Browse entries in the PDBbind-CN Database
HEADER 4NB3_COMPLEX COMPND 4NB3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 GLY SER HIS MET VAL GLY GLN LEU SER ARG GLY ALA ILE SEQRES 2 A 123 ALA ALA ILE MET GLN LYS GLY ASP THR ASN ILE LYS PRO SEQRES 3 A 123 ILE LEU GLN VAL ILE ASN ILE ARG PRO ILE THR THR GLY SEQRES 4 A 123 ASN SER PRO PRO ARG TYR ARG LEU LEU MET SER ASP GLY SEQRES 5 A 123 LEU ASN THR LEU SER SER PHE MET LEU ALA THR GLN LEU SEQRES 6 A 123 ASN PRO LEU VAL GLU GLU GLU GLN LEU SER SER ASN CYS SEQRES 7 A 123 VAL CYS GLN ILE HIS ARG PHE ILE VAL ASN THR LEU LYS SEQRES 8 A 123 ASP GLY ARG ARG VAL VAL ILE LEU MET GLU LEU GLU VAL SEQRES 9 A 123 LEU LYS SER ALA GLU ALA VAL GLY VAL LYS ILE GLY ASN SEQRES 10 A 123 PRO VAL PRO TYR ASN GLU HET UNN A 376 263 ATOM 1 N GLY A -2 14.434 10.754 -0.471 1.00 33.82 N ATOM 2 CA GLY A -2 13.908 11.687 0.512 1.00 32.84 C ATOM 3 C GLY A -2 14.275 11.299 1.926 1.00 30.39 C ATOM 4 O GLY A -2 14.333 10.099 2.277 1.00 28.21 O ATOM 5 HN3 GLY A -2 14.050 9.805 -0.287 1.00 0.00 H ATOM 6 HN2 GLY A -2 15.471 10.729 -0.403 1.00 0.00 H ATOM 7 HN1 GLY A -2 14.156 11.063 -1.424 1.00 0.00 H ATOM 8 N SER A -1 14.535 12.310 2.753 1.00 30.24 N ATOM 9 CA SER A -1 14.935 12.090 4.121 1.00 28.27 C ATOM 10 C SER A -1 13.981 12.655 5.169 1.00 25.18 C ATOM 11 O SER A -1 14.264 12.596 6.358 1.00 22.80 O ATOM 12 CB SER A -1 16.312 12.694 4.311 1.00 28.89 C ATOM 13 OG SER A -1 17.151 12.232 3.250 1.00 29.04 O ATOM 14 HG SER A -1 18.057 12.616 3.356 1.00 0.00 H ATOM 15 H SER A -1 14.447 13.285 2.403 1.00 0.00 H ATOM 16 N HIS A 0 12.807 13.095 4.771 1.00 25.81 N ATOM 17 CA HIS A 0 11.902 13.648 5.765 1.00 28.78 C ATOM 18 C HIS A 0 11.345 12.596 6.781 1.00 27.27 C ATOM 19 O HIS A 0 10.734 12.973 7.758 1.00 28.42 O ATOM 20 CB HIS A 0 10.765 14.391 5.061 1.00 33.90 C ATOM 21 CG HIS A 0 9.649 13.510 4.600 1.00 36.89 C ATOM 22 ND1 HIS A 0 8.534 13.258 5.376 1.00 39.46 N ATOM 23 CD2 HIS A 0 9.463 12.839 3.436 1.00 40.18 C ATOM 24 CE1 HIS A 0 7.723 12.447 4.718 1.00 41.35 C ATOM 25 NE2 HIS A 0 8.260 12.180 3.538 1.00 41.91 N ATOM 26 H HIS A 0 12.533 13.048 3.769 1.00 0.00 H ATOM 27 N MET A 1 11.539 11.299 6.577 1.00 22.87 N ATOM 28 CA MET A 1 11.099 10.281 7.557 1.00 20.82 C ATOM 29 C MET A 1 12.260 9.765 8.411 1.00 17.08 C ATOM 30 O MET A 1 12.117 8.805 9.161 1.00 15.75 O ATOM 31 CB MET A 1 10.420 9.091 6.830 1.00 21.52 C ATOM 32 CG MET A 1 9.128 9.538 6.168 1.00 24.42 C ATOM 33 SD MET A 1 8.025 8.286 5.558 1.00 30.06 S ATOM 34 CE MET A 1 9.178 7.736 4.453 1.00 23.71 C ATOM 35 H MET A 1 12.013 10.990 5.705 1.00 0.00 H ATOM 36 N VAL A 2 13.448 10.353 8.277 1.00 14.88 N ATOM 37 CA VAL A 2 14.589 9.750 8.962 1.00 14.52 C ATOM 38 C VAL A 2 14.491 9.862 10.485 1.00 13.48 C ATOM 39 O VAL A 2 15.074 9.067 11.220 1.00 13.39 O ATOM 40 CB VAL A 2 15.896 10.335 8.390 1.00 15.90 C ATOM 41 CG1 VAL A 2 16.251 11.680 9.024 1.00 15.25 C ATOM 42 CG2 VAL A 2 16.961 9.373 8.552 1.00 16.70 C ATOM 43 H VAL A 2 13.560 11.213 7.703 1.00 0.00 H ATOM 44 N GLY A 3 13.689 10.800 10.992 1.00 13.30 N ATOM 45 CA GLY A 3 13.350 10.836 12.420 1.00 13.24 C ATOM 46 C GLY A 3 12.631 9.612 12.949 1.00 12.65 C ATOM 47 O GLY A 3 12.559 9.437 14.152 1.00 13.69 O ATOM 48 H GLY A 3 13.294 11.524 10.359 1.00 0.00 H ATOM 49 N GLN A 4 12.152 8.730 12.063 1.00 11.88 N ATOM 50 CA GLN A 4 11.544 7.465 12.498 1.00 11.33 C ATOM 51 C GLN A 4 12.553 6.400 12.865 1.00 10.70 C ATOM 52 O GLN A 4 12.143 5.391 13.455 1.00 12.32 O ATOM 53 CB GLN A 4 10.618 6.918 11.410 1.00 13.60 C ATOM 54 CG GLN A 4 9.379 7.791 11.232 1.00 15.19 C ATOM 55 CD GLN A 4 8.528 7.363 10.046 1.00 16.92 C ATOM 56 OE1 GLN A 4 8.603 6.206 9.577 1.00 18.38 O ATOM 57 NE2 GLN A 4 7.730 8.270 9.534 1.00 19.55 N ATOM 58 HE22 GLN A 4 7.692 9.223 9.949 1.00 0.00 H ATOM 59 HE21 GLN A 4 7.135 8.036 8.713 1.00 0.00 H ATOM 60 H GLN A 4 12.211 8.944 11.047 1.00 0.00 H ATOM 61 N LEU A 5 13.829 6.584 12.488 1.00 10.71 N ATOM 62 CA LEU A 5 14.833 5.521 12.650 1.00 10.68 C ATOM 63 C LEU A 5 15.806 5.888 13.750 1.00 10.00 C ATOM 64 O LEU A 5 16.031 7.090 14.008 1.00 11.13 O ATOM 65 CB LEU A 5 15.582 5.274 11.332 1.00 10.94 C ATOM 66 CG LEU A 5 14.671 4.982 10.150 1.00 11.26 C ATOM 67 CD1 LEU A 5 15.532 4.664 8.897 1.00 11.60 C ATOM 68 CD2 LEU A 5 13.744 3.764 10.436 1.00 11.94 C ATOM 69 H LEU A 5 14.112 7.495 12.074 1.00 0.00 H ATOM 70 N SER A 6 16.346 4.904 14.445 1.00 10.46 N ATOM 71 CA SER A 6 17.258 5.140 15.566 1.00 10.84 C ATOM 72 C SER A 6 18.665 5.527 15.126 1.00 12.13 C ATOM 73 O SER A 6 19.612 4.735 15.236 1.00 12.04 O ATOM 74 CB SER A 6 17.340 3.912 16.459 1.00 12.80 C ATOM 75 OG SER A 6 16.112 3.629 17.087 1.00 12.67 O ATOM 76 HG SER A 6 16.211 2.825 17.656 1.00 0.00 H ATOM 77 H SER A 6 16.115 3.924 14.186 1.00 0.00 H ATOM 78 N ARG A 7 18.797 6.742 14.602 1.00 11.42 N ATOM 79 CA ARG A 7 20.083 7.198 14.070 1.00 11.84 C ATOM 80 C ARG A 7 21.160 7.061 15.128 1.00 12.14 C ATOM 81 O ARG A 7 21.000 7.545 16.242 1.00 14.59 O ATOM 82 CB ARG A 7 20.005 8.648 13.594 1.00 13.56 C ATOM 83 CG ARG A 7 19.127 8.804 12.372 1.00 15.18 C ATOM 84 CD ARG A 7 19.053 10.272 12.003 1.00 17.25 C ATOM 85 NE ARG A 7 18.174 11.048 12.885 1.00 16.77 N ATOM 86 CZ ARG A 7 18.262 12.372 13.031 1.00 18.64 C ATOM 87 NH1 ARG A 7 19.243 13.033 12.403 1.00 21.38 N ATOM 88 NH2 ARG A 7 17.403 13.024 13.799 1.00 21.27 N ATOM 89 HE ARG A 7 17.444 10.540 13.425 1.00 0.00 H ATOM 90 HH12 ARG A 7 19.324 14.065 12.507 1.00 0.00 H ATOM 91 HH11 ARG A 7 19.923 12.515 11.811 1.00 0.00 H ATOM 92 HH22 ARG A 7 17.480 14.056 13.906 1.00 0.00 H ATOM 93 HH21 ARG A 7 16.651 12.505 14.295 1.00 0.00 H ATOM 94 H ARG A 7 17.975 7.378 14.569 1.00 0.00 H ATOM 95 N GLY A 8 22.274 6.413 14.791 1.00 12.30 N ATOM 96 CA GLY A 8 23.354 6.207 15.726 1.00 12.69 C ATOM 97 C GLY A 8 23.345 4.829 16.391 1.00 12.85 C ATOM 98 O GLY A 8 24.319 4.481 17.048 1.00 14.74 O ATOM 99 H GLY A 8 22.369 6.044 13.823 1.00 0.00 H ATOM 100 N ALA A 9 22.275 4.051 16.270 1.00 11.88 N ATOM 101 CA ALA A 9 22.237 2.737 16.893 1.00 12.36 C ATOM 102 C ALA A 9 23.243 1.786 16.286 1.00 11.78 C ATOM 103 O ALA A 9 23.842 0.957 17.010 1.00 13.05 O ATOM 104 CB ALA A 9 20.828 2.127 16.781 1.00 13.64 C ATOM 105 H ALA A 9 21.455 4.385 15.724 1.00 0.00 H ATOM 106 N ILE A 10 23.448 1.864 14.973 1.00 11.45 N ATOM 107 CA ILE A 10 24.416 0.942 14.349 1.00 12.34 C ATOM 108 C ILE A 10 25.803 1.246 14.854 1.00 13.57 C ATOM 109 O ILE A 10 26.532 0.328 15.233 1.00 15.10 O ATOM 110 CB ILE A 10 24.313 1.032 12.831 1.00 14.13 C ATOM 111 CG1 ILE A 10 23.081 0.173 12.421 1.00 14.45 C ATOM 112 CG2 ILE A 10 25.635 0.538 12.101 1.00 15.72 C ATOM 113 CD1 ILE A 10 22.674 0.353 10.988 1.00 15.14 C ATOM 114 H ILE A 10 22.935 2.562 14.398 1.00 0.00 H ATOM 115 N ALA A 11 26.190 2.534 14.884 1.00 14.11 N ATOM 116 CA ALA A 11 27.513 2.898 15.393 1.00 15.57 C ATOM 117 C ALA A 11 27.635 2.465 16.854 1.00 15.77 C ATOM 118 O ALA A 11 28.693 2.006 17.278 1.00 16.81 O ATOM 119 CB ALA A 11 27.759 4.380 15.242 1.00 16.37 C ATOM 120 H ALA A 11 25.545 3.276 14.543 1.00 0.00 H ATOM 121 N ALA A 12 26.585 2.601 17.652 1.00 15.46 N ATOM 122 CA ALA A 12 26.646 2.179 19.079 1.00 15.51 C ATOM 123 C ALA A 12 26.830 0.654 19.213 1.00 14.38 C ATOM 124 O ALA A 12 27.609 0.198 20.059 1.00 16.98 O ATOM 125 CB ALA A 12 25.391 2.618 19.866 1.00 16.28 C ATOM 126 H ALA A 12 25.705 3.009 17.276 1.00 0.00 H ATOM 127 N ILE A 13 26.114 -0.135 18.416 1.00 14.49 N ATOM 128 CA ILE A 13 26.302 -1.582 18.447 1.00 15.12 C ATOM 129 C ILE A 13 27.717 -1.934 18.040 1.00 15.73 C ATOM 130 O ILE A 13 28.368 -2.806 18.657 1.00 15.99 O ATOM 131 CB ILE A 13 25.269 -2.267 17.514 1.00 16.57 C ATOM 132 CG1 ILE A 13 23.880 -2.079 18.151 1.00 17.26 C ATOM 133 CG2 ILE A 13 25.622 -3.761 17.315 1.00 17.95 C ATOM 134 CD1 ILE A 13 22.694 -2.387 17.233 1.00 18.92 C ATOM 135 H ILE A 13 25.416 0.282 17.767 1.00 0.00 H ATOM 136 N MET A 14 28.232 -1.298 16.999 1.00 16.19 N ATOM 137 CA MET A 14 29.570 -1.588 16.486 1.00 18.60 C ATOM 138 C MET A 14 30.666 -1.217 17.416 1.00 19.94 C ATOM 139 O MET A 14 31.690 -1.899 17.515 1.00 21.92 O ATOM 140 CB MET A 14 29.792 -0.876 15.155 1.00 18.43 C ATOM 141 CG MET A 14 29.091 -1.612 14.048 1.00 18.00 C ATOM 142 SD MET A 14 29.577 -3.358 14.078 1.00 19.37 S ATOM 143 CE MET A 14 28.022 -4.194 14.278 1.00 18.14 C ATOM 144 H MET A 14 27.664 -0.565 16.529 1.00 0.00 H ATOM 145 N GLN A 15 30.488 -0.072 18.073 1.00 21.23 N ATOM 146 CA GLN A 15 31.521 0.445 18.958 1.00 22.33 C ATOM 147 C GLN A 15 31.468 -0.196 20.321 1.00 21.73 C ATOM 148 O GLN A 15 32.475 -0.727 20.773 1.00 21.72 O ATOM 149 CB GLN A 15 31.407 1.949 19.093 1.00 23.14 C ATOM 150 CG GLN A 15 31.931 2.613 17.878 1.00 26.19 C ATOM 151 CD GLN A 15 31.312 3.957 17.633 1.00 28.66 C ATOM 152 OE1 GLN A 15 30.783 4.605 18.550 1.00 29.71 O ATOM 153 NE2 GLN A 15 31.359 4.392 16.379 1.00 30.03 N ATOM 154 HE22 GLN A 15 31.814 3.813 15.644 1.00 0.00 H ATOM 155 HE21 GLN A 15 30.941 5.312 16.132 1.00 0.00 H ATOM 156 H GLN A 15 29.601 0.458 17.952 1.00 0.00 H ATOM 157 N LYS A 16 30.297 -0.191 20.957 1.00 22.80 N ATOM 158 CA LYS A 16 30.156 -0.685 22.359 1.00 25.26 C ATOM 159 C LYS A 16 29.738 -2.147 22.447 1.00 24.35 C ATOM 160 O LYS A 16 30.030 -2.815 23.442 1.00 25.15 O ATOM 161 CB LYS A 16 29.106 0.113 23.126 1.00 26.77 C ATOM 162 CG LYS A 16 29.230 1.610 23.148 1.00 31.23 C ATOM 163 CD LYS A 16 30.290 1.976 24.118 1.00 36.05 C ATOM 164 CE LYS A 16 30.171 3.390 24.636 1.00 40.14 C ATOM 165 NZ LYS A 16 31.161 3.615 25.773 1.00 42.49 N ATOM 166 HZ1 LYS A 16 30.957 2.949 26.545 1.00 0.00 H ATOM 167 HZ2 LYS A 16 32.128 3.458 25.425 1.00 0.00 H ATOM 168 HZ3 LYS A 16 31.071 4.591 26.122 1.00 0.00 H ATOM 169 H LYS A 16 29.456 0.168 20.462 1.00 0.00 H ATOM 170 N GLY A 17 28.953 -2.607 21.485 1.00 24.70 N ATOM 171 CA GLY A 17 28.496 -3.984 21.465 1.00 25.51 C ATOM 172 C GLY A 17 27.394 -4.291 22.459 1.00 25.88 C ATOM 173 O GLY A 17 27.082 -5.459 22.705 1.00 26.22 O ATOM 174 H GLY A 17 28.656 -1.964 20.723 1.00 0.00 H ATOM 175 N ASP A 18 26.782 -3.278 23.043 1.00 26.52 N ATOM 176 CA ASP A 18 25.753 -3.534 24.059 1.00 27.17 C ATOM 177 C ASP A 18 24.390 -3.820 23.414 1.00 25.43 C ATOM 178 O ASP A 18 24.068 -3.324 22.315 1.00 24.34 O ATOM 179 CB ASP A 18 25.694 -2.361 25.044 1.00 28.90 C ATOM 180 CG ASP A 18 26.895 -2.351 26.021 1.00 30.17 C ATOM 181 OD1 ASP A 18 27.128 -3.364 26.730 1.00 31.64 O ATOM 182 OD2 ASP A 18 27.645 -1.359 26.075 1.00 29.90 O ATOM 183 H ASP A 18 27.028 -2.301 22.784 1.00 0.00 H ATOM 184 N THR A 19 23.604 -4.661 24.089 1.00 23.34 N ATOM 185 CA THR A 19 22.386 -5.187 23.493 1.00 20.80 C ATOM 186 C THR A 19 21.154 -4.690 24.214 1.00 19.34 C ATOM 187 O THR A 19 20.031 -5.100 23.878 1.00 21.55 O ATOM 188 CB THR A 19 22.343 -6.732 23.506 1.00 21.01 C ATOM 189 OG1 THR A 19 22.471 -7.182 24.867 1.00 24.80 O ATOM 190 CG2 THR A 19 23.536 -7.289 22.697 1.00 22.27 C ATOM 191 HG1 THR A 19 21.724 -6.818 25.405 1.00 0.00 H ATOM 192 H THR A 19 23.866 -4.944 25.055 1.00 0.00 H ATOM 193 N ASN A 20 21.340 -3.814 25.186 1.00 19.59 N ATOM 194 CA ASN A 20 20.217 -3.323 26.011 1.00 22.65 C ATOM 195 C ASN A 20 19.517 -2.105 25.396 1.00 22.67 C ATOM 196 O ASN A 20 19.227 -1.118 26.090 1.00 24.92 O ATOM 197 CB ASN A 20 20.732 -2.975 27.426 1.00 25.52 C ATOM 198 CG ASN A 20 21.767 -1.844 27.428 1.00 26.87 C ATOM 199 OD1 ASN A 20 22.467 -1.619 26.428 1.00 28.18 O ATOM 200 ND2 ASN A 20 21.954 -1.217 28.587 1.00 29.14 N ATOM 201 HD22 ASN A 20 21.344 -1.436 29.401 1.00 0.00 H ATOM 202 HD21 ASN A 20 22.710 -0.508 28.679 1.00 0.00 H ATOM 203 H ASN A 20 22.300 -3.462 25.375 1.00 0.00 H ATOM 204 N ILE A 21 19.242 -2.160 24.101 1.00 19.62 N ATOM 205 CA ILE A 21 18.541 -1.108 23.381 1.00 16.69 C ATOM 206 C ILE A 21 17.517 -1.812 22.485 1.00 16.02 C ATOM 207 O ILE A 21 17.654 -3.017 22.201 1.00 16.84 O ATOM 208 CB ILE A 21 19.508 -0.224 22.515 1.00 18.16 C ATOM 209 CG1 ILE A 21 20.416 -1.040 21.580 1.00 18.64 C ATOM 210 CG2 ILE A 21 20.400 0.653 23.425 1.00 20.37 C ATOM 211 CD1 ILE A 21 21.127 -0.167 20.517 1.00 21.33 C ATOM 212 H ILE A 21 19.544 -3.002 23.570 1.00 0.00 H ATOM 213 N LYS A 22 16.535 -1.083 21.974 1.00 14.98 N ATOM 214 CA LYS A 22 15.529 -1.630 21.045 1.00 15.24 C ATOM 215 C LYS A 22 15.380 -0.743 19.820 1.00 13.81 C ATOM 216 O LYS A 22 14.367 -0.026 19.621 1.00 13.77 O ATOM 217 CB LYS A 22 14.198 -1.808 21.753 1.00 16.79 C ATOM 218 CG LYS A 22 14.299 -2.681 22.997 1.00 19.15 C ATOM 219 CD LYS A 22 12.945 -2.946 23.597 1.00 22.08 C ATOM 220 CE LYS A 22 11.993 -1.797 23.349 1.00 24.58 C ATOM 221 NZ LYS A 22 12.484 -0.518 23.906 1.00 26.51 N ATOM 222 HZ1 LYS A 22 12.607 -0.614 24.934 1.00 0.00 H ATOM 223 HZ2 LYS A 22 13.396 -0.277 23.467 1.00 0.00 H ATOM 224 HZ3 LYS A 22 11.793 0.233 23.707 1.00 0.00 H ATOM 225 H LYS A 22 16.471 -0.080 22.240 1.00 0.00 H ATOM 226 N PRO A 23 16.415 -0.752 18.991 1.00 12.13 N ATOM 227 CA PRO A 23 16.442 0.240 17.900 1.00 13.07 C ATOM 228 C PRO A 23 15.391 -0.025 16.855 1.00 11.81 C ATOM 229 O PRO A 23 14.939 -1.150 16.601 1.00 12.00 O ATOM 230 CB PRO A 23 17.849 0.109 17.350 1.00 14.85 C ATOM 231 CG PRO A 23 18.268 -1.333 17.680 1.00 15.45 C ATOM 232 CD PRO A 23 17.617 -1.612 19.006 1.00 14.99 C ATOM 233 N ILE A 24 14.984 1.064 16.204 1.00 10.74 N ATOM 234 CA ILE A 24 14.079 1.027 15.053 1.00 11.08 C ATOM 235 C ILE A 24 14.877 1.235 13.779 1.00 10.34 C ATOM 236 O ILE A 24 15.635 2.220 13.641 1.00 10.75 O ATOM 237 CB ILE A 24 12.981 2.075 15.240 1.00 10.71 C ATOM 238 CG1 ILE A 24 12.165 1.752 16.527 1.00 13.17 C ATOM 239 CG2 ILE A 24 12.077 2.113 14.027 1.00 11.86 C ATOM 240 CD1 ILE A 24 11.092 2.798 16.890 1.00 13.34 C ATOM 241 H ILE A 24 15.327 1.990 16.531 1.00 0.00 H ATOM 242 N LEU A 25 14.758 0.264 12.879 1.00 10.00 N ATOM 243 CA LEU A 25 15.593 0.163 11.689 1.00 9.93 C ATOM 244 C LEU A 25 14.775 -0.047 10.443 1.00 9.83 C ATOM 245 O LEU A 25 13.663 -0.563 10.539 1.00 11.74 O ATOM 246 CB LEU A 25 16.576 -1.022 11.830 1.00 10.95 C ATOM 247 CG LEU A 25 17.438 -1.012 13.067 1.00 11.72 C ATOM 248 CD1 LEU A 25 18.237 -2.342 13.095 1.00 13.14 C ATOM 249 CD2 LEU A 25 18.406 0.185 13.093 1.00 13.01 C ATOM 250 H LEU A 25 14.030 -0.463 13.032 1.00 0.00 H ATOM 251 N GLN A 26 15.331 0.317 9.293 1.00 9.74 N ATOM 252 CA GLN A 26 14.675 -0.011 8.037 1.00 10.04 C ATOM 253 C GLN A 26 15.428 -1.201 7.382 1.00 9.61 C ATOM 254 O GLN A 26 16.664 -1.173 7.292 1.00 11.03 O ATOM 255 CB GLN A 26 14.650 1.188 7.070 1.00 10.20 C ATOM 256 CG GLN A 26 13.839 0.878 5.800 1.00 10.65 C ATOM 257 CD GLN A 26 13.708 2.020 4.835 1.00 9.80 C ATOM 258 OE1 GLN A 26 14.662 2.800 4.623 1.00 11.54 O ATOM 259 NE2 GLN A 26 12.551 2.122 4.211 1.00 10.87 N ATOM 260 HE22 GLN A 26 11.786 1.449 4.421 1.00 0.00 H ATOM 261 HE21 GLN A 26 12.403 2.875 3.509 1.00 0.00 H ATOM 262 H GLN A 26 16.233 0.835 9.291 1.00 0.00 H ATOM 263 N VAL A 27 14.686 -2.173 6.871 1.00 10.20 N ATOM 264 CA VAL A 27 15.287 -3.228 6.074 1.00 9.85 C ATOM 265 C VAL A 27 15.623 -2.698 4.676 1.00 10.28 C ATOM 266 O VAL A 27 14.731 -2.156 3.968 1.00 11.42 O ATOM 267 CB VAL A 27 14.321 -4.423 5.947 1.00 10.86 C ATOM 268 CG1 VAL A 27 14.945 -5.501 5.017 1.00 12.03 C ATOM 269 CG2 VAL A 27 13.973 -5.045 7.291 1.00 11.60 C ATOM 270 H VAL A 27 13.660 -2.180 7.043 1.00 0.00 H ATOM 271 N ILE A 28 16.882 -2.838 4.266 1.00 11.23 N ATOM 272 CA ILE A 28 17.285 -2.451 2.901 1.00 11.88 C ATOM 273 C ILE A 28 17.249 -3.648 1.981 1.00 12.78 C ATOM 274 O ILE A 28 16.709 -3.542 0.884 1.00 14.91 O ATOM 275 CB ILE A 28 18.670 -1.793 2.905 1.00 12.94 C ATOM 276 CG1 ILE A 28 18.693 -0.593 3.886 1.00 14.01 C ATOM 277 CG2 ILE A 28 19.108 -1.346 1.458 1.00 14.00 C ATOM 278 CD1 ILE A 28 17.582 0.471 3.693 1.00 14.21 C ATOM 279 H ILE A 28 17.593 -3.226 4.919 1.00 0.00 H ATOM 280 N ASN A 29 17.851 -4.789 2.404 1.00 11.76 N ATOM 281 CA ASN A 29 17.686 -6.032 1.618 1.00 12.60 C ATOM 282 C ASN A 29 17.738 -7.217 2.530 1.00 11.38 C ATOM 283 O ASN A 29 18.157 -7.103 3.686 1.00 11.50 O ATOM 284 CB ASN A 29 18.715 -6.155 0.420 1.00 14.05 C ATOM 285 CG ASN A 29 20.117 -6.443 0.840 1.00 14.44 C ATOM 286 OD1 ASN A 29 20.363 -7.210 1.753 1.00 17.32 O ATOM 287 ND2 ASN A 29 21.079 -5.872 0.112 1.00 17.08 N ATOM 288 HD22 ASN A 29 20.830 -5.222 -0.660 1.00 0.00 H ATOM 289 HD21 ASN A 29 22.078 -6.077 0.317 1.00 0.00 H ATOM 290 H ASN A 29 18.423 -4.790 3.273 1.00 0.00 H ATOM 291 N ILE A 30 17.303 -8.344 1.983 1.00 12.02 N ATOM 292 CA ILE A 30 17.309 -9.642 2.642 1.00 12.68 C ATOM 293 C ILE A 30 17.870 -10.639 1.637 1.00 12.72 C ATOM 294 O ILE A 30 17.352 -10.716 0.513 1.00 16.17 O ATOM 295 CB ILE A 30 15.864 -10.087 3.102 1.00 14.93 C ATOM 296 CG1 ILE A 30 15.216 -9.034 4.001 1.00 16.49 C ATOM 297 CG2 ILE A 30 15.947 -11.413 3.858 1.00 17.34 C ATOM 298 CD1 ILE A 30 13.792 -9.378 4.432 1.00 17.11 C ATOM 299 H ILE A 30 16.931 -8.297 1.013 1.00 0.00 H ATOM 300 N ARG A 31 18.894 -11.367 2.031 1.00 12.06 N ATOM 301 CA ARG A 31 19.512 -12.329 1.118 1.00 13.44 C ATOM 302 C ARG A 31 19.739 -13.659 1.826 1.00 12.40 C ATOM 303 O ARG A 31 20.156 -13.641 2.968 1.00 12.99 O ATOM 304 CB ARG A 31 20.850 -11.768 0.616 1.00 16.28 C ATOM 305 CG ARG A 31 20.694 -10.525 -0.228 1.00 19.88 C ATOM 306 CD ARG A 31 22.054 -10.159 -0.836 1.00 25.97 C ATOM 307 NE ARG A 31 22.130 -8.790 -1.386 1.00 31.26 N ATOM 308 CZ ARG A 31 21.447 -8.369 -2.436 1.00 35.12 C ATOM 309 NH1 ARG A 31 20.567 -9.168 -2.987 1.00 38.34 N ATOM 310 NH2 ARG A 31 21.609 -7.143 -2.901 1.00 35.03 N ATOM 311 HE ARG A 31 22.763 -8.112 -0.915 1.00 0.00 H ATOM 312 HH12 ARG A 31 20.022 -8.850 -3.814 1.00 0.00 H ATOM 313 HH11 ARG A 31 20.413 -10.120 -2.598 1.00 0.00 H ATOM 314 HH22 ARG A 31 21.065 -6.824 -3.728 1.00 0.00 H ATOM 315 HH21 ARG A 31 22.280 -6.496 -2.440 1.00 0.00 H ATOM 316 H ARG A 31 19.265 -11.258 2.996 1.00 0.00 H ATOM 317 N PRO A 32 19.584 -14.789 1.134 1.00 12.74 N ATOM 318 CA PRO A 32 19.891 -16.052 1.815 1.00 13.10 C ATOM 319 C PRO A 32 21.363 -16.276 1.922 1.00 12.57 C ATOM 320 O PRO A 32 22.072 -16.040 0.978 1.00 17.09 O ATOM 321 CB PRO A 32 19.258 -17.127 0.914 1.00 14.95 C ATOM 322 CG PRO A 32 19.274 -16.469 -0.482 1.00 15.76 C ATOM 323 CD PRO A 32 19.032 -14.971 -0.219 1.00 15.48 C ATOM 324 N ILE A 33 21.811 -16.739 3.064 1.00 11.55 N ATOM 325 CA ILE A 33 23.179 -17.186 3.271 1.00 11.98 C ATOM 326 C ILE A 33 23.331 -18.555 2.610 1.00 10.99 C ATOM 327 O ILE A 33 22.480 -19.458 2.793 1.00 12.81 O ATOM 328 CB ILE A 33 23.493 -17.294 4.803 1.00 12.07 C ATOM 329 CG1 ILE A 33 23.307 -15.919 5.474 1.00 13.55 C ATOM 330 CG2 ILE A 33 24.904 -17.830 5.039 1.00 13.85 C ATOM 331 CD1 ILE A 33 23.426 -15.956 6.959 1.00 15.92 C ATOM 332 H ILE A 33 21.151 -16.789 3.866 1.00 0.00 H ATOM 333 N THR A 34 24.409 -18.750 1.853 1.00 11.64 N ATOM 334 CA THR A 34 24.596 -20.010 1.144 1.00 12.50 C ATOM 335 C THR A 34 25.257 -21.028 2.082 1.00 12.82 C ATOM 336 O THR A 34 26.442 -21.342 1.972 1.00 16.22 O ATOM 337 CB THR A 34 25.444 -19.782 -0.097 1.00 13.94 C ATOM 338 OG1 THR A 34 24.983 -18.608 -0.813 1.00 15.37 O ATOM 339 CG2 THR A 34 25.352 -21.017 -1.033 1.00 13.78 C ATOM 340 HG1 THR A 34 25.544 -18.472 -1.618 1.00 0.00 H ATOM 341 H THR A 34 25.122 -17.998 1.767 1.00 0.00 H ATOM 342 N THR A 35 24.458 -21.611 2.967 1.00 13.86 N ATOM 343 CA THR A 35 25.030 -22.538 3.947 1.00 14.71 C ATOM 344 C THR A 35 25.165 -23.945 3.378 1.00 16.30 C ATOM 345 O THR A 35 25.960 -24.743 3.917 1.00 18.30 O ATOM 346 CB THR A 35 24.150 -22.650 5.207 1.00 14.71 C ATOM 347 OG1 THR A 35 22.932 -23.340 4.826 1.00 14.97 O ATOM 348 CG2 THR A 35 23.849 -21.303 5.812 1.00 15.44 C ATOM 349 HG1 THR A 35 22.343 -23.428 5.617 1.00 0.00 H ATOM 350 H THR A 35 23.437 -21.412 2.965 1.00 0.00 H ATOM 351 N GLY A 36 24.378 -24.262 2.337 1.00 15.64 N ATOM 352 CA GLY A 36 24.297 -25.590 1.762 1.00 18.88 C ATOM 353 C GLY A 36 23.537 -26.595 2.612 1.00 19.23 C ATOM 354 O GLY A 36 23.591 -27.786 2.245 1.00 22.49 O ATOM 355 H GLY A 36 23.793 -23.511 1.919 1.00 0.00 H ATOM 356 N ASN A 37 22.758 -26.163 3.613 1.00 19.13 N ATOM 357 CA ASN A 37 21.986 -27.082 4.403 1.00 19.91 C ATOM 358 C ASN A 37 20.797 -26.392 5.016 1.00 19.72 C ATOM 359 O ASN A 37 20.689 -25.199 4.955 1.00 20.28 O ATOM 360 CB ASN A 37 22.859 -27.765 5.439 1.00 23.68 C ATOM 361 CG ASN A 37 23.573 -26.870 6.332 1.00 27.08 C ATOM 362 OD1 ASN A 37 23.016 -25.906 6.903 1.00 28.12 O ATOM 363 ND2 ASN A 37 24.901 -27.184 6.489 1.00 29.40 N ATOM 364 HD22 ASN A 37 25.306 -27.999 5.986 1.00 0.00 H ATOM 365 HD21 ASN A 37 25.502 -26.606 7.111 1.00 0.00 H ATOM 366 H ASN A 37 22.711 -25.145 3.822 1.00 0.00 H ATOM 367 N SER A 38 19.870 -27.144 5.585 1.00 20.35 N ATOM 368 CA SER A 38 18.707 -26.619 6.290 1.00 19.88 C ATOM 369 C SER A 38 19.061 -26.128 7.685 1.00 19.27 C ATOM 370 O SER A 38 20.010 -26.619 8.303 1.00 21.79 O ATOM 371 CB SER A 38 17.660 -27.724 6.414 1.00 21.07 C ATOM 372 OG SER A 38 18.279 -28.823 7.048 1.00 22.94 O ATOM 373 HG SER A 38 19.045 -29.130 6.501 1.00 0.00 H ATOM 374 H SER A 38 19.978 -28.177 5.526 1.00 0.00 H ATOM 375 N PRO A 39 18.315 -25.153 8.189 1.00 18.17 N ATOM 376 CA PRO A 39 17.249 -24.398 7.511 1.00 18.86 C ATOM 377 C PRO A 39 17.801 -23.272 6.627 1.00 17.52 C ATOM 378 O PRO A 39 18.994 -22.929 6.725 1.00 16.96 O ATOM 379 CB PRO A 39 16.447 -23.855 8.700 1.00 20.91 C ATOM 380 CG PRO A 39 17.548 -23.521 9.720 1.00 20.41 C ATOM 381 CD PRO A 39 18.557 -24.637 9.561 1.00 19.42 C ATOM 382 N PRO A 40 16.922 -22.669 5.796 1.00 17.62 N ATOM 383 CA PRO A 40 17.331 -21.390 5.200 1.00 16.21 C ATOM 384 C PRO A 40 17.725 -20.408 6.286 1.00 13.66 C ATOM 385 O PRO A 40 17.180 -20.398 7.395 1.00 15.72 O ATOM 386 CB PRO A 40 16.083 -20.927 4.439 1.00 18.85 C ATOM 387 CG PRO A 40 15.218 -22.151 4.322 1.00 20.89 C ATOM 388 CD PRO A 40 15.505 -23.012 5.510 1.00 20.34 C ATOM 389 N ARG A 41 18.687 -19.552 5.957 1.00 13.91 N ATOM 390 CA ARG A 41 19.123 -18.516 6.884 1.00 13.05 C ATOM 391 C ARG A 41 19.284 -17.242 6.100 1.00 12.80 C ATOM 392 O ARG A 41 19.910 -17.256 5.014 1.00 14.91 O ATOM 393 CB ARG A 41 20.453 -18.892 7.568 1.00 14.42 C ATOM 394 CG ARG A 41 20.409 -20.202 8.337 1.00 14.78 C ATOM 395 CD ARG A 41 21.696 -20.496 9.097 1.00 14.67 C ATOM 396 NE ARG A 41 21.690 -21.819 9.703 1.00 15.94 N ATOM 397 CZ ARG A 41 21.344 -22.062 10.962 1.00 15.83 C ATOM 398 NH1 ARG A 41 20.972 -21.028 11.747 1.00 15.78 N ATOM 399 NH2 ARG A 41 21.408 -23.309 11.449 1.00 17.76 N ATOM 400 HE ARG A 41 21.975 -22.626 9.112 1.00 0.00 H ATOM 401 HH12 ARG A 41 20.698 -21.198 12.736 1.00 0.00 H ATOM 402 HH11 ARG A 41 20.960 -20.062 11.363 1.00 0.00 H ATOM 403 HH22 ARG A 41 21.136 -23.497 12.435 1.00 0.00 H ATOM 404 HH21 ARG A 41 21.729 -24.089 10.841 1.00 0.00 H ATOM 405 H ARG A 41 19.136 -19.623 5.022 1.00 0.00 H ATOM 406 N TYR A 42 18.803 -16.146 6.670 1.00 10.65 N ATOM 407 CA TYR A 42 18.807 -14.883 5.977 1.00 10.80 C ATOM 408 C TYR A 42 19.741 -13.865 6.618 1.00 11.02 C ATOM 409 O TYR A 42 19.811 -13.722 7.835 1.00 12.02 O ATOM 410 CB TYR A 42 17.343 -14.289 5.968 1.00 12.07 C ATOM 411 CG TYR A 42 16.455 -15.185 5.138 1.00 12.99 C ATOM 412 CD1 TYR A 42 16.558 -15.213 3.741 1.00 13.05 C ATOM 413 CD2 TYR A 42 15.597 -16.102 5.743 1.00 14.01 C ATOM 414 CE1 TYR A 42 15.823 -16.105 2.958 1.00 14.68 C ATOM 415 CE2 TYR A 42 14.833 -16.995 4.961 1.00 15.47 C ATOM 416 CZ TYR A 42 14.975 -16.976 3.579 1.00 15.15 C ATOM 417 OH TYR A 42 14.242 -17.870 2.794 1.00 19.33 O ATOM 418 HH TYR A 42 13.275 -17.719 2.940 1.00 0.00 H ATOM 419 H TYR A 42 18.416 -16.199 7.634 1.00 0.00 H ATOM 420 N ARG A 43 20.490 -13.157 5.767 1.00 11.38 N ATOM 421 CA ARG A 43 21.358 -12.038 6.129 1.00 11.82 C ATOM 422 C ARG A 43 20.647 -10.769 5.671 1.00 10.84 C ATOM 423 O ARG A 43 20.095 -10.680 4.551 1.00 12.57 O ATOM 424 CB ARG A 43 22.742 -12.187 5.439 1.00 12.51 C ATOM 425 CG ARG A 43 23.720 -11.028 5.669 1.00 14.75 C ATOM 426 CD ARG A 43 25.135 -11.425 5.173 1.00 16.43 C ATOM 427 NE ARG A 43 26.083 -10.352 5.485 1.00 18.84 N ATOM 428 CZ ARG A 43 27.396 -10.429 5.420 1.00 20.92 C ATOM 429 NH1 ARG A 43 28.119 -9.324 5.714 1.00 22.76 N ATOM 430 NH2 ARG A 43 28.007 -11.585 5.140 1.00 23.52 N ATOM 431 HE ARG A 43 25.680 -9.442 5.787 1.00 0.00 H ATOM 432 HH12 ARG A 43 29.158 -9.356 5.671 1.00 0.00 H ATOM 433 HH11 ARG A 43 27.636 -8.443 5.983 1.00 0.00 H ATOM 434 HH22 ARG A 43 29.045 -11.626 5.093 1.00 0.00 H ATOM 435 HH21 ARG A 43 27.444 -12.443 4.969 1.00 0.00 H ATOM 436 H ARG A 43 20.452 -13.425 4.763 1.00 0.00 H ATOM 437 N LEU A 44 20.653 -9.751 6.525 1.00 10.08 N ATOM 438 CA LEU A 44 19.955 -8.477 6.205 1.00 10.59 C ATOM 439 C LEU A 44 20.894 -7.287 6.194 1.00 10.78 C ATOM 440 O LEU A 44 21.782 -7.196 7.055 1.00 11.96 O ATOM 441 CB LEU A 44 18.848 -8.173 7.273 1.00 12.45 C ATOM 442 CG LEU A 44 17.642 -9.123 7.270 1.00 14.13 C ATOM 443 CD1 LEU A 44 17.955 -10.440 7.961 1.00 18.51 C ATOM 444 CD2 LEU A 44 16.469 -8.469 7.972 1.00 17.51 C ATOM 445 H LEU A 44 21.154 -9.846 7.432 1.00 0.00 H ATOM 446 N LEU A 45 20.689 -6.428 5.201 1.00 10.76 N ATOM 447 CA LEU A 45 21.306 -5.092 5.158 1.00 10.91 C ATOM 448 C LEU A 45 20.291 -4.168 5.802 1.00 9.99 C ATOM 449 O LEU A 45 19.159 -4.060 5.267 1.00 11.22 O ATOM 450 CB LEU A 45 21.619 -4.700 3.718 1.00 12.35 C ATOM 451 CG LEU A 45 22.237 -3.314 3.486 1.00 14.04 C ATOM 452 CD1 LEU A 45 23.598 -3.183 4.206 1.00 15.16 C ATOM 453 CD2 LEU A 45 22.313 -3.049 1.960 1.00 15.83 C ATOM 454 H LEU A 45 20.065 -6.712 4.419 1.00 0.00 H ATOM 455 N MET A 46 20.652 -3.547 6.915 1.00 10.44 N ATOM 456 CA MET A 46 19.638 -2.658 7.495 1.00 9.40 C ATOM 457 C MET A 46 20.248 -1.274 7.750 1.00 10.39 C ATOM 458 O MET A 46 21.473 -1.064 7.754 1.00 11.43 O ATOM 459 CB MET A 46 19.025 -3.261 8.804 1.00 9.93 C ATOM 460 CG MET A 46 18.896 -4.771 8.773 1.00 11.90 C ATOM 461 SD MET A 46 18.227 -5.397 10.281 1.00 13.70 S ATOM 462 CE MET A 46 16.497 -4.811 10.301 1.00 12.91 C ATOM 463 H MET A 46 21.588 -3.680 7.348 1.00 0.00 H ATOM 464 N SER A 47 19.338 -0.319 7.912 1.00 9.70 N ATOM 465 CA SER A 47 19.646 1.123 8.043 1.00 9.69 C ATOM 466 C SER A 47 19.077 1.687 9.310 1.00 10.15 C ATOM 467 O SER A 47 17.931 1.361 9.698 1.00 10.25 O ATOM 468 CB SER A 47 19.009 1.815 6.893 1.00 10.78 C ATOM 469 OG SER A 47 19.046 3.245 7.080 1.00 11.55 O ATOM 470 HG SER A 47 18.618 3.689 6.306 1.00 0.00 H ATOM 471 H SER A 47 18.339 -0.605 7.949 1.00 0.00 H ATOM 472 N ASP A 48 19.847 2.541 9.998 1.00 10.21 N ATOM 473 CA ASP A 48 19.285 3.321 11.096 1.00 10.43 C ATOM 474 C ASP A 48 19.094 4.789 10.716 1.00 11.02 C ATOM 475 O ASP A 48 18.901 5.652 11.606 1.00 12.47 O ATOM 476 CB ASP A 48 20.164 3.197 12.352 1.00 10.79 C ATOM 477 CG ASP A 48 21.506 3.870 12.223 1.00 11.90 C ATOM 478 OD1 ASP A 48 21.794 4.463 11.158 1.00 11.84 O ATOM 479 OD2 ASP A 48 22.306 3.853 13.205 1.00 12.60 O ATOM 480 H ASP A 48 20.851 2.649 9.748 1.00 0.00 H ATOM 481 N GLY A 49 19.127 5.079 9.402 1.00 11.96 N ATOM 482 CA GLY A 49 18.982 6.451 8.905 1.00 12.53 C ATOM 483 C GLY A 49 20.312 7.184 8.786 1.00 14.01 C ATOM 484 O GLY A 49 20.369 8.177 8.041 1.00 19.95 O ATOM 485 H GLY A 49 19.259 4.306 8.718 1.00 0.00 H ATOM 486 N LEU A 50 21.297 6.837 9.582 1.00 12.51 N ATOM 487 CA LEU A 50 22.639 7.393 9.531 1.00 13.54 C ATOM 488 C LEU A 50 23.583 6.470 8.797 1.00 12.62 C ATOM 489 O LEU A 50 24.304 6.899 7.886 1.00 13.63 O ATOM 490 CB LEU A 50 23.154 7.640 10.955 1.00 14.60 C ATOM 491 CG LEU A 50 24.577 8.206 11.059 1.00 15.26 C ATOM 492 CD1 LEU A 50 24.720 9.604 10.416 1.00 17.00 C ATOM 493 CD2 LEU A 50 24.961 8.273 12.560 1.00 17.24 C ATOM 494 H LEU A 50 21.103 6.111 10.301 1.00 0.00 H ATOM 495 N ASN A 51 23.599 5.189 9.164 1.00 11.58 N ATOM 496 CA ASN A 51 24.425 4.176 8.558 1.00 11.97 C ATOM 497 C ASN A 51 23.622 2.975 8.085 1.00 11.76 C ATOM 498 O ASN A 51 22.498 2.759 8.550 1.00 12.45 O ATOM 499 CB ASN A 51 25.469 3.680 9.556 1.00 13.28 C ATOM 500 CG ASN A 51 26.504 4.718 9.879 1.00 14.64 C ATOM 501 OD1 ASN A 51 27.278 5.150 8.967 1.00 17.80 O ATOM 502 ND2 ASN A 51 26.568 5.108 11.109 1.00 13.21 N ATOM 503 HD22 ASN A 51 25.908 4.720 11.813 1.00 0.00 H ATOM 504 HD21 ASN A 51 27.279 5.810 11.395 1.00 0.00 H ATOM 505 H ASN A 51 22.972 4.901 9.942 1.00 0.00 H ATOM 506 N THR A 52 24.236 2.206 7.189 1.00 12.12 N ATOM 507 CA THR A 52 23.803 0.822 6.981 1.00 12.83 C ATOM 508 C THR A 52 24.876 -0.100 7.513 1.00 12.76 C ATOM 509 O THR A 52 26.064 0.272 7.661 1.00 14.10 O ATOM 510 CB THR A 52 23.546 0.494 5.517 1.00 14.39 C ATOM 511 OG1 THR A 52 24.767 0.536 4.779 1.00 15.19 O ATOM 512 CG2 THR A 52 22.544 1.411 4.857 1.00 15.95 C ATOM 513 HG1 THR A 52 24.585 0.321 3.830 1.00 0.00 H ATOM 514 H THR A 52 25.027 2.590 6.634 1.00 0.00 H ATOM 515 N LEU A 53 24.436 -1.319 7.839 1.00 13.08 N ATOM 516 CA LEU A 53 25.344 -2.403 8.313 1.00 13.61 C ATOM 517 C LEU A 53 24.820 -3.697 7.692 1.00 12.70 C ATOM 518 O LEU A 53 23.598 -3.949 7.663 1.00 12.10 O ATOM 519 CB LEU A 53 25.376 -2.478 9.870 1.00 15.98 C ATOM 520 CG LEU A 53 26.318 -3.504 10.508 1.00 18.68 C ATOM 521 CD1 LEU A 53 27.797 -3.130 10.422 1.00 22.98 C ATOM 522 CD2 LEU A 53 25.849 -3.748 11.975 1.00 19.76 C ATOM 523 H LEU A 53 23.419 -1.520 7.759 1.00 0.00 H ATOM 524 N SER A 54 25.732 -4.533 7.205 1.00 14.40 N ATOM 525 CA SER A 54 25.366 -5.742 6.456 1.00 14.61 C ATOM 526 C SER A 54 25.399 -7.032 7.266 1.00 12.47 C ATOM 527 O SER A 54 24.977 -8.061 6.793 1.00 13.17 O ATOM 528 CB SER A 54 26.315 -5.927 5.249 1.00 18.38 C ATOM 529 OG SER A 54 27.612 -6.394 5.666 1.00 20.39 O ATOM 530 HG SER A 54 28.015 -5.735 6.285 1.00 0.00 H ATOM 531 H SER A 54 26.739 -4.324 7.360 1.00 0.00 H ATOM 532 N SER A 55 25.872 -6.988 8.496 1.00 12.57 N ATOM 533 CA SER A 55 26.154 -8.207 9.235 1.00 12.59 C ATOM 534 C SER A 55 25.067 -8.545 10.259 1.00 11.86 C ATOM 535 O SER A 55 25.373 -8.933 11.395 1.00 15.26 O ATOM 536 CB SER A 55 27.535 -8.080 9.900 1.00 15.52 C ATOM 537 OG SER A 55 27.627 -6.953 10.784 1.00 15.18 O ATOM 538 HG SER A 55 28.533 -6.920 11.182 1.00 0.00 H ATOM 539 H SER A 55 26.046 -6.066 8.945 1.00 0.00 H ATOM 540 N PHE A 56 23.820 -8.509 9.799 1.00 10.73 N ATOM 541 CA PHE A 56 22.693 -8.992 10.586 1.00 10.70 C ATOM 542 C PHE A 56 22.293 -10.362 10.078 1.00 10.31 C ATOM 543 O PHE A 56 22.165 -10.550 8.857 1.00 11.27 O ATOM 544 CB PHE A 56 21.479 -8.064 10.419 1.00 10.77 C ATOM 545 CG PHE A 56 21.665 -6.710 11.028 1.00 9.65 C ATOM 546 CD1 PHE A 56 22.168 -5.647 10.286 1.00 12.70 C ATOM 547 CD2 PHE A 56 21.303 -6.496 12.356 1.00 11.49 C ATOM 548 CE1 PHE A 56 22.318 -4.374 10.845 1.00 14.38 C ATOM 549 CE2 PHE A 56 21.421 -5.202 12.902 1.00 12.71 C ATOM 550 CZ PHE A 56 21.934 -4.168 12.154 1.00 13.80 C ATOM 551 H PHE A 56 23.644 -8.125 8.849 1.00 0.00 H ATOM 552 N MET A 57 22.043 -11.289 10.995 1.00 10.78 N ATOM 553 CA MET A 57 21.429 -12.559 10.642 1.00 11.07 C ATOM 554 C MET A 57 20.121 -12.712 11.355 1.00 10.87 C ATOM 555 O MET A 57 20.004 -12.408 12.528 1.00 11.98 O ATOM 556 CB MET A 57 22.352 -13.733 11.015 1.00 12.50 C ATOM 557 CG MET A 57 21.805 -15.101 10.551 1.00 12.87 C ATOM 558 SD MET A 57 22.860 -16.516 10.811 1.00 14.22 S ATOM 559 CE MET A 57 22.692 -16.671 12.627 1.00 16.77 C ATOM 560 H MET A 57 22.292 -11.103 11.987 1.00 0.00 H ATOM 561 N LEU A 58 19.105 -13.144 10.633 1.00 10.69 N ATOM 562 CA LEU A 58 17.799 -13.378 11.244 1.00 10.58 C ATOM 563 C LEU A 58 17.741 -14.734 11.971 1.00 10.58 C ATOM 564 O LEU A 58 18.155 -15.768 11.411 1.00 11.92 O ATOM 565 CB LEU A 58 16.723 -13.376 10.178 1.00 11.52 C ATOM 566 CG LEU A 58 15.271 -13.333 10.692 1.00 12.33 C ATOM 567 CD1 LEU A 58 14.965 -11.969 11.352 1.00 13.55 C ATOM 568 CD2 LEU A 58 14.313 -13.558 9.532 1.00 15.16 C ATOM 569 H LEU A 58 19.235 -13.320 9.616 1.00 0.00 H ATOM 570 N ALA A 59 17.200 -14.777 13.184 1.00 11.59 N ATOM 571 CA ALA A 59 17.040 -16.072 13.889 1.00 12.78 C ATOM 572 C ALA A 59 16.020 -16.950 13.208 1.00 12.09 C ATOM 573 O ALA A 59 15.015 -16.468 12.672 1.00 12.87 O ATOM 574 CB ALA A 59 16.596 -15.856 15.341 1.00 14.26 C ATOM 575 H ALA A 59 16.887 -13.897 13.642 1.00 0.00 H ATOM 576 N THR A 60 16.248 -18.266 13.241 1.00 12.07 N ATOM 577 CA THR A 60 15.391 -19.229 12.529 1.00 13.87 C ATOM 578 C THR A 60 13.899 -19.118 12.889 1.00 13.27 C ATOM 579 O THR A 60 13.039 -19.215 11.983 1.00 13.70 O ATOM 580 CB THR A 60 15.839 -20.655 12.898 1.00 14.60 C ATOM 581 OG1 THR A 60 17.135 -20.806 12.361 1.00 16.52 O ATOM 582 CG2 THR A 60 14.961 -21.716 12.296 1.00 16.51 C ATOM 583 HG1 THR A 60 17.474 -21.712 12.570 1.00 0.00 H ATOM 584 H THR A 60 17.058 -18.622 13.788 1.00 0.00 H ATOM 585 N GLN A 61 13.552 -18.834 14.162 1.00 13.98 N ATOM 586 CA GLN A 61 12.122 -18.754 14.498 1.00 15.49 C ATOM 587 C GLN A 61 11.405 -17.598 13.814 1.00 14.02 C ATOM 588 O GLN A 61 10.165 -17.598 13.734 1.00 16.83 O ATOM 589 CB GLN A 61 11.863 -18.681 16.034 1.00 15.52 C ATOM 590 CG GLN A 61 12.067 -20.017 16.734 1.00 16.49 C ATOM 591 CD GLN A 61 11.906 -19.855 18.212 1.00 15.03 C ATOM 592 OE1 GLN A 61 12.888 -19.633 18.924 1.00 14.93 O ATOM 593 NE2 GLN A 61 10.662 -19.928 18.708 1.00 14.25 N ATOM 594 HE22 GLN A 61 9.860 -20.117 18.074 1.00 0.00 H ATOM 595 HE21 GLN A 61 10.500 -19.795 19.727 1.00 0.00 H ATOM 596 H GLN A 61 14.279 -18.675 14.889 1.00 0.00 H ATOM 597 N LEU A 62 12.144 -16.602 13.321 1.00 13.54 N ATOM 598 CA LEU A 62 11.558 -15.486 12.585 1.00 13.34 C ATOM 599 C LEU A 62 11.478 -15.673 11.079 1.00 13.03 C ATOM 600 O LEU A 62 10.928 -14.823 10.375 1.00 14.64 O ATOM 601 CB LEU A 62 12.337 -14.198 12.909 1.00 14.79 C ATOM 602 CG LEU A 62 12.306 -13.812 14.368 1.00 17.45 C ATOM 603 CD1 LEU A 62 13.249 -12.582 14.626 1.00 17.53 C ATOM 604 CD2 LEU A 62 10.904 -13.390 14.815 1.00 22.09 C ATOM 605 H LEU A 62 13.174 -16.622 13.466 1.00 0.00 H ATOM 606 N ASN A 63 11.945 -16.814 10.543 1.00 13.55 N ATOM 607 CA ASN A 63 11.870 -17.043 9.095 1.00 13.96 C ATOM 608 C ASN A 63 10.488 -16.847 8.491 1.00 13.96 C ATOM 609 O ASN A 63 10.399 -16.407 7.347 1.00 15.08 O ATOM 610 CB ASN A 63 12.388 -18.450 8.680 1.00 15.13 C ATOM 611 CG ASN A 63 13.886 -18.531 8.657 1.00 18.06 C ATOM 612 OD1 ASN A 63 14.572 -17.522 8.832 1.00 18.17 O ATOM 613 ND2 ASN A 63 14.427 -19.710 8.424 1.00 18.84 N ATOM 614 HD22 ASN A 63 13.819 -20.542 8.281 1.00 0.00 H ATOM 615 HD21 ASN A 63 15.462 -19.809 8.384 1.00 0.00 H ATOM 616 H ASN A 63 12.363 -17.540 11.159 1.00 0.00 H ATOM 617 N PRO A 64 9.394 -17.242 9.207 1.00 13.89 N ATOM 618 CA PRO A 64 8.085 -17.058 8.542 1.00 15.06 C ATOM 619 C PRO A 64 7.811 -15.597 8.187 1.00 14.30 C ATOM 620 O PRO A 64 7.092 -15.358 7.206 1.00 17.38 O ATOM 621 CB PRO A 64 7.086 -17.575 9.573 1.00 15.93 C ATOM 622 CG PRO A 64 7.885 -18.679 10.331 1.00 15.95 C ATOM 623 CD PRO A 64 9.301 -18.072 10.431 1.00 15.54 C ATOM 624 N LEU A 65 8.370 -14.628 8.917 1.00 14.94 N ATOM 625 CA LEU A 65 8.186 -13.236 8.501 1.00 14.69 C ATOM 626 C LEU A 65 8.772 -12.967 7.131 1.00 14.95 C ATOM 627 O LEU A 65 8.257 -12.125 6.397 1.00 16.07 O ATOM 628 CB LEU A 65 8.836 -12.261 9.483 1.00 16.28 C ATOM 629 CG LEU A 65 8.293 -12.323 10.921 1.00 17.91 C ATOM 630 CD1 LEU A 65 9.107 -11.345 11.804 1.00 18.94 C ATOM 631 CD2 LEU A 65 6.800 -11.941 10.905 1.00 21.64 C ATOM 632 H LEU A 65 8.926 -14.858 9.765 1.00 0.00 H ATOM 633 N VAL A 66 9.889 -13.623 6.788 1.00 14.46 N ATOM 634 CA VAL A 66 10.495 -13.434 5.459 1.00 15.28 C ATOM 635 C VAL A 66 9.691 -14.190 4.413 1.00 15.96 C ATOM 636 O VAL A 66 9.352 -13.660 3.357 1.00 17.32 O ATOM 637 CB VAL A 66 11.995 -13.907 5.423 1.00 15.74 C ATOM 638 CG1 VAL A 66 12.553 -13.928 4.016 1.00 16.39 C ATOM 639 CG2 VAL A 66 12.864 -13.040 6.302 1.00 16.13 C ATOM 640 H VAL A 66 10.333 -14.273 7.468 1.00 0.00 H ATOM 641 N GLU A 67 9.360 -15.447 4.721 1.00 17.81 N ATOM 642 CA GLU A 67 8.679 -16.314 3.787 1.00 19.88 C ATOM 643 C GLU A 67 7.272 -15.786 3.426 1.00 20.67 C ATOM 644 O GLU A 67 6.889 -15.832 2.251 1.00 22.19 O ATOM 645 CB GLU A 67 8.797 -17.767 4.336 1.00 23.08 C ATOM 646 CG GLU A 67 10.276 -18.181 3.905 1.00 29.11 C ATOM 647 CD GLU A 67 11.115 -19.267 4.576 1.00 34.10 C ATOM 648 OE1 GLU A 67 12.306 -19.348 4.106 1.00 33.14 O ATOM 649 OE2 GLU A 67 10.625 -20.070 5.399 1.00 35.53 O ATOM 650 H GLU A 67 9.600 -15.814 5.664 1.00 0.00 H ATOM 651 N GLU A 68 6.574 -15.163 4.396 1.00 22.53 N ATOM 652 CA GLU A 68 5.229 -14.628 4.152 1.00 25.60 C ATOM 653 C GLU A 68 5.219 -13.123 3.874 1.00 24.36 C ATOM 654 O GLU A 68 4.155 -12.514 3.693 1.00 26.30 O ATOM 655 CB GLU A 68 4.311 -15.012 5.329 1.00 30.25 C ATOM 656 CG GLU A 68 4.314 -16.559 5.485 1.00 34.44 C ATOM 657 CD GLU A 68 3.735 -17.127 6.798 1.00 41.29 C ATOM 658 OE1 GLU A 68 2.930 -16.442 7.452 1.00 44.16 O ATOM 659 OE2 GLU A 68 4.082 -18.288 7.177 1.00 44.97 O ATOM 660 H GLU A 68 6.998 -15.059 5.340 1.00 0.00 H ATOM 661 N GLU A 69 6.417 -12.560 3.776 1.00 21.43 N ATOM 662 CA GLU A 69 6.690 -11.211 3.281 1.00 21.37 C ATOM 663 C GLU A 69 6.277 -10.088 4.214 1.00 19.27 C ATOM 664 O GLU A 69 6.263 -8.924 3.812 1.00 20.43 O ATOM 665 CB GLU A 69 6.077 -11.000 1.892 1.00 25.43 C ATOM 666 CG GLU A 69 6.770 -11.886 0.843 1.00 30.44 C ATOM 667 CD GLU A 69 6.157 -11.707 -0.525 1.00 37.07 C ATOM 668 OE1 GLU A 69 5.769 -10.572 -0.872 1.00 39.80 O ATOM 669 OE2 GLU A 69 6.147 -12.681 -1.290 1.00 40.61 O ATOM 670 H GLU A 69 7.234 -13.128 4.078 1.00 0.00 H ATOM 671 N GLN A 70 6.084 -10.376 5.492 1.00 17.87 N ATOM 672 CA GLN A 70 5.832 -9.293 6.447 1.00 18.14 C ATOM 673 C GLN A 70 7.095 -8.497 6.630 1.00 16.04 C ATOM 674 O GLN A 70 7.035 -7.264 6.772 1.00 16.70 O ATOM 675 CB GLN A 70 5.365 -9.811 7.796 1.00 20.16 C ATOM 676 CG GLN A 70 3.943 -10.332 7.788 1.00 24.67 C ATOM 677 CD GLN A 70 3.849 -11.794 7.451 1.00 28.00 C ATOM 678 OE1 GLN A 70 4.877 -12.517 7.379 1.00 28.63 O ATOM 679 NE2 GLN A 70 2.628 -12.247 7.206 1.00 31.26 N ATOM 680 HE22 GLN A 70 1.811 -11.607 7.280 1.00 0.00 H ATOM 681 HE21 GLN A 70 2.486 -13.242 6.940 1.00 0.00 H ATOM 682 H GLN A 70 6.111 -11.364 5.816 1.00 0.00 H ATOM 683 N LEU A 71 8.236 -9.178 6.657 1.00 15.35 N ATOM 684 CA LEU A 71 9.526 -8.556 6.736 1.00 15.06 C ATOM 685 C LEU A 71 10.120 -8.522 5.339 1.00 13.66 C ATOM 686 O LEU A 71 10.471 -9.579 4.800 1.00 15.37 O ATOM 687 CB LEU A 71 10.425 -9.332 7.725 1.00 16.09 C ATOM 688 CG LEU A 71 11.779 -8.717 8.106 1.00 15.65 C ATOM 689 CD1 LEU A 71 11.588 -7.490 8.953 1.00 16.82 C ATOM 690 CD2 LEU A 71 12.613 -9.806 8.830 1.00 17.48 C ATOM 691 H LEU A 71 8.191 -10.216 6.619 1.00 0.00 H ATOM 692 N SER A 72 10.245 -7.339 4.730 1.00 13.61 N ATOM 693 CA SER A 72 10.742 -7.235 3.350 1.00 14.75 C ATOM 694 C SER A 72 11.376 -5.870 3.152 1.00 13.78 C ATOM 695 O SER A 72 11.204 -4.968 3.968 1.00 14.15 O ATOM 696 CB SER A 72 9.637 -7.446 2.329 1.00 17.48 C ATOM 697 OG SER A 72 8.662 -6.432 2.442 1.00 18.03 O ATOM 698 HG SER A 72 7.950 -6.584 1.771 1.00 0.00 H ATOM 699 H SER A 72 9.985 -6.473 5.243 1.00 0.00 H ATOM 700 N SER A 73 12.109 -5.707 2.060 1.00 13.62 N ATOM 701 CA SER A 73 12.819 -4.470 1.772 1.00 13.48 C ATOM 702 C SER A 73 11.872 -3.268 1.834 1.00 13.26 C ATOM 703 O SER A 73 10.795 -3.279 1.230 1.00 14.88 O ATOM 704 CB SER A 73 13.490 -4.580 0.382 1.00 16.28 C ATOM 705 OG SER A 73 14.019 -3.335 -0.069 1.00 16.68 O ATOM 706 HG SER A 73 14.436 -3.458 -0.959 1.00 0.00 H ATOM 707 H SER A 73 12.179 -6.493 1.383 1.00 0.00 H ATOM 708 N ASN A 74 12.315 -2.254 2.564 1.00 11.89 N ATOM 709 CA ASN A 74 11.690 -0.951 2.846 1.00 11.05 C ATOM 710 C ASN A 74 10.864 -0.968 4.114 1.00 10.40 C ATOM 711 O ASN A 74 10.511 0.116 4.609 1.00 12.07 O ATOM 712 CB ASN A 74 10.810 -0.390 1.715 1.00 14.66 C ATOM 713 CG ASN A 74 11.612 -0.093 0.481 1.00 15.36 C ATOM 714 OD1 ASN A 74 12.850 -0.034 0.544 1.00 17.00 O ATOM 715 ND2 ASN A 74 10.955 0.135 -0.616 1.00 19.96 N ATOM 716 HD22 ASN A 74 9.917 0.074 -0.623 1.00 0.00 H ATOM 717 HD21 ASN A 74 11.467 0.378 -1.488 1.00 0.00 H ATOM 718 H ASN A 74 13.246 -2.401 3.005 1.00 0.00 H ATOM 719 N CYS A 75 10.519 -2.136 4.699 1.00 10.87 N ATOM 720 CA CYS A 75 9.724 -2.078 5.935 1.00 10.87 C ATOM 721 C CYS A 75 10.562 -1.498 7.114 1.00 10.99 C ATOM 722 O CYS A 75 11.835 -1.479 7.090 1.00 11.32 O ATOM 723 CB CYS A 75 9.161 -3.480 6.277 1.00 12.18 C ATOM 724 SG CYS A 75 10.284 -4.570 7.204 1.00 14.29 S ATOM 725 H CYS A 75 10.806 -3.047 4.288 1.00 0.00 H ATOM 726 N VAL A 76 9.836 -0.992 8.115 1.00 10.91 N ATOM 727 CA VAL A 76 10.471 -0.441 9.296 1.00 10.78 C ATOM 728 C VAL A 76 10.101 -1.357 10.477 1.00 11.46 C ATOM 729 O VAL A 76 8.911 -1.694 10.679 1.00 12.33 O ATOM 730 CB VAL A 76 10.008 1.013 9.548 1.00 12.10 C ATOM 731 CG1 VAL A 76 10.422 1.473 10.951 1.00 12.38 C ATOM 732 CG2 VAL A 76 10.565 1.932 8.442 1.00 13.00 C ATOM 733 H VAL A 76 8.798 -0.993 8.046 1.00 0.00 H ATOM 734 N CYS A 77 11.118 -1.763 11.223 1.00 10.24 N ATOM 735 CA CYS A 77 10.910 -2.712 12.307 1.00 11.66 C ATOM 736 C CYS A 77 11.618 -2.272 13.593 1.00 11.03 C ATOM 737 O CYS A 77 12.588 -1.514 13.551 1.00 13.14 O ATOM 738 CB CYS A 77 11.348 -4.132 11.878 1.00 13.62 C ATOM 739 SG CYS A 77 13.086 -4.274 11.471 1.00 14.58 S ATOM 740 H CYS A 77 12.074 -1.400 11.032 1.00 0.00 H ATOM 741 N GLN A 78 11.098 -2.725 14.725 1.00 11.27 N ATOM 742 CA GLN A 78 11.764 -2.502 15.976 1.00 11.89 C ATOM 743 C GLN A 78 12.389 -3.811 16.455 1.00 11.90 C ATOM 744 O GLN A 78 11.711 -4.868 16.491 1.00 12.89 O ATOM 745 CB GLN A 78 10.807 -1.962 17.055 1.00 13.77 C ATOM 746 CG GLN A 78 11.646 -1.706 18.349 1.00 14.18 C ATOM 747 CD GLN A 78 10.859 -1.017 19.472 1.00 15.61 C ATOM 748 OE1 GLN A 78 9.722 -1.347 19.768 1.00 15.88 O ATOM 749 NE2 GLN A 78 11.442 0.003 20.024 1.00 17.83 N ATOM 750 HE22 GLN A 78 12.412 0.259 19.750 1.00 0.00 H ATOM 751 HE21 GLN A 78 10.939 0.565 20.740 1.00 0.00 H ATOM 752 H GLN A 78 10.199 -3.247 14.706 1.00 0.00 H ATOM 753 N ILE A 79 13.662 -3.753 16.823 1.00 11.80 N ATOM 754 CA ILE A 79 14.342 -4.962 17.332 1.00 12.46 C ATOM 755 C ILE A 79 14.089 -5.081 18.828 1.00 13.54 C ATOM 756 O ILE A 79 14.471 -4.197 19.597 1.00 16.40 O ATOM 757 CB ILE A 79 15.869 -4.930 17.033 1.00 12.32 C ATOM 758 CG1 ILE A 79 16.133 -4.589 15.550 1.00 13.03 C ATOM 759 CG2 ILE A 79 16.461 -6.228 17.421 1.00 13.66 C ATOM 760 CD1 ILE A 79 15.333 -5.439 14.559 1.00 15.69 C ATOM 761 H ILE A 79 14.182 -2.855 16.753 1.00 0.00 H ATOM 762 N HIS A 80 13.457 -6.169 19.256 1.00 13.09 N ATOM 763 CA HIS A 80 13.162 -6.356 20.673 1.00 13.37 C ATOM 764 C HIS A 80 14.174 -7.174 21.413 1.00 14.11 C ATOM 765 O HIS A 80 14.293 -7.064 22.625 1.00 17.11 O ATOM 766 CB HIS A 80 11.763 -6.962 20.841 1.00 15.00 C ATOM 767 CG HIS A 80 10.692 -5.976 20.566 1.00 16.63 C ATOM 768 ND1 HIS A 80 10.389 -4.981 21.468 1.00 21.85 N ATOM 769 CD2 HIS A 80 9.930 -5.750 19.483 1.00 21.02 C ATOM 770 CE1 HIS A 80 9.428 -4.217 20.965 1.00 22.74 C ATOM 771 NE2 HIS A 80 9.118 -4.680 19.766 1.00 21.02 N ATOM 772 H HIS A 80 13.169 -6.897 18.572 1.00 0.00 H ATOM 773 N ARG A 81 14.918 -8.031 20.705 1.00 13.57 N ATOM 774 CA ARG A 81 15.985 -8.798 21.363 1.00 14.12 C ATOM 775 C ARG A 81 17.001 -9.181 20.293 1.00 13.13 C ATOM 776 O ARG A 81 16.620 -9.671 19.196 1.00 13.00 O ATOM 777 CB ARG A 81 15.452 -10.049 22.048 1.00 15.70 C ATOM 778 CG ARG A 81 16.550 -10.726 22.895 1.00 17.30 C ATOM 779 CD ARG A 81 15.985 -11.743 23.902 1.00 21.61 C ATOM 780 NE ARG A 81 15.298 -12.837 23.226 1.00 23.85 N ATOM 781 CZ ARG A 81 15.907 -13.951 22.830 1.00 25.95 C ATOM 782 NH1 ARG A 81 17.208 -14.094 23.047 1.00 27.21 N ATOM 783 NH2 ARG A 81 15.213 -14.925 22.240 1.00 27.18 N ATOM 784 HE ARG A 81 14.279 -12.741 23.044 1.00 0.00 H ATOM 785 HH12 ARG A 81 17.694 -14.961 22.741 1.00 0.00 H ATOM 786 HH11 ARG A 81 17.742 -13.339 23.523 1.00 0.00 H ATOM 787 HH22 ARG A 81 15.695 -15.794 21.932 1.00 0.00 H ATOM 788 HH21 ARG A 81 14.190 -14.816 22.087 1.00 0.00 H ATOM 789 H ARG A 81 14.741 -8.155 19.688 1.00 0.00 H ATOM 790 N PHE A 82 18.267 -8.936 20.571 1.00 13.59 N ATOM 791 CA PHE A 82 19.325 -9.298 19.640 1.00 12.62 C ATOM 792 C PHE A 82 20.565 -9.668 20.432 1.00 12.81 C ATOM 793 O PHE A 82 20.717 -9.335 21.614 1.00 15.53 O ATOM 794 CB PHE A 82 19.622 -8.161 18.612 1.00 12.40 C ATOM 795 CG PHE A 82 20.214 -6.911 19.192 1.00 13.11 C ATOM 796 CD1 PHE A 82 19.377 -5.938 19.746 1.00 14.44 C ATOM 797 CD2 PHE A 82 21.592 -6.660 19.124 1.00 13.60 C ATOM 798 CE1 PHE A 82 19.917 -4.753 20.259 1.00 15.79 C ATOM 799 CE2 PHE A 82 22.131 -5.454 19.616 1.00 15.69 C ATOM 800 CZ PHE A 82 21.271 -4.516 20.183 1.00 14.91 C ATOM 801 H PHE A 82 18.513 -8.476 21.471 1.00 0.00 H ATOM 802 N ILE A 83 21.433 -10.426 19.757 1.00 13.45 N ATOM 803 CA ILE A 83 22.700 -10.861 20.311 1.00 15.84 C ATOM 804 C ILE A 83 23.849 -10.325 19.448 1.00 15.45 C ATOM 805 O ILE A 83 23.683 -10.248 18.225 1.00 15.08 O ATOM 806 CB ILE A 83 22.766 -12.412 20.298 1.00 19.12 C ATOM 807 CG1 ILE A 83 21.709 -12.966 21.261 1.00 23.06 C ATOM 808 CG2 ILE A 83 24.180 -12.980 20.655 1.00 20.83 C ATOM 809 CD1 ILE A 83 21.347 -14.441 21.050 1.00 25.66 C ATOM 810 H ILE A 83 21.189 -10.718 18.789 1.00 0.00 H ATOM 811 N VAL A 84 24.954 -9.918 20.082 1.00 15.43 N ATOM 812 CA VAL A 84 26.150 -9.488 19.376 1.00 16.10 C ATOM 813 C VAL A 84 27.193 -10.581 19.532 1.00 15.91 C ATOM 814 O VAL A 84 27.472 -11.009 20.668 1.00 18.04 O ATOM 815 CB VAL A 84 26.685 -8.135 19.909 1.00 18.22 C ATOM 816 CG1 VAL A 84 28.088 -7.809 19.330 1.00 21.17 C ATOM 817 CG2 VAL A 84 25.694 -6.998 19.518 1.00 20.07 C ATOM 818 H VAL A 84 24.958 -9.909 21.122 1.00 0.00 H ATOM 819 N ASN A 85 27.711 -11.087 18.427 1.00 15.33 N ATOM 820 CA ASN A 85 28.832 -12.007 18.497 1.00 15.68 C ATOM 821 C ASN A 85 30.017 -11.437 17.729 1.00 13.60 C ATOM 822 O ASN A 85 29.943 -11.229 16.513 1.00 16.36 O ATOM 823 CB ASN A 85 28.437 -13.362 17.921 1.00 18.37 C ATOM 824 CG ASN A 85 29.391 -14.344 18.295 1.00 24.53 C ATOM 825 OD1 ASN A 85 29.459 -14.742 19.473 1.00 28.99 O ATOM 826 ND2 ASN A 85 30.249 -14.669 17.360 1.00 27.22 N ATOM 827 HD22 ASN A 85 30.131 -14.299 16.395 1.00 0.00 H ATOM 828 HD21 ASN A 85 31.048 -15.297 17.583 1.00 0.00 H ATOM 829 H ASN A 85 27.314 -10.825 17.502 1.00 0.00 H ATOM 830 N THR A 86 31.124 -11.235 18.429 1.00 13.30 N ATOM 831 CA THR A 86 32.306 -10.612 17.820 1.00 12.80 C ATOM 832 C THR A 86 33.225 -11.757 17.302 1.00 13.96 C ATOM 833 O THR A 86 33.610 -12.665 18.062 1.00 14.40 O ATOM 834 CB THR A 86 33.031 -9.730 18.837 1.00 13.06 C ATOM 835 OG1 THR A 86 32.113 -8.738 19.332 1.00 13.96 O ATOM 836 CG2 THR A 86 34.241 -9.017 18.224 1.00 14.48 C ATOM 837 HG1 THR A 86 32.575 -8.162 19.992 1.00 0.00 H ATOM 838 H THR A 86 31.156 -11.523 19.428 1.00 0.00 H ATOM 839 N LEU A 87 33.555 -11.684 16.017 1.00 12.97 N ATOM 840 CA LEU A 87 34.411 -12.686 15.362 1.00 13.36 C ATOM 841 C LEU A 87 35.858 -12.487 15.753 1.00 14.66 C ATOM 842 O LEU A 87 36.230 -11.471 16.306 1.00 14.84 O ATOM 843 CB LEU A 87 34.227 -12.576 13.845 1.00 15.69 C ATOM 844 CG LEU A 87 32.782 -12.717 13.327 1.00 15.61 C ATOM 845 CD1 LEU A 87 32.799 -12.681 11.799 1.00 17.67 C ATOM 846 CD2 LEU A 87 32.159 -14.019 13.782 1.00 18.62 C ATOM 847 H LEU A 87 33.195 -10.888 15.453 1.00 0.00 H ATOM 848 N LYS A 88 36.669 -13.479 15.463 1.00 14.35 N ATOM 849 CA LYS A 88 38.060 -13.397 15.829 1.00 14.55 C ATOM 850 C LYS A 88 38.754 -12.200 15.204 1.00 17.05 C ATOM 851 O LYS A 88 39.646 -11.608 15.844 1.00 19.65 O ATOM 852 CB LYS A 88 38.779 -14.694 15.434 1.00 16.07 C ATOM 853 CG LYS A 88 38.303 -15.897 16.206 1.00 18.91 C ATOM 854 CD LYS A 88 39.141 -17.062 15.851 1.00 22.21 C ATOM 855 CE LYS A 88 38.577 -17.724 14.646 1.00 25.69 C ATOM 856 NZ LYS A 88 38.997 -19.157 14.683 1.00 28.45 N ATOM 857 HZ1 LYS A 88 40.035 -19.213 14.677 1.00 0.00 H ATOM 858 HZ2 LYS A 88 38.630 -19.602 15.548 1.00 0.00 H ATOM 859 HZ3 LYS A 88 38.617 -19.650 13.850 1.00 0.00 H ATOM 860 H LYS A 88 36.308 -14.321 14.971 1.00 0.00 H ATOM 861 N ASP A 89 38.319 -11.802 14.008 1.00 17.60 N ATOM 862 CA ASP A 89 38.970 -10.689 13.322 1.00 18.92 C ATOM 863 C ASP A 89 38.405 -9.306 13.716 1.00 18.78 C ATOM 864 O ASP A 89 38.839 -8.257 13.198 1.00 19.25 O ATOM 865 CB ASP A 89 38.933 -10.899 11.791 1.00 20.00 C ATOM 866 CG ASP A 89 37.532 -10.833 11.188 1.00 21.24 C ATOM 867 OD1 ASP A 89 36.591 -10.304 11.808 1.00 21.00 O ATOM 868 OD2 ASP A 89 37.369 -11.313 10.036 1.00 24.80 O ATOM 869 H ASP A 89 37.513 -12.286 13.562 1.00 0.00 H ATOM 870 N GLY A 90 37.449 -9.304 14.642 1.00 17.20 N ATOM 871 CA GLY A 90 36.879 -8.042 15.161 1.00 17.86 C ATOM 872 C GLY A 90 35.564 -7.582 14.560 1.00 17.61 C ATOM 873 O GLY A 90 34.913 -6.723 15.124 1.00 18.52 O ATOM 874 H GLY A 90 37.095 -10.210 15.009 1.00 0.00 H ATOM 875 N ARG A 91 35.136 -8.176 13.446 1.00 17.71 N ATOM 876 CA ARG A 91 33.825 -7.866 12.888 1.00 17.88 C ATOM 877 C ARG A 91 32.757 -8.332 13.870 1.00 15.09 C ATOM 878 O ARG A 91 33.012 -9.267 14.670 1.00 15.65 O ATOM 879 CB ARG A 91 33.614 -8.524 11.528 1.00 19.64 C ATOM 880 CG ARG A 91 34.484 -7.876 10.436 1.00 20.25 C ATOM 881 CD ARG A 91 34.329 -8.682 9.092 1.00 21.73 C ATOM 882 NE ARG A 91 34.856 -10.041 9.215 1.00 21.51 N ATOM 883 CZ ARG A 91 34.359 -11.106 8.587 1.00 21.66 C ATOM 884 NH1 ARG A 91 34.946 -12.286 8.777 1.00 21.64 N ATOM 885 NH2 ARG A 91 33.302 -10.991 7.767 1.00 21.67 N ATOM 886 HE ARG A 91 35.677 -10.186 9.837 1.00 0.00 H ATOM 887 HH12 ARG A 91 34.578 -13.133 8.299 1.00 0.00 H ATOM 888 HH11 ARG A 91 35.773 -12.361 9.404 1.00 0.00 H ATOM 889 HH22 ARG A 91 32.925 -11.831 7.284 1.00 0.00 H ATOM 890 HH21 ARG A 91 32.860 -10.062 7.615 1.00 0.00 H ATOM 891 H ARG A 91 35.746 -8.870 12.968 1.00 0.00 H ATOM 892 N ARG A 92 31.569 -7.705 13.855 1.00 16.34 N ATOM 893 CA ARG A 92 30.473 -8.105 14.739 1.00 15.77 C ATOM 894 C ARG A 92 29.252 -8.584 13.981 1.00 16.57 C ATOM 895 O ARG A 92 28.726 -7.863 13.131 1.00 21.13 O ATOM 896 CB ARG A 92 30.105 -6.945 15.690 1.00 16.86 C ATOM 897 CG ARG A 92 31.103 -6.892 16.840 1.00 17.99 C ATOM 898 CD ARG A 92 30.957 -5.680 17.745 1.00 17.72 C ATOM 899 NE ARG A 92 31.690 -5.902 18.996 1.00 16.26 N ATOM 900 CZ ARG A 92 31.979 -4.951 19.874 1.00 18.36 C ATOM 901 NH1 ARG A 92 31.617 -3.673 19.648 1.00 21.65 N ATOM 902 NH2 ARG A 92 32.659 -5.246 20.985 1.00 15.65 N ATOM 903 HE ARG A 92 32.004 -6.870 19.209 1.00 0.00 H ATOM 904 HH12 ARG A 92 31.849 -2.936 20.344 1.00 0.00 H ATOM 905 HH11 ARG A 92 31.105 -3.424 18.778 1.00 0.00 H ATOM 906 HH22 ARG A 92 32.884 -4.498 21.671 1.00 0.00 H ATOM 907 HH21 ARG A 92 32.964 -6.224 21.164 1.00 0.00 H ATOM 908 H ARG A 92 31.424 -6.913 13.197 1.00 0.00 H ATOM 909 N VAL A 93 28.778 -9.780 14.321 1.00 14.07 N ATOM 910 CA VAL A 93 27.566 -10.279 13.728 1.00 12.84 C ATOM 911 C VAL A 93 26.442 -9.975 14.734 1.00 12.85 C ATOM 912 O VAL A 93 26.580 -10.195 15.939 1.00 14.88 O ATOM 913 CB VAL A 93 27.667 -11.789 13.432 1.00 14.79 C ATOM 914 CG1 VAL A 93 26.359 -12.311 12.917 1.00 14.60 C ATOM 915 CG2 VAL A 93 28.791 -12.072 12.420 1.00 16.75 C ATOM 916 H VAL A 93 29.287 -10.358 15.020 1.00 0.00 H ATOM 917 N VAL A 94 25.342 -9.478 14.214 1.00 12.26 N ATOM 918 CA VAL A 94 24.174 -9.178 15.036 1.00 11.76 C ATOM 919 C VAL A 94 23.073 -10.137 14.688 1.00 11.92 C ATOM 920 O VAL A 94 22.610 -10.156 13.567 1.00 14.45 O ATOM 921 CB VAL A 94 23.716 -7.687 14.792 1.00 13.78 C ATOM 922 CG1 VAL A 94 22.484 -7.346 15.669 1.00 15.73 C ATOM 923 CG2 VAL A 94 24.870 -6.706 15.099 1.00 15.27 C ATOM 924 H VAL A 94 25.303 -9.294 13.191 1.00 0.00 H ATOM 925 N ILE A 95 22.690 -10.973 15.662 1.00 12.26 N ATOM 926 CA ILE A 95 21.631 -11.956 15.432 1.00 12.61 C ATOM 927 C ILE A 95 20.318 -11.426 15.999 1.00 11.58 C ATOM 928 O ILE A 95 20.202 -11.141 17.199 1.00 12.94 O ATOM 929 CB ILE A 95 21.971 -13.374 16.007 1.00 14.37 C ATOM 930 CG1 ILE A 95 23.382 -13.841 15.497 1.00 15.10 C ATOM 931 CG2 ILE A 95 20.934 -14.337 15.580 1.00 15.28 C ATOM 932 CD1 ILE A 95 24.473 -13.528 16.452 1.00 17.74 C ATOM 933 H ILE A 95 23.151 -10.923 16.593 1.00 0.00 H ATOM 934 N LEU A 96 19.351 -11.262 15.086 1.00 11.19 N ATOM 935 CA LEU A 96 18.063 -10.671 15.450 1.00 11.16 C ATOM 936 C LEU A 96 17.147 -11.792 15.968 1.00 11.00 C ATOM 937 O LEU A 96 16.721 -12.662 15.193 1.00 12.38 O ATOM 938 CB LEU A 96 17.436 -9.988 14.214 1.00 11.35 C ATOM 939 CG LEU A 96 18.291 -8.891 13.557 1.00 11.56 C ATOM 940 CD1 LEU A 96 17.576 -8.428 12.321 1.00 13.95 C ATOM 941 CD2 LEU A 96 18.545 -7.745 14.557 1.00 13.34 C ATOM 942 H LEU A 96 19.519 -11.559 14.104 1.00 0.00 H ATOM 943 N MET A 97 16.835 -11.804 17.267 1.00 11.95 N ATOM 944 CA MET A 97 16.098 -12.861 17.921 1.00 12.81 C ATOM 945 C MET A 97 14.604 -12.576 18.010 1.00 12.89 C ATOM 946 O MET A 97 13.798 -13.522 17.934 1.00 14.19 O ATOM 947 CB MET A 97 16.642 -13.124 19.319 1.00 14.07 C ATOM 948 CG MET A 97 18.166 -13.435 19.328 1.00 15.79 C ATOM 949 SD MET A 97 18.732 -14.770 18.293 1.00 17.22 S ATOM 950 CE MET A 97 17.807 -16.055 19.012 1.00 20.97 C ATOM 951 H MET A 97 17.144 -10.998 17.847 1.00 0.00 H ATOM 952 N GLU A 98 14.228 -11.315 18.237 1.00 13.19 N ATOM 953 CA GLU A 98 12.826 -10.922 18.369 1.00 13.24 C ATOM 954 C GLU A 98 12.677 -9.573 17.666 1.00 12.51 C ATOM 955 O GLU A 98 13.505 -8.682 17.874 1.00 12.84 O ATOM 956 CB GLU A 98 12.386 -10.748 19.834 1.00 15.20 C ATOM 957 CG GLU A 98 12.430 -11.999 20.673 1.00 18.90 C ATOM 958 CD GLU A 98 12.169 -11.651 22.138 1.00 23.13 C ATOM 959 OE1 GLU A 98 11.580 -10.569 22.475 1.00 28.27 O ATOM 960 OE2 GLU A 98 12.561 -12.484 22.967 1.00 26.72 O ATOM 961 H GLU A 98 14.962 -10.583 18.323 1.00 0.00 H ATOM 962 N LEU A 99 11.670 -9.394 16.823 1.00 13.40 N ATOM 963 CA LEU A 99 11.412 -8.074 16.253 1.00 14.03 C ATOM 964 C LEU A 99 9.950 -7.934 15.888 1.00 16.13 C ATOM 965 O LEU A 99 9.206 -8.941 15.785 1.00 17.82 O ATOM 966 CB LEU A 99 12.301 -7.805 15.047 1.00 15.73 C ATOM 967 CG LEU A 99 12.066 -8.698 13.833 1.00 15.49 C ATOM 968 CD1 LEU A 99 10.930 -8.197 12.891 1.00 17.13 C ATOM 969 CD2 LEU A 99 13.383 -8.815 12.957 1.00 17.82 C ATOM 970 H LEU A 99 11.061 -10.197 16.566 1.00 0.00 H ATOM 971 N GLU A 100 9.544 -6.695 15.702 1.00 14.50 N ATOM 972 CA GLU A 100 8.204 -6.344 15.320 1.00 14.33 C ATOM 973 C GLU A 100 8.232 -5.442 14.113 1.00 11.86 C ATOM 974 O GLU A 100 8.968 -4.444 14.071 1.00 13.96 O ATOM 975 CB GLU A 100 7.528 -5.618 16.477 1.00 17.75 C ATOM 976 CG GLU A 100 6.243 -5.045 16.206 1.00 21.85 C ATOM 977 CD GLU A 100 5.749 -4.173 17.359 1.00 25.08 C ATOM 978 OE1 GLU A 100 4.620 -3.704 17.268 1.00 24.50 O ATOM 979 OE2 GLU A 100 6.499 -3.927 18.367 1.00 27.46 O ATOM 980 H GLU A 100 10.232 -5.927 15.839 1.00 0.00 H ATOM 981 N VAL A 101 7.416 -5.700 13.120 1.00 12.47 N ATOM 982 CA VAL A 101 7.310 -4.822 11.963 1.00 12.87 C ATOM 983 C VAL A 101 6.331 -3.706 12.313 1.00 13.01 C ATOM 984 O VAL A 101 5.147 -3.947 12.620 1.00 16.95 O ATOM 985 CB VAL A 101 6.856 -5.596 10.706 1.00 13.73 C ATOM 986 CG1 VAL A 101 6.724 -4.587 9.553 1.00 15.85 C ATOM 987 CG2 VAL A 101 7.853 -6.702 10.348 1.00 15.78 C ATOM 988 H VAL A 101 6.827 -6.556 13.160 1.00 0.00 H ATOM 989 N LEU A 102 6.826 -2.463 12.348 1.00 12.68 N ATOM 990 CA LEU A 102 6.017 -1.306 12.710 1.00 12.67 C ATOM 991 C LEU A 102 5.261 -0.795 11.486 1.00 13.58 C ATOM 992 O LEU A 102 4.160 -0.302 11.641 1.00 15.97 O ATOM 993 CB LEU A 102 6.886 -0.170 13.280 1.00 14.27 C ATOM 994 CG LEU A 102 7.657 -0.523 14.517 1.00 16.12 C ATOM 995 CD1 LEU A 102 8.396 0.717 14.971 1.00 16.47 C ATOM 996 CD2 LEU A 102 6.755 -1.029 15.654 1.00 18.27 C ATOM 997 H LEU A 102 7.827 -2.317 12.107 1.00 0.00 H ATOM 998 N LYS A 103 5.899 -0.805 10.298 1.00 13.39 N ATOM 999 CA LYS A 103 5.278 -0.332 9.068 1.00 13.13 C ATOM 1000 C LYS A 103 5.721 -1.237 7.944 1.00 12.52 C ATOM 1001 O LYS A 103 6.934 -1.476 7.769 1.00 13.41 O ATOM 1002 CB LYS A 103 5.689 1.105 8.720 1.00 16.82 C ATOM 1003 CG LYS A 103 5.150 2.188 9.596 1.00 20.35 C ATOM 1004 CD LYS A 103 5.510 3.597 9.028 1.00 21.37 C ATOM 1005 CE LYS A 103 4.761 3.963 7.740 1.00 21.79 C ATOM 1006 NZ LYS A 103 4.940 5.442 7.326 1.00 21.97 N ATOM 1007 HZ1 LYS A 103 4.581 6.058 8.083 1.00 0.00 H ATOM 1008 HZ2 LYS A 103 5.949 5.637 7.168 1.00 0.00 H ATOM 1009 HZ3 LYS A 103 4.409 5.622 6.450 1.00 0.00 H ATOM 1010 H LYS A 103 6.874 -1.165 10.258 1.00 0.00 H ATOM 1011 N SER A 104 4.785 -1.724 7.170 1.00 13.32 N ATOM 1012 CA SER A 104 5.100 -2.615 6.073 1.00 14.48 C ATOM 1013 C SER A 104 5.863 -1.911 4.951 1.00 13.11 C ATOM 1014 O SER A 104 5.871 -0.693 4.844 1.00 14.09 O ATOM 1015 CB SER A 104 3.804 -3.192 5.504 1.00 16.16 C ATOM 1016 OG SER A 104 3.196 -2.150 4.716 1.00 17.68 O ATOM 1017 HG SER A 104 2.349 -2.484 4.327 1.00 0.00 H ATOM 1018 H SER A 104 3.793 -1.465 7.347 1.00 0.00 H ATOM 1019 N ALA A 105 6.535 -2.684 4.115 1.00 14.16 N ATOM 1020 CA ALA A 105 7.231 -2.141 2.959 1.00 13.56 C ATOM 1021 C ALA A 105 6.308 -1.292 2.095 1.00 15.16 C ATOM 1022 O ALA A 105 6.703 -0.222 1.594 1.00 15.36 O ATOM 1023 CB ALA A 105 7.816 -3.300 2.123 1.00 15.71 C ATOM 1024 H ALA A 105 6.567 -3.709 4.289 1.00 0.00 H ATOM 1025 N GLU A 106 5.061 -1.726 1.898 1.00 16.08 N ATOM 1026 CA GLU A 106 4.165 -0.959 1.046 1.00 18.24 C ATOM 1027 C GLU A 106 3.769 0.369 1.680 1.00 17.22 C ATOM 1028 O GLU A 106 3.624 1.386 0.978 1.00 17.99 O ATOM 1029 CB GLU A 106 2.940 -1.830 0.713 1.00 21.07 C ATOM 1030 CG GLU A 106 3.301 -3.044 -0.157 1.00 25.95 C ATOM 1031 CD GLU A 106 4.224 -4.138 0.523 1.00 28.05 C ATOM 1032 OE1 GLU A 106 4.098 -4.376 1.811 1.00 26.01 O ATOM 1033 OE2 GLU A 106 5.059 -4.724 -0.293 1.00 29.23 O ATOM 1034 H GLU A 106 4.733 -2.604 2.349 1.00 0.00 H ATOM 1035 N ALA A 107 3.578 0.350 2.998 1.00 16.05 N ATOM 1036 CA ALA A 107 3.199 1.557 3.739 1.00 15.64 C ATOM 1037 C ALA A 107 4.332 2.558 3.735 1.00 16.65 C ATOM 1038 O ALA A 107 4.110 3.765 3.664 1.00 18.96 O ATOM 1039 CB ALA A 107 2.817 1.204 5.205 1.00 18.51 C ATOM 1040 H ALA A 107 3.701 -0.544 3.515 1.00 0.00 H ATOM 1041 N VAL A 108 5.575 2.091 3.803 1.00 15.79 N ATOM 1042 CA VAL A 108 6.724 3.043 3.819 1.00 15.92 C ATOM 1043 C VAL A 108 7.003 3.526 2.410 1.00 15.41 C ATOM 1044 O VAL A 108 7.124 4.746 2.166 1.00 18.41 O ATOM 1045 CB VAL A 108 7.989 2.398 4.415 1.00 13.48 C ATOM 1046 CG1 VAL A 108 9.212 3.367 4.387 1.00 14.87 C ATOM 1047 CG2 VAL A 108 7.730 1.913 5.827 1.00 15.04 C ATOM 1048 H VAL A 108 5.746 1.066 3.845 1.00 0.00 H ATOM 1049 N GLY A 109 7.158 2.598 1.454 1.00 16.38 N ATOM 1050 CA GLY A 109 7.174 2.917 0.039 1.00 17.74 C ATOM 1051 C GLY A 109 8.483 3.362 -0.590 1.00 17.01 C ATOM 1052 O GLY A 109 8.577 3.474 -1.834 1.00 20.85 O ATOM 1053 H GLY A 109 7.272 1.605 1.740 1.00 0.00 H ATOM 1054 N VAL A 110 9.487 3.647 0.228 1.00 15.25 N ATOM 1055 CA VAL A 110 10.736 4.248 -0.245 1.00 14.23 C ATOM 1056 C VAL A 110 11.832 3.842 0.687 1.00 12.58 C ATOM 1057 O VAL A 110 11.594 3.370 1.815 1.00 13.55 O ATOM 1058 CB VAL A 110 10.680 5.808 -0.237 1.00 16.33 C ATOM 1059 CG1 VAL A 110 9.642 6.368 -1.270 1.00 19.61 C ATOM 1060 CG2 VAL A 110 10.400 6.366 1.195 1.00 17.10 C ATOM 1061 H VAL A 110 9.384 3.436 1.241 1.00 0.00 H ATOM 1062 N LYS A 111 13.067 4.024 0.228 1.00 14.04 N ATOM 1063 CA LYS A 111 14.233 3.995 1.113 1.00 13.16 C ATOM 1064 C LYS A 111 14.305 5.309 1.874 1.00 13.02 C ATOM 1065 O LYS A 111 14.203 6.376 1.267 1.00 15.35 O ATOM 1066 CB LYS A 111 15.508 3.780 0.311 1.00 13.70 C ATOM 1067 CG LYS A 111 15.528 2.493 -0.535 1.00 13.68 C ATOM 1068 CD LYS A 111 15.806 1.299 0.269 1.00 15.90 C ATOM 1069 CE LYS A 111 16.084 0.023 -0.548 1.00 16.16 C ATOM 1070 NZ LYS A 111 14.871 -0.343 -1.308 1.00 16.93 N ATOM 1071 HZ1 LYS A 111 14.088 -0.516 -0.646 1.00 0.00 H ATOM 1072 HZ2 LYS A 111 14.618 0.435 -1.951 1.00 0.00 H ATOM 1073 HZ3 LYS A 111 15.056 -1.204 -1.860 1.00 0.00 H ATOM 1074 H LYS A 111 13.208 4.192 -0.789 1.00 0.00 H ATOM 1075 N ILE A 112 14.503 5.270 3.194 1.00 13.08 N ATOM 1076 CA ILE A 112 14.515 6.492 4.008 1.00 12.82 C ATOM 1077 C ILE A 112 15.928 7.060 4.097 1.00 14.78 C ATOM 1078 O ILE A 112 16.875 6.465 4.621 1.00 14.91 O ATOM 1079 CB ILE A 112 13.964 6.153 5.412 1.00 12.76 C ATOM 1080 CG1 ILE A 112 12.468 5.768 5.325 1.00 13.55 C ATOM 1081 CG2 ILE A 112 14.154 7.346 6.370 1.00 14.59 C ATOM 1082 CD1 ILE A 112 11.900 5.147 6.605 1.00 14.29 C ATOM 1083 H ILE A 112 14.652 4.351 3.657 1.00 0.00 H ATOM 1084 N GLY A 113 16.115 8.283 3.608 1.00 15.76 N ATOM 1085 CA GLY A 113 17.430 8.968 3.707 1.00 17.15 C ATOM 1086 C GLY A 113 18.524 8.481 2.795 1.00 18.55 C ATOM 1087 O GLY A 113 18.253 7.886 1.767 1.00 20.72 O ATOM 1088 H GLY A 113 15.322 8.771 3.145 1.00 0.00 H ATOM 1089 N ASN A 114 19.776 8.807 3.148 1.00 19.23 N ATOM 1090 CA ASN A 114 20.918 8.297 2.393 1.00 19.39 C ATOM 1091 C ASN A 114 21.966 7.777 3.352 1.00 17.26 C ATOM 1092 O ASN A 114 23.075 8.273 3.433 1.00 21.09 O ATOM 1093 CB ASN A 114 21.508 9.380 1.474 1.00 19.50 C ATOM 1094 CG ASN A 114 20.598 9.739 0.354 1.00 19.08 C ATOM 1095 OD1 ASN A 114 20.706 9.191 -0.798 1.00 16.37 O ATOM 1096 ND2 ASN A 114 19.729 10.686 0.616 1.00 18.99 N ATOM 1097 HD22 ASN A 114 19.681 11.099 1.569 1.00 0.00 H ATOM 1098 HD21 ASN A 114 19.088 11.024 -0.130 1.00 0.00 H ATOM 1099 H ASN A 114 19.935 9.428 3.967 1.00 0.00 H ATOM 1100 N PRO A 115 21.623 6.751 4.115 1.00 15.85 N ATOM 1101 CA PRO A 115 22.565 6.222 5.109 1.00 15.26 C ATOM 1102 C PRO A 115 23.870 5.773 4.448 1.00 15.88 C ATOM 1103 O PRO A 115 23.928 5.163 3.341 1.00 18.75 O ATOM 1104 CB PRO A 115 21.823 5.014 5.666 1.00 12.61 C ATOM 1105 CG PRO A 115 20.887 4.617 4.553 1.00 13.83 C ATOM 1106 CD PRO A 115 20.411 5.936 4.005 1.00 15.14 C ATOM 1107 N VAL A 116 24.959 5.956 5.157 1.00 14.24 N ATOM 1108 CA VAL A 116 26.230 5.591 4.572 1.00 14.86 C ATOM 1109 C VAL A 116 26.713 4.278 5.174 1.00 14.01 C ATOM 1110 O VAL A 116 26.547 3.996 6.397 1.00 13.83 O ATOM 1111 CB VAL A 116 27.267 6.741 4.740 1.00 16.68 C ATOM 1112 CG1 VAL A 116 26.714 8.027 4.103 1.00 17.26 C ATOM 1113 CG2 VAL A 116 27.581 6.980 6.180 1.00 17.76 C ATOM 1114 H VAL A 116 24.909 6.354 6.117 1.00 0.00 H ATOM 1115 N PRO A 117 27.241 3.389 4.314 1.00 14.66 N ATOM 1116 CA PRO A 117 27.720 2.093 4.837 1.00 15.17 C ATOM 1117 C PRO A 117 28.719 2.302 5.993 1.00 16.52 C ATOM 1118 O PRO A 117 29.664 3.102 5.889 1.00 18.90 O ATOM 1119 CB PRO A 117 28.401 1.426 3.604 1.00 16.65 C ATOM 1120 CG PRO A 117 27.662 2.011 2.425 1.00 18.32 C ATOM 1121 CD PRO A 117 27.383 3.461 2.844 1.00 17.12 C ATOM 1122 N TYR A 118 28.520 1.586 7.110 1.00 16.34 N ATOM 1123 CA TYR A 118 29.392 1.694 8.251 1.00 18.57 C ATOM 1124 C TYR A 118 30.727 1.119 7.897 1.00 22.37 C ATOM 1125 O TYR A 118 30.781 0.068 7.221 1.00 23.24 O ATOM 1126 CB TYR A 118 28.770 0.932 9.478 1.00 18.74 C ATOM 1127 CG TYR A 118 29.527 1.185 10.778 1.00 20.61 C ATOM 1128 CD1 TYR A 118 29.274 2.342 11.537 1.00 21.42 C ATOM 1129 CD2 TYR A 118 30.477 0.297 11.226 1.00 23.90 C ATOM 1130 CE1 TYR A 118 29.986 2.595 12.691 1.00 22.53 C ATOM 1131 CE2 TYR A 118 31.194 0.546 12.379 1.00 25.43 C ATOM 1132 CZ TYR A 118 30.930 1.676 13.113 1.00 24.69 C ATOM 1133 OH TYR A 118 31.643 1.889 14.288 1.00 28.55 O ATOM 1134 HH TYR A 118 31.346 2.737 14.704 1.00 0.00 H ATOM 1135 H TYR A 118 27.712 0.933 7.153 1.00 0.00 H ATOM 1136 N ASN A 119 31.796 1.766 8.327 1.00 26.21 N ATOM 1137 CA ASN A 119 33.076 1.194 7.981 1.00 33.51 C ATOM 1138 C ASN A 119 33.599 0.629 9.257 1.00 37.36 C ATOM 1139 O ASN A 119 33.987 1.330 10.203 1.00 37.01 O ATOM 1140 CB ASN A 119 33.981 2.167 7.246 1.00 38.62 C ATOM 1141 CG ASN A 119 33.465 2.447 5.837 1.00 43.18 C ATOM 1142 OD1 ASN A 119 33.095 1.512 5.100 1.00 44.75 O ATOM 1143 ND2 ASN A 119 33.393 3.717 5.470 1.00 45.32 N ATOM 1144 HD22 ASN A 119 33.714 4.465 6.118 1.00 0.00 H ATOM 1145 HD21 ASN A 119 33.016 3.967 4.534 1.00 0.00 H ATOM 1146 H ASN A 119 31.720 2.640 8.885 1.00 0.00 H ATOM 1147 N GLU A 120 33.825 -0.657 9.070 1.00 40.68 N ATOM 1148 CA GLU A 120 32.896 -1.732 9.307 1.00 45.09 C ATOM 1149 C GLU A 120 33.283 -2.848 10.278 1.00 46.44 C ATOM 1150 O GLU A 120 34.067 -3.738 9.925 1.00 47.34 O ATOM 1151 CB GLU A 120 32.672 -2.235 7.883 1.00 47.83 C ATOM 1152 CG GLU A 120 31.805 -3.382 7.506 1.00 51.18 C ATOM 1153 CD GLU A 120 31.808 -3.436 5.976 1.00 53.43 C ATOM 1154 OE1 GLU A 120 32.560 -2.613 5.385 1.00 54.05 O ATOM 1155 OE2 GLU A 120 31.119 -4.289 5.369 1.00 54.60 O ATOM 1156 H GLU A 120 34.767 -0.921 8.717 1.00 0.00 H TER 1157 GLU A 120 HETATM 1158 O HOH 1 24.882 4.562 13.314 1.00 13.79 O HETATM 1159 O HOH 2 17.238 -16.656 8.949 1.00 13.78 O HETATM 1160 O HOH 3 18.338 -20.447 1.062 1.00 15.82 O HETATM 1161 O HOH 4 18.840 9.044 -3.138 1.00 18.28 O HETATM 1162 O HOH 5 17.155 3.904 5.381 1.00 13.82 O HETATM 1163 O HOH 6 19.923 -20.204 3.364 1.00 13.61 O HETATM 1164 O HOH 7 15.996 9.849 14.522 1.00 13.65 O HETATM 1165 O HOH 8 15.047 -18.630 16.736 1.00 15.19 O HETATM 1166 O HOH 9 9.627 -11.470 17.557 1.00 17.88 O HETATM 1167 O HOH 10 6.985 -5.558 4.489 1.00 17.52 O HETATM 1168 O HOH 11 21.574 -23.529 7.375 1.00 17.77 O HETATM 1169 O HOH 12 22.815 4.872 0.913 1.00 15.43 O HETATM 1170 O HOH 13 18.525 -7.278 22.999 1.00 19.38 O HETATM 1171 O HOH 14 27.032 -2.898 2.617 1.00 22.48 O HETATM 1172 O HOH 15 13.575 5.146 -2.418 1.00 18.81 O HETATM 1173 O HOH 16 19.789 -18.326 11.415 1.00 18.90 O HETATM 1174 O HOH 17 5.709 -8.061 13.373 1.00 21.48 O HETATM 1175 O HOH 18 26.717 -16.966 1.731 1.00 16.62 O HETATM 1176 O HOH 19 20.813 -20.867 -0.319 1.00 19.01 O HETATM 1177 O HOH 20 25.795 -1.305 0.743 1.00 20.92 O HETATM 1178 O HOH 21 30.948 -11.510 5.076 1.00 26.03 O HETATM 1179 O HOH 22 22.005 -22.842 1.284 1.00 23.55 O HETATM 1180 O HOH 23 15.927 -19.098 0.681 1.00 19.96 O HETATM 1181 O HOH 24 4.484 -6.096 7.044 1.00 21.81 O HETATM 1182 O HOH 25 10.311 -11.086 2.607 1.00 20.89 O HETATM 1183 O HOH 26 28.175 -20.459 3.889 1.00 21.69 O HETATM 1184 O HOH 27 12.180 9.859 4.141 1.00 23.06 O HETATM 1185 O HOH 28 14.243 -16.307 18.130 1.00 18.65 O HETATM 1186 O HOH 29 24.226 0.453 2.093 1.00 17.61 O HETATM 1187 O HOH 30 17.647 -19.512 10.113 1.00 19.53 O HETATM 1188 O HOH 31 28.506 6.656 12.341 1.00 28.15 O HETATM 1189 O HOH 32 12.719 -8.070 0.499 1.00 22.34 O HETATM 1190 O HOH 33 9.691 -4.777 -0.695 1.00 25.67 O HETATM 1191 O HOH 34 20.070 -22.985 3.425 1.00 23.80 O HETATM 1192 O HOH 35 15.794 -17.151 -1.306 1.00 26.71 O HETATM 1193 O HOH 36 16.593 7.565 0.100 1.00 26.49 O HETATM 1194 O HOH 37 20.664 -25.662 1.039 1.00 28.18 O HETATM 1195 O HOH 38 7.695 5.707 7.072 1.00 21.11 O HETATM 1196 O HOH 39 27.375 0.199 -1.003 1.00 20.90 O HETATM 1197 O HOH 40 8.147 -0.253 -0.825 1.00 26.67 O HETATM 1198 O HOH 41 23.811 -7.729 4.240 1.00 21.95 O HETATM 1199 O HOH 42 25.494 -0.850 21.928 1.00 29.18 O HETATM 1200 O HOH 43 12.804 8.552 0.085 1.00 23.34 O HETATM 1201 O HOH 44 28.595 -4.023 7.045 1.00 24.23 O HETATM 1202 O HOH 45 12.414 0.857 -3.073 1.00 29.11 O HETATM 1203 O HOH 46 18.621 11.601 16.014 1.00 27.61 O HETATM 1204 O HOH 47 33.995 -2.192 15.936 1.00 27.03 O HETATM 1205 O HOH 48 6.839 -10.016 14.889 1.00 28.66 O HETATM 1206 O HOH 49 30.423 -6.254 11.478 1.00 28.41 O HETATM 1207 O HOH 50 4.620 -8.938 11.076 1.00 26.67 O HETATM 1208 O HOH 51 33.429 4.739 27.075 1.00 30.15 O HETATM 1209 O HOH 52 24.180 1.335 23.127 1.00 28.91 O HETATM 1210 O HOH 53 9.527 -20.121 7.327 1.00 37.23 O HETATM 1211 O HOH 54 21.908 12.178 11.171 1.00 28.33 O HETATM 1212 O HOH 55 31.691 4.224 9.588 1.00 31.84 O HETATM 1213 O HOH 56 18.090 -24.427 3.123 1.00 36.84 O HETATM 1214 O HOH 57 39.009 -12.983 8.889 1.00 29.12 O HETATM 1215 O HOH 58 20.085 9.624 5.809 1.00 27.61 O HETATM 1216 O HOH 59 20.625 -10.219 24.135 1.00 37.50 O HETATM 1217 O HOH 60 19.709 12.525 2.566 1.00 27.59 O HETATM 1218 O HOH 61 6.334 7.255 1.373 1.00 29.36 O HETATM 1219 O HOH 62 22.906 -25.272 9.719 1.00 37.72 O HETATM 1220 O HOH 63 9.321 -9.465 21.643 1.00 30.25 O HETATM 1221 O HOH 64 28.851 7.600 9.138 1.00 39.99 O HETATM 1222 O HOH 65 16.662 -5.385 23.783 1.00 31.91 O HETATM 1223 O HOH 66 35.735 -1.354 11.824 1.00 46.65 O HETATM 1224 O HOH 67 7.277 -6.290 0.071 1.00 37.21 O HETATM 1225 O HOH 68 19.047 -12.626 24.563 1.00 34.14 O HETATM 1226 O HOH 69 30.992 5.770 12.141 1.00 31.65 O HETATM 1227 O HOH 70 11.262 -7.002 -1.745 1.00 38.11 O HETATM 1228 O HOH 71 24.025 -24.697 12.006 1.00 36.87 O HETATM 1229 O HOH 72 22.689 11.165 13.253 1.00 35.30 O HETATM 1230 O HOH 73 10.787 9.961 1.593 1.00 30.16 O HETATM 1231 O HOH 74 31.000 2.748 0.826 1.00 35.79 O HETATM 1232 O HOH 75 4.419 -14.581 9.135 1.00 34.01 O HETATM 1233 O HOH 76 26.809 -7.485 24.436 1.00 29.86 O HETATM 1234 O HOH 77 2.929 -4.497 10.956 1.00 37.09 O HETATM 1235 O HOH 78 20.684 -7.234 26.545 1.00 42.20 O HETATM 1236 O HOH 79 26.584 11.628 3.485 1.00 35.74 O HETATM 1237 O HOH 80 41.774 -15.299 13.217 1.00 33.73 O HETATM 1238 O HOH 81 3.913 1.635 -1.677 1.00 32.24 O HETATM 1239 O HOH 82 15.194 -6.123 -2.215 1.00 34.86 O HETATM 1240 O HOH 83 2.860 -7.134 4.929 1.00 32.63 O HETATM 1241 O HOH 84 33.372 -2.821 22.347 1.00 33.20 O HETATM 1242 O HOH 85 11.379 -15.108 18.672 1.00 34.14 O HETATM 1243 O HOH 86 5.116 -6.714 2.443 1.00 41.63 O HETATM 1244 O HOH 87 30.032 -0.016 0.072 1.00 38.75 O HETATM 1245 O HOH 88 10.316 2.483 -3.790 1.00 34.92 O HETATM 1246 O HOH 89 23.453 1.035 25.548 1.00 32.48 O HETATM 1247 O HOH 90 9.489 -14.621 0.438 1.00 39.70 O HETATM 1248 O HOH 91 25.238 12.058 13.440 1.00 41.38 O HETATM 1249 O HOH 92 16.668 -5.231 21.552 1.00 30.65 O HETATM 1250 O HOH 93 4.653 8.184 3.382 1.00 39.26 O HETATM 1251 O HOH 94 3.259 -6.929 9.495 1.00 30.72 O HETATM 1252 O HOH 95 3.010 -11.188 11.872 1.00 37.70 O HETATM 1253 O HOH 96 10.409 -5.556 24.038 1.00 45.62 O HETATM 1254 O HOH 97 27.792 10.995 2.050 1.00 31.23 O HETATM 1255 O HOH 98 9.164 -13.737 18.600 1.00 29.16 O HETATM 1256 O HOH 99 8.888 -9.041 18.911 1.00 31.22 O HETATM 1257 O HOH 100 26.819 14.031 2.316 1.00 37.91 O HETATM 1258 O HOH 101 24.761 10.674 2.759 1.00 31.89 O HETATM 1259 O HOH 102 21.136 12.347 15.015 1.00 36.46 O HETATM 1260 O HOH 103 27.291 -9.997 23.434 1.00 37.04 O HETATM 1261 O HOH 104 7.716 -15.350 12.723 1.00 35.81 O HETATM 1262 O HOH 105 39.001 -9.017 8.765 1.00 36.04 O HETATM 1263 O HOH 106 27.091 -5.166 1.943 1.00 34.53 O HETATM 1264 O HOH 107 12.614 -11.868 25.613 1.00 36.75 O HETATM 1265 O HOH 108 23.947 10.652 4.575 1.00 33.40 O HETATM 1266 O HOH 109 21.098 -16.634 23.958 1.00 49.19 O HETATM 1267 O HOH 110 2.300 -1.349 13.662 1.00 40.19 O HETATM 1268 O HOH 111 24.928 -5.440 26.650 1.00 36.34 O HETATM 1269 O HOH 112 3.441 -3.535 14.973 1.00 39.50 O HETATM 1270 O HOH 113 16.452 9.679 -1.465 1.00 46.46 O HETATM 1271 O HOH 114 20.213 -28.082 1.215 1.00 37.82 O HETATM 1272 O HOH 115 28.447 9.295 11.370 1.00 40.81 O HETATM 1273 O HOH 116 5.048 -15.356 11.579 1.00 39.58 O HETATM 1274 O HOH 117 15.619 -14.610 -1.618 1.00 39.49 O HETATM 1275 O HOH 118 21.766 14.747 14.228 1.00 45.56 O HETATM 1276 O HOH 119 41.599 -18.013 12.891 1.00 35.33 O HETATM 1277 O HOH 120 21.692 -8.927 2.959 1.00 17.76 O HETATM 1278 O HOH 121 18.900 -16.649 22.659 1.00 39.07 O HETATM 1279 O HOH 122 23.980 -10.695 1.997 1.00 34.41 O HETATM 1280 O HOH 123 23.165 3.588 22.281 1.00 41.04 O HETATM 1281 O HOH 124 41.753 -19.809 14.179 1.00 47.83 O HETATM 1282 O HOH 125 2.683 -10.178 4.090 1.00 38.52 O HETATM 1283 O HOH 126 8.976 -2.711 -2.203 1.00 42.98 O HETATM 1284 O HOH 127 12.137 -14.288 0.104 1.00 49.82 O HETATM 1285 O HOH 128 7.258 15.362 6.551 1.00 58.43 O HETATM 1286 O HOH 129 12.902 -11.631 0.921 1.00 43.13 O HETATM 1287 O HOH 130 1.347 -4.730 1.820 1.00 49.97 O HETATM 1288 O HOH 131 12.706 -6.040 -3.392 1.00 48.76 O HETATM 1289 O HOH 132 7.680 -8.890 -0.823 1.00 40.91 O HETATM 1290 O HOH 133 21.373 2.942 26.632 1.00 42.35 O HETATM 1291 O HOH 134 10.040 -10.007 0.041 1.00 48.88 O HETATM 1292 O HOH 135 5.419 6.901 -1.179 1.00 36.16 O HETATM 1293 O HOH 136 5.200 -1.383 19.382 1.00 42.46 O HETATM 1294 O HOH 137 14.650 14.994 1.573 1.00 42.57 O HETATM 1295 O HOH 138 7.124 -3.481 -1.722 1.00 50.11 O HETATM 1296 O HOH 139 35.950 -1.362 9.477 1.00 44.10 O HETATM 1297 O HOH 140 7.726 -7.314 22.774 1.00 45.11 O HETATM 1298 O HOH 141 31.111 5.062 7.644 1.00 38.80 O HETATM 1299 O HOH 142 0.568 -6.074 4.598 1.00 47.61 O HETATM 1300 O HOH 143 7.131 -20.302 6.735 1.00 41.84 O HETATM 1301 O HOH 144 37.968 -6.296 11.306 1.00 37.16 O HETATM 1302 O HOH 145 20.032 -30.047 5.052 1.00 30.42 O HETATM 1303 O HOH 146 17.010 15.192 0.618 1.00 56.09 O HETATM 1304 O HOH 147 24.870 -8.238 26.121 1.00 50.21 O HETATM 1305 O HOH 148 10.155 -21.680 9.486 1.00 33.13 O HETATM 1306 O HOH 149 4.313 -13.501 14.047 1.00 48.99 O HETATM 1307 O HOH 150 6.723 4.114 -3.914 1.00 50.71 O HETATM 1308 O HOH 151 1.351 -14.631 6.512 1.00 54.53 O HETATM 1309 O HOH 152 7.202 -13.214 14.710 1.00 35.80 O HETATM 1310 O HOH 153 13.546 -8.761 24.314 1.00 60.83 O HETATM 1311 O HOH 154 18.828 -30.086 3.214 1.00 49.33 O HETATM 1312 O HOH 155 26.542 -1.601 5.029 1.00 16.53 O HETATM 1313 O HOH 156 29.060 -1.491 5.823 1.00 21.38 O HETATM 1314 O HOH 157 26.177 6.265 18.092 1.00 22.91 O HETATM 1315 O HOH 158 15.553 -7.952 -0.429 1.00 23.13 O HETATM 1316 O HOH 159 24.775 -10.563 22.948 1.00 32.22 O HETATM 1317 O HOH 160 16.654 -4.553 -1.686 1.00 36.15 O HETATM 1318 O HOH 161 13.985 -14.249 -3.888 1.00 39.75 O HETATM 1319 O HOH 162 18.031 9.154 -5.512 1.00 24.50 O HETATM 1320 O HOH 163 15.838 -13.395 0.568 1.00 38.04 O HETATM 1321 O HOH 164 30.255 -1.740 2.959 1.00 42.11 O HETATM 1322 O HOH 165 3.486 -8.539 0.763 1.00 46.22 O HETATM 1323 O HOH 166 6.370 13.678 1.860 1.00 61.73 O HETATM 1324 O HOH 167 1.155 -8.249 8.934 1.00 44.92 O HETATM 1325 O HOH 168 24.726 13.732 15.362 1.00 54.16 O HETATM 1326 O HOH 169 1.623 4.761 3.958 1.00 46.23 O HETATM 1327 O HOH 170 25.895 -25.433 8.674 1.00 41.18 O HETATM 1328 O HOH 171 4.421 4.323 -2.397 1.00 43.78 O HETATM 1329 O HOH 172 25.084 -5.805 1.584 1.00 51.46 O HETATM 1330 O HOH 173 32.732 4.920 24.330 1.00 56.15 O HETATM 1331 O HOH 174 24.212 9.598 6.911 1.00 23.95 O HETATM 1332 O HOH 175 26.651 10.599 7.386 1.00 35.46 O HETATM 1333 O HOH 176 4.458 -18.283 -1.469 1.00 57.77 O HETATM 1334 O HOH 177 30.762 -7.750 10.046 1.00 31.87 O HETATM 1335 O HOH 178 23.258 -7.031 0.314 1.00 49.18 O HETATM 1336 O HOH 179 28.469 11.440 5.683 1.00 40.76 O HETATM 1337 O HOH 180 16.744 -25.881 3.608 1.00 48.86 O HETATM 1338 O HOH 181 17.713 13.681 -2.269 1.00 45.02 O HETATM 1339 O HOH 182 0.223 -1.645 6.274 1.00 50.39 O HETATM 1340 O HOH 183 14.820 -13.185 -5.677 1.00 44.41 O HETATM 1341 O HOH 184 18.191 -3.780 -2.901 1.00 45.83 O HETATM 1342 O HOH 185 3.631 -16.849 1.582 1.00 53.55 O HETATM 1343 O HOH 186 11.985 -21.340 2.059 1.00 44.30 O HETATM 1344 O HOH 187 38.157 -19.842 12.481 1.00 46.90 O HETATM 1345 O HOH 188 10.110 -12.647 -1.035 1.00 54.18 O HETATM 1346 O HOH 189 27.576 11.250 12.406 1.00 46.28 O HETATM 1347 O HOH 190 5.353 -9.531 17.072 1.00 53.21 O HETATM 1348 O HOH 191 3.407 -6.280 -1.518 1.00 48.57 O HETATM 1349 O HOH 192 13.921 -6.694 26.944 1.00 50.91 O HETATM 1350 O HOH 193 15.723 -3.001 -2.185 1.00 33.06 O HETATM 1351 O HOH 194 14.133 -26.226 7.442 1.00 33.98 O HETATM 1352 O HOH 195 10.181 1.414 22.336 1.00 22.98 O HETATM 1353 O HOH 196 0.000 -2.795 0.000 1.00 42.45 O HETATM 1354 O HOH 197 0.724 -2.475 4.383 1.00 43.16 O HETATM 1355 O HOH 198 12.349 -16.421 1.080 1.00 43.83 O HETATM 1356 O HOH 199 41.451 -19.403 16.241 1.00 45.42 O HETATM 1357 O HOH 200 27.341 -24.179 6.326 1.00 22.56 O HETATM 1358 O HOH 201 19.067 -18.868 14.022 1.00 15.49 O HETATM 1359 O HOH 202 37.241 -13.815 12.048 1.00 18.09 O HETATM 1360 O HOH 203 35.140 -15.454 9.368 1.00 20.59 O HETATM 1361 O HOH 204 28.832 -17.840 3.332 1.00 19.86 O HETATM 1362 O HOH 205 17.728 -25.612 13.152 1.00 21.11 O HETATM 1363 O HOH 206 32.063 -15.637 2.577 1.00 21.44 O HETATM 1364 O HOH 207 34.314 -16.903 16.420 1.00 22.95 O HETATM 1365 O HOH 208 39.701 -14.890 11.307 1.00 26.51 O HETATM 1366 O HOH 209 30.223 -22.276 3.732 1.00 22.06 O HETATM 1367 O HOH 210 32.523 -20.082 3.960 1.00 25.47 O HETATM 1368 O HOH 211 31.960 -22.976 17.720 1.00 29.48 O HETATM 1369 O HOH 212 26.211 -20.379 19.133 1.00 27.65 O HETATM 1370 O HOH 213 23.817 -15.907 23.669 1.00 28.19 O HETATM 1371 O HOH 214 34.492 -22.057 10.953 1.00 26.75 O HETATM 1372 O HOH 215 15.357 -25.513 11.677 1.00 24.57 O HETATM 1373 O HOH 216 31.750 -16.489 15.777 1.00 29.75 O HETATM 1374 O HOH 217 29.651 -21.833 19.734 1.00 31.85 O HETATM 1375 O HOH 218 34.984 -19.502 16.832 1.00 29.90 O HETATM 1376 O HOH 219 25.079 -23.728 19.755 1.00 38.62 O HETATM 1377 O HOH 220 38.347 -16.562 5.784 1.00 36.79 O HETATM 1378 O HOH 221 30.055 -14.158 3.563 1.00 28.54 O HETATM 1379 O HOH 222 32.566 -12.342 2.701 1.00 46.98 O HETATM 1380 O HOH 223 37.572 -22.029 16.821 1.00 47.14 O HETATM 1381 O HOH 224 29.890 -26.091 5.259 1.00 42.46 O HETATM 1382 O HOH 225 37.927 -19.255 6.256 1.00 39.63 O HETATM 1383 O HOH 226 12.805 -24.528 11.530 1.00 46.52 O HETATM 1384 O HOH 227 23.377 -21.669 22.651 1.00 43.32 O HETATM 1385 O HOH 228 29.410 -27.995 9.822 1.00 50.97 O HETATM 1386 O HOH 229 26.551 -26.467 13.646 1.00 41.60 O HETATM 1387 O HOH 230 25.929 -20.788 21.864 1.00 45.46 O HETATM 1388 O HOH 231 31.652 -27.338 8.704 1.00 53.92 O HETATM 1389 O HOH 232 31.369 -20.647 21.276 1.00 49.28 O HETATM 1390 O HOH 233 28.531 -28.373 6.135 1.00 45.39 O HETATM 1391 O HOH 234 34.214 -21.856 19.164 1.00 60.04 O HETATM 1392 O HOH 235 30.693 -24.448 10.448 1.00 35.07 O HETATM 1393 O HOH 236 22.583 -23.497 21.155 1.00 30.54 O HETATM 1394 O HOH 237 37.271 -14.842 7.759 1.00 24.17 O HETATM 1395 O HOH 238 37.026 -10.674 1.010 1.00 41.46 O HETATM 1396 O HOH 239 23.932 -17.992 25.345 1.00 41.72 O HETATM 1397 O HOH 240 29.206 -24.832 3.617 1.00 59.03 O HETATM 1398 O HOH 241 22.357 -12.387 29.254 1.00 58.46 O HETATM 1399 O HOH 242 31.469 -25.923 17.505 1.00 48.41 O HETATM 1400 O HOH 243 30.559 -27.841 15.777 1.00 50.40 O HETATM 1401 O HOH 244 33.146 -19.370 31.677 1.00 44.88 O HETATM 1402 O HOH 245 32.170 -26.794 13.355 1.00 52.85 O HETATM 1403 O HOH 246 31.477 -29.914 14.702 1.00 52.90 O HETATM 1404 O HOH 247 37.488 -17.986 10.568 1.00 39.89 O HETATM 1405 O HOH 248 35.491 -20.946 8.789 1.00 39.81 O HETATM 1406 O HOH 249 28.751 -29.441 11.466 1.00 51.10 O HETATM 1407 O HOH 250 27.948 -18.060 18.818 1.00 42.73 O HETATM 1408 O HOH 251 30.418 -25.801 14.617 1.00 32.59 O HETATM 1409 O HOH 252 36.186 -18.942 8.353 1.00 41.82 O HETATM 1410 C11 UNN A 253 29.626 -17.881 26.383 1.00 -0.06 C HETATM 1411 C12 UNN A 253 30.710 -18.601 26.874 1.00 -0.04 C HETATM 1412 C13 UNN A 253 30.856 -18.799 28.242 1.00 0.06 C HETATM 1413 C14 UNN A 253 29.913 -18.281 29.131 1.00 -0.02 C HETATM 1414 C09 UNN A 253 28.818 -17.549 28.623 1.00 0.12 C HETATM 1415 C08 UNN A 253 28.664 -17.345 27.262 1.00 0.03 C HETATM 1416 C07 UNN A 253 27.500 -16.580 26.768 1.00 0.02 C HETATM 1417 C15 UNN A 253 27.346 -16.351 25.236 1.00 0.01 C HETATM 1418 C16 UNN A 253 27.483 -15.041 24.768 1.00 -0.05 C HETATM 1419 C17 UNN A 253 27.361 -14.723 23.394 1.00 -0.02 C HETATM 1420 C18 UNN A 253 27.085 -15.779 22.525 1.00 0.09 C HETATM 1421 C19 UNN A 253 26.977 -17.094 22.981 1.00 -0.01 C HETATM 1422 C20 UNN A 253 27.076 -17.401 24.331 1.00 0.02 C HETATM 1423 C21 UNN A 253 26.928 -18.856 24.699 1.00 0.07 C HETATM 1424 O22 UNN A 253 26.309 -19.198 25.736 1.00 -0.56 O HETATM 1425 O23 UNN A 253 27.416 -19.727 23.917 1.00 -0.56 O HETATM 1426 H UNN A 253 26.812 -17.892 22.266 1.00 0.06 H HETATM 1427 N24 UNN A 253 27.008 -15.628 21.116 1.00 -0.22 N HETATM 1428 C25 UNN A 253 25.878 -16.025 20.330 1.00 0.17 C HETATM 1429 N26 UNN A 253 24.770 -16.469 21.096 1.00 -0.28 N HETATM 1430 C27 UNN A 253 23.562 -16.858 20.375 1.00 0.04 C HETATM 1431 C28 UNN A 253 23.150 -18.275 20.741 1.00 -0.03 C HETATM 1432 C29 UNN A 253 21.901 -18.661 19.967 1.00 -0.05 C HETATM 1433 C30 UNN A 253 22.032 -20.023 19.339 1.00 -0.04 C HETATM 1434 C33 UNN A 253 20.674 -20.611 18.918 1.00 0.04 C HETATM 1435 C35 UNN A 253 20.889 -21.949 18.332 1.00 0.18 C HETATM 1436 O36 UNN A 253 21.260 -22.947 18.913 1.00 -0.40 O HETATM 1437 N UNN A 253 20.381 -22.077 17.022 1.00 -0.26 N HETATM 1438 CA UNN A 253 20.599 -23.337 16.300 1.00 0.14 C HETATM 1439 C UNN A 253 21.865 -23.332 15.441 1.00 0.21 C HETATM 1440 O UNN A 253 21.864 -23.827 14.299 1.00 -0.39 O HETATM 1441 N UNN A 253 22.939 -22.717 15.952 1.00 -0.26 N HETATM 1442 CA UNN A 253 24.175 -22.538 15.210 1.00 0.14 C HETATM 1443 C UNN A 253 25.266 -22.354 16.250 1.00 0.21 C HETATM 1444 O UNN A 253 24.974 -22.085 17.435 1.00 -0.39 O HETATM 1445 N UNN A 253 26.523 -22.494 15.810 1.00 -0.26 N HETATM 1446 CA UNN A 253 27.706 -22.270 16.665 1.00 0.16 C HETATM 1447 C UNN A 253 28.504 -21.039 16.266 1.00 0.21 C HETATM 1448 O UNN A 253 28.293 -20.488 15.184 1.00 -0.39 O HETATM 1449 N UNN A 253 29.459 -20.641 17.094 1.00 -0.26 N HETATM 1450 CA UNN A 253 30.337 -19.531 16.742 1.00 0.13 C HETATM 1451 C UNN A 253 31.150 -19.872 15.498 1.00 0.20 C HETATM 1452 O UNN A 253 31.367 -19.019 14.652 1.00 -0.39 O HETATM 1453 N UNN A 253 31.562 -21.129 15.365 1.00 -0.26 N HETATM 1454 CA UNN A 253 32.338 -21.533 14.192 1.00 0.14 C HETATM 1455 C UNN A 253 31.468 -21.498 12.925 1.00 0.21 C HETATM 1456 O UNN A 253 31.974 -21.181 11.841 1.00 -0.39 O HETATM 1457 N UNN A 253 30.143 -21.756 13.045 1.00 -0.26 N HETATM 1458 CA UNN A 253 29.224 -21.576 11.924 1.00 0.14 C HETATM 1459 C UNN A 253 29.291 -20.096 11.462 1.00 0.21 C HETATM 1460 O UNN A 253 29.329 -19.824 10.255 1.00 -0.39 O HETATM 1461 N UNN A 253 29.199 -19.157 12.403 1.00 -0.26 N HETATM 1462 CA UNN A 253 29.237 -17.731 12.044 1.00 0.13 C HETATM 1463 C UNN A 253 30.533 -17.408 11.331 1.00 0.20 C HETATM 1464 O UNN A 253 30.524 -16.655 10.346 1.00 -0.39 O HETATM 1465 N UNN A 253 31.638 -17.922 11.833 1.00 -0.26 N HETATM 1466 CA UNN A 253 32.918 -17.687 11.141 1.00 0.13 C HETATM 1467 C UNN A 253 32.884 -18.218 9.703 1.00 0.20 C HETATM 1468 O UNN A 253 33.414 -17.546 8.770 1.00 -0.39 O HETATM 1469 N UNN A 253 32.303 -19.406 9.492 1.00 -0.26 N HETATM 1470 CA UNN A 253 32.195 -19.959 8.149 1.00 0.13 C HETATM 1471 C UNN A 253 31.309 -19.099 7.229 1.00 0.20 C HETATM 1472 O UNN A 253 31.677 -18.733 6.106 1.00 -0.39 O HETATM 1473 N UNN A 253 30.130 -18.714 7.746 1.00 -0.26 N HETATM 1474 CA UNN A 253 29.186 -17.984 6.924 1.00 0.14 C HETATM 1475 C UNN A 253 29.690 -16.576 6.590 1.00 0.21 C HETATM 1476 O UNN A 253 29.271 -16.059 5.550 1.00 -0.39 O HETATM 1477 N UNN A 253 30.529 -15.983 7.460 1.00 -0.26 N HETATM 1478 CA UNN A 253 31.097 -14.752 7.294 1.00 0.14 C HETATM 1479 CB UNN A 253 30.909 -13.888 8.550 1.00 0.02 C HETATM 1480 CG UNN A 253 29.510 -13.407 8.713 1.00 -0.04 C HETATM 1481 CD2 UNN A 253 29.190 -12.060 8.276 1.00 -0.06 C HETATM 1482 CE2 UNN A 253 27.919 -11.625 8.348 1.00 -0.05 C HETATM 1483 CZ UNN A 253 26.857 -12.498 8.865 1.00 0.05 C HETATM 1484 CLZ UNN A 253 25.222 -11.956 8.935 1.00 -0.08 CL HETATM 1485 CE1 UNN A 253 27.167 -13.783 9.272 1.00 0.05 C HETATM 1486 CLE1 UNN A 253 25.978 -14.861 9.872 1.00 -0.07 CL HETATM 1487 CD1 UNN A 253 28.541 -14.239 9.194 1.00 -0.05 C HETATM 1488 H UNN A 253 28.799 -15.241 9.518 1.00 0.06 H HETATM 1489 H UNN A 253 27.676 -10.620 8.021 1.00 0.06 H HETATM 1490 H UNN A 253 29.969 -11.410 7.895 1.00 0.06 H HETATM 1491 H UNN A 253 31.180 -14.486 9.432 1.00 0.05 H HETATM 1492 H UNN A 253 31.575 -13.015 8.480 1.00 0.05 H HETATM 1493 C UNN A 253 32.465 -14.750 6.796 1.00 0.21 C HETATM 1494 O UNN A 253 33.192 -13.747 6.834 1.00 -0.39 O HETATM 1495 N UNN A 253 32.987 -15.882 6.322 1.00 -0.26 N HETATM 1496 CA UNN A 253 34.420 -15.966 5.905 1.00 0.13 C HETATM 1497 C UNN A 253 34.826 -14.950 4.849 1.00 0.20 C HETATM 1498 O UNN A 253 34.109 -14.743 3.862 1.00 -0.39 O HETATM 1499 N UNN A 253 35.988 -14.341 5.038 1.00 -0.26 N HETATM 1500 CA UNN A 253 36.549 -13.394 4.047 1.00 0.13 C HETATM 1501 C UNN A 253 37.249 -14.109 2.917 1.00 0.20 C HETATM 1502 O UNN A 253 37.772 -15.202 3.108 1.00 -0.39 O HETATM 1503 N UNN A 253 37.316 -13.456 1.769 1.00 -0.30 N HETATM 1504 H UNN A 253 37.767 -13.875 0.981 1.00 0.18 H HETATM 1505 H UNN A 253 36.916 -12.543 1.689 1.00 0.18 H HETATM 1506 CB UNN A 253 37.541 -12.420 4.693 1.00 -0.01 C HETATM 1507 CG UNN A 253 36.984 -11.445 5.715 1.00 -0.04 C HETATM 1508 CD1 UNN A 253 38.101 -10.472 6.019 1.00 -0.06 C HETATM 1509 H UNN A 253 37.755 -9.736 6.759 1.00 0.02 H HETATM 1510 H UNN A 253 38.396 -9.953 5.096 1.00 0.02 H HETATM 1511 H UNN A 253 38.965 -11.020 6.424 1.00 0.02 H HETATM 1512 CD2 UNN A 253 35.766 -10.715 5.192 1.00 -0.06 C HETATM 1513 H UNN A 253 34.968 -11.441 4.978 1.00 0.02 H HETATM 1514 H UNN A 253 36.029 -10.177 4.270 1.00 0.02 H HETATM 1515 H UNN A 253 35.416 -9.997 5.948 1.00 0.02 H HETATM 1516 H UNN A 253 36.704 -11.989 6.629 1.00 0.03 H HETATM 1517 H UNN A 253 37.999 -11.829 3.886 1.00 0.03 H HETATM 1518 H UNN A 253 38.316 -13.019 5.194 1.00 0.03 H HETATM 1519 H UNN A 253 35.714 -12.814 3.627 1.00 0.08 H HETATM 1520 H UNN A 253 36.502 -14.527 5.876 1.00 0.19 H HETATM 1521 CB UNN A 253 34.689 -17.317 5.383 1.00 -0.02 C HETATM 1522 H UNN A 253 35.742 -17.387 5.074 1.00 0.03 H HETATM 1523 H UNN A 253 34.039 -17.512 4.517 1.00 0.03 H HETATM 1524 H UNN A 253 34.487 -18.060 6.168 1.00 0.03 H HETATM 1525 H UNN A 253 35.041 -15.796 6.796 1.00 0.08 H HETATM 1526 H UNN A 253 32.407 -16.693 6.244 1.00 0.19 H HETATM 1527 H UNN A 253 30.508 -14.264 6.503 1.00 0.08 H HETATM 1528 H UNN A 253 30.755 -16.484 8.295 1.00 0.19 H HETATM 1529 CB UNN A 253 27.788 -17.941 7.622 1.00 0.00 C HETATM 1530 CG UNN A 253 27.220 -19.334 7.833 1.00 -0.04 C HETATM 1531 CD1 UNN A 253 27.512 -20.447 7.080 1.00 0.02 C HETATM 1532 NE1 UNN A 253 26.854 -21.538 7.589 1.00 -0.29 N HETATM 1533 CE2 UNN A 253 26.118 -21.142 8.673 1.00 0.06 C HETATM 1534 CD2 UNN A 253 26.362 -19.757 8.875 1.00 -0.02 C HETATM 1535 CE3 UNN A 253 25.723 -19.101 9.942 1.00 -0.07 C HETATM 1536 CZ3 UNN A 253 24.903 -19.811 10.759 1.00 -0.08 C HETATM 1537 CH2 UNN A 253 24.682 -21.204 10.566 1.00 -0.08 C HETATM 1538 CZ2 UNN A 253 25.291 -21.905 9.546 1.00 -0.04 C HETATM 1539 H UNN A 253 25.149 -22.972 9.417 1.00 0.05 H HETATM 1540 H UNN A 253 24.015 -21.729 11.241 1.00 0.05 H HETATM 1541 H UNN A 253 24.405 -19.305 11.578 1.00 0.05 H HETATM 1542 H UNN A 253 25.883 -18.042 10.110 1.00 0.05 H HETATM 1543 H UNN A 253 26.905 -22.497 7.217 1.00 0.22 H HETATM 1544 H UNN A 253 28.167 -20.460 6.210 1.00 0.08 H HETATM 1545 H UNN A 253 27.093 -17.365 6.993 1.00 0.04 H HETATM 1546 H UNN A 253 27.893 -17.448 8.599 1.00 0.04 H HETATM 1547 H UNN A 253 29.073 -18.529 5.976 1.00 0.08 H HETATM 1548 H UNN A 253 29.905 -18.931 8.696 1.00 0.19 H HETATM 1549 CB UNN A 253 31.632 -21.376 8.245 1.00 -0.00 C HETATM 1550 CG UNN A 253 31.505 -22.033 6.885 1.00 0.00 C HETATM 1551 CD UNN A 253 30.811 -23.387 6.933 1.00 0.04 C HETATM 1552 OE1 UNN A 253 30.959 -24.110 7.935 1.00 -0.57 O HETATM 1553 OE2 UNN A 253 30.106 -23.722 5.943 1.00 -0.57 O HETATM 1554 H UNN A 253 32.514 -22.172 6.469 1.00 0.04 H HETATM 1555 H UNN A 253 30.926 -21.367 6.228 1.00 0.04 H HETATM 1556 H UNN A 253 30.637 -21.331 8.711 1.00 0.03 H HETATM 1557 H UNN A 253 32.303 -21.983 8.870 1.00 0.03 H HETATM 1558 H UNN A 253 33.203 -20.005 7.710 1.00 0.08 H HETATM 1559 H UNN A 253 31.938 -19.921 10.268 1.00 0.19 H HETATM 1560 CB UNN A 253 34.077 -18.345 11.902 1.00 -0.00 C HETATM 1561 CG UNN A 253 34.382 -17.703 13.259 1.00 0.00 C HETATM 1562 CD UNN A 253 35.160 -16.384 13.212 1.00 0.04 C HETATM 1563 OE1 UNN A 253 35.551 -15.891 12.100 1.00 -0.57 O HETATM 1564 OE2 UNN A 253 35.412 -15.872 14.320 1.00 -0.57 O HETATM 1565 H UNN A 253 34.971 -18.422 13.848 1.00 0.04 H HETATM 1566 H UNN A 253 33.424 -17.512 13.765 1.00 0.04 H HETATM 1567 H UNN A 253 34.981 -18.279 11.278 1.00 0.03 H HETATM 1568 H UNN A 253 33.824 -19.402 12.070 1.00 0.03 H HETATM 1569 H UNN A 253 33.094 -16.602 11.106 1.00 0.08 H HETATM 1570 H UNN A 253 31.608 -18.464 12.673 1.00 0.19 H HETATM 1571 CB UNN A 253 29.088 -16.844 13.304 1.00 -0.01 C HETATM 1572 CG UNN A 253 27.741 -16.997 14.039 1.00 -0.04 C HETATM 1573 CD1 UNN A 253 27.743 -15.955 15.183 1.00 -0.06 C HETATM 1574 H UNN A 253 26.798 -16.023 15.742 1.00 0.02 H HETATM 1575 H UNN A 253 27.847 -14.945 14.759 1.00 0.02 H HETATM 1576 H UNN A 253 28.585 -16.156 15.861 1.00 0.02 H HETATM 1577 CD2 UNN A 253 26.537 -16.778 13.128 1.00 -0.06 C HETATM 1578 H UNN A 253 26.548 -17.524 12.320 1.00 0.02 H HETATM 1579 H UNN A 253 26.584 -15.768 12.695 1.00 0.02 H HETATM 1580 H UNN A 253 25.611 -16.884 13.712 1.00 0.02 H HETATM 1581 H UNN A 253 27.675 -18.010 14.462 1.00 0.03 H HETATM 1582 H UNN A 253 29.195 -15.793 12.999 1.00 0.03 H HETATM 1583 H UNN A 253 29.894 -17.106 14.006 1.00 0.03 H HETATM 1584 H UNN A 253 28.398 -17.518 11.365 1.00 0.08 H HETATM 1585 H UNN A 253 29.103 -19.424 13.362 1.00 0.19 H HETATM 1586 CB UNN A 253 27.777 -21.925 12.311 1.00 0.04 C HETATM 1587 CG UNN A 253 27.550 -23.406 12.496 1.00 0.04 C HETATM 1588 OD1 UNN A 253 28.216 -24.226 11.817 1.00 -0.57 O HETATM 1589 OD2 UNN A 253 26.616 -23.746 13.270 1.00 -0.57 O HETATM 1590 H UNN A 253 27.107 -21.565 11.517 1.00 0.05 H HETATM 1591 H UNN A 253 27.535 -21.414 13.255 1.00 0.05 H HETATM 1592 H UNN A 253 29.537 -22.231 11.098 1.00 0.08 H HETATM 1593 H UNN A 253 29.786 -22.077 13.922 1.00 0.19 H HETATM 1594 CB UNN A 253 32.959 -22.899 14.393 1.00 0.04 C HETATM 1595 CG UNN A 253 34.148 -22.871 15.338 1.00 0.04 C HETATM 1596 OD1 UNN A 253 34.734 -21.780 15.579 1.00 -0.57 O HETATM 1597 OD2 UNN A 253 34.584 -23.962 15.739 1.00 -0.57 O HETATM 1598 H UNN A 253 33.294 -23.280 13.417 1.00 0.05 H HETATM 1599 H UNN A 253 32.196 -23.574 14.808 1.00 0.05 H HETATM 1600 H UNN A 253 33.155 -20.808 14.061 1.00 0.08 H HETATM 1601 H UNN A 253 31.340 -21.802 16.070 1.00 0.19 H HETATM 1602 CB UNN A 253 31.232 -19.155 17.934 1.00 -0.02 C HETATM 1603 H UNN A 253 31.887 -18.317 17.651 1.00 0.03 H HETATM 1604 H UNN A 253 31.847 -20.021 18.218 1.00 0.03 H HETATM 1605 H UNN A 253 30.603 -18.857 18.785 1.00 0.03 H HETATM 1606 H UNN A 253 29.709 -18.659 16.505 1.00 0.08 H HETATM 1607 H UNN A 253 29.579 -21.107 17.971 1.00 0.19 H HETATM 1608 CB UNN A 253 28.679 -23.426 16.588 1.00 0.09 C HETATM 1609 OG1 UNN A 253 29.202 -23.471 15.260 1.00 -0.39 O HETATM 1610 H UNN A 253 29.817 -24.191 15.187 1.00 0.21 H HETATM 1611 CG2 UNN A 253 27.998 -24.744 16.946 1.00 -0.03 C HETATM 1612 H UNN A 253 28.729 -25.564 16.881 1.00 0.03 H HETATM 1613 H UNN A 253 27.172 -24.933 16.244 1.00 0.03 H HETATM 1614 H UNN A 253 27.602 -24.686 17.971 1.00 0.03 H HETATM 1615 H UNN A 253 29.503 -23.253 17.296 1.00 0.06 H HETATM 1616 H UNN A 253 27.358 -22.154 17.702 1.00 0.08 H HETATM 1617 H UNN A 253 26.667 -22.763 14.858 1.00 0.19 H HETATM 1618 CB UNN A 253 24.113 -21.311 14.254 1.00 0.02 C HETATM 1619 CG UNN A 253 23.820 -20.009 14.982 1.00 -0.04 C HETATM 1620 CD1 UNN A 253 24.848 -19.260 15.570 1.00 -0.06 C HETATM 1621 CE1 UNN A 253 24.575 -18.144 16.250 1.00 -0.07 C HETATM 1622 CZ UNN A 253 23.254 -17.701 16.383 1.00 -0.07 C HETATM 1623 CE2 UNN A 253 22.202 -18.430 15.827 1.00 -0.07 C HETATM 1624 CD2 UNN A 253 22.493 -19.580 15.139 1.00 -0.06 C HETATM 1625 H UNN A 253 21.687 -20.165 14.711 1.00 0.06 H HETATM 1626 H UNN A 253 21.177 -18.095 15.937 1.00 0.06 H HETATM 1627 H UNN A 253 23.046 -16.784 16.922 1.00 0.06 H HETATM 1628 H UNN A 253 25.381 -17.578 16.702 1.00 0.06 H HETATM 1629 H UNN A 253 25.876 -19.590 15.472 1.00 0.06 H HETATM 1630 H UNN A 253 23.320 -21.484 13.511 1.00 0.05 H HETATM 1631 H UNN A 253 25.081 -21.216 13.741 1.00 0.05 H HETATM 1632 H UNN A 253 24.378 -23.439 14.612 1.00 0.08 H HETATM 1633 H UNN A 253 22.888 -22.365 16.887 1.00 0.19 H HETATM 1634 CB UNN A 253 19.369 -23.637 15.404 1.00 0.04 C HETATM 1635 CG UNN A 253 19.142 -22.607 14.309 1.00 0.04 C HETATM 1636 OD1 UNN A 253 19.730 -21.487 14.363 1.00 -0.57 O HETATM 1637 OD2 UNN A 253 18.329 -22.896 13.397 1.00 -0.57 O HETATM 1638 H UNN A 253 18.474 -23.667 16.043 1.00 0.05 H HETATM 1639 H UNN A 253 19.516 -24.619 14.931 1.00 0.05 H HETATM 1640 H UNN A 253 20.698 -24.141 17.044 1.00 0.08 H HETATM 1641 H UNN A 253 19.882 -21.324 16.593 1.00 0.19 H HETATM 1642 H UNN A 253 20.203 -19.954 18.172 1.00 0.05 H HETATM 1643 H UNN A 253 20.020 -20.695 19.798 1.00 0.05 H HETATM 1644 H UNN A 253 22.501 -20.703 20.066 1.00 0.03 H HETATM 1645 H UNN A 253 22.672 -19.941 18.448 1.00 0.03 H HETATM 1646 H UNN A 253 21.730 -17.918 19.174 1.00 0.03 H HETATM 1647 H UNN A 253 21.043 -18.667 20.655 1.00 0.03 H HETATM 1648 H UNN A 253 22.943 -18.328 21.820 1.00 0.03 H HETATM 1649 H UNN A 253 23.965 -18.969 20.489 1.00 0.03 H HETATM 1650 H UNN A 253 23.755 -16.806 19.293 1.00 0.05 H HETATM 1651 H UNN A 253 22.747 -16.166 20.636 1.00 0.05 H HETATM 1652 H UNN A 253 24.815 -16.514 22.094 1.00 0.20 H HETATM 1653 S34 UNN A 253 25.895 -15.893 18.675 1.00 -0.29 S HETATM 1654 H UNN A 253 27.789 -15.220 20.643 1.00 0.24 H HETATM 1655 H UNN A 253 27.477 -13.707 23.034 1.00 0.06 H HETATM 1656 H UNN A 253 27.688 -14.247 25.477 1.00 0.07 H HETATM 1657 C03 UNN A 253 26.516 -16.023 27.730 1.00 0.04 C HETATM 1658 C02 UNN A 253 25.387 -15.290 27.315 1.00 -0.05 C HETATM 1659 C01 UNN A 253 24.467 -14.785 28.254 1.00 -0.03 C HETATM 1660 C06 UNN A 253 24.660 -15.020 29.619 1.00 0.09 C HETATM 1661 C05 UNN A 253 25.768 -15.741 30.033 1.00 0.02 C HETATM 1662 C04 UNN A 253 26.686 -16.238 29.084 1.00 0.15 C HETATM 1663 O10 UNN A 253 27.830 -17.001 29.552 1.00 -0.24 O HETATM 1664 H UNN A 253 25.930 -15.924 31.089 1.00 0.05 H HETATM 1665 O32 UNN A 253 23.765 -14.524 30.543 1.00 -0.33 O HETATM 1666 H UNN A 253 23.070 -14.059 30.091 1.00 0.25 H HETATM 1667 H UNN A 253 23.609 -14.214 27.919 1.00 0.05 H HETATM 1668 H UNN A 253 25.224 -15.112 26.258 1.00 0.07 H HETATM 1669 H UNN A 253 30.020 -18.439 30.203 1.00 0.02 H HETATM 1670 O31 UNN A 253 31.815 -19.439 28.666 1.00 -0.45 O HETATM 1671 H UNN A 253 31.447 -19.011 26.184 1.00 0.05 H HETATM 1672 H UNN A 253 29.520 -17.730 25.310 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1410 1411 1415 1672 CONECT 1411 1410 1412 1671 CONECT 1412 1411 1413 1670 CONECT 1413 1412 1414 1669 CONECT 1414 1413 1415 1663 CONECT 1415 1410 1414 1416 CONECT 1416 1415 1417 1657 CONECT 1417 1416 1418 1422 CONECT 1418 1417 1419 1656 CONECT 1419 1418 1420 1655 CONECT 1420 1419 1421 1427 CONECT 1421 1420 1422 1426 CONECT 1422 1417 1421 1423 CONECT 1423 1422 1424 1425 CONECT 1424 1423 CONECT 1425 1423 CONECT 1426 1421 CONECT 1427 1420 1428 1654 CONECT 1428 1427 1429 1653 CONECT 1429 1428 1430 1652 CONECT 1430 1429 1431 1650 1651 CONECT 1431 1430 1432 1648 1649 CONECT 1432 1431 1433 1646 1647 CONECT 1433 1432 1434 1644 1645 CONECT 1434 1433 1435 1642 1643 CONECT 1435 1434 1436 1437 CONECT 1436 1435 CONECT 1437 1435 1438 1641 CONECT 1438 1437 1439 1634 1640 CONECT 1439 1438 1440 1441 CONECT 1440 1439 CONECT 1441 1439 1442 1633 CONECT 1442 1441 1443 1618 1632 CONECT 1443 1442 1444 1445 CONECT 1444 1443 CONECT 1445 1443 1446 1617 CONECT 1446 1445 1447 1608 1616 CONECT 1447 1446 1448 1449 CONECT 1448 1447 CONECT 1449 1447 1450 1607 CONECT 1450 1449 1451 1602 1606 CONECT 1451 1450 1452 1453 CONECT 1452 1451 CONECT 1453 1451 1454 1601 CONECT 1454 1453 1455 1594 1600 CONECT 1455 1454 1456 1457 CONECT 1456 1455 CONECT 1457 1455 1458 1593 CONECT 1458 1457 1459 1586 1592 CONECT 1459 1458 1460 1461 CONECT 1460 1459 CONECT 1461 1459 1462 1585 CONECT 1462 1461 1463 1571 1584 CONECT 1463 1462 1464 1465 CONECT 1464 1463 CONECT 1465 1463 1466 1570 CONECT 1466 1465 1467 1560 1569 CONECT 1467 1466 1468 1469 CONECT 1468 1467 CONECT 1469 1467 1470 1559 CONECT 1470 1469 1471 1549 1558 CONECT 1471 1470 1472 1473 CONECT 1472 1471 CONECT 1473 1471 1474 1548 CONECT 1474 1473 1475 1529 1547 CONECT 1475 1474 1476 1477 CONECT 1476 1475 CONECT 1477 1475 1478 1528 CONECT 1478 1477 1479 1493 1527 CONECT 1479 1478 1480 1491 1492 CONECT 1480 1479 1481 1487 CONECT 1481 1480 1482 1490 CONECT 1482 1481 1483 1489 CONECT 1483 1482 1484 1485 CONECT 1484 1483 CONECT 1485 1483 1486 1487 CONECT 1486 1485 CONECT 1487 1480 1485 1488 CONECT 1488 1487 CONECT 1489 1482 CONECT 1490 1481 CONECT 1491 1479 CONECT 1492 1479 CONECT 1493 1478 1494 1495 CONECT 1494 1493 CONECT 1495 1493 1496 1526 CONECT 1496 1495 1497 1521 1525 CONECT 1497 1496 1498 1499 CONECT 1498 1497 CONECT 1499 1497 1500 1520 CONECT 1500 1499 1501 1506 1519 CONECT 1501 1500 1502 1503 CONECT 1502 1501 CONECT 1503 1501 1504 1505 CONECT 1504 1503 CONECT 1505 1503 CONECT 1506 1500 1507 1517 1518 CONECT 1507 1506 1508 1512 1516 CONECT 1508 1507 1509 1510 1511 CONECT 1509 1508 CONECT 1510 1508 CONECT 1511 1508 CONECT 1512 1507 1513 1514 1515 CONECT 1513 1512 CONECT 1514 1512 CONECT 1515 1512 CONECT 1516 1507 CONECT 1517 1506 CONECT 1518 1506 CONECT 1519 1500 CONECT 1520 1499 CONECT 1521 1496 1522 1523 1524 CONECT 1522 1521 CONECT 1523 1521 CONECT 1524 1521 CONECT 1525 1496 CONECT 1526 1495 CONECT 1527 1478 CONECT 1528 1477 CONECT 1529 1474 1530 1545 1546 CONECT 1530 1529 1531 1534 CONECT 1531 1530 1532 1544 CONECT 1532 1531 1533 1543 CONECT 1533 1532 1534 1538 CONECT 1534 1530 1533 1535 CONECT 1535 1534 1536 1542 CONECT 1536 1535 1537 1541 CONECT 1537 1536 1538 1540 CONECT 1538 1533 1537 1539 CONECT 1539 1538 CONECT 1540 1537 CONECT 1541 1536 CONECT 1542 1535 CONECT 1543 1532 CONECT 1544 1531 CONECT 1545 1529 CONECT 1546 1529 CONECT 1547 1474 CONECT 1548 1473 CONECT 1549 1470 1550 1556 1557 CONECT 1550 1549 1551 1554 1555 CONECT 1551 1550 1552 1553 CONECT 1552 1551 CONECT 1553 1551 CONECT 1554 1550 CONECT 1555 1550 CONECT 1556 1549 CONECT 1557 1549 CONECT 1558 1470 CONECT 1559 1469 CONECT 1560 1466 1561 1567 1568 CONECT 1561 1560 1562 1565 1566 CONECT 1562 1561 1563 1564 CONECT 1563 1562 CONECT 1564 1562 CONECT 1565 1561 CONECT 1566 1561 CONECT 1567 1560 CONECT 1568 1560 CONECT 1569 1466 CONECT 1570 1465 CONECT 1571 1462 1572 1582 1583 CONECT 1572 1571 1573 1577 1581 CONECT 1573 1572 1574 1575 1576 CONECT 1574 1573 CONECT 1575 1573 CONECT 1576 1573 CONECT 1577 1572 1578 1579 1580 CONECT 1578 1577 CONECT 1579 1577 CONECT 1580 1577 CONECT 1581 1572 CONECT 1582 1571 CONECT 1583 1571 CONECT 1584 1462 CONECT 1585 1461 CONECT 1586 1458 1587 1590 1591 CONECT 1587 1586 1588 1589 CONECT 1588 1587 CONECT 1589 1587 CONECT 1590 1586 CONECT 1591 1586 CONECT 1592 1458 CONECT 1593 1457 CONECT 1594 1454 1595 1598 1599 CONECT 1595 1594 1596 1597 CONECT 1596 1595 CONECT 1597 1595 CONECT 1598 1594 CONECT 1599 1594 CONECT 1600 1454 CONECT 1601 1453 CONECT 1602 1450 1603 1604 1605 CONECT 1603 1602 CONECT 1604 1602 CONECT 1605 1602 CONECT 1606 1450 CONECT 1607 1449 CONECT 1608 1446 1609 1611 1615 CONECT 1609 1608 1610 CONECT 1610 1609 CONECT 1611 1608 1612 1613 1614 CONECT 1612 1611 CONECT 1613 1611 CONECT 1614 1611 CONECT 1615 1608 CONECT 1616 1446 CONECT 1617 1445 CONECT 1618 1442 1619 1630 1631 CONECT 1619 1618 1620 1624 CONECT 1620 1619 1621 1629 CONECT 1621 1620 1622 1628 CONECT 1622 1621 1623 1627 CONECT 1623 1622 1624 1626 CONECT 1624 1619 1623 1625 CONECT 1625 1624 CONECT 1626 1623 CONECT 1627 1622 CONECT 1628 1621 CONECT 1629 1620 CONECT 1630 1618 CONECT 1631 1618 CONECT 1632 1442 CONECT 1633 1441 CONECT 1634 1438 1635 1638 1639 CONECT 1635 1634 1636 1637 CONECT 1636 1635 CONECT 1637 1635 CONECT 1638 1634 CONECT 1639 1634 CONECT 1640 1438 CONECT 1641 1437 CONECT 1642 1434 CONECT 1643 1434 CONECT 1644 1433 CONECT 1645 1433 CONECT 1646 1432 CONECT 1647 1432 CONECT 1648 1431 CONECT 1649 1431 CONECT 1650 1430 CONECT 1651 1430 CONECT 1652 1429 CONECT 1653 1428 CONECT 1654 1427 CONECT 1655 1419 CONECT 1656 1418 CONECT 1657 1416 1658 1662 CONECT 1658 1657 1659 1668 CONECT 1659 1658 1660 1667 CONECT 1660 1659 1661 1665 CONECT 1661 1660 1662 1664 CONECT 1662 1657 1661 1663 CONECT 1663 1414 1662 CONECT 1664 1661 CONECT 1665 1660 1666 CONECT 1666 1665 CONECT 1667 1659 CONECT 1668 1658 CONECT 1669 1413 CONECT 1670 1412 CONECT 1671 1411 CONECT 1672 1410 MASTER 0 0 0 0 0 0 0 0 1671 1 267 10 END
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1a37
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6b5m
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6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
4nb3
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Replication protein A 70 kDa DNA-binding subunit
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
1.35(Å)
Affinity (Kd/Ki/IC50)
Kd=0.022uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 2455-2461
Ligand Properties
Formula
C
1
0
0
H
1
1
9
Cl
2
N
1
7
O
3
0
S
Molecular Weight
2142.080
Exact Mass
2139.740
No. of atoms
269
No. of bonds
276
Polar Surface Area
787.8
LOGP Value
11.52 (
Computed with XLOGP3
)
9.03 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 29
No. of Rotatable Bonds: 69
No. of Nitrogen and Oxygen Atoms: 47
No. of Rings: 8
Canonical SMILES
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)C)Cc1ccc(c(c1)Cl)Cl)Cc1c[nH]c2c1cccc2)CCC(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCNC(=S)Nc1ccc(c(c1)C(=O)O)c1c2ccc(=O)cc2oc2c1ccc(c2)O)CC(=O)O)Cc1ccccc1)C)CC(=O)O)CC(=O)O)C
InChI String
InChI=1S/C100H119Cl2N17O30S/c1-47(2)34-68(86(103)134)112-87(135)49(5)106-91(139)71(38-53-21-28-63(101)64(102)36-53)116-93(141)72(39-54-46-105-65-19-14-13-18-58(54)65)117-90(138)67(30-32-80(126)127)110-89(137)66(29-31-79(124)125)111-92(140)69(35-48(3)4)114-96(144)75(45-83(132)133)118-95(143)74(44-82(130)131)113-88(136)50(6)107-98(146)85(51(7)120)119-97(145)70(37-52-16-10-8-11-17-52)115-94(142)73(43-81(128)129)109-78(123)20-12-9-15-33-104-100(150)108-55-22-25-59(62(40-55)99(147)148)84-60-26-23-56(121)41-76(60)149-77-42-57(122)24-27-61(77)84/h8,10-11,13-14,16-19,21-28,36,40-42,46-51,66-75,85,105,120-121H,9,12,15,20,29-35,37-39,43-45H2,1-7H3,(H2,103,134)(H,106,139)(H,107,146)(H,109,123)(H,110,137)(H,111,140)(H,112,135)(H,113,136)(H,114,144)(H,115,142)(H,116,141)(H,117,138)(H,118,143)(H,119,145)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)(H,147,148)(H2,104,108,150)/t49-,50-,51+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,85-/m0/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):
Q8WXE1
P27694
Entrez Gene ID
NCBI Entrez Gene ID:
84126
6117
ASD
Information of known allosteric effects of PDB entries
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