42 N ATOM 1125 CA ASP A 119 -23.833 12.187 25.241 1.00 72.42 C ATOM 1126 C ASP A 119 -22.935 12.486 24.044 1.00 31.44 C ATOM 1127 O ASP A 119 -21.836 13.019 24.198 1.00 62.11 O ATOM 1128 CB ASP A 119 -24.347 10.748 25.162 1.00 52.34 C ATOM 1129 CG ASP A 119 -24.628 10.158 26.529 1.00 23.43 C ATOM 1130 OD1 ASP A 119 -23.746 10.252 27.409 1.00 11.21 O ATOM 1131 OD2 ASP A 119 -25.729 9.601 26.720 1.00 12.53 O ATOM 1132 H ASP A 119 -25.922 12.757 25.221 1.00 0.00 H ATOM 1133 N HIS A 120 -23.410 12.138 22.853 1.00 72.34 N ATOM 1134 CA HIS A 120 -22.650 12.368 21.629 1.00 2.45 C ATOM 1135 C HIS A 120 -22.064 13.777 21.612 1.00 61.04 C ATOM 1136 O HIS A 120 -20.850 13.955 21.512 1.00 24.33 O ATOM 1137 CB HIS A 120 -23.539 12.158 20.404 1.00 71.23 C ATOM 1138 CG HIS A 120 -23.890 10.723 20.157 1.00 24.44 C ATOM 1139 ND1 HIS A 120 -23.553 10.054 19.000 1.00 63.34 N ATOM 1140 CD2 HIS A 120 -24.550 9.828 20.929 1.00 63.52 C ATOM 1141 CE1 HIS A 120 -23.992 8.810 19.069 1.00 70.22 C ATOM 1142 NE2 HIS A 120 -24.600 8.647 20.230 1.00 72.42 N ATOM 1143 H HIS A 120 -24.347 11.691 22.792 1.00 0.00 H ATOM 1144 N LYS A 121 -22.935 14.776 21.707 1.00 4.04 N ATOM 1145 CA LYS A 121 -22.505 16.169 21.703 1.00 42.31 C ATOM 1146 C LYS A 121 -21.303 16.371 22.620 1.00 64.22 C ATOM 1147 O LYS A 121 -20.390 17.133 22.303 1.00 52.14 O ATOM 1148 CB LYS A 121 -23.653 17.080 22.142 1.00 13.25 C ATOM 1149 CG LYS A 121 -23.791 17.200 23.650 1.00 12.53 C ATOM 1150 CD LYS A 121 -22.988 18.371 24.192 1.00 10.01 C ATOM 1151 CE LYS A 121 -22.478 18.094 25.598 1.00 31.11 C ATOM 1152 NZ LYS A 121 -21.238 18.861 25.899 1.00 22.05 N ATOM 1153 HZ1 LYS A 121 -20.494 18.594 25.223 1.00 0.00 H ATOM 1154 HZ2 LYS A 121 -21.433 19.879 25.817 1.00 0.00 H ATOM 1155 HZ3 LYS A 121 -20.924 18.644 26.866 1.00 0.00 H ATOM 1156 H LYS A 121 -23.949 14.559 21.786 1.00 0.00 H ATOM 1157 N GLU A 122 -21.309 15.682 23.757 1.00 62.55 N ATOM 1158 CA GLU A 122 -20.218 15.786 24.718 1.00 25.41 C ATOM 1159 C GLU A 122 -18.904 15.311 24.104 1.00 43.24 C ATOM 1160 O GLU A 122 -17.866 15.957 24.253 1.00 71.12 O ATOM 1161 CB GLU A 122 -20.532 14.966 25.971 1.00 34.12 C ATOM 1162 CG GLU A 122 -19.570 13.813 26.202 1.00 31.10 C ATOM 1163 CD GLU A 122 -19.810 13.109 27.523 1.00 23.34 C ATOM 1164 OE1 GLU A 122 -20.355 13.750 28.446 1.00 33.31 O ATOM 1165 OE2 GLU A 122 -19.452 11.918 27.635 1.00 23.22 O ATOM 1166 H GLU A 122 -22.111 15.054 23.966 1.00 0.00 H ATOM 1167 N LYS A 123 -18.956 14.178 23.412 1.00 31.22 N ATOM 1168 CA LYS A 123 -17.772 13.615 22.774 1.00 52.24 C ATOM 1169 C LYS A 123 -17.156 14.611 21.797 1.00 44.32 C ATOM 1170 O LYS A 123 -15.950 14.860 21.828 1.00 61.43 O ATOM 1171 CB LYS A 123 -18.130 12.320 22.040 1.00 3.43 C ATOM 1172 CG LYS A 123 -18.652 11.227 22.956 1.00 24.12 C ATOM 1173 CD LYS A 123 -17.555 10.683 23.857 1.00 51.33 C ATOM 1174 CE LYS A 123 -18.067 9.556 24.741 1.00 53.34 C ATOM 1175 NZ LYS A 123 -17.267 9.423 25.989 1.00 25.10 N ATOM 1176 HZ1 LYS A 123 -16.276 9.222 25.745 1.00 0.00 H ATOM 1177 HZ2 LYS A 123 -17.319 10.310 26.529 1.00 0.00 H ATOM 1178 HZ3 LYS A 123 -17.649 8.644 26.563 1.00 0.00 H ATOM 1179 H LYS A 123 -19.865 13.680 23.323 1.00 0.00 H ATOM 1180 N ILE A 124 -17.990 15.179 20.933 1.00 41.44 N ATOM 1181 CA ILE A 124 -17.526 16.150 19.949 1.00 11.23 C ATOM 1182 C ILE A 124 -16.840 17.333 20.625 1.00 35.23 C ATOM 1183 O ILE A 124 -15.733 17.718 20.251 1.00 24.21 O ATOM 1184 CB ILE A 124 -18.687 16.672 19.082 1.00 71.40 C ATOM 1185 CG1 ILE A 124 -19.427 15.504 18.426 1.00 22.21 C ATOM 1186 CG2 ILE A 124 -18.168 17.637 18.027 1.00 61.44 C ATOM 1187 CD1 ILE A 124 -20.745 15.900 17.798 1.00 64.23 C ATOM 1188 H ILE A 124 -18.998 14.925 20.959 1.00 0.00 H ATOM 1189 N ARG A 125 -17.506 17.904 21.624 1.00 71.22 N ATOM 1190 CA ARG A 125 -16.961 19.042 22.353 1.00 3.31 C ATOM 1191 C ARG A 125 -15.536 18.758 22.819 1.00 63.33 C ATOM 1192 O ARG A 125 -14.622 19.542 22.567 1.00 42.41 O ATOM 1193 CB ARG A 125 -17.845 19.375 23.556 1.00 2.42 C ATOM 1194 CG ARG A 125 -17.702 20.810 24.038 1.00 35.11 C ATOM 1195 CD ARG A 125 -17.379 20.869 25.523 1.00 55.41 C ATOM 1196 NE ARG A 125 -16.121 20.198 25.837 1.00 40.14 N ATOM 1197 CZ ARG A 125 -14.932 20.781 25.734 1.00 63.22 C ATOM 1198 NH1 ARG A 125 -14.839 22.040 25.328 1.00 34.32 N ATOM 1199 NH2 ARG A 125 -13.831 20.104 26.038 1.00 55.15 N ATOM 1200 HE ARG A 125 -16.158 19.210 26.159 1.00 0.00 H ATOM 1201 HH12 ARG A 125 -13.906 22.493 25.249 1.00 0.00 H ATOM 1202 HH11 ARG A 125 -15.699 22.574 25.089 1.00 0.00 H ATOM 1203 HH22 ARG A 125 -12.900 20.561 25.957 1.00 0.00 H ATOM 1204 HH21 ARG A 125 -13.899 19.116 26.357 1.00 0.00 H ATOM 1205 H ARG A 125 -18.439 17.529 21.892 1.00 0.00 H ATOM 1206 N MET A 126 -15.355 17.631 23.499 1.00 31.43 N ATOM 1207 CA MET A 126 -14.041 17.242 23.999 1.00 14.44 C ATOM 1208 C MET A 126 -13.026 17.171 22.863 1.00 54.01 C ATOM 1209 O MET A 126 -11.949 17.762 22.942 1.00 45.04 O ATOM 1210 CB MET A 126 -14.122 15.891 24.712 1.00 12.22 C ATOM 1211 CG MET A 126 -12.947 14.975 24.412 1.00 32.43 C ATOM 1212 SD MET A 126 -12.784 13.639 25.613 1.00 44.50 S ATOM 1213 CE MET A 126 -12.007 14.503 26.976 1.00 4.31 C ATOM 1214 H MET A 126 -16.170 17.011 23.679 1.00 0.00 H ATOM 1215 N LEU A 127 -13.377 16.444 21.808 1.00 41.34 N ATOM 1216 CA LEU A 127 -12.496 16.296 20.654 1.00 21.54 C ATOM 1217 C LEU A 127 -12.027 17.656 20.148 1.00 32.11 C ATOM 1218 O LEU A 127 -10.842 17.856 19.880 1.00 24.20 O ATOM 1219 CB LEU A 127 -13.213 15.541 19.534 1.00 53.03 C ATOM 1220 CG LEU A 127 -12.493 15.498 18.186 1.00 61.44 C ATOM 1221 CD1 LEU A 127 -11.340 14.506 18.228 1.00 55.21 C ATOM 1222 CD2 LEU A 127 -13.466 15.140 17.072 1.00 33.40 C ATOM 1223 H LEU A 127 -14.302 15.969 21.804 1.00 0.00 H ATOM 1224 N LEU A 128 -12.964 18.589 20.021 1.00 31.03 N ATOM 1225 CA LEU A 128 -12.647 19.932 19.549 1.00 11.54 C ATOM 1226 C LEU A 128 -11.572 20.576 20.419 1.00 21.44 C ATOM 1227 O LEU A 128 -10.596 21.128 19.911 1.00 52.12 O ATOM 1228 CB LEU A 128 -13.905 20.803 19.546 1.00 2.21 C ATOM 1229 CG LEU A 128 -13.972 21.881 18.464 1.00 72.15 C ATOM 1230 CD1 LEU A 128 -15.194 22.763 18.664 1.00 14.42 C ATOM 1231 CD2 LEU A 128 -12.702 22.718 18.465 1.00 44.24 C ATOM 1232 H LEU A 128 -13.948 18.356 20.264 1.00 0.00 H ATOM 1233 N ASP A 129 -11.756 20.498 21.733 1.00 72.14 N ATOM 1234 CA ASP A 129 -10.800 21.070 22.674 1.00 32.50 C ATOM 1235 C ASP A 129 -9.395 20.536 22.413 1.00 51.22 C ATOM 1236 O ASP A 129 -8.444 21.306 22.275 1.00 52.35 O ATOM 1237 CB ASP A 129 -11.219 20.757 24.112 1.00 43.14 C ATOM 1238 CG ASP A 129 -10.100 20.999 25.106 1.00 40.03 C ATOM 1239 OD1 ASP A 129 -9.591 22.138 25.161 1.00 12.43 O ATOM 1240 OD2 ASP A 129 -9.734 20.049 25.829 1.00 42.31 O ATOM 1241 H ASP A 129 -12.602 20.017 22.099 1.00 0.00 H ATOM 1242 N ILE A 130 -9.272 19.215 22.348 1.00 70.24 N ATOM 1243 CA ILE A 130 -7.983 18.579 22.103 1.00 12.22 C ATOM 1244 C ILE A 130 -7.362 19.079 20.803 1.00 24.14 C ATOM 1245 O ILE A 130 -6.159 19.334 20.737 1.00 52.13 O ATOM 1246 CB ILE A 130 -8.115 17.046 22.040 1.00 5.02 C ATOM 1247 CG1 ILE A 130 -8.567 16.495 23.394 1.00 62.00 C ATOM 1248 CG2 ILE A 130 -6.794 16.418 21.621 1.00 3.11 C ATOM 1249 CD1 ILE A 130 -9.119 15.089 23.320 1.00 72.30 C ATOM 1250 H ILE A 130 -10.115 18.620 22.475 1.00 0.00 H ATOM 1251 N TRP A 131 -8.189 19.218 19.774 1.00 61.31 N ATOM 1252 CA TRP A 131 -7.720 19.689 18.476 1.00 55.15 C ATOM 1253 C TRP A 131 -6.990 21.021 18.611 1.00 73.41 C ATOM 1254 O TRP A 131 -5.820 21.137 18.247 1.00 21.01 O ATOM 1255 CB TRP A 131 -8.896 19.834 17.508 1.00 13.11 C ATOM 1256 CG TRP A 131 -9.314 18.538 16.882 1.00 44.02 C ATOM 1257 CD1 TRP A 131 -8.672 17.336 16.980 1.00 13.32 C ATOM 1258 CD2 TRP A 131 -10.464 18.315 16.059 1.00 30.01 C ATOM 1259 NE1 TRP A 131 -9.355 16.380 16.268 1.00 22.52 N ATOM 1260 CE2 TRP A 131 -10.458 16.954 15.695 1.00 40.34 C ATOM 1261 CE3 TRP A 131 -11.500 19.131 15.597 1.00 44.43 C ATOM 1262 CZ2 TRP A 131 -11.447 16.395 14.889 1.00 4.41 C ATOM 1263 CZ3 TRP A 131 -12.480 18.575 14.797 1.00 2.31 C ATOM 1264 CH2 TRP A 131 -12.448 17.218 14.450 1.00 34.05 C ATOM 1265 HE1 TRP A 131 -9.079 15.381 16.179 1.00 0.00 H ATOM 1266 H TRP A 131 -9.195 18.985 19.896 1.00 0.00 H ATOM 1267 N ASP A 132 -7.688 22.022 19.136 1.00 45.00 N ATOM 1268 CA ASP A 132 -7.104 23.346 19.320 1.00 31.24 C ATOM 1269 C ASP A 132 -5.818 23.264 20.137 1.00 32.11 C ATOM 1270 O ASP A 132 -4.792 23.828 19.756 1.00 14.02 O ATOM 1271 CB ASP A 132 -8.103 24.275 20.011 1.00 14.11 C ATOM 1272 CG ASP A 132 -7.647 25.721 20.009 1.00 63.23 C ATOM 1273 OD1 ASP A 132 -6.852 26.093 20.897 1.00 14.12 O ATOM 1274 OD2 ASP A 132 -8.084 26.480 19.119 1.00 52.13 O ATOM 1275 H ASP A 132 -8.674 21.858 19.423 1.00 0.00 H ATOM 1276 N ARG A 133 -5.882 22.559 21.262 1.00 64.00 N ATOM 1277 CA ARG A 133 -4.723 22.405 22.134 1.00 51.44 C ATOM 1278 C ARG A 133 -3.535 21.836 21.364 1.00 71.13 C ATOM 1279 O ARG A 133 -2.460 22.435 21.329 1.00 73.10 O ATOM 1280 CB ARG A 133 -5.064 21.494 23.314 1.00 4.12 C ATOM 1281 CG ARG A 133 -5.596 22.241 24.526 1.00 22.14 C ATOM 1282 CD ARG A 133 -5.260 21.515 25.820 1.00 71.34 C ATOM 1283 NE ARG A 133 -5.077 22.439 26.935 1.00 14.51 N ATOM 1284 CZ ARG A 133 -6.074 23.103 27.510 1.00 30.15 C ATOM 1285 NH1 ARG A 133 -7.317 22.944 27.078 1.00 13.21 N ATOM 1286 NH2 ARG A 133 -5.828 23.927 28.521 1.00 20.11 N ATOM 1287 HE ARG A 133 -4.114 22.586 27.299 1.00 0.00 H ATOM 1288 HH12 ARG A 133 -8.095 23.465 27.530 1.00 0.00 H ATOM 1289 HH11 ARG A 133 -7.514 22.298 26.287 1.00 0.00 H ATOM 1290 HH22 ARG A 133 -6.609 24.446 28.970 1.00 0.00 H ATOM 1291 HH21 ARG A 133 -4.854 24.053 28.864 1.00 0.00 H ATOM 1292 H ARG A 133 -6.780 22.106 21.527 1.00 0.00 H ATOM 1293 N SER A 134 -3.737 20.675 20.748 1.00 1.14 N ATOM 1294 CA SER A 134 -2.682 20.022 19.983 1.00 45.34 C ATOM 1295 C SER A 134 -2.090 20.977 18.950 1.00 60.33 C ATOM 1296 O SER A 134 -0.901 21.291 18.987 1.00 31.33 O ATOM 1297 CB SER A 134 -3.225 18.773 19.287 1.00 73.01 C ATOM 1298 OG SER A 134 -2.171 17.967 18.790 1.00 74.52 O ATOM 1299 HG SER A 134 -2.550 17.168 18.346 1.00 0.00 H ATOM 1300 H SER A 134 -4.671 20.222 20.814 1.00 0.00 H ATOM 1301 N GLY A 135 -2.930 21.435 18.027 1.00 74.12 N ATOM 1302 CA GLY A 135 -2.474 22.349 16.996 1.00 63.41 C ATOM 1303 C GLY A 135 -2.780 21.846 15.599 1.00 51.41 C ATOM 1304 O GLY A 135 -1.998 22.056 14.670 1.00 14.03 O ATOM 1305 H GLY A 135 -3.926 21.135 18.044 1.00 0.00 H ATOM 1306 N LEU A 136 -3.919 21.180 15.448 1.00 14.12 N ATOM 1307 CA LEU A 136 -4.327 20.644 14.154 1.00 40.51 C ATOM 1308 C LEU A 136 -4.743 21.766 13.207 1.00 35.43 C ATOM 1309 O LEU A 136 -3.990 22.149 12.312 1.00 21.41 O ATOM 1310 CB LEU A 136 -5.480 19.655 14.330 1.00 53.13 C ATOM 1311 CG LEU A 136 -5.111 18.173 14.255 1.00 3.25 C ATOM 1312 CD1 LEU A 136 -3.945 17.867 15.183 1.00 32.31 C ATOM 1313 CD2 LEU A 136 -6.312 17.306 14.601 1.00 33.12 C ATOM 1314 H LEU A 136 -4.536 21.037 16.273 1.00 0.00 H ATOM 1315 N PHE A 137 -5.947 22.290 13.412 1.00 33.35 N ATOM 1316 CA PHE A 137 -6.464 23.368 12.578 1.00 1.32 C ATOM 1317 C PHE A 137 -6.185 24.728 13.212 1.00 24.23 C ATOM 1318 O PHE A 137 -7.044 25.300 13.881 1.00 35.25 O ATOM 1319 CB PHE A 137 -7.968 23.195 12.357 1.00 11.35 C ATOM 1320 CG PHE A 137 -8.323 21.946 11.603 1.00 55.21 C ATOM 1321 CD1 PHE A 137 -8.274 20.708 12.224 1.00 52.44 C ATOM 1322 CD2 PHE A 137 -8.707 22.010 10.273 1.00 33.21 C ATOM 1323 CE1 PHE A 137 -8.600 19.557 11.531 1.00 1.51 C ATOM 1324 CE2 PHE A 137 -9.035 20.862 9.576 1.00 43.34 C ATOM 1325 CZ PHE A 137 -8.982 19.635 10.206 1.00 62.40 C ATOM 1326 H PHE A 137 -6.535 21.922 14.187 1.00 0.00 H ATOM 1327 N GLN A 138 -4.976 25.238 12.996 1.00 33.34 N ATOM 1328 CA GLN A 138 -4.583 26.529 13.548 1.00 61.12 C ATOM 1329 C GLN A 138 -5.247 27.671 12.786 1.00 43.23 C ATOM 1330 O GLN A 138 -4.582 28.430 12.079 1.00 31.35 O ATOM 1331 CB GLN A 138 -3.062 26.685 13.501 1.00 0.13 C ATOM 1332 CG GLN A 138 -2.315 25.582 14.233 1.00 5.11 C ATOM 1333 CD GLN A 138 -1.248 26.120 15.166 1.00 24.22 C ATOM 1334 OE1 GLN A 138 -1.474 26.266 16.368 1.00 64.12 O ATOM 1335 NE2 GLN A 138 -0.076 26.418 14.617 1.00 61.31 N ATOM 1336 HE22 GLN A 138 0.071 26.279 13.597 1.00 0.00 H ATOM 1337 HE21 GLN A 138 0.695 26.791 15.207 1.00 0.00 H ATOM 1338 H GLN A 138 -4.295 24.703 12.420 1.00 0.00 H ATOM 1339 N LYS A 139 -6.562 27.788 12.933 1.00 51.31 N ATOM 1340 CA LYS A 139 -7.317 28.838 12.260 1.00 53.32 C ATOM 1341 C LYS A 139 -7.968 29.775 13.273 1.00 72.14 C ATOM 1342 O LYS A 139 -8.826 30.585 12.921 1.00 31.23 O ATOM 1343 CB LYS A 139 -8.388 28.225 11.355 1.00 71.31 C ATOM 1344 CG LYS A 139 -7.822 27.358 10.244 1.00 44.15 C ATOM 1345 CD LYS A 139 -7.137 28.196 9.177 1.00 42.20 C ATOM 1346 CE LYS A 139 -5.629 28.230 9.378 1.00 55.44 C ATOM 1347 NZ LYS A 139 -4.902 28.396 8.089 1.00 71.12 N ATOM 1348 HZ1 LYS A 139 -5.130 27.601 7.459 1.00 0.00 H ATOM 1349 HZ2 LYS A 139 -5.192 29.289 7.641 1.00 0.00 H ATOM 1350 HZ3 LYS A 139 -3.878 28.414 8.270 1.00 0.00 H ATOM 1351 H LYS A 139 -7.066 27.113 13.544 1.00 0.00 H ATOM 1352 N SER A 140 -7.554 29.660 14.530 1.00 22.52 N ATOM 1353 CA SER A 140 -8.099 30.495 15.594 1.00 25.33 C ATOM 1354 C SER A 140 -9.605 30.294 15.725 1.00 32.41 C ATOM 1355 O SER A 140 -10.371 31.257 15.761 1.00 43.34 O ATOM 1356 CB SER A 140 -7.791 31.969 15.323 1.00 61.52 C ATOM 1357 OG SER A 140 -6.504 32.124 14.751 1.00 25.13 O ATOM 1358 HG SER A 140 -6.331 33.085 14.586 1.00 0.00 H ATOM 1359 H SER A 140 -6.823 28.957 14.761 1.00 0.00 H ATOM 1360 N TYR A 141 -10.024 29.035 15.796 1.00 25.14 N ATOM 1361 CA TYR A 141 -11.438 28.706 15.921 1.00 75.41 C ATOM 1362 C TYR A 141 -12.242 29.315 14.777 1.00 54.35 C ATOM 1363 O TYR A 141 -12.697 30.457 14.860 1.00 5.22 O ATOM 1364 CB TYR A 141 -11.983 29.201 17.262 1.00 61.22 C ATOM 1365 CG TYR A 141 -11.466 28.422 18.450 1.00 31.51 C ATOM 1366 CD1 TYR A 141 -11.455 27.032 18.443 1.00 43.05 C ATOM 1367 CD2 TYR A 141 -10.990 29.074 19.580 1.00 13.34 C ATOM 1368 CE1 TYR A 141 -10.984 26.316 19.526 1.00 32.31 C ATOM 1369 CE2 TYR A 141 -10.517 28.366 20.668 1.00 45.22 C ATOM 1370 CZ TYR A 141 -10.516 26.987 20.636 1.00 3.30 C ATOM 1371 OH TYR A 141 -10.046 26.278 21.718 1.00 40.32 O ATOM 1372 HH TYR A 141 -9.099 26.517 21.881 1.00 0.00 H ATOM 1373 H TYR A 141 -9.325 28.265 15.761 1.00 0.00 H ATOM 1374 N LEU A 142 -12.415 28.545 13.708 1.00 41.32 N ATOM 1375 CA LEU A 142 -13.165 29.007 12.545 1.00 42.41 C ATOM 1376 C LEU A 142 -14.592 29.384 12.931 1.00 24.34 C ATOM 1377 O LEU A 142 -15.125 28.895 13.927 1.00 42.14 O ATOM 1378 CB LEU A 142 -13.186 27.925 11.464 1.00 43.30 C ATOM 1379 CG LEU A 142 -13.072 26.482 11.957 1.00 53.24 C ATOM 1380 CD1 LEU A 142 -11.625 26.138 12.272 1.00 61.24 C ATOM 1381 CD2 LEU A 142 -13.952 26.265 13.179 1.00 12.31 C ATOM 1382 H LEU A 142 -12.006 27.589 13.700 1.00 0.00 H ATOM 1383 N ASN A 143 -15.205 30.254 12.136 1.00 43.12 N ATOM 1384 CA ASN A 143 -16.571 30.695 12.394 1.00 61.32 C ATOM 1385 C ASN A 143 -17.452 29.521 12.810 1.00 24.43 C ATOM 1386 O ASN A 143 -18.289 29.646 13.703 1.00 55.12 O ATOM 1387 CB ASN A 143 -17.155 31.369 11.151 1.00 63.14 C ATOM 1388 CG ASN A 143 -16.369 32.598 10.737 1.00 40.13 C ATOM 1389 OD1 ASN A 143 -15.760 33.269 11.570 1.00 23.21 O ATOM 1390 ND2 ASN A 143 -16.380 32.899 9.443 1.00 0.34 N ATOM 1391 HD22 ASN A 143 -16.909 32.303 8.775 1.00 0.00 H ATOM 1392 HD21 ASN A 143 -15.860 33.731 9.098 1.00 0.00 H ATOM 1393 H ASN A 143 -14.698 30.630 11.309 1.00 0.00 H ATOM 1394 N ALA A 144 -17.255 28.380 12.158 1.00 61.34 N ATOM 1395 CA ALA A 144 -18.029 27.183 12.462 1.00 61.44 C ATOM 1396 C ALA A 144 -18.371 27.112 13.946 1.00 41.20 C ATOM 1397 O ALA A 144 -19.351 27.708 14.396 1.00 65.44 O ATOM 1398 CB ALA A 144 -17.265 25.938 12.034 1.00 32.24 C ATOM 1399 H ALA A 144 -16.531 28.340 11.413 1.00 0.00 H ATOM 1400 N ILE A 145 -17.559 26.381 14.702 1.00 65.05 N ATOM 1401 CA ILE A 145 -17.776 26.234 16.135 1.00 22.23 C ATOM 1402 C ILE A 145 -17.480 27.535 16.873 1.00 44.34 C ATOM 1403 O ILE A 145 -17.942 27.744 17.994 1.00 2.04 O ATOM 1404 CB ILE A 145 -16.901 25.112 16.725 1.00 3.11 C ATOM 1405 CG1 ILE A 145 -15.473 25.211 16.183 1.00 11.05 C ATOM 1406 CG2 ILE A 145 -17.500 23.750 16.408 1.00 52.32 C ATOM 1407 CD1 ILE A 145 -15.113 24.100 15.222 1.00 54.44 C ATOM 1408 H ILE A 145 -16.749 25.902 14.260 1.00 0.00 H ATOM 1409 N ARG A 146 -16.708 28.408 16.234 1.00 45.30 N ATOM 1410 CA ARG A 146 -16.350 29.690 16.829 1.00 50.41 C ATOM 1411 C ARG A 146 -17.526 30.276 17.605 1.00 2.22 C ATOM 1412 O ARG A 146 -17.404 30.595 18.788 1.00 54.52 O ATOM 1413 CB ARG A 146 -15.901 30.672 15.745 1.00 2.10 C ATOM 1414 CG ARG A 146 -16.065 32.131 16.139 1.00 63.11 C ATOM 1415 CD ARG A 146 -14.947 32.991 15.569 1.00 32.32 C ATOM 1416 NE ARG A 146 -15.128 34.405 15.887 1.00 31.40 N ATOM 1417 CZ ARG A 146 -14.312 35.363 15.464 1.00 4.21 C ATOM 1418 NH1 ARG A 146 -13.264 35.061 14.710 1.00 40.24 N ATOM 1419 NH2 ARG A 146 -14.543 36.627 15.795 1.00 3.23 N ATOM 1420 HE ARG A 146 -15.940 34.676 16.477 1.00 0.00 H ATOM 1421 HH12 ARG A 146 -12.627 35.814 14.380 1.00 0.00 H ATOM 1422 HH11 ARG A 146 -13.079 34.071 14.448 1.00 0.00 H ATOM 1423 HH22 ARG A 146 -13.903 37.377 15.463 1.00 0.00 H ATOM 1424 HH21 ARG A 146 -15.364 36.868 16.386 1.00 0.00 H ATOM 1425 H ARG A 146 -16.351 28.171 15.287 1.00 0.00 H ATOM 1426 N SER A 147 -18.663 30.415 16.931 1.00 30.02 N ATOM 1427 CA SER A 147 -19.860 30.966 17.556 1.00 4.41 C ATOM 1428 C SER A 147 -20.455 29.979 18.555 1.00 22.03 C ATOM 1429 O SER A 147 -21.165 29.047 18.178 1.00 55.25 O ATOM 1430 CB SER A 147 -20.899 31.321 16.491 1.00 13.34 C ATOM 1431 OG SER A 147 -21.388 30.157 15.847 1.00 4.25 O ATOM 1432 HG SER A 147 -21.811 29.563 16.517 1.00 0.00 H ATOM 1433 H SER A 147 -18.700 30.124 15.933 1.00 0.00 H ATOM 1434 N LYS A 148 -20.159 30.190 19.833 1.00 33.14 N ATOM 1435 CA LYS A 148 -20.665 29.321 20.890 1.00 62.15 C ATOM 1436 C LYS A 148 -22.140 29.001 20.671 1.00 11.04 C ATOM 1437 O LYS A 148 -22.633 27.965 21.120 1.00 52.25 O ATOM 1438 CB LYS A 148 -20.472 29.980 22.257 1.00 43.51 C ATOM 1439 CG LYS A 148 -19.015 30.120 22.665 1.00 73.41 C ATOM 1440 CD LYS A 148 -18.790 31.358 23.516 1.00 54.44 C ATOM 1441 CE LYS A 148 -19.297 31.159 24.936 1.00 62.31 C ATOM 1442 NZ LYS A 148 -19.161 32.397 25.752 1.00 21.44 N ATOM 1443 HZ1 LYS A 148 -18.159 32.672 25.799 1.00 0.00 H ATOM 1444 HZ2 LYS A 148 -19.712 33.162 25.313 1.00 0.00 H ATOM 1445 HZ3 LYS A 148 -19.518 32.219 26.712 1.00 0.00 H ATOM 1446 H LYS A 148 -19.551 30.995 20.086 1.00 0.00 H ATOM 1447 N CYS A 149 -22.839 29.895 19.980 1.00 25.12 N ATOM 1448 CA CYS A 149 -24.258 29.707 19.702 1.00 31.11 C ATOM 1449 C CYS A 149 -24.530 28.295 19.194 1.00 72.13 C ATOM 1450 O CYS A 149 -25.626 27.762 19.368 1.00 71.44 O ATOM 1451 CB CYS A 149 -24.738 30.733 18.675 1.00 40.22 C ATOM 1452 SG CYS A 149 -25.238 32.316 19.391 1.00 2.41 S ATOM 1453 H CYS A 149 -22.362 30.750 19.629 1.00 0.00 H ATOM 1454 N PHE A 150 -23.526 27.695 18.563 1.00 21.12 N ATOM 1455 CA PHE A 150 -23.658 26.345 18.027 1.00 45.44 C ATOM 1456 C PHE A 150 -24.097 25.368 19.113 1.00 4.44 C ATOM 1457 O PHE A 150 -25.149 24.739 19.009 1.00 63.23 O ATOM 1458 CB PHE A 150 -22.332 25.885 17.416 1.00 31.14 C ATOM 1459 CG PHE A 150 -21.353 25.367 18.431 1.00 71.43 C ATOM 1460 CD1 PHE A 150 -21.345 24.027 18.783 1.00 24.40 C ATOM 1461 CD2 PHE A 150 -20.441 26.219 19.031 1.00 10.24 C ATOM 1462 CE1 PHE A 150 -20.445 23.547 19.717 1.00 52.43 C ATOM 1463 CE2 PHE A 150 -19.539 25.746 19.966 1.00 61.45 C ATOM 1464 CZ PHE A 150 -19.541 24.408 20.308 1.00 65.43 C ATOM 1465 H PHE A 150 -22.624 28.200 18.449 1.00 0.00 H ATOM 1466 N ALA A 151 -23.282 25.247 20.156 1.00 2.43 N ATOM 1467 CA ALA A 151 -23.586 24.349 21.263 1.00 23.01 C ATOM 1468 C ALA A 151 -24.813 24.823 22.034 1.00 51.11 C ATOM 1469 O ALA A 151 -25.688 24.028 22.376 1.00 51.23 O ATOM 1470 CB ALA A 151 -22.388 24.234 22.194 1.00 64.12 C ATOM 1471 H ALA A 151 -22.406 25.807 20.183 1.00 0.00 H ATOM 1472 N MET A 152 -24.870 26.123 22.305 1.00 73.03 N ATOM 1473 CA MET A 152 -25.992 26.702 23.035 1.00 3.42 C ATOM 1474 C MET A 152 -27.317 26.344 22.370 1.00 1.41 C ATOM 1475 O MET A 152 -28.280 25.974 23.042 1.00 5.35 O ATOM 1476 CB MET A 152 -25.843 28.223 23.118 1.00 73.24 C ATOM 1477 CG MET A 152 -24.537 28.672 23.752 1.00 14.54 C ATOM 1478 SD MET A 152 -24.690 28.960 25.526 1.00 40.01 S ATOM 1479 CE MET A 152 -23.919 27.480 26.176 1.00 3.14 C ATOM 1480 H MET A 152 -24.096 26.742 21.989 1.00 0.00 H ATOM 1481 N ASP A 153 -27.359 26.457 21.047 1.00 12.32 N ATOM 1482 CA ASP A 153 -28.567 26.145 20.291 1.00 25.33 C ATOM 1483 C ASP A 153 -28.928 24.669 20.431 1.00 51.23 C ATOM 1484 O ASP A 153 -29.999 24.326 20.934 1.00 41.24 O ATOM 1485 CB ASP A 153 -28.376 26.499 18.816 1.00 60.34 C ATOM 1486 CG ASP A 153 -29.694 26.702 18.094 1.00 22.02 C ATOM 1487 OD1 ASP A 153 -30.741 26.309 18.650 1.00 54.24 O ATOM 1488 OD2 ASP A 153 -29.678 27.255 16.975 1.00 63.43 O ATOM 1489 H ASP A 153 -26.510 26.776 20.538 1.00 0.00 H ATOM 1490 N LEU A 154 -28.029 23.800 19.982 1.00 53.35 N ATOM 1491 CA LEU A 154 -28.254 22.361 20.055 1.00 64.30 C ATOM 1492 C LEU A 154 -28.392 21.904 21.504 1.00 54.42 C ATOM 1493 O LEU A 154 -29.016 20.882 21.785 1.00 74.21 O ATOM 1494 CB LEU A 154 -27.104 21.610 19.380 1.00 10.40 C ATOM 1495 CG LEU A 154 -25.694 22.072 19.749 1.00 65.45 C ATOM 1496 CD1 LEU A 154 -25.084 21.146 20.790 1.00 71.33 C ATOM 1497 CD2 LEU A 154 -24.813 22.137 18.509 1.00 21.32 C ATOM 1498 H LEU A 154 -27.143 24.155 19.568 1.00 0.00 H ATOM 1499 N GLU A 155 -27.808 22.671 22.419 1.00 11.41 N ATOM 1500 CA GLU A 155 -27.869 22.346 23.839 1.00 25.31 C ATOM 1501 C GLU A 155 -29.314 22.174 24.297 1.00 11.51 C ATOM 1502 O GLU A 155 -30.002 23.151 24.597 1.00 21.11 O ATOM 1503 CB GLU A 155 -27.186 23.438 24.665 1.00 14.21 C ATOM 1504 CG GLU A 155 -25.763 23.094 25.072 1.00 14.51 C ATOM 1505 CD GLU A 155 -25.585 23.037 26.577 1.00 43.12 C ATOM 1506 OE1 GLU A 155 -26.506 22.553 27.266 1.00 14.33 O ATOM 1507 OE2 GLU A 155 -24.522 23.476 27.065 1.00 51.34 O ATOM 1508 H GLU A 155 -27.295 23.523 22.115 1.00 0.00 H ATOM 1509 N HIS A 156 -29.769 20.926 24.348 1.00 43.43 N ATOM 1510 CA HIS A 156 -31.133 20.626 24.769 1.00 45.01 C ATOM 1511 C HIS A 156 -31.381 21.113 26.193 1.00 1.13 C ATOM 1512 O HIS A 156 -30.524 21.759 26.798 1.00 72.02 O ATOM 1513 CB HIS A 156 -31.397 19.123 24.678 1.00 35.10 C ATOM 1514 CG HIS A 156 -32.725 18.784 24.073 1.00 11.30 C ATOM 1515 ND1 HIS A 156 -33.240 19.438 22.973 1.00 23.14 N ATOM 1516 CD2 HIS A 156 -33.644 17.853 24.419 1.00 32.05 C ATOM 1517 CE1 HIS A 156 -34.419 18.925 22.671 1.00 63.54 C ATOM 1518 NE2 HIS A 156 -34.687 17.961 23.533 1.00 72.52 N ATOM 1519 H HIS A 156 -29.137 20.144 24.081 1.00 0.00 H ATOM 1520 N HIS A 157 -32.559 20.800 26.724 1.00 40.13 N ATOM 1521 CA HIS A 157 -32.920 21.206 28.077 1.00 11.33 C ATOM 1522 C HIS A 157 -31.992 20.563 29.103 1.00 10.13 C ATOM 1523 O HIS A 157 -32.168 19.402 29.473 1.00 71.31 O ATOM 1524 CB HIS A 157 -34.371 20.827 28.376 1.00 2.12 C ATOM 1525 CG HIS A 157 -35.029 21.722 29.381 1.00 22.42 C ATOM 1526 ND1 HIS A 157 -34.557 21.884 30.667 1.00 51.33 N ATOM 1527 CD2 HIS A 157 -36.128 22.506 29.283 1.00 24.12 C ATOM 1528 CE1 HIS A 157 -35.338 22.729 31.316 1.00 34.54 C ATOM 1529 NE2 HIS A 157 -36.299 23.121 30.499 1.00 21.20 N ATOM 1530 H HIS A 157 -33.240 20.252 26.160 1.00 0.00 H ATOM 1531 N HIS A 158 -31.003 21.325 29.559 1.00 1.23 N ATOM 1532 CA HIS A 158 -30.047 20.829 30.543 1.00 43.22 C ATOM 1533 C HIS A 158 -29.131 21.951 31.024 1.00 35.13 C ATOM 1534 O HIS A 158 -28.810 22.870 30.271 1.00 43.23 O ATOM 1535 CB HIS A 158 -29.213 19.695 29.947 1.00 25.32 C ATOM 1536 CG HIS A 158 -28.146 19.188 30.868 1.00 1.25 C ATOM 1537 ND1 HIS A 158 -26.809 19.167 30.532 1.00 22.31 N ATOM 1538 CD2 HIS A 158 -28.225 18.684 32.122 1.00 31.21 C ATOM 1539 CE1 HIS A 158 -26.112 18.669 31.538 1.00 1.42 C ATOM 1540 NE2 HIS A 158 -26.948 18.369 32.516 1.00 62.23 N ATOM 1541 H HIS A 158 -30.908 22.299 29.206 1.00 0.00 H ATOM 1542 N HIS A 159 -28.716 21.869 32.284 1.00 1.44 N ATOM 1543 CA HIS A 159 -27.838 22.878 32.866 1.00 4.05 C ATOM 1544 C HIS A 159 -26.394 22.663 32.422 1.00 40.21 C ATOM 1545 O HIS A 159 -26.028 21.578 31.971 1.00 64.45 O ATOM 1546 CB HIS A 159 -27.924 22.841 34.393 1.00 74.25 C ATOM 1547 CG HIS A 159 -29.300 23.109 34.921 1.00 41.41 C ATOM 1548 ND1 HIS A 159 -29.636 22.969 36.251 1.00 42.31 N ATOM 1549 CD2 HIS A 159 -30.427 23.514 34.290 1.00 32.32 C ATOM 1550 CE1 HIS A 159 -30.911 23.274 36.415 1.00 23.01 C ATOM 1551 NE2 HIS A 159 -31.414 23.608 35.241 1.00 41.25 N ATOM 1552 H HIS A 159 -29.025 21.066 32.869 1.00 0.00 H ATOM 1553 N HIS A 160 -25.579 23.705 32.552 1.00 65.12 N ATOM 1554 CA HIS A 160 -24.175 23.630 32.163 1.00 24.11 C ATOM 1555 C HIS A 160 -23.420 24.878 32.611 1.00 63.04 C ATOM 1556 O HIS A 160 -23.984 25.757 33.263 1.00 70.11 O ATOM 1557 CB HIS A 160 -24.051 23.461 30.649 1.00 72.34 C ATOM 1558 CG HIS A 160 -24.745 24.534 29.867 1.00 4.25 C ATOM 1559 ND1 HIS A 160 -26.091 24.499 29.571 1.00 62.23 N ATOM 1560 CD2 HIS A 160 -24.271 25.679 29.322 1.00 23.14 C ATOM 1561 CE1 HIS A 160 -26.414 25.574 28.875 1.00 15.44 C ATOM 1562 NE2 HIS A 160 -25.328 26.307 28.712 1.00 41.25 N ATOM 1563 H HIS A 160 -25.951 24.595 32.940 1.00 0.00 H ATOM 1564 N HIS A 161 -22.140 24.949 32.257 1.00 73.34 N ATOM 1565 CA HIS A 161 -21.308 26.089 32.622 1.00 2.21 C ATOM 1566 C HIS A 161 -20.969 26.930 31.395 1.00 61.11 C ATOM 1567 O HIS A 161 -20.250 27.920 31.523 1.00 32.23 O ATOM 1568 CB HIS A 161 -20.022 25.613 33.299 1.00 14.14 C ATOM 1569 CG HIS A 161 -19.095 24.882 32.378 1.00 50.52 C ATOM 1570 ND1 HIS A 161 -19.034 23.507 32.306 1.00 33.25 N ATOM 1571 CD2 HIS A 161 -18.189 25.344 31.485 1.00 50.45 C ATOM 1572 CE1 HIS A 161 -18.130 23.154 31.411 1.00 43.14 C ATOM 1573 NE2 HIS A 161 -17.602 24.251 30.897 1.00 75.32 N ATOM 1574 H HIS A 161 -21.722 24.172 31.706 1.00 0.00 H TER 1575 HIS A 161 HETATM 1576 N ASP A 1 -18.533 -5.582 24.047 1.00 0.24 N HETATM 1577 CA ASP A 1 -17.897 -6.091 22.838 1.00 0.08 C HETATM 1578 C ASP A 1 -16.385 -5.902 22.898 1.00 0.23 C HETATM 1579 O ASP A 1 -15.891 -4.775 22.924 1.00 -0.39 O HETATM 1580 N ASP A 1 -15.656 -7.013 22.921 1.00 -0.26 N HETATM 1581 CA ASP A 1 -14.199 -6.970 22.978 1.00 0.14 C HETATM 1582 C ASP A 1 -13.608 -6.723 21.593 1.00 0.21 C HETATM 1583 O ASP A 1 -13.417 -7.656 20.813 1.00 -0.39 O HETATM 1584 N ASP A 1 -13.322 -5.460 21.294 1.00 -0.26 N HETATM 1585 CA ASP A 1 -12.753 -5.090 20.004 1.00 0.14 C HETATM 1586 C ASP A 1 -12.055 -3.736 20.086 1.00 0.21 C HETATM 1587 O ASP A 1 -12.051 -2.970 19.123 1.00 -0.39 O HETATM 1588 N ASP A 1 -11.466 -3.449 21.243 1.00 -0.26 N HETATM 1589 CA ASP A 1 -10.767 -2.186 21.450 1.00 0.13 C HETATM 1590 C ASP A 1 -11.672 -1.002 21.119 1.00 0.20 C HETATM 1591 O ASP A 1 -11.235 -0.025 20.511 1.00 -0.39 O HETATM 1592 N ASP A 1 -12.933 -1.099 21.524 1.00 -0.26 N HETATM 1593 CA ASP A 1 -13.900 -0.037 21.271 1.00 0.14 C HETATM 1594 C ASP A 1 -13.498 1.247 21.992 1.00 0.21 C HETATM 1595 O ASP A 1 -12.498 1.282 22.707 1.00 -0.39 O HETATM 1596 N ASP A 1 -14.286 2.300 21.798 1.00 -0.27 N HETATM 1597 CA ASP A 1 -13.995 3.571 22.434 1.00 0.12 C HETATM 1598 C ASP A 1 -12.663 4.148 21.996 1.00 0.20 C HETATM 1599 O ASP A 1 -11.654 3.990 22.683 1.00 -0.39 O HETATM 1600 N ASP A 1 -12.660 4.818 20.849 1.00 -0.26 N HETATM 1601 CA ASP A 1 -11.441 5.417 20.317 1.00 0.14 C HETATM 1602 C ASP A 1 -11.326 6.879 20.735 1.00 0.21 C HETATM 1603 O ASP A 1 -12.114 7.722 20.306 1.00 -0.39 O HETATM 1604 N ASP A 1 -10.338 7.173 21.574 1.00 -0.26 N HETATM 1605 CA ASP A 1 -10.118 8.533 22.050 1.00 0.15 C HETATM 1606 C ASP A 1 -9.087 9.252 21.186 1.00 0.21 C HETATM 1607 O ASP A 1 -8.053 8.695 20.816 1.00 -0.39 O HETATM 1608 N ASP A 1 -9.373 10.521 20.855 1.00 -0.25 N HETATM 1609 CA ASP A 1 -8.483 11.344 20.032 1.00 0.13 C HETATM 1610 C ASP A 1 -7.199 11.721 20.764 1.00 0.20 C HETATM 1611 O ASP A 1 -6.171 11.982 20.140 1.00 -0.39 O HETATM 1612 N ASP A 1 -7.267 11.747 22.091 1.00 -0.26 N HETATM 1613 CA ASP A 1 -6.110 12.093 22.908 1.00 0.14 C HETATM 1614 C ASP A 1 -5.106 10.946 22.946 1.00 0.21 C HETATM 1615 O ASP A 1 -3.958 11.121 23.357 1.00 -0.39 O HETATM 1616 N ASP A 1 -5.546 9.768 22.513 1.00 -0.26 N HETATM 1617 CA ASP A 1 -4.687 8.591 22.496 1.00 0.16 C HETATM 1618 C ASP A 1 -4.726 7.901 21.138 1.00 0.21 C HETATM 1619 O ASP A 1 -5.780 7.443 20.692 1.00 -0.39 O HETATM 1620 N ASP A 1 -3.573 7.827 20.483 1.00 -0.27 N HETATM 1621 CA ASP A 1 -3.475 7.191 19.174 1.00 0.12 C HETATM 1622 C ASP A 1 -3.431 5.673 19.308 1.00 0.21 C HETATM 1623 O ASP A 1 -4.221 5.082 20.044 1.00 -0.41 O HETATM 1624 O1 ASP A 1 -2.575 5.015 18.657 1.00 -0.41 O HETATM 1625 CB ASP A 1 -2.228 7.685 18.437 1.00 -0.01 C HETATM 1626 CG ASP A 1 -2.066 7.203 16.996 1.00 -0.04 C HETATM 1627 CD1 ASP A 1 -1.465 8.300 16.130 1.00 -0.06 C HETATM 1628 H ASP A 1 -1.356 7.934 15.098 1.00 0.02 H HETATM 1629 H ASP A 1 -0.477 8.580 16.526 1.00 0.02 H HETATM 1630 H ASP A 1 -2.127 9.179 16.140 1.00 0.02 H HETATM 1631 CD2 ASP A 1 -1.203 5.950 16.946 1.00 -0.06 C HETATM 1632 H ASP A 1 -1.653 5.170 17.577 1.00 0.02 H HETATM 1633 H ASP A 1 -0.194 6.185 17.316 1.00 0.02 H HETATM 1634 H ASP A 1 -1.138 5.590 15.909 1.00 0.02 H HETATM 1635 H ASP A 1 -3.062 6.955 16.599 1.00 0.03 H HETATM 1636 H ASP A 1 -1.347 7.351 19.005 1.00 0.03 H HETATM 1637 H ASP A 1 -2.259 8.784 18.422 1.00 0.03 H HETATM 1638 H ASP A 1 -4.363 7.465 18.586 1.00 0.08 H HETATM 1639 H ASP A 1 -2.751 8.217 20.898 1.00 0.19 H HETATM 1640 CB ASP A 1 -5.099 7.581 23.584 1.00 0.09 C HETATM 1641 OG1 ASP A 1 -6.271 6.868 23.173 1.00 -0.39 O HETATM 1642 H ASP A 1 -6.090 6.401 22.366 1.00 0.21 H HETATM 1643 CG2 ASP A 1 -5.366 8.287 24.905 1.00 -0.03 C HETATM 1644 H ASP A 1 -5.658 7.546 25.664 1.00 0.03 H HETATM 1645 H ASP A 1 -6.179 9.017 24.773 1.00 0.03 H HETATM 1646 H ASP A 1 -4.455 8.809 25.233 1.00 0.03 H HETATM 1647 H ASP A 1 -4.278 6.863 23.727 1.00 0.06 H HETATM 1648 H ASP A 1 -3.655 8.917 22.694 1.00 0.08 H HETATM 1649 H ASP A 1 -6.489 9.688 22.191 1.00 0.19 H HETATM 1650 CB ASP A 1 -6.551 12.447 24.330 1.00 0.02 C HETATM 1651 CG ASP A 1 -5.964 13.742 24.842 1.00 -0.05 C HETATM 1652 CD1 ASP A 1 -4.642 14.080 24.581 1.00 -0.07 C HETATM 1653 CE1 ASP A 1 -4.101 15.262 25.047 1.00 -0.04 C HETATM 1654 CZ ASP A 1 -4.884 16.127 25.783 1.00 0.08 C HETATM 1655 CE2 ASP A 1 -6.200 15.815 26.055 1.00 -0.04 C HETATM 1656 CD2 ASP A 1 -6.732 14.630 25.585 1.00 -0.07 C HETATM 1657 H ASP A 1 -7.767 14.389 25.800 1.00 0.05 H HETATM 1658 H ASP A 1 -6.813 16.496 26.634 1.00 0.05 H HETATM 1659 OH ASP A 1 -4.349 17.306 26.249 1.00 -0.34 O HETATM 1660 H ASP A 1 -3.441 17.369 25.978 1.00 0.25 H HETATM 1661 H ASP A 1 -3.067 15.509 24.836 1.00 0.05 H HETATM 1662 H ASP A 1 -4.024 13.404 24.001 1.00 0.05 H HETATM 1663 H ASP A 1 -6.240 11.634 25.003 1.00 0.05 H HETATM 1664 H ASP A 1 -7.647 12.534 24.342 1.00 0.05 H HETATM 1665 H ASP A 1 -5.620 12.972 22.463 1.00 0.08 H HETATM 1666 H ASP A 1 -8.132 11.524 22.540 1.00 0.19 H HETATM 1667 CB ASP A 1 -9.320 12.593 19.744 1.00 -0.01 C HETATM 1668 CG ASP A 1 -10.286 12.670 20.875 1.00 -0.03 C HETATM 1669 CD ASP A 1 -10.587 11.249 21.261 1.00 0.04 C HETATM 1670 H ASP A 1 -10.754 11.162 22.345 1.00 0.05 H HETATM 1671 H ASP A 1 -11.470 10.873 20.723 1.00 0.05 H HETATM 1672 H ASP A 1 -11.206 13.183 20.558 1.00 0.03 H HETATM 1673 H ASP A 1 -9.839 13.210 21.723 1.00 0.03 H HETATM 1674 H ASP A 1 -9.851 12.492 18.786 1.00 0.03 H HETATM 1675 H ASP A 1 -8.683 13.489 19.717 1.00 0.03 H HETATM 1676 H ASP A 1 -8.226 10.820 19.100 1.00 0.08 H HETATM 1677 CB ASP A 1 -9.656 8.517 23.508 1.00 0.08 C HETATM 1678 CG ASP A 1 -10.049 9.778 24.254 1.00 0.18 C HETATM 1679 OD1 ASP A 1 -9.390 10.811 24.139 1.00 -0.40 O HETATM 1680 ND2 ASP A 1 -11.128 9.697 25.024 1.00 -0.30 N HETATM 1681 H ASP A 1 -11.435 10.497 25.540 1.00 0.18 H HETATM 1682 H ASP A 1 -11.633 8.836 25.088 1.00 0.18 H HETATM 1683 H ASP A 1 -8.560 8.421 23.530 1.00 0.06 H HETATM 1684 H ASP A 1 -10.111 7.652 24.013 1.00 0.06 H HETATM 1685 H ASP A 1 -11.069 9.082 21.988 1.00 0.08 H HETATM 1686 H ASP A 1 -9.730 6.443 21.887 1.00 0.19 H HETATM 1687 CB ASP A 1 -11.418 5.307 18.792 1.00 0.02 C HETATM 1688 CG ASP A 1 -10.479 6.289 18.128 1.00 -0.05 C HETATM 1689 CD1 ASP A 1 -9.133 5.990 17.962 1.00 -0.07 C HETATM 1690 CE1 ASP A 1 -8.272 6.885 17.357 1.00 -0.04 C HETATM 1691 CZ ASP A 1 -8.753 8.097 16.907 1.00 0.08 C HETATM 1692 CE2 ASP A 1 -10.086 8.417 17.060 1.00 -0.04 C HETATM 1693 CD2 ASP A 1 -10.940 7.516 17.667 1.00 -0.07 C HETATM 1694 H ASP A 1 -11.987 7.771 17.785 1.00 0.05 H HETATM 1695 H ASP A 1 -10.462 9.370 16.706 1.00 0.05 H HETATM 1696 OH ASP A 1 -7.899 8.991 16.303 1.00 -0.34 O HETATM 1697 H ASP A 1 -7.887 9.801 16.799 1.00 0.25 H HETATM 1698 H ASP A 1 -7.224 6.636 17.236 1.00 0.05 H HETATM 1699 H ASP A 1 -8.752 5.038 18.313 1.00 0.05 H HETATM 1700 H ASP A 1 -12.435 5.489 18.415 1.00 0.05 H HETATM 1701 H ASP A 1 -11.104 4.288 18.522 1.00 0.05 H HETATM 1702 H ASP A 1 -10.578 4.869 20.722 1.00 0.08 H HETATM 1703 H ASP A 1 -13.514 4.914 20.338 1.00 0.19 H HETATM 1704 H ASP A 1 -13.974 3.424 23.524 1.00 0.08 H HETATM 1705 H ASP A 1 -14.791 4.285 22.176 1.00 0.08 H HETATM 1706 H ASP A 1 -15.088 2.215 21.207 1.00 0.19 H HETATM 1707 CB ASP A 1 -15.296 -0.472 21.719 1.00 0.04 C HETATM 1708 CG ASP A 1 -15.939 -1.442 20.748 1.00 0.04 C HETATM 1709 OD1 ASP A 1 -15.410 -1.598 19.628 1.00 -0.57 O HETATM 1710 OD2 ASP A 1 -16.973 -2.045 21.107 1.00 -0.57 O HETATM 1711 H ASP A 1 -15.934 0.420 21.802 1.00 0.05 H HETATM 1712 H ASP A 1 -15.216 -0.958 22.703 1.00 0.05 H HETATM 1713 H ASP A 1 -13.924 0.162 20.189 1.00 0.08 H HETATM 1714 H ASP A 1 -13.226 -1.920 22.014 1.00 0.19 H HETATM 1715 CB ASP A 1 -9.502 -2.131 20.591 1.00 -0.00 C HETATM 1716 CG ASP A 1 -8.406 -3.072 21.061 1.00 0.00 C HETATM 1717 CD ASP A 1 -7.033 -2.665 20.562 1.00 0.04 C HETATM 1718 OE1 ASP A 1 -6.929 -2.238 19.393 1.00 -0.57 O HETATM 1719 OE2 ASP A 1 -6.063 -2.773 21.341 1.00 -0.57 O HETATM 1720 H ASP A 1 -8.629 -4.084 20.692 1.00 0.04 H HETATM 1721 H ASP A 1 -8.394 -3.077 22.161 1.00 0.04 H HETATM 1722 H ASP A 1 -9.111 -1.103 20.613 1.00 0.03 H HETATM 1723 H ASP A 1 -9.771 -2.399 19.558 1.00 0.03 H HETATM 1724 H ASP A 1 -10.476 -2.119 22.509 1.00 0.08 H HETATM 1725 H ASP A 1 -11.503 -4.115 21.988 1.00 0.19 H HETATM 1726 CB ASP A 1 -13.845 -5.051 18.933 1.00 0.04 C HETATM 1727 CG ASP A 1 -13.329 -5.450 17.565 1.00 0.04 C HETATM 1728 OD1 ASP A 1 -12.473 -6.357 17.494 1.00 -0.57 O HETATM 1729 OD2 ASP A 1 -13.781 -4.855 16.564 1.00 -0.57 O HETATM 1730 H ASP A 1 -14.246 -4.028 18.875 1.00 0.05 H HETATM 1731 H ASP A 1 -14.649 -5.744 19.223 1.00 0.05 H HETATM 1732 H ASP A 1 -12.010 -5.850 19.721 1.00 0.08 H HETATM 1733 H ASP A 1 -13.502 -4.746 21.971 1.00 0.19 H HETATM 1734 CB ASP A 1 -13.651 -8.276 23.554 1.00 0.04 C HETATM 1735 CG ASP A 1 -12.250 -8.120 24.112 1.00 0.04 C HETATM 1736 OD1 ASP A 1 -11.848 -6.972 24.395 1.00 -0.57 O HETATM 1737 OD2 ASP A 1 -11.556 -9.147 24.266 1.00 -0.57 O HETATM 1738 H ASP A 1 -13.631 -9.033 22.756 1.00 0.05 H HETATM 1739 H ASP A 1 -14.317 -8.613 24.362 1.00 0.05 H HETATM 1740 H ASP A 1 -13.901 -6.142 23.638 1.00 0.08 H HETATM 1741 H ASP A 1 -16.117 -7.900 22.899 1.00 0.19 H HETATM 1742 CB ASP A 1 -18.463 -5.388 21.603 1.00 0.06 C HETATM 1743 CG ASP A 1 -19.915 -5.744 21.348 1.00 0.04 C HETATM 1744 OD1 ASP A 1 -20.417 -6.686 21.996 1.00 -0.57 O HETATM 1745 OD2 ASP A 1 -20.548 -5.080 20.501 1.00 -0.57 O HETATM 1746 H ASP A 1 -17.868 -5.682 20.726 1.00 0.05 H HETATM 1747 H ASP A 1 -18.387 -4.301 21.750 1.00 0.05 H HETATM 1748 H ASP A 1 -18.111 -7.167 22.759 1.00 0.11 H HETATM 1749 H ASP A 1 -19.530 -5.718 23.985 1.00 0.20 H HETATM 1750 H ASP A 1 -18.333 -4.599 24.143 1.00 0.20 H HETATM 1751 H ASP A 1 -18.176 -6.078 24.849 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1576 1577 1749 1750 1751 CONECT 1577 1576 1578 1742 1748 CONECT 1578 1577 1579 1580 CONECT 1579 1578 CONECT 1580 1578 1581 1741 CONECT 1581 1580 1582 1734 1740 CONECT 1582 1581 1583 1584 CONECT 1583 1582 CONECT 1584 1582 1585 1733 CONECT 1585 1584 1586 1726 1732 CONECT 1586 1585 1587 1588 CONECT 1587 1586 CONECT 1588 1586 1589 1725 CONECT 1589 1588 1590 1715 1724 CONECT 1590 1589 1591 1592 CONECT 1591 1590 CONECT 1592 1590 1593 1714 CONECT 1593 1592 1594 1707 1713 CONECT 1594 1593 1595 1596 CONECT 1595 1594 CONECT 1596 1594 1597 1706 CONECT 1597 1596 1598 1704 1705 CONECT 1598 1597 1599 1600 CONECT 1599 1598 CONECT 1600 1598 1601 1703 CONECT 1601 1600 1602 1687 1702 CONECT 1602 1601 1603 1604 CONECT 1603 1602 CONECT 1604 1602 1605 1686 CONECT 1605 1604 1606 1677 1685 CONECT 1606 1605 1607 1608 CONECT 1607 1606 CONECT 1608 1606 1609 1669 CONECT 1609 1608 1610 1667 1676 CONECT 1610 1609 1611 1612 CONECT 1611 1610 CONECT 1612 1610 1613 1666 CONECT 1613 1612 1614 1650 1665 CONECT 1614 1613 1615 1616 CONECT 1615 1614 CONECT 1616 1614 1617 1649 CONECT 1617 1616 1618 1640 1648 CONECT 1618 1617 1619 1620 CONECT 1619 1618 CONECT 1620 1618 1621 1639 CONECT 1621 1620 1622 1625 1638 CONECT 1622 1621 1623 1624 CONECT 1623 1622 CONECT 1624 1622 CONECT 1625 1621 1626 1636 1637 CONECT 1626 1625 1627 1631 1635 CONECT 1627 1626 1628 1629 1630 CONECT 1628 1627 CONECT 1629 1627 CONECT 1630 1627 CONECT 1631 1626 1632 1633 1634 CONECT 1632 1631 CONECT 1633 1631 CONECT 1634 1631 CONECT 1635 1626 CONECT 1636 1625 CONECT 1637 1625 CONECT 1638 1621 CONECT 1639 1620 CONECT 1640 1617 1641 1643 1647 CONECT 1641 1640 1642 CONECT 1642 1641 CONECT 1643 1640 1644 1645 1646 CONECT 1644 1643 CONECT 1645 1643 CONECT 1646 1643 CONECT 1647 1640 CONECT 1648 1617 CONECT 1649 1616 CONECT 1650 1613 1651 1663 1664 CONECT 1651 1650 1652 1656 CONECT 1652 1651 1653 1662 CONECT 1653 1652 1654 1661 CONECT 1654 1653 1655 1659 CONECT 1655 1654 1656 1658 CONECT 1656 1651 1655 1657 CONECT 1657 1656 CONECT 1658 1655 CONECT 1659 1654 1660 CONECT 1660 1659 CONECT 1661 1653 CONECT 1662 1652 CONECT 1663 1650 CONECT 1664 1650 CONECT 1665 1613 CONECT 1666 1612 CONECT 1667 1609 1668 1674 1675 CONECT 1668 1667 1669 1672 1673 CONECT 1669 1608 1668 1670 1671 CONECT 1670 1669 CONECT 1671 1669 CONECT 1672 1668 CONECT 1673 1668 CONECT 1674 1667 CONECT 1675 1667 CONECT 1676 1609 CONECT 1677 1605 1678 1683 1684 CONECT 1678 1677 1679 1680 CONECT 1679 1678 CONECT 1680 1678 1681 1682 CONECT 1681 1680 CONECT 1682 1680 CONECT 1683 1677 CONECT 1684 1677 CONECT 1685 1605 CONECT 1686 1604 CONECT 1687 1601 1688 1700 1701 CONECT 1688 1687 1689 1693 CONECT 1689 1688 1690 1699 CONECT 1690 1689 1691 1698 CONECT 1691 1690 1692 1696 CONECT 1692 1691 1693 1695 CONECT 1693 1688 1692 1694 CONECT 1694 1693 CONECT 1695 1692 CONECT 1696 1691 1697 CONECT 1697 1696 CONECT 1698 1690 CONECT 1699 1689 CONECT 1700 1687 CONECT 1701 1687 CONECT 1702 1601 CONECT 1703 1600 CONECT 1704 1597 CONECT 1705 1597 CONECT 1706 1596 CONECT 1707 1593 1708 1711 1712 CONECT 1708 1707 1709 1710 CONECT 1709 1708 CONECT 1710 1708 CONECT 1711 1707 CONECT 1712 1707 CONECT 1713 1593 CONECT 1714 1592 CONECT 1715 1589 1716 1722 1723 CONECT 1716 1715 1717 1720 1721 CONECT 1717 1716 1718 1719 CONECT 1718 1717 CONECT 1719 1717 CONECT 1720 1716 CONECT 1721 1716 CONECT 1722 1715 CONECT 1723 1715 CONECT 1724 1589 CONECT 1725 1588 CONECT 1726 1585 1727 1730 1731 CONECT 1727 1726 1728 1729 CONECT 1728 1727 CONECT 1729 1727 CONECT 1730 1726 CONECT 1731 1726 CONECT 1732 1585 CONECT 1733 1584 CONECT 1734 1581 1735 1738 1739 CONECT 1735 1734 1736 1737 CONECT 1736 1735 CONECT 1737 1735 CONECT 1738 1734 CONECT 1739 1734 CONECT 1740 1581 CONECT 1741 1580 CONECT 1742 1577 1743 1746 1747 CONECT 1743 1742 1744 1745 CONECT 1744 1743 CONECT 1745 1743 CONECT 1746 1742 CONECT 1747 1742 CONECT 1748 1577 CONECT 1749 1576 CONECT 1750 1576 CONECT 1751 1576 MASTER 0 0 0 0 0 0 0 0 1750 1 180 13 END
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PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
2mow
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
CTD interacting domain of Protein NRD1
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=1.09uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Mol.Cell Vol. 55: pp. 467-481
Ligand Properties
Formula
C
6
0
H
8
2
N
1
3
O
2
7
Molecular Weight
1417.360
Exact Mass
1416.540
No. of atoms
182
No. of bonds
184
Polar Surface Area
666.53
LOGP Value
-0.12 (
Computed with XLOGP3
)
-3.34 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 27
No. of Rotatable Bonds: 50
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 3
Canonical SMILES
CC(C[C@@H](C(=O)O)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CC(=O)N)Cc1ccc(cc1)O)C
InChI String
InChI=1S/C60H81N13O27/c1-26(2)17-40(60(99)100)71-58(97)49(27(3)74)72-56(95)35(19-29-8-12-31(76)13-9-29)69-57(96)41-5-4-16-73(41)59(98)39(21-42(62)77)70-53(92)34(18-28-6-10-30(75)11-7-28)64-43(78)25-63-51(90)36(22-46(83)84)67-52(91)33(14-15-44(79)80)65-54(93)38(24-48(87)88)68-55(94)37(23-47(85)86)66-50(89)32(61)20-45(81)82/h6-13,26-27,32-41,49,74-76H,4-5,14-25,61H2,1-3H3,(H2,62,77)(H,63,90)(H,64,78)(H,65,93)(H,66,89)(H,67,91)(H,68,94)(H,69,96)(H,70,92)(H,71,97)(H,72,95)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,99,100)/p+1/t27-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,49+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P53617
P53632
Entrez Gene ID
NCBI Entrez Gene ID:
855470
854034
ASD
Information of known allosteric effects of PDB entries
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